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Mpro-x0464_0_apo_jiDwcza.pdb
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Mpro-x0464_0_apo_jiDwcza.pdb
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HEADER ---- 12-MAR-20 xxxx
TITLE ---
COMPND ---
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : REFMAC 5.8.0238
REMARK 3 AUTHORS : MURSHUDOV,SKUBAK,LEBEDEV,PANNU,
REMARK 3 STEINER,NICHOLLS,WINN,LONG,VAGIN
REMARK 3
REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD
REMARK 3
REMARK 3 DATA USED IN REFINEMENT.
REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.77
REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 47.74
REMARK 3 DATA CUTOFF (SIGMA(F)) : NONE
REMARK 3 COMPLETENESS FOR RANGE (%) : 97.91
REMARK 3 NUMBER OF REFLECTIONS : 23411
REMARK 3
REMARK 3 FIT TO DATA USED IN REFINEMENT.
REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT
REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM
REMARK 3 R VALUE (WORKING + TEST SET) : 0.18614
REMARK 3 R VALUE (WORKING SET) : 0.18320
REMARK 3 FREE R VALUE : 0.24237
REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.0
REMARK 3 FREE R VALUE TEST SET COUNT : 1232
REMARK 3
REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN.
REMARK 3 TOTAL NUMBER OF BINS USED : 20
REMARK 3 BIN RESOLUTION RANGE HIGH : 1.767
REMARK 3 BIN RESOLUTION RANGE LOW : 1.813
REMARK 3 REFLECTION IN BIN (WORKING SET) : 1471
REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 83.60
REMARK 3 BIN R VALUE (WORKING SET) : 0.380
REMARK 3 BIN FREE R VALUE SET COUNT : 68
REMARK 3 BIN FREE R VALUE : 0.401
REMARK 3
REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.
REMARK 3 ALL ATOMS : 2831
REMARK 3
REMARK 3 B VALUES.
REMARK 3 FROM WILSON PLOT (A**2) : NULL
REMARK 3 MEAN B VALUE (OVERALL, A**2) : 27.165
REMARK 3 OVERALL ANISOTROPIC B VALUE.
REMARK 3 B11 (A**2) : 1.92
REMARK 3 B22 (A**2) : -0.37
REMARK 3 B33 (A**2) : -1.12
REMARK 3 B12 (A**2) : -0.00
REMARK 3 B13 (A**2) : -0.70
REMARK 3 B23 (A**2) : -0.00
REMARK 3
REMARK 3 ESTIMATED OVERALL COORDINATE ERROR.
REMARK 3 ESU BASED ON R VALUE (A): 0.160
REMARK 3 ESU BASED ON FREE R VALUE (A): 0.153
REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.156
REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 5.574
REMARK 3
REMARK 3 CORRELATION COEFFICIENTS.
REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.968
REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.940
REMARK 3
REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT
REMARK 3 BOND LENGTHS REFINED ATOMS (A): 2630 ; 0.008 ; 0.013
REMARK 3 BOND LENGTHS OTHERS (A): 2293 ; 0.001 ; 0.017
REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 3474 ; 1.482 ; 1.653
REMARK 3 BOND ANGLES OTHERS (DEGREES): 5331 ; 1.349 ; 1.593
REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 327 ; 7.782 ; 5.000
REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 125 ;32.773 ;23.520
REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 403 ;14.575 ;15.000
REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 11 ;11.144 ;15.000
REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 329 ; 0.066 ; 0.200
REMARK 3 GENERAL PLANES REFINED ATOMS (A): 2918 ; 0.006 ; 0.020
REMARK 3 GENERAL PLANES OTHERS (A): 535 ; 0.001 ; 0.020
REMARK 3
REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT
REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 1315 ; 1.742 ; 2.706
REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): 1306 ; 1.741 ; 2.701
REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1613 ; 2.790 ; 4.046
REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2) : 1614 ; 2.789 ; 4.049
REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 1315 ; 2.294 ; 2.963
REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2) : 1316 ; 2.293 ; 2.963
REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2) : 1862 ; 3.720 ; 4.329
REMARK 3 LONG RANGE B REFINED ATOMS (A**2) : 3003 ; 6.775 ;34.119
REMARK 3 LONG RANGE B OTHER ATOMS (A**2) : 2891 ; 6.412 ;33.159
REMARK 3
REMARK 3 NCS RESTRAINTS STATISTICS
REMARK 3 NUMBER OF NCS GROUPS : NULL
REMARK 3
REMARK 3 TWIN DETAILS
REMARK 3 NUMBER OF TWIN DOMAINS : NULL
REMARK 3
REMARK 3
REMARK 3 TLS DETAILS
REMARK 3 NUMBER OF TLS GROUPS : NULL
REMARK 3
REMARK 3
REMARK 3 BULK SOLVENT MODELLING.
REMARK 3 METHOD USED : MASK
REMARK 3 PARAMETERS FOR MASK CALCULATION
REMARK 3 VDW PROBE RADIUS : 1.20
REMARK 3 ION PROBE RADIUS : 0.80
REMARK 3 SHRINKAGE RADIUS : 0.80
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS:
REMARK 3 HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
REMARK 3 U VALUES : REFINED INDIVIDUALLY
REMARK 3
CRYST1 113.058 52.901 44.343 90.00 102.72 90.00 C 1 2 1
SCALE1 0.008845 0.000000 0.001997 0.00000
SCALE2 -0.000000 0.018903 0.000000 0.00000
SCALE3 0.000000 -0.000000 0.023119 0.00000
REMARK 350
REMARK 350 BIOMOLECULE: 1
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC
REMARK 350 SOFTWARE USED: PISA v1.52 [20/10/2014]
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A
REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000
REMARK 350 BIOMT1 2 -1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT2 2 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 0.00000
ATOM 1 N SER A 1 -2.499 4.065 -17.118 1.00 35.31 N
ATOM 2 CA SER A 1 -2.144 5.371 -16.519 1.00 36.28 C
ATOM 3 C SER A 1 -2.480 5.367 -15.023 1.00 35.11 C
ATOM 4 O SER A 1 -3.128 4.409 -14.533 1.00 31.78 O
ATOM 5 CB SER A 1 -2.830 6.517 -17.228 1.00 39.31 C
ATOM 6 OG SER A 1 -2.192 7.760 -16.950 1.00 47.81 O
ATOM 7 N GLY A 2 -2.088 6.439 -14.340 1.00 32.52 N
ATOM 8 CA GLY A 2 -2.230 6.572 -12.888 1.00 31.21 C
ATOM 9 C GLY A 2 -0.956 6.128 -12.214 1.00 31.32 C
ATOM 10 O GLY A 2 -0.253 5.221 -12.761 1.00 34.15 O
ATOM 11 N PHE A 3 -0.637 6.777 -11.099 1.00 29.02 N
ATOM 12 CA PHE A 3 0.567 6.487 -10.288 1.00 28.66 C
ATOM 13 C PHE A 3 0.115 6.411 -8.834 1.00 27.24 C
ATOM 14 O PHE A 3 -0.557 7.353 -8.389 1.00 27.19 O
ATOM 15 CB PHE A 3 1.671 7.516 -10.544 1.00 27.63 C
ATOM 16 CG PHE A 3 3.052 6.967 -10.302 1.00 26.98 C
ATOM 17 CD1 PHE A 3 3.601 6.054 -11.180 1.00 26.35 C
ATOM 18 CD2 PHE A 3 3.763 7.317 -9.165 1.00 28.27 C
ATOM 19 CE1 PHE A 3 4.861 5.531 -10.949 1.00 28.79 C
ATOM 20 CE2 PHE A 3 5.028 6.795 -8.935 1.00 29.58 C
ATOM 21 CZ PHE A 3 5.574 5.897 -9.826 1.00 28.44 C
ATOM 22 N ARG A 4 0.417 5.289 -8.173 1.00 27.76 N
ATOM 23 CA ARG A 4 -0.037 4.976 -6.791 1.00 26.72 C
ATOM 24 C ARG A 4 1.172 4.606 -5.930 1.00 27.18 C
ATOM 25 O ARG A 4 2.114 4.010 -6.463 1.00 26.24 O
ATOM 26 CB ARG A 4 -1.058 3.837 -6.829 1.00 25.63 C
ATOM 27 CG ARG A 4 -2.477 4.307 -7.091 1.00 25.35 C
ATOM 28 CD ARG A 4 -3.045 4.937 -5.828 1.00 26.26 C
ATOM 29 NE ARG A 4 -4.428 5.358 -6.003 1.00 27.93 N
ATOM 30 CZ ARG A 4 -5.221 5.789 -5.025 1.00 29.39 C
ATOM 31 NH1 ARG A 4 -4.777 5.813 -3.782 1.00 28.79 N1+
ATOM 32 NH2 ARG A 4 -6.461 6.180 -5.284 1.00 28.76 N
ATOM 33 N LYS A 5 1.123 4.930 -4.635 1.00 28.58 N
ATOM 34 CA LYS A 5 2.100 4.432 -3.643 1.00 29.32 C
ATOM 35 C LYS A 5 1.832 2.934 -3.463 1.00 29.67 C
ATOM 36 O LYS A 5 0.956 2.544 -2.673 1.00 34.13 O
ATOM 37 CB LYS A 5 1.998 5.208 -2.335 1.00 30.58 C
ATOM 38 CG LYS A 5 3.040 4.824 -1.298 1.00 32.46 C
ATOM 39 CD LYS A 5 4.434 5.299 -1.634 1.00 33.50 C
ATOM 40 CE LYS A 5 4.594 6.807 -1.578 1.00 34.64 C
ATOM 41 NZ LYS A 5 4.001 7.414 -0.363 1.00 33.79 N1+
ATOM 42 N MET A 6 2.581 2.113 -4.173 1.00 28.67 N
ATOM 43 CA MET A 6 2.234 0.690 -4.363 1.00 29.20 C
ATOM 44 C MET A 6 3.189 -0.143 -3.531 1.00 25.35 C
ATOM 45 O MET A 6 4.394 0.075 -3.667 1.00 22.59 O
ATOM 46 CB MET A 6 2.407 0.349 -5.837 1.00 31.07 C
ATOM 47 CG MET A 6 1.725 -0.901 -6.230 1.00 34.80 C
ATOM 48 SD MET A 6 1.857 -1.057 -8.008 1.00 40.71 S
ATOM 49 CE MET A 6 0.313 -0.308 -8.511 1.00 37.66 C
ATOM 50 N ALA A 7 2.672 -1.065 -2.722 1.00 24.59 N
ATOM 51 CA ALA A 7 3.508 -2.031 -1.981 1.00 24.79 C
ATOM 52 C ALA A 7 3.689 -3.289 -2.831 1.00 24.68 C
ATOM 53 O ALA A 7 2.842 -3.547 -3.689 1.00 22.97 O
ATOM 54 CB ALA A 7 2.894 -2.345 -0.639 1.00 23.94 C
ATOM 55 N PHE A 8 4.763 -4.042 -2.608 1.00 25.07 N
ATOM 56 CA PHE A 8 4.885 -5.408 -3.164 1.00 25.01 C
ATOM 57 C PHE A 8 3.728 -6.251 -2.631 1.00 24.60 C
ATOM 58 O PHE A 8 3.207 -6.034 -1.526 1.00 22.95 O
ATOM 59 CB PHE A 8 6.251 -6.020 -2.861 1.00 25.81 C
ATOM 60 CG PHE A 8 7.383 -5.343 -3.580 1.00 26.81 C
ATOM 61 CD1 PHE A 8 7.656 -5.633 -4.902 1.00 29.39 C
ATOM 62 CD2 PHE A 8 8.150 -4.384 -2.945 1.00 29.68 C
ATOM 63 CE1 PHE A 8 8.684 -4.993 -5.578 1.00 31.54 C
ATOM 64 CE2 PHE A 8 9.183 -3.751 -3.616 1.00 32.70 C
ATOM 65 CZ PHE A 8 9.446 -4.051 -4.935 1.00 32.69 C
ATOM 66 N PRO A 9 3.279 -7.249 -3.421 1.00 23.95 N
ATOM 67 CA PRO A 9 2.284 -8.203 -2.940 1.00 24.08 C
ATOM 68 C PRO A 9 2.930 -8.898 -1.734 1.00 21.72 C
ATOM 69 O PRO A 9 4.116 -9.149 -1.773 1.00 23.07 O
ATOM 70 CB PRO A 9 2.033 -9.135 -4.135 1.00 23.96 C
ATOM 71 CG PRO A 9 2.589 -8.368 -5.324 1.00 25.81 C
ATOM 72 CD PRO A 9 3.754 -7.570 -4.777 1.00 24.49 C
ATOM 73 N SER A 10 2.155 -9.139 -0.690 1.00 20.86 N
ATOM 74 CA SER A 10 2.674 -9.515 0.649 1.00 22.19 C
ATOM 75 C SER A 10 2.607 -11.027 0.915 1.00 21.69 C
ATOM 76 O SER A 10 3.198 -11.458 1.923 1.00 20.34 O
ATOM 77 CB SER A 10 1.969 -8.736 1.712 1.00 21.84 C
ATOM 78 OG SER A 10 0.578 -8.994 1.735 1.00 23.91 O
ATOM 79 N GLY A 11 1.965 -11.811 0.042 1.00 20.98 N
ATOM 80 CA GLY A 11 1.729 -13.248 0.266 1.00 20.17 C
ATOM 81 C GLY A 11 2.982 -13.979 0.717 1.00 20.02 C
ATOM 82 O GLY A 11 2.911 -14.744 1.688 1.00 21.50 O
ATOM 83 N LYS A 12 4.103 -13.788 0.038 1.00 19.50 N
ATOM 84 CA LYS A 12 5.321 -14.585 0.314 1.00 21.93 C
ATOM 85 C LYS A 12 5.822 -14.296 1.732 1.00 20.04 C
ATOM 86 O LYS A 12 6.511 -15.160 2.311 1.00 20.42 O
ATOM 87 CB LYS A 12 6.416 -14.256 -0.698 1.00 23.81 C
ATOM 88 CG LYS A 12 6.202 -14.852 -2.079 1.00 26.95 C
ATOM 89 CD LYS A 12 7.333 -14.515 -3.010 1.00 30.27 C
ATOM 90 CE LYS A 12 6.987 -14.807 -4.454 1.00 35.27 C
ATOM 91 NZ LYS A 12 6.446 -16.177 -4.606 1.00 37.14 N1+
ATOM 92 N VAL A 13 5.561 -13.088 2.227 1.00 19.88 N
ATOM 93 CA VAL A 13 6.010 -12.654 3.573 1.00 19.33 C
ATOM 94 C VAL A 13 4.946 -13.076 4.578 1.00 18.73 C
ATOM 95 O VAL A 13 5.340 -13.570 5.655 1.00 18.47 O
ATOM 96 CB VAL A 13 6.364 -11.161 3.628 1.00 18.79 C
ATOM 97 CG1 VAL A 13 6.918 -10.772 4.985 1.00 18.78 C
ATOM 98 CG2 VAL A 13 7.370 -10.818 2.538 1.00 18.79 C
ATOM 99 N GLU A 14 3.665 -12.960 4.226 1.00 18.30 N
ATOM 100 CA GLU A 14 2.565 -13.432 5.093 1.00 19.37 C
ATOM 101 C GLU A 14 2.895 -14.853 5.562 1.00 20.55 C
ATOM 102 O GLU A 14 2.698 -15.134 6.746 1.00 20.60 O
ATOM 103 CB GLU A 14 1.222 -13.397 4.365 1.00 19.85 C
ATOM 104 CG GLU A 14 0.722 -11.994 4.131 1.00 20.13 C
ATOM 105 CD GLU A 14 -0.477 -11.904 3.214 1.00 20.66 C
ATOM 106 OE1 GLU A 14 -1.476 -12.572 3.486 1.00 22.37 O
ATOM 107 OE2 GLU A 14 -0.408 -11.141 2.244 1.00 22.00 O1-
ATOM 108 N GLY A 15 3.408 -15.699 4.657 1.00 20.25 N
ATOM 109 CA GLY A 15 3.694 -17.116 4.927 1.00 21.44 C
ATOM 110 C GLY A 15 4.857 -17.321 5.882 1.00 20.62 C
ATOM 111 O GLY A 15 5.080 -18.466 6.258 1.00 21.80 O
ATOM 112 N CYS A 16 5.587 -16.267 6.240 1.00 21.23 N
ATOM 113 CA CYS A 16 6.772 -16.320 7.131 1.00 20.90 C
ATOM 114 C CYS A 16 6.482 -15.691 8.494 1.00 21.25 C
ATOM 115 O CYS A 16 7.365 -15.724 9.359 1.00 21.16 O
ATOM 116 CB CYS A 16 7.953 -15.615 6.487 1.00 22.03 C
ATOM 117 SG CYS A 16 8.383 -16.322 4.880 1.00 23.08 S
ATOM 118 N MET A 17 5.296 -15.128 8.712 1.00 21.27 N
ATOM 119 CA MET A 17 5.049 -14.414 9.983 1.00 20.57 C
ATOM 120 C MET A 17 4.571 -15.415 11.034 1.00 20.41 C
ATOM 121 O MET A 17 3.660 -16.258 10.755 1.00 18.84 O
ATOM 122 CB MET A 17 4.047 -13.270 9.825 1.00 21.64 C
ATOM 123 CG MET A 17 4.471 -12.228 8.818 1.00 20.66 C
ATOM 124 SD MET A 17 6.175 -11.639 8.985 1.00 21.60 S
ATOM 125 CE MET A 17 6.118 -11.070 10.683 1.00 26.64 C
ATOM 126 N VAL A 18 5.228 -15.365 12.184 1.00 20.41 N
ATOM 127 CA VAL A 18 4.849 -16.164 13.384 1.00 21.23 C
ATOM 128 C VAL A 18 4.747 -15.241 14.595 1.00 21.06 C
ATOM 129 O VAL A 18 5.205 -14.067 14.542 1.00 20.33 O
ATOM 130 CB VAL A 18 5.859 -17.301 13.621 1.00 21.34 C
ATOM 131 CG1 VAL A 18 5.890 -18.262 12.441 1.00 21.14 C
ATOM 132 CG2 VAL A 18 7.233 -16.747 13.915 1.00 21.64 C
ATOM 133 N GLN A 19 4.186 -15.790 15.662 1.00 21.79 N
ATOM 134 CA GLN A 19 4.103 -15.143 16.985 1.00 24.00 C
ATOM 135 C GLN A 19 5.245 -15.677 17.852 1.00 23.30 C
ATOM 136 O GLN A 19 5.408 -16.911 17.947 1.00 22.91 O
ATOM 137 CB GLN A 19 2.721 -15.415 17.572 1.00 25.32 C
ATOM 138 CG GLN A 19 2.482 -14.712 18.886 1.00 27.81 C
ATOM 139 CD GLN A 19 1.169 -15.147 19.476 1.00 30.40 C
ATOM 140 NE2 GLN A 19 0.250 -14.209 19.591 1.00 33.42 N
ATOM 141 OE1 GLN A 19 0.992 -16.297 19.859 1.00 35.74 O
ATOM 142 N VAL A 20 6.026 -14.777 18.443 1.00 21.91 N
ATOM 143 CA VAL A 20 7.038 -15.127 19.472 1.00 20.89 C
ATOM 144 C VAL A 20 6.602 -14.512 20.806 1.00 21.24 C
ATOM 145 O VAL A 20 6.335 -13.304 20.870 1.00 19.51 O
ATOM 146 CB VAL A 20 8.459 -14.690 19.076 1.00 20.72 C
ATOM 147 CG1 VAL A 20 9.472 -15.150 20.099 1.00 21.02 C
ATOM 148 CG2 VAL A 20 8.842 -15.205 17.702 1.00 21.95 C
ATOM 149 N THR A 21 6.545 -15.342 21.844 1.00 22.88 N
ATOM 150 CA THR A 21 6.201 -14.937 23.225 1.00 23.76 C
ATOM 151 C THR A 21 7.373 -15.321 24.121 1.00 24.08 C
ATOM 152 O THR A 21 7.752 -16.492 24.130 1.00 24.86 O
ATOM 153 CB THR A 21 4.859 -15.541 23.653 1.00 22.90 C
ATOM 154 CG2 THR A 21 4.439 -15.122 25.046 1.00 25.02 C
ATOM 155 OG1 THR A 21 3.866 -15.104 22.728 1.00 22.34 O
ATOM 156 N CYS A 22 7.956 -14.354 24.813 1.00 28.01 N
ATOM 157 CA CYS A 22 8.879 -14.609 25.941 1.00 31.76 C
ATOM 158 C CYS A 22 8.234 -14.014 27.195 1.00 32.33 C
ATOM 159 O CYS A 22 7.943 -12.804 27.212 1.00 30.77 O
ATOM 160 CB CYS A 22 10.280 -14.087 25.647 1.00 32.84 C
ATOM 161 SG CYS A 22 11.543 -14.949 26.607 1.00 46.13 S
ATOM 162 N GLY A 23 7.924 -14.864 28.174 1.00 35.60 N
ATOM 163 CA GLY A 23 7.157 -14.461 29.366 1.00 35.98 C
ATOM 164 C GLY A 23 5.847 -13.816 28.970 1.00 36.59 C
ATOM 165 O GLY A 23 4.989 -14.510 28.410 1.00 38.13 O
ATOM 166 N THR A 24 5.698 -12.519 29.215 1.00 38.26 N
ATOM 167 CA THR A 24 4.419 -11.795 29.022 1.00 39.49 C
ATOM 168 C THR A 24 4.487 -10.926 27.771 1.00 37.35 C
ATOM 169 O THR A 24 3.445 -10.361 27.427 1.00 37.18 O
ATOM 170 CB THR A 24 4.094 -10.965 30.266 1.00 45.24 C
ATOM 171 CG2 THR A 24 3.920 -11.849 31.480 1.00 48.33 C
ATOM 172 OG1 THR A 24 5.164 -10.042 30.488 1.00 44.87 O
ATOM 173 N THR A 25 5.656 -10.835 27.123 1.00 34.33 N
ATOM 174 CA THR A 25 5.858 -10.045 25.878 1.00 31.78 C
ATOM 175 C THR A 25 5.595 -10.938 24.669 1.00 28.16 C
ATOM 176 O THR A 25 6.289 -11.959 24.535 1.00 26.73 O
ATOM 177 CB THR A 25 7.280 -9.493 25.772 1.00 32.90 C
ATOM 178 CG2 THR A 25 7.468 -8.615 24.556 1.00 32.57 C
ATOM 179 OG1 THR A 25 7.561 -8.766 26.965 1.00 33.36 O
ATOM 180 N THR A 26 4.618 -10.575 23.837 1.00 31.00 N
ATOM 181 CA THR A 26 4.373 -11.188 22.502 1.00 30.10 C
ATOM 182 C THR A 26 4.730 -10.165 21.417 1.00 28.87 C
ATOM 183 O THR A 26 4.322 -8.991 21.531 1.00 31.28 O
ATOM 184 CB THR A 26 2.937 -11.702 22.354 1.00 30.43 C
ATOM 185 CG2 THR A 26 2.646 -12.233 20.970 1.00 31.20 C
ATOM 186 OG1 THR A 26 2.724 -12.765 23.285 1.00 33.78 O
ATOM 187 N LEU A 27 5.506 -10.585 20.422 1.00 25.24 N
ATOM 188 CA LEU A 27 5.759 -9.787 19.197 1.00 22.45 C
ATOM 189 C LEU A 27 5.924 -10.754 18.035 1.00 21.93 C
ATOM 190 O LEU A 27 5.645 -11.962 18.214 1.00 20.05 O
ATOM 191 CB LEU A 27 6.964 -8.859 19.386 1.00 21.65 C
ATOM 192 CG LEU A 27 8.201 -9.448 20.050 1.00 20.94 C
ATOM 193 CD1 LEU A 27 8.710 -10.650 19.293 1.00 22.01 C
ATOM 194 CD2 LEU A 27 9.302 -8.408 20.153 1.00 20.84 C
ATOM 195 N ASN A 28 6.332 -10.231 16.880 1.00 21.08 N
ATOM 196 CA ASN A 28 6.312 -10.978 15.606 1.00 20.25 C
ATOM 197 C ASN A 28 7.709 -11.533 15.347 1.00 18.43 C
ATOM 198 O ASN A 28 8.701 -10.885 15.719 1.00 18.77 O
ATOM 199 CB ASN A 28 5.802 -10.113 14.450 1.00 20.98 C
ATOM 200 CG ASN A 28 4.452 -9.496 14.746 1.00 22.63 C
ATOM 201 ND2 ASN A 28 4.451 -8.233 15.149 1.00 22.90 N
ATOM 202 OD1 ASN A 28 3.423 -10.167 14.647 1.00 24.30 O
ATOM 203 N GLY A 29 7.758 -12.685 14.707 1.00 17.45 N
ATOM 204 CA GLY A 29 9.011 -13.297 14.243 1.00 17.08 C
ATOM 205 C GLY A 29 8.924 -13.627 12.769 1.00 17.13 C
ATOM 206 O GLY A 29 7.807 -13.758 12.222 1.00 16.82 O
ATOM 207 N LEU A 30 10.081 -13.734 12.132 1.00 16.82 N
ATOM 208 CA LEU A 30 10.162 -14.103 10.710 1.00 18.37 C
ATOM 209 C LEU A 30 10.701 -15.529 10.627 1.00 17.15 C
ATOM 210 O LEU A 30 11.838 -15.749 11.063 1.00 17.65 O
ATOM 211 CB LEU A 30 11.078 -13.124 9.989 1.00 18.06 C
ATOM 212 CG LEU A 30 11.130 -13.305 8.474 1.00 18.10 C
ATOM 213 CD1 LEU A 30 9.783 -13.008 7.862 1.00 19.05 C
ATOM 214 CD2 LEU A 30 12.203 -12.419 7.860 1.00 18.63 C
ATOM 215 N TRP A 31 9.888 -16.448 10.131 1.00 17.20 N
ATOM 216 CA TRP A 31 10.248 -17.889 9.988 1.00 18.28 C
ATOM 217 C TRP A 31 10.735 -18.186 8.565 1.00 18.37 C
ATOM 218 O TRP A 31 9.902 -18.245 7.607 1.00 20.91 O
ATOM 219 CB TRP A 31 9.049 -18.739 10.372 1.00 18.13 C
ATOM 220 CG TRP A 31 9.305 -20.209 10.412 1.00 19.86 C
ATOM 221 CD1 TRP A 31 10.485 -20.878 10.555 1.00 20.60 C
ATOM 222 CD2 TRP A 31 8.278 -21.203 10.368 1.00 21.89 C
ATOM 223 CE2 TRP A 31 8.909 -22.460 10.501 1.00 20.57 C
ATOM 224 CE3 TRP A 31 6.884 -21.136 10.239 1.00 23.72 C
ATOM 225 NE1 TRP A 31 10.256 -22.233 10.588 1.00 21.35 N
ATOM 226 CZ2 TRP A 31 8.190 -23.646 10.454 1.00 20.80 C
ATOM 227 CZ3 TRP A 31 6.177 -22.315 10.211 1.00 24.39 C
ATOM 228 CH2 TRP A 31 6.829 -23.547 10.315 1.00 22.19 C
ATOM 229 N LEU A 32 12.044 -18.359 8.429 1.00 19.09 N
ATOM 230 CA LEU A 32 12.718 -18.702 7.146 1.00 20.61 C
ATOM 231 C LEU A 32 13.570 -19.946 7.367 1.00 20.78 C
ATOM 232 O LEU A 32 14.449 -19.898 8.264 1.00 20.58 O
ATOM 233 CB LEU A 32 13.616 -17.545 6.703 1.00 20.78 C
ATOM 234 CG LEU A 32 12.903 -16.218 6.455 1.00 21.26 C
ATOM 235 CD1 LEU A 32 13.926 -15.138 6.188 1.00 21.25 C
ATOM 236 CD2 LEU A 32 11.924 -16.314 5.305 1.00 21.12 C
ATOM 237 N ASP A 33 13.311 -20.996 6.583 1.00 22.06 N
ATOM 238 CA ASP A 33 13.936 -22.315 6.797 1.00 23.72 C
ATOM 239 C ASP A 33 13.579 -22.707 8.238 1.00 22.41 C
ATOM 240 O ASP A 33 12.391 -22.613 8.599 1.00 21.80 O
ATOM 241 CB ASP A 33 15.432 -22.228 6.464 1.00 25.31 C
ATOM 242 CG ASP A 33 15.714 -21.807 5.026 1.00 27.10 C
ATOM 243 OD1 ASP A 33 14.947 -22.208 4.113 1.00 26.35 O
ATOM 244 OD2 ASP A 33 16.694 -21.067 4.824 1.00 29.56 O1-
ATOM 245 N ASP A 34 14.559 -23.085 9.050 1.00 22.54 N
ATOM 246 CA ASP A 34 14.311 -23.617 10.413 1.00 23.25 C
ATOM 247 C ASP A 34 14.786 -22.591 11.444 1.00 23.19 C
ATOM 248 O ASP A 34 15.270 -23.015 12.499 1.00 23.72 O
ATOM 249 CB ASP A 34 14.997 -24.969 10.596 1.00 24.88 C
ATOM 250 CG ASP A 34 16.508 -24.923 10.472 1.00 27.19 C
ATOM 251 OD1 ASP A 34 17.026 -23.928 9.935 1.00 29.91 O
ATOM 252 OD2 ASP A 34 17.151 -25.881 10.927 1.00 27.10 O1-
ATOM 253 N VAL A 35 14.716 -21.296 11.109 1.00 21.70 N
ATOM 254 CA VAL A 35 15.137 -20.187 12.003 1.00 22.01 C
ATOM 255 C VAL A 35 13.988 -19.183 12.090 1.00 21.46 C
ATOM 256 O VAL A 35 13.417 -18.822 11.043 1.00 19.40 O
ATOM 257 CB VAL A 35 16.441 -19.531 11.510 1.00 23.74 C
ATOM 258 CG1 VAL A 35 16.904 -18.421 12.435 1.00 24.77 C
ATOM 259 CG2 VAL A 35 17.556 -20.549 11.318 1.00 24.42 C
ATOM 260 N VAL A 36 13.665 -18.743 13.301 1.00 20.95 N
ATOM 261 CA VAL A 36 12.717 -17.621 13.524 1.00 20.16 C
ATOM 262 C VAL A 36 13.522 -16.431 14.027 1.00 19.49 C
ATOM 263 O VAL A 36 14.234 -16.567 15.049 1.00 20.00 O
ATOM 264 CB VAL A 36 11.605 -18.018 14.499 1.00 20.50 C
ATOM 265 CG1 VAL A 36 10.731 -16.822 14.847 1.00 20.77 C
ATOM 266 CG2 VAL A 36 10.796 -19.172 13.925 1.00 20.78 C
ATOM 267 N TYR A 37 13.436 -15.328 13.297 1.00 18.89 N
ATOM 268 CA TYR A 37 14.140 -14.064 13.602 1.00 19.60 C
ATOM 269 C TYR A 37 13.140 -13.166 14.302 1.00 19.63 C
ATOM 270 O TYR A 37 12.006 -13.079 13.845 1.00 22.28 O
ATOM 271 CB TYR A 37 14.666 -13.387 12.334 1.00 19.42 C
ATOM 272 CG TYR A 37 15.591 -14.251 11.533 1.00 20.15 C
ATOM 273 CD1 TYR A 37 15.079 -15.222 10.702 1.00 20.41 C
ATOM 274 CD2 TYR A 37 16.969 -14.118 11.630 1.00 20.75 C
ATOM 275 CE1 TYR A 37 15.910 -16.041 9.964 1.00 21.32 C
ATOM 276 CE2 TYR A 37 17.817 -14.924 10.889 1.00 22.26 C
ATOM 277 CZ TYR A 37 17.278 -15.895 10.060 1.00 21.00 C
ATOM 278 OH TYR A 37 18.046 -16.735 9.316 1.00 25.16 O
ATOM 279 N CYS A 38 13.560 -12.547 15.394 1.00 21.68 N
ATOM 280 CA CYS A 38 12.731 -11.582 16.142 1.00 18.92 C
ATOM 281 C CYS A 38 13.645 -10.597 16.858 1.00 19.05 C
ATOM 282 O CYS A 38 14.861 -10.812 17.014 1.00 18.31 O
ATOM 283 CB CYS A 38 11.759 -12.306 17.069 1.00 18.83 C
ATOM 284 SG CYS A 38 12.524 -12.942 18.588 1.00 19.13 S
ATOM 285 N PRO A 39 13.075 -9.443 17.268 1.00 17.34 N
ATOM 286 CA PRO A 39 13.805 -8.484 18.089 1.00 17.41 C
ATOM 287 C PRO A 39 14.243 -9.108 19.422 1.00 18.31 C
ATOM 288 O PRO A 39 13.453 -9.832 20.052 1.00 19.04 O
ATOM 289 CB PRO A 39 12.780 -7.361 18.296 1.00 17.11 C
ATOM 290 CG PRO A 39 11.832 -7.502 17.130 1.00 16.29 C
ATOM 291 CD PRO A 39 11.708 -8.994 16.952 1.00 16.60 C
ATOM 292 N ARG A 40 15.480 -8.854 19.827 1.00 18.05 N
ATOM 293 CA ARG A 40 16.010 -9.426 21.085 1.00 19.40 C
ATOM 294 C ARG A 40 15.244 -8.833 22.267 1.00 19.72 C
ATOM 295 O ARG A 40 15.155 -9.510 23.277 1.00 19.94 O
ATOM 296 CB ARG A 40 17.521 -9.219 21.168 1.00 19.05 C
ATOM 297 CG ARG A 40 17.947 -7.779 21.388 1.00 19.51 C
ATOM 298 CD ARG A 40 19.444 -7.735 21.575 1.00 20.56 C
ATOM 299 NE ARG A 40 19.902 -6.359 21.641 1.00 21.91 N
ATOM 300 CZ ARG A 40 21.138 -5.988 21.955 1.00 24.35 C
ATOM 301 NH1 ARG A 40 22.058 -6.901 22.216 1.00 23.62 N1+
ATOM 302 NH2 ARG A 40 21.458 -4.701 21.984 1.00 23.85 N
ATOM 303 N HIS A 41 14.636 -7.650 22.129 1.00 21.61 N
ATOM 304 CA HIS A 41 13.910 -7.008 23.266 1.00 22.82 C
ATOM 305 C HIS A 41 12.651 -7.807 23.648 1.00 22.66 C
ATOM 306 O HIS A 41 12.008 -7.448 24.665 1.00 20.64 O
ATOM 307 CB HIS A 41 13.657 -5.517 23.014 1.00 21.82 C
ATOM 308 CG HIS A 41 12.575 -5.214 22.039 1.00 22.27 C
ATOM 309 CD2 HIS A 41 11.265 -5.523 22.039 1.00 21.99 C
ATOM 310 ND1 HIS A 41 12.799 -4.460 20.901 1.00 23.01 N
ATOM 311 CE1 HIS A 41 11.665 -4.321 20.250 1.00 22.35 C
ATOM 312 NE2 HIS A 41 10.718 -4.969 20.919 1.00 22.96 N
ATOM 313 N VAL A 42 12.350 -8.901 22.944 1.00 23.26 N
ATOM 314 CA VAL A 42 11.271 -9.843 23.373 1.00 22.44 C
ATOM 315 C VAL A 42 11.570 -10.349 24.793 1.00 22.86 C
ATOM 316 O VAL A 42 10.606 -10.688 25.500 1.00 22.16 O
ATOM 317 CB VAL A 42 11.072 -11.005 22.383 1.00 20.97 C
ATOM 318 CG1 VAL A 42 12.154 -12.063 22.488 1.00 21.21 C
ATOM 319 CG2 VAL A 42 9.702 -11.632 22.558 1.00 21.99 C
ATOM 320 N ILE A 43 12.843 -10.399 25.195 1.00 22.59 N
ATOM 321 CA ILE A 43 13.259 -10.930 26.531 1.00 24.39 C
ATOM 322 C ILE A 43 13.135 -9.834 27.603 1.00 27.31 C
ATOM 323 O ILE A 43 13.404 -10.130 28.778 1.00 28.90 O
ATOM 324 CB ILE A 43 14.682 -11.536 26.474 1.00 22.69 C
ATOM 325 CG1 ILE A 43 15.763 -10.464 26.316 1.00 23.09 C
ATOM 326 CG2 ILE A 43 14.772 -12.615 25.395 1.00 22.49 C
ATOM 327 CD1 ILE A 43 17.178 -11.003 26.275 1.00 23.30 C
ATOM 328 N CYS A 44 12.728 -8.616 27.251 1.00 29.34 N
ATOM 329 CA CYS A 44 12.629 -7.495 28.216 1.00 31.92 C
ATOM 330 C CYS A 44 11.205 -7.328 28.739 1.00 34.94 C
ATOM 331 O CYS A 44 10.245 -7.509 27.967 1.00 39.24 O
ATOM 332 CB CYS A 44 13.107 -6.209 27.575 1.00 31.48 C
ATOM 333 SG CYS A 44 14.851 -6.334 27.130 1.00 32.61 S
ATOM 334 N THR A 45 11.104 -7.024 30.029 1.00 42.83 N
ATOM 335 CA THR A 45 9.990 -6.255 30.640 1.00 50.42 C
ATOM 336 C THR A 45 10.235 -4.798 30.243 1.00 56.01 C
ATOM 337 O THR A 45 11.418 -4.441 30.158 1.00 60.63 O
ATOM 338 CB THR A 45 9.956 -6.456 32.160 1.00 50.07 C
ATOM 339 CG2 THR A 45 10.088 -7.907 32.564 1.00 52.03 C
ATOM 340 OG1 THR A 45 11.024 -5.719 32.757 1.00 48.33 O
ATOM 341 N SER A 46 9.199 -3.994 29.987 1.00 58.11 N
ATOM 342 CA SER A 46 9.349 -2.549 29.652 1.00 60.09 C
ATOM 343 C SER A 46 10.179 -1.825 30.733 1.00 62.10 C
ATOM 344 O SER A 46 10.717 -0.738 30.429 1.00 60.67 O
ATOM 345 CB SER A 46 8.012 -1.902 29.465 1.00 60.89 C
ATOM 346 OG SER A 46 7.270 -1.979 30.668 1.00 60.63 O
ATOM 347 N GLU A 47 10.274 -2.403 31.941 1.00 63.65 N
ATOM 348 CA GLU A 47 11.200 -1.983 33.033 1.00 64.68 C
ATOM 349 C GLU A 47 12.643 -2.165 32.559 1.00 61.76 C
ATOM 350 O GLU A 47 13.381 -1.165 32.533 1.00 62.51 O
ATOM 351 CB GLU A 47 10.991 -2.796 34.315 1.00 69.08 C
ATOM 352 CG GLU A 47 9.546 -2.876 34.774 1.00 74.83 C
ATOM 353 CD GLU A 47 8.709 -3.930 34.067 1.00 77.72 C
ATOM 354 OE1 GLU A 47 8.342 -3.694 32.896 1.00 76.00 O
ATOM 355 OE2 GLU A 47 8.445 -4.993 34.675 1.00 77.45 O1-
ATOM 356 N ASP A 48 13.013 -3.398 32.188 1.00 59.48 N
ATOM 357 CA ASP A 48 14.314 -3.740 31.547 1.00 56.92 C
ATOM 358 C ASP A 48 14.664 -2.693 30.486 1.00 50.80 C
ATOM 359 O ASP A 48 15.859 -2.355 30.377 1.00 51.88 O
ATOM 360 CB ASP A 48 14.296 -5.108 30.850 1.00 59.49 C
ATOM 361 CG ASP A 48 14.037 -6.295 31.762 1.00 60.89 C
ATOM 362 OD1 ASP A 48 14.748 -6.415 32.775 1.00 64.34 O
ATOM 363 OD2 ASP A 48 13.136 -7.097 31.441 1.00 60.13 O1-
ATOM 364 N MET A 49 13.666 -2.207 29.737 1.00 50.34 N
ATOM 365 CA MET A 49 13.863 -1.457 28.463 1.00 49.28 C
ATOM 366 C MET A 49 14.593 -0.136 28.720 1.00 43.91 C
ATOM 367 O MET A 49 15.115 0.433 27.758 1.00 39.77 O
ATOM 368 CB MET A 49 12.540 -1.182 27.735 1.00 52.04 C
ATOM 369 CG MET A 49 12.083 -2.320 26.824 1.00 56.04 C
ATOM 370 SD MET A 49 13.407 -3.025 25.783 1.00 54.44 S
ATOM 371 CE MET A 49 13.615 -1.743 24.547 1.00 55.04 C
ATOM 372 N LEU A 50 14.675 0.309 29.971 1.00 45.47 N
ATOM 373 CA LEU A 50 15.328 1.592 30.333 1.00 48.39 C
ATOM 374 C LEU A 50 16.849 1.454 30.202 1.00 45.84 C
ATOM 375 O LEU A 50 17.469 2.399 29.689 1.00 44.18 O
ATOM 376 CB LEU A 50 14.896 1.980 31.751 1.00 55.06 C
ATOM 377 CG LEU A 50 13.383 2.136 31.926 1.00 60.67 C
ATOM 378 CD1 LEU A 50 13.006 2.326 33.390 1.00 59.06 C
ATOM 379 CD2 LEU A 50 12.843 3.278 31.064 1.00 63.41 C
ATOM 380 N ASN A 51 17.423 0.320 30.619 1.00 44.43 N
ATOM 381 CA ASN A 51 18.885 0.059 30.535 1.00 43.93 C
ATOM 382 C ASN A 51 19.151 -1.448 30.467 1.00 41.79 C
ATOM 383 O ASN A 51 19.892 -2.006 31.282 1.00 39.58 O
ATOM 384 CB ASN A 51 19.631 0.715 31.699 1.00 45.92 C
ATOM 385 CG ASN A 51 21.114 0.849 31.428 1.00 50.14 C
ATOM 386 ND2 ASN A 51 21.854 1.338 32.410 1.00 56.33 N
ATOM 387 OD1 ASN A 51 21.589 0.523 30.337 1.00 50.06 O
ATOM 388 N PRO A 52 18.597 -2.152 29.454 1.00 38.59 N
ATOM 389 CA PRO A 52 18.617 -3.616 29.437 1.00 34.86 C
ATOM 390 C PRO A 52 20.038 -4.139 29.211 1.00 30.61 C
ATOM 391 O PRO A 52 20.735 -3.547 28.423 1.00 32.55 O
ATOM 392 CB PRO A 52 17.706 -3.985 28.251 1.00 38.13 C
ATOM 393 CG PRO A 52 17.739 -2.761 27.335 1.00 37.47 C
ATOM 394 CD PRO A 52 17.992 -1.574 28.243 1.00 37.12 C
ATOM 395 N ASN A 53 20.437 -5.195 29.915 1.00 28.94 N
ATOM 396 CA ASN A 53 21.682 -5.949 29.613 1.00 29.70 C
ATOM 397 C ASN A 53 21.294 -7.288 28.983 1.00 29.29 C
ATOM 398 O ASN A 53 21.005 -8.255 29.707 1.00 27.17 O
ATOM 399 CB ASN A 53 22.573 -6.174 30.830 1.00 32.16 C
ATOM 400 CG ASN A 53 23.889 -6.799 30.418 1.00 31.82 C
ATOM 401 ND2 ASN A 53 24.995 -6.274 30.919 1.00 31.71 N
ATOM 402 OD1 ASN A 53 23.901 -7.746 29.639 1.00 34.04 O
ATOM 403 N TYR A 54 21.304 -7.340 27.658 1.00 30.59 N
ATOM 404 CA TYR A 54 20.720 -8.458 26.878 1.00 29.67 C
ATOM 405 C TYR A 54 21.477 -9.747 27.192 1.00 28.78 C
ATOM 406 O TYR A 54 20.831 -10.785 27.400 1.00 28.11 O
ATOM 407 CB TYR A 54 20.662 -8.083 25.395 1.00 28.92 C
ATOM 408 CG TYR A 54 19.610 -7.045 25.096 1.00 26.93 C
ATOM 409 CD1 TYR A 54 18.277 -7.395 25.071 1.00 28.07 C
ATOM 410 CD2 TYR A 54 19.937 -5.725 24.853 1.00 27.20 C
ATOM 411 CE1 TYR A 54 17.288 -6.471 24.798 1.00 27.59 C
ATOM 412 CE2 TYR A 54 18.960 -4.780 24.579 1.00 28.17 C
ATOM 413 CZ TYR A 54 17.627 -5.158 24.549 1.00 27.50 C
ATOM 414 OH TYR A 54 16.638 -4.259 24.293 1.00 27.16 O
ATOM 415 N GLU A 55 22.803 -9.693 27.247 1.00 31.86 N
ATOM 416 CA GLU A 55 23.625 -10.892 27.550 1.00 34.80 C
ATOM 417 C GLU A 55 23.180 -11.469 28.901 1.00 33.16 C
ATOM 418 O GLU A 55 22.955 -12.679 28.981 1.00 31.08 O
ATOM 419 CB GLU A 55 25.117 -10.560 27.534 1.00 41.11 C
ATOM 420 CG GLU A 55 25.721 -10.520 26.139 1.00 47.35 C
ATOM 421 CD GLU A 55 25.741 -11.825 25.346 1.00 56.18 C
ATOM 422 OE1 GLU A 55 25.520 -12.911 25.940 1.00 57.57 O
ATOM 423 OE2 GLU A 55 25.973 -11.754 24.107 1.00 63.62 O1-
ATOM 424 N ASP A 56 22.997 -10.623 29.909 1.00 29.60 N
ATOM 425 CA ASP A 56 22.638 -11.081 31.275 1.00 30.95 C
ATOM 426 C ASP A 56 21.193 -11.600 31.281 1.00 30.19 C
ATOM 427 O ASP A 56 20.932 -12.628 31.931 1.00 28.34 O
ATOM 428 CB ASP A 56 22.859 -9.957 32.287 1.00 31.07 C
ATOM 429 CG ASP A 56 24.324 -9.642 32.559 1.00 30.26 C
ATOM 430 OD1 ASP A 56 25.209 -10.437 32.159 1.00 28.40 O
ATOM 431 OD2 ASP A 56 24.565 -8.622 33.219 1.00 30.26 O1-
ATOM 432 N LEU A 57 20.286 -10.923 30.578 1.00 31.34 N
ATOM 433 CA LEU A 57 18.860 -11.334 30.492 1.00 30.92 C
ATOM 434 C LEU A 57 18.763 -12.691 29.791 1.00 31.58 C
ATOM 435 O LEU A 57 17.873 -13.478 30.137 1.00 31.52 O
ATOM 436 CB LEU A 57 18.063 -10.277 29.731 1.00 29.34 C
ATOM 437 CG LEU A 57 17.877 -8.939 30.440 1.00 30.18 C
ATOM 438 CD1 LEU A 57 17.106 -7.985 29.540 1.00 30.68 C
ATOM 439 CD2 LEU A 57 17.165 -9.114 31.774 1.00 30.26 C
ATOM 440 N LEU A 58 19.670 -12.968 28.861 1.00 33.44 N
ATOM 441 CA LEU A 58 19.594 -14.171 27.993 1.00 35.06 C
ATOM 442 C LEU A 58 20.072 -15.401 28.773 1.00 38.56 C
ATOM 443 O LEU A 58 19.560 -16.494 28.493 1.00 44.15 O
ATOM 444 CB LEU A 58 20.439 -13.891 26.743 1.00 36.47 C
ATOM 445 CG LEU A 58 20.063 -14.624 25.460 1.00 35.32 C
ATOM 446 CD1 LEU A 58 18.553 -14.728 25.262 1.00 33.19 C
ATOM 447 CD2 LEU A 58 20.728 -13.936 24.275 1.00 34.43 C
ATOM 448 N ILE A 59 20.997 -15.231 29.727 1.00 36.59 N
ATOM 449 CA ILE A 59 21.506 -16.320 30.610 1.00 36.74 C
ATOM 450 C ILE A 59 20.320 -17.003 31.295 1.00 34.06 C
ATOM 451 O ILE A 59 20.389 -18.209 31.506 1.00 34.59 O
ATOM 452 CB ILE A 59 22.503 -15.779 31.652 1.00 39.29 C
ATOM 453 CG1 ILE A 59 23.818 -15.339 31.011 1.00 44.77 C
ATOM 454 CG2 ILE A 59 22.738 -16.803 32.758 1.00 41.99 C
ATOM 455 CD1 ILE A 59 24.759 -14.609 31.967 1.00 47.07 C
ATOM 456 N ARG A 60 19.280 -16.248 31.639 1.00 34.34 N
ATOM 457 CA ARG A 60 18.112 -16.747 32.407 1.00 38.12 C
ATOM 458 C ARG A 60 17.148 -17.468 31.465 1.00 35.60 C
ATOM 459 O ARG A 60 16.154 -17.994 31.960 1.00 35.43 O
ATOM 460 CB ARG A 60 17.346 -15.605 33.087 1.00 44.57 C
ATOM 461 CG ARG A 60 18.201 -14.621 33.873 1.00 49.79 C
ATOM 462 CD ARG A 60 18.810 -15.243 35.115 1.00 56.18 C
ATOM 463 NE ARG A 60 20.260 -15.089 35.089 1.00 64.21 N
ATOM 464 CZ ARG A 60 21.136 -15.834 35.761 1.00 66.97 C
ATOM 465 NH1 ARG A 60 22.430 -15.597 35.625 1.00 69.81 N1+
ATOM 466 NH2 ARG A 60 20.736 -16.824 36.542 1.00 67.46 N
ATOM 467 N LYS A 61 17.392 -17.428 30.154 1.00 32.70 N
ATOM 468 CA LYS A 61 16.418 -17.903 29.141 1.00 32.64 C
ATOM 469 C LYS A 61 16.868 -19.272 28.653 1.00 29.71 C
ATOM 470 O LYS A 61 18.086 -19.484 28.487 1.00 31.23 O
ATOM 471 CB LYS A 61 16.271 -16.929 27.962 1.00 34.45 C
ATOM 472 CG LYS A 61 15.569 -15.614 28.264 1.00 36.34 C
ATOM 473 CD LYS A 61 14.128 -15.742 28.701 1.00 39.94 C
ATOM 474 CE LYS A 61 13.614 -14.472 29.343 1.00 45.84 C
ATOM 475 NZ LYS A 61 12.299 -14.677 30.000 1.00 51.82 N1+
ATOM 476 N SER A 62 15.896 -20.142 28.412 1.00 28.64 N
ATOM 477 CA SER A 62 16.078 -21.471 27.787 1.00 28.49 C
ATOM 478 C SER A 62 15.218 -21.545 26.529 1.00 25.96 C
ATOM 479 O SER A 62 14.241 -20.801 26.451 1.00 24.12 O
ATOM 480 CB SER A 62 15.727 -22.572 28.760 1.00 28.06 C
ATOM 481 OG SER A 62 16.609 -22.557 29.870 1.00 31.31 O
ATOM 482 N ASN A 63 15.575 -22.450 25.622 1.00 25.88 N
ATOM 483 CA ASN A 63 14.812 -22.768 24.389 1.00 26.13 C
ATOM 484 C ASN A 63 13.315 -22.825 24.703 1.00 25.35 C
ATOM 485 O ASN A 63 12.538 -22.307 23.890 1.00 26.00 O
ATOM 486 CB ASN A 63 15.231 -24.105 23.791 1.00 25.44 C
ATOM 487 CG ASN A 63 16.604 -24.091 23.156 1.00 28.11 C
ATOM 488 ND2 ASN A 63 17.195 -25.270 23.026 1.00 25.61 N
ATOM 489 OD1 ASN A 63 17.111 -23.039 22.772 1.00 24.78 O
ATOM 490 N HIS A 64 12.913 -23.458 25.807 1.00 23.39 N
ATOM 491 CA HIS A 64 11.474 -23.701 26.103 1.00 23.86 C
ATOM 492 C HIS A 64 10.796 -22.419 26.606 1.00 23.85 C
ATOM 493 O HIS A 64 9.573 -22.426 26.733 1.00 23.93 O
ATOM 494 CB HIS A 64 11.292 -24.884 27.065 1.00 24.21 C
ATOM 495 CG HIS A 64 11.774 -24.628 28.448 1.00 22.75 C
ATOM 496 CD2 HIS A 64 11.187 -24.042 29.503 1.00 23.32 C
ATOM 497 ND1 HIS A 64 13.024 -24.999 28.860 1.00 23.03 N
ATOM 498 CE1 HIS A 64 13.191 -24.647 30.114 1.00 22.52 C
ATOM 499 NE2 HIS A 64 12.083 -24.060 30.537 1.00 22.97 N
ATOM 500 N ASN A 65 11.539 -21.350 26.887 1.00 23.26 N
ATOM 501 CA ASN A 65 10.922 -20.065 27.312 1.00 24.07 C
ATOM 502 C ASN A 65 10.422 -19.303 26.077 1.00 23.20 C
ATOM 503 O ASN A 65 9.599 -18.403 26.229 1.00 24.46 O
ATOM 504 CB ASN A 65 11.898 -19.202 28.110 1.00 24.13 C
ATOM 505 CG ASN A 65 12.328 -19.829 29.415 1.00 25.84 C
ATOM 506 ND2 ASN A 65 11.364 -20.326 30.184 1.00 24.18 N
ATOM 507 OD1 ASN A 65 13.521 -19.836 29.728 1.00 24.79 O
ATOM 508 N PHE A 66 10.923 -19.622 24.886 1.00 22.96 N
ATOM 509 CA PHE A 66 10.535 -18.897 23.653 1.00 23.43 C
ATOM 510 C PHE A 66 9.364 -19.659 23.041 1.00 23.95 C
ATOM 511 O PHE A 66 9.591 -20.721 22.468 1.00 27.71 O
ATOM 512 CB PHE A 66 11.734 -18.751 22.716 1.00 23.88 C
ATOM 513 CG PHE A 66 12.865 -17.938 23.296 1.00 23.97 C
ATOM 514 CD1 PHE A 66 12.825 -16.549 23.276 1.00 24.33 C
ATOM 515 CD2 PHE A 66 13.966 -18.563 23.855 1.00 23.65 C
ATOM 516 CE1 PHE A 66 13.864 -15.800 23.806 1.00 24.98 C
ATOM 517 CE2 PHE A 66 15.017 -17.815 24.365 1.00 25.55 C
ATOM 518 CZ PHE A 66 14.960 -16.434 24.349 1.00 24.88 C
ATOM 519 N LEU A 67 8.147 -19.148 23.198 1.00 22.64 N
ATOM 520 CA LEU A 67 6.934 -19.809 22.662 1.00 23.88 C
ATOM 521 C LEU A 67 6.692 -19.296 21.232 1.00 25.65 C
ATOM 522 O LEU A 67 6.464 -18.059 21.044 1.00 22.46 O
ATOM 523 CB LEU A 67 5.778 -19.547 23.626 1.00 25.56 C
ATOM 524 CG LEU A 67 6.099 -19.940 25.070 1.00 28.02 C
ATOM 525 CD1 LEU A 67 5.007 -19.482 26.032 1.00 28.95 C
ATOM 526 CD2 LEU A 67 6.344 -21.445 25.171 1.00 28.19 C
ATOM 527 N VAL A 68 6.815 -20.206 20.258 1.00 21.87 N
ATOM 528 CA VAL A 68 6.733 -19.859 18.821 1.00 21.79 C
ATOM 529 C VAL A 68 5.501 -20.522 18.226 1.00 23.01 C
ATOM 530 O VAL A 68 5.393 -21.760 18.266 1.00 22.94 O
ATOM 531 CB VAL A 68 8.001 -20.231 18.047 1.00 22.68 C
ATOM 532 CG1 VAL A 68 7.852 -19.826 16.581 1.00 23.34 C
ATOM 533 CG2 VAL A 68 9.229 -19.586 18.675 1.00 21.91 C
ATOM 534 N GLN A 69 4.624 -19.698 17.670 1.00 22.25 N
ATOM 535 CA GLN A 69 3.325 -20.154 17.153 1.00 24.58 C
ATOM 536 C GLN A 69 3.164 -19.638 15.720 1.00 23.38 C
ATOM 537 O GLN A 69 3.327 -18.429 15.500 1.00 21.74 O
ATOM 538 CB GLN A 69 2.240 -19.688 18.111 1.00 25.99 C
ATOM 539 CG GLN A 69 0.948 -20.443 17.930 1.00 27.99 C
ATOM 540 CD GLN A 69 -0.078 -20.008 18.948 1.00 29.95 C
ATOM 541 NE2 GLN A 69 -1.328 -19.954 18.518 1.00 34.01 N
ATOM 542 OE1 GLN A 69 0.240 -19.720 20.099 1.00 32.15 O
ATOM 543 N ALA A 70 2.884 -20.557 14.807 1.00 25.08 N
ATOM 544 CA ALA A 70 2.679 -20.356 13.353 1.00 28.71 C
ATOM 545 C ALA A 70 1.242 -20.759 13.049 1.00 31.30 C
ATOM 546 O ALA A 70 0.947 -21.957 13.103 1.00 32.53 O
ATOM 547 CB ALA A 70 3.656 -21.207 12.585 1.00 28.57 C
ATOM 548 N GLY A 71 0.360 -19.793 12.851 1.00 35.96 N
ATOM 549 CA GLY A 71 -1.083 -20.062 12.904 1.00 38.49 C
ATOM 550 C GLY A 71 -1.446 -20.551 14.290 1.00 41.97 C
ATOM 551 O GLY A 71 -1.085 -19.875 15.271 1.00 47.37 O
ATOM 552 N ASN A 72 -2.103 -21.700 14.381 1.00 46.27 N
ATOM 553 CA ASN A 72 -2.501 -22.291 15.684 1.00 45.75 C
ATOM 554 C ASN A 72 -1.686 -23.552 15.997 1.00 42.45 C
ATOM 555 O ASN A 72 -2.183 -24.407 16.781 1.00 45.67 O
ATOM 556 CB ASN A 72 -4.005 -22.568 15.717 1.00 54.63 C
ATOM 557 CG ASN A 72 -4.752 -21.473 16.447 1.00 59.42 C
ATOM 558 ND2 ASN A 72 -5.256 -21.786 17.629 1.00 61.97 N
ATOM 559 OD1 ASN A 72 -4.837 -20.349 15.958 1.00 64.02 O
ATOM 560 N AVAL A 73 -0.494 -23.683 15.401 0.38 40.16 N
ATOM 561 N BVAL A 73 -0.474 -23.655 15.440 0.12 40.17 N
ATOM 562 CA AVAL A 73 0.442 -24.821 15.650 0.38 39.33 C
ATOM 563 CA BVAL A 73 0.451 -24.813 15.627 0.12 38.36 C
ATOM 564 C AVAL A 73 1.731 -24.273 16.275 0.38 37.23 C
ATOM 565 C BVAL A 73 1.760 -24.302 16.243 0.12 36.90 C
ATOM 566 O AVAL A 73 2.272 -23.277 15.756 0.38 32.86 O
ATOM 567 O BVAL A 73 2.344 -23.349 15.688 0.12 35.50 O
ATOM 568 CB AVAL A 73 0.742 -25.634 14.376 0.38 40.58 C
ATOM 569 CB BVAL A 73 0.690 -25.556 14.298 0.12 38.14 C
ATOM 570 CG1AVAL A 73 1.578 -24.847 13.383 0.38 40.52 C
ATOM 571 CG1BVAL A 73 1.858 -26.525 14.393 0.12 37.81 C
ATOM 572 CG2AVAL A 73 1.434 -26.949 14.704 0.38 40.46 C
ATOM 573 CG2BVAL A 73 -0.567 -26.272 13.827 0.12 37.59 C
ATOM 574 N GLN A 74 2.195 -24.921 17.347 1.00 35.61 N
ATOM 575 CA GLN A 74 3.396 -24.509 18.105 1.00 32.91 C
ATOM 576 C GLN A 74 4.639 -25.078 17.427 1.00 29.04 C
ATOM 577 O GLN A 74 4.601 -26.239 17.024 1.00 30.86 O
ATOM 578 CB GLN A 74 3.282 -25.023 19.540 1.00 33.12 C
ATOM 579 CG GLN A 74 4.071 -24.196 20.540 1.00 32.77 C
ATOM 580 CD GLN A 74 3.450 -22.846 20.812 1.00 33.44 C
ATOM 581 NE2 GLN A 74 4.250 -21.939 21.343 1.00 35.32 N
ATOM 582 OE1 GLN A 74 2.273 -22.609 20.558 1.00 34.67 O
ATOM 583 N LEU A 75 5.701 -24.281 17.328 1.00 26.44 N
ATOM 584 CA LEU A 75 7.022 -24.727 16.821 1.00 27.42 C
ATOM 585 C LEU A 75 7.941 -25.029 18.002 1.00 26.64 C
ATOM 586 O LEU A 75 7.974 -24.233 18.960 1.00 26.51 O
ATOM 587 CB LEU A 75 7.652 -23.643 15.944 1.00 29.15 C
ATOM 588 CG LEU A 75 6.850 -23.218 14.720 1.00 33.15 C
ATOM 589 CD1 LEU A 75 7.683 -22.311 13.823 1.00 33.32 C
ATOM 590 CD2 LEU A 75 6.361 -24.437 13.946 1.00 35.94 C
ATOM 591 N ARG A 76 8.655 -26.147 17.907 1.00 25.30 N
ATOM 592 CA ARG A 76 9.621 -26.609 18.921 1.00 24.92 C
ATOM 593 C ARG A 76 10.928 -25.857 18.692 1.00 24.66 C
ATOM 594 O ARG A 76 11.499 -25.971 17.592 1.00 23.84 O
ATOM 595 CB ARG A 76 9.816 -28.120 18.812 1.00 24.88 C
ATOM 596 CG ARG A 76 10.611 -28.731 19.953 1.00 23.17 C
ATOM 597 CD ARG A 76 10.719 -30.243 19.769 1.00 23.59 C
ATOM 598 NE ARG A 76 9.398 -30.871 19.838 1.00 23.52 N
ATOM 599 CZ ARG A 76 8.716 -31.072 20.963 1.00 22.77 C
ATOM 600 NH1 ARG A 76 9.228 -30.721 22.133 1.00 21.97 N1+
ATOM 601 NH2 ARG A 76 7.516 -31.626 20.909 1.00 23.46 N
ATOM 602 N VAL A 77 11.369 -25.108 19.697 1.00 25.08 N
ATOM 603 CA VAL A 77 12.660 -24.367 19.660 1.00 23.89 C
ATOM 604 C VAL A 77 13.769 -25.295 20.168 1.00 24.45 C
ATOM 605 O VAL A 77 13.681 -25.719 21.308 1.00 23.38 O
ATOM 606 CB VAL A 77 12.550 -23.088 20.497 1.00 23.44 C
ATOM 607 CG1 VAL A 77 13.883 -22.344 20.549 1.00 22.89 C
ATOM 608 CG2 VAL A 77 11.400 -22.214 20.001 1.00 23.27 C
ATOM 609 N ILE A 78 14.798 -25.544 19.353 1.00 25.23 N
ATOM 610 CA ILE A 78 15.891 -26.516 19.651 1.00 26.46 C
ATOM 611 C ILE A 78 17.213 -25.759 19.813 1.00 26.14 C
ATOM 612 O ILE A 78 18.233 -26.393 20.075 1.00 26.67 O
ATOM 613 CB ILE A 78 15.954 -27.607 18.559 1.00 28.09 C
ATOM 614 CG1 ILE A 78 16.246 -27.037 17.165 1.00 30.78 C
ATOM 615 CG2 ILE A 78 14.666 -28.412 18.554 1.00 27.68 C
ATOM 616 CD1 ILE A 78 16.367 -28.089 16.079 1.00 30.64 C
ATOM 617 N GLY A 79 17.184 -24.437 19.703 1.00 25.78 N
ATOM 618 CA GLY A 79 18.368 -23.593 19.937 1.00 25.74 C
ATOM 619 C GLY A 79 18.012 -22.129 19.836 1.00 24.96 C
ATOM 620 O GLY A 79 16.972 -21.809 19.250 1.00 24.79 O
ATOM 621 N HIS A 80 18.825 -21.265 20.431 1.00 25.19 N
ATOM 622 CA HIS A 80 18.670 -19.800 20.307 1.00 25.75 C
ATOM 623 C HIS A 80 20.032 -19.151 20.488 1.00 26.99 C
ATOM 624 O HIS A 80 20.844 -19.612 21.322 1.00 26.78 O
ATOM 625 CB HIS A 80 17.631 -19.263 21.291 1.00 26.86 C
ATOM 626 CG HIS A 80 18.058 -19.340 22.713 1.00 28.65 C
ATOM 627 CD2 HIS A 80 18.559 -18.406 23.549 1.00 30.69 C
ATOM 628 ND1 HIS A 80 17.965 -20.510 23.446 1.00 28.89 N
ATOM 629 CE1 HIS A 80 18.395 -20.292 24.677 1.00 29.32 C
ATOM 630 NE2 HIS A 80 18.750 -19.003 24.772 1.00 30.36 N
ATOM 631 N SER A 81 20.255 -18.098 19.720 1.00 26.32 N
ATOM 632 CA SER A 81 21.478 -17.282 19.806 1.00 26.18 C
ATOM 633 C SER A 81 21.085 -15.838 19.558 1.00 25.96 C
ATOM 634 O SER A 81 20.014 -15.594 18.967 1.00 25.88 O
ATOM 635 CB SER A 81 22.461 -17.758 18.817 1.00 25.24 C
ATOM 636 OG SER A 81 21.834 -17.786 17.546 1.00 27.56 O
ATOM 637 N MET A 82 21.911 -14.923 20.028 1.00 24.76 N
ATOM 638 CA MET A 82 21.721 -13.486 19.781 1.00 24.46 C
ATOM 639 C MET A 82 22.716 -13.089 18.695 1.00 24.74 C
ATOM 640 O MET A 82 23.880 -13.444 18.852 1.00 24.83 O
ATOM 641 CB MET A 82 21.994 -12.704 21.057 1.00 24.80 C
ATOM 642 CG MET A 82 21.638 -11.261 20.918 1.00 25.72 C
ATOM 643 SD MET A 82 21.608 -10.429 22.503 1.00 26.62 S
ATOM 644 CE MET A 82 23.195 -10.901 23.189 1.00 28.64 C
ATOM 645 N GLN A 83 22.253 -12.448 17.625 1.00 24.14 N
ATOM 646 CA GLN A 83 23.126 -11.797 16.614 1.00 24.91 C
ATOM 647 C GLN A 83 22.805 -10.302 16.593 1.00 22.70 C
ATOM 648 O GLN A 83 21.706 -9.936 16.150 1.00 22.14 O
ATOM 649 CB GLN A 83 22.948 -12.402 15.233 1.00 25.81 C
ATOM 650 CG GLN A 83 23.874 -11.758 14.206 1.00 28.17 C
ATOM 651 CD GLN A 83 23.701 -12.370 12.844 1.00 29.41 C
ATOM 652 NE2 GLN A 83 24.674 -12.145 11.980 1.00 30.41 N
ATOM 653 OE1 GLN A 83 22.697 -13.022 12.563 1.00 33.57 O
ATOM 654 N ASN A 84 23.694 -9.487 17.146 1.00 20.87 N
ATOM 655 CA ASN A 84 23.464 -8.031 17.278 1.00 20.57 C
ATOM 656 C ASN A 84 22.163 -7.833 18.064 1.00 19.83 C
ATOM 657 O ASN A 84 22.078 -8.318 19.221 1.00 20.85 O
ATOM 658 CB ASN A 84 23.508 -7.414 15.884 1.00 21.19 C
ATOM 659 CG ASN A 84 24.835 -7.718 15.220 1.00 21.65 C
ATOM 660 ND2 ASN A 84 24.818 -8.305 14.037 1.00 22.64 N
ATOM 661 OD1 ASN A 84 25.870 -7.464 15.816 1.00 22.70 O
ATOM 662 N CYS A 85 21.152 -7.207 17.460 1.00 18.63 N
ATOM 663 CA CYS A 85 19.887 -6.881 18.152 1.00 17.98 C
ATOM 664 C CYS A 85 18.757 -7.822 17.763 1.00 17.81 C
ATOM 665 O CYS A 85 17.645 -7.535 18.166 1.00 19.02 O
ATOM 666 CB CYS A 85 19.510 -5.430 17.918 1.00 18.61 C
ATOM 667 SG CYS A 85 20.779 -4.319 18.576 1.00 20.24 S
ATOM 668 N VAL A 86 19.025 -8.926 17.076 1.00 18.79 N
ATOM 669 CA VAL A 86 17.966 -9.940 16.807 1.00 20.65 C
ATOM 670 C VAL A 86 18.279 -11.235 17.534 1.00 20.27 C
ATOM 671 O VAL A 86 19.464 -11.549 17.734 1.00 20.18 O
ATOM 672 CB VAL A 86 17.749 -10.211 15.310 1.00 20.57 C
ATOM 673 CG1 VAL A 86 17.221 -8.970 14.627 1.00 22.04 C
ATOM 674 CG2 VAL A 86 18.989 -10.757 14.627 1.00 21.26 C
ATOM 675 N LEU A 87 17.225 -11.973 17.854 1.00 20.87 N
ATOM 676 CA LEU A 87 17.349 -13.383 18.274 1.00 21.91 C
ATOM 677 C LEU A 87 17.049 -14.272 17.077 1.00 21.47 C
ATOM 678 O LEU A 87 16.126 -13.980 16.319 1.00 18.93 O
ATOM 679 CB LEU A 87 16.386 -13.691 19.414 1.00 25.34 C
ATOM 680 CG LEU A 87 16.741 -13.075 20.750 1.00 27.36 C
ATOM 681 CD1 LEU A 87 15.679 -13.435 21.775 1.00 30.35 C
ATOM 682 CD2 LEU A 87 18.113 -13.538 21.192 1.00 30.13 C
ATOM 683 N LYS A 88 17.850 -15.319 16.940 1.00 21.83 N
ATOM 684 CA LYS A 88 17.646 -16.420 15.986 1.00 23.09 C
ATOM 685 C LYS A 88 17.214 -17.643 16.798 1.00 23.33 C
ATOM 686 O LYS A 88 18.008 -18.155 17.600 1.00 22.21 O
ATOM 687 CB LYS A 88 18.926 -16.598 15.166 1.00 25.30 C
ATOM 688 CG LYS A 88 19.268 -15.396 14.288 1.00 27.35 C
ATOM 689 CD LYS A 88 20.407 -15.662 13.309 1.00 29.46 C
ATOM 690 CE LYS A 88 21.669 -16.094 14.020 1.00 31.99 C
ATOM 691 NZ LYS A 88 22.839 -16.058 13.121 1.00 33.96 N1+
ATOM 692 N LEU A 89 15.952 -18.034 16.653 1.00 22.42 N
ATOM 693 CA LEU A 89 15.407 -19.223 17.333 1.00 22.50 C
ATOM 694 C LEU A 89 15.457 -20.360 16.328 1.00 22.45 C
ATOM 695 O LEU A 89 14.735 -20.281 15.310 1.00 23.44 O
ATOM 696 CB LEU A 89 13.982 -18.932 17.804 1.00 21.80 C
ATOM 697 CG LEU A 89 13.789 -17.655 18.617 1.00 21.99 C
ATOM 698 CD1 LEU A 89 12.304 -17.452 18.902 1.00 22.14 C
ATOM 699 CD2 LEU A 89 14.579 -17.690 19.920 1.00 21.83 C
ATOM 700 N LYS A 90 16.306 -21.357 16.568 1.00 23.32 N
ATOM 701 CA LYS A 90 16.310 -22.571 15.722 1.00 24.17 C
ATOM 702 C LYS A 90 15.119 -23.435 16.134 1.00 22.53 C
ATOM 703 O LYS A 90 14.979 -23.766 17.346 1.00 22.42 O
ATOM 704 CB LYS A 90 17.621 -23.351 15.784 1.00 28.70 C
ATOM 705 CG LYS A 90 17.829 -24.221 14.552 1.00 33.52 C
ATOM 706 CD LYS A 90 18.935 -25.248 14.668 1.00 42.60 C
ATOM 707 CE LYS A 90 19.513 -25.636 13.313 1.00 46.49 C
ATOM 708 NZ LYS A 90 20.176 -26.966 13.331 1.00 50.54 N1+
ATOM 709 N VAL A 91 14.286 -23.764 15.156 1.00 22.43 N
ATOM 710 CA VAL A 91 13.091 -24.628 15.339 1.00 23.33 C
ATOM 711 C VAL A 91 13.373 -25.967 14.653 1.00 22.61 C
ATOM 712 O VAL A 91 14.350 -26.018 13.889 1.00 21.79 O
ATOM 713 CB VAL A 91 11.822 -23.904 14.854 1.00 22.29 C
ATOM 714 CG1 VAL A 91 11.542 -22.713 15.759 1.00 23.68 C
ATOM 715 CG2 VAL A 91 11.876 -23.457 13.403 1.00 22.61 C
ATOM 716 N ASP A 92 12.567 -27.001 14.916 1.00 24.50 N
ATOM 717 CA ASP A 92 12.814 -28.375 14.380 1.00 25.92 C
ATOM 718 C ASP A 92 12.122 -28.550 13.020 1.00 27.14 C
ATOM 719 O ASP A 92 12.288 -29.631 12.418 1.00 27.88 O
ATOM 720 CB ASP A 92 12.394 -29.467 15.365 1.00 25.94 C
ATOM 721 CG ASP A 92 10.895 -29.563 15.538 1.00 27.48 C
ATOM 722 OD1 ASP A 92 10.208 -28.666 15.051 1.00 28.76 O
ATOM 723 OD2 ASP A 92 10.436 -30.528 16.168 1.00 29.92 O1-
ATOM 724 N THR A 93 11.376 -27.539 12.554 1.00 25.88 N
ATOM 725 CA THR A 93 10.604 -27.571 11.291 1.00 26.52 C
ATOM 726 C THR A 93 11.031 -26.399 10.404 1.00 27.01 C
ATOM 727 O THR A 93 10.985 -25.232 10.874 1.00 24.04 O
ATOM 728 CB THR A 93 9.089 -27.551 11.545 1.00 27.05 C
ATOM 729 CG2 THR A 93 8.284 -27.800 10.288 1.00 26.43 C
ATOM 730 OG1 THR A 93 8.787 -28.562 12.513 1.00 29.20 O
ATOM 731 N ALA A 94 11.477 -26.710 9.184 1.00 27.46 N
ATOM 732 CA ALA A 94 11.704 -25.724 8.107 1.00 27.42 C
ATOM 733 C ALA A 94 10.335 -25.165 7.739 1.00 26.40 C
ATOM 734 O ALA A 94 9.396 -25.979 7.612 1.00 23.23 O
ATOM 735 CB ALA A 94 12.370 -26.350 6.905 1.00 29.46 C
ATOM 736 N ASN A 95 10.208 -23.843 7.609 1.00 25.19 N
ATOM 737 CA ASN A 95 8.934 -23.239 7.142 1.00 23.86 C
ATOM 738 C ASN A 95 8.658 -23.772 5.738 1.00 23.99 C
ATOM 739 O ASN A 95 9.407 -23.486 4.819 1.00 23.55 O
ATOM 740 CB ASN A 95 8.991 -21.718 7.172 1.00 21.19 C
ATOM 741 CG ASN A 95 7.707 -21.061 6.720 1.00 22.86 C
ATOM 742 ND2 ASN A 95 7.707 -19.737 6.761 1.00 22.64 N
ATOM 743 OD1 ASN A 95 6.723 -21.723 6.361 1.00 20.73 O
ATOM 744 N PRO A 96 7.564 -24.526 5.517 1.00 25.12 N
ATOM 745 CA PRO A 96 7.281 -25.068 4.194 1.00 26.98 C
ATOM 746 C PRO A 96 6.965 -23.945 3.189 1.00 29.70 C
ATOM 747 O PRO A 96 7.047 -24.170 2.002 1.00 30.28 O
ATOM 748 CB PRO A 96 6.086 -25.996 4.453 1.00 27.03 C
ATOM 749 CG PRO A 96 5.405 -25.419 5.673 1.00 26.57 C
ATOM 750 CD PRO A 96 6.534 -24.870 6.511 1.00 25.92 C
ATOM 751 N LYS A 97 6.618 -22.750 3.680 1.00 29.19 N
ATOM 752 CA LYS A 97 6.260 -21.591 2.826 1.00 26.87 C
ATOM 753 C LYS A 97 7.471 -20.679 2.646 1.00 26.46 C
ATOM 754 O LYS A 97 7.281 -19.561 2.169 1.00 28.05 O
ATOM 755 CB LYS A 97 5.087 -20.839 3.447 1.00 27.91 C
ATOM 756 CG LYS A 97 3.882 -21.720 3.700 1.00 27.69 C
ATOM 757 CD LYS A 97 2.679 -20.938 4.120 1.00 30.07 C
ATOM 758 CE LYS A 97 1.528 -21.823 4.545 1.00 31.68 C
ATOM 759 NZ LYS A 97 0.577 -21.084 5.409 1.00 33.04 N1+
ATOM 760 N THR A 98 8.675 -21.129 2.995 1.00 26.62 N
ATOM 761 CA THR A 98 9.896 -20.308 2.810 1.00 26.69 C
ATOM 762 C THR A 98 9.991 -19.942 1.330 1.00 27.78 C
ATOM 763 O THR A 98 10.091 -20.827 0.487 1.00 27.52 O
ATOM 764 CB THR A 98 11.155 -21.005 3.327 1.00 25.59 C
ATOM 765 CG2 THR A 98 12.377 -20.122 3.231 1.00 26.05 C
ATOM 766 OG1 THR A 98 10.944 -21.376 4.688 1.00 25.95 O
ATOM 767 N PRO A 99 9.973 -18.633 0.982 1.00 28.16 N
ATOM 768 CA PRO A 99 10.221 -18.188 -0.386 1.00 27.42 C
ATOM 769 C PRO A 99 11.733 -18.151 -0.573 1.00 25.76 C
ATOM 770 O PRO A 99 12.398 -18.184 0.424 1.00 26.48 O
ATOM 771 CB PRO A 99 9.630 -16.771 -0.394 1.00 28.94 C
ATOM 772 CG PRO A 99 9.942 -16.262 1.011 1.00 29.49 C
ATOM 773 CD PRO A 99 9.808 -17.489 1.901 1.00 28.90 C
ATOM 774 N LYS A 100 12.229 -18.080 -1.813 1.00 27.71 N
ATOM 775 CA LYS A 100 13.620 -17.638 -2.089 1.00 27.30 C
ATOM 776 C LYS A 100 13.792 -16.264 -1.451 1.00 26.01 C
ATOM 777 O LYS A 100 12.908 -15.401 -1.619 1.00 24.15 O
ATOM 778 CB LYS A 100 13.923 -17.519 -3.582 1.00 31.14 C
ATOM 779 CG LYS A 100 13.935 -18.849 -4.314 1.00 36.12 C
ATOM 780 CD LYS A 100 14.145 -18.714 -5.803 1.00 37.32 C
ATOM 781 CE LYS A 100 13.360 -19.753 -6.565 1.00 39.33 C
ATOM 782 NZ LYS A 100 13.886 -19.923 -7.937 1.00 43.08 N1+
ATOM 783 N TYR A 101 14.901 -16.056 -0.767 1.00 26.87 N
ATOM 784 CA TYR A 101 15.093 -14.812 0.006 1.00 27.11 C
ATOM 785 C TYR A 101 16.567 -14.501 0.149 1.00 25.20 C
ATOM 786 O TYR A 101 17.402 -15.392 0.014 1.00 27.39 O
ATOM 787 CB TYR A 101 14.415 -14.940 1.369 1.00 26.05 C
ATOM 788 CG TYR A 101 15.133 -15.845 2.328 1.00 26.70 C
ATOM 789 CD1 TYR A 101 16.165 -15.362 3.117 1.00 27.60 C
ATOM 790 CD2 TYR A 101 14.785 -17.179 2.441 1.00 26.17 C
ATOM 791 CE1 TYR A 101 16.823 -16.183 4.015 1.00 29.11 C
ATOM 792 CE2 TYR A 101 15.440 -18.012 3.329 1.00 26.90 C
ATOM 793 CZ TYR A 101 16.459 -17.514 4.116 1.00 27.73 C
ATOM 794 OH TYR A 101 17.100 -18.328 5.001 1.00 28.57 O
ATOM 795 N LYS A 102 16.828 -13.230 0.407 1.00 26.08 N
ATOM 796 CA LYS A 102 18.132 -12.683 0.807 1.00 26.92 C
ATOM 797 C LYS A 102 17.875 -11.726 1.968 1.00 24.59 C
ATOM 798 O LYS A 102 16.742 -11.254 2.105 1.00 25.07 O
ATOM 799 CB LYS A 102 18.799 -11.903 -0.327 1.00 30.88 C
ATOM 800 CG LYS A 102 18.611 -12.457 -1.727 1.00 36.74 C
ATOM 801 CD LYS A 102 19.498 -11.777 -2.760 1.00 38.95 C
ATOM 802 CE LYS A 102 20.232 -12.762 -3.651 1.00 43.49 C
ATOM 803 NZ LYS A 102 20.631 -12.159 -4.947 1.00 46.24 N1+
ATOM 804 N PHE A 103 18.909 -11.459 2.746 1.00 23.01 N
ATOM 805 CA PHE A 103 18.984 -10.351 3.720 1.00 24.93 C
ATOM 806 C PHE A 103 19.815 -9.256 3.078 1.00 27.18 C
ATOM 807 O PHE A 103 20.964 -9.556 2.699 1.00 27.20 O
ATOM 808 CB PHE A 103 19.596 -10.833 5.033 1.00 24.63 C
ATOM 809 CG PHE A 103 18.739 -11.824 5.774 1.00 23.14 C
ATOM 810 CD1 PHE A 103 17.405 -11.996 5.449 1.00 22.28 C
ATOM 811 CD2 PHE A 103 19.262 -12.552 6.829 1.00 23.88 C
ATOM 812 CE1 PHE A 103 16.620 -12.887 6.158 1.00 23.43 C
ATOM 813 CE2 PHE A 103 18.474 -13.445 7.533 1.00 23.70 C
ATOM 814 CZ PHE A 103 17.156 -13.608 7.195 1.00 23.97 C
ATOM 815 N VAL A 104 19.244 -8.062 2.925 1.00 26.84 N
ATOM 816 CA VAL A 104 19.988 -6.909 2.354 1.00 29.03 C
ATOM 817 C VAL A 104 19.911 -5.731 3.322 1.00 28.89 C
ATOM 818 O VAL A 104 18.834 -5.468 3.862 1.00 30.45 O
ATOM 819 CB VAL A 104 19.459 -6.539 0.959 1.00 29.30 C
ATOM 820 CG1 VAL A 104 19.660 -7.682 -0.021 1.00 31.33 C
ATOM 821 CG2 VAL A 104 18.001 -6.127 1.002 1.00 31.24 C
ATOM 822 N ARG A 105 21.030 -5.051 3.516 1.00 28.46 N
ATOM 823 CA ARG A 105 21.079 -3.775 4.250 1.00 28.00 C
ATOM 824 C ARG A 105 20.919 -2.661 3.226 1.00 28.26 C
ATOM 825 O ARG A 105 21.845 -2.450 2.440 1.00 27.84 O
ATOM 826 CB ARG A 105 22.394 -3.621 5.001 1.00 27.90 C
ATOM 827 CG ARG A 105 22.371 -2.456 5.978 1.00 27.14 C
ATOM 828 CD ARG A 105 23.656 -2.368 6.769 1.00 27.09 C
ATOM 829 NE ARG A 105 23.585 -1.185 7.607 1.00 28.11 N
ATOM 830 CZ ARG A 105 22.921 -1.099 8.750 1.00 25.25 C
ATOM 831 NH1 ARG A 105 22.262 -2.137 9.242 1.00 26.02 N1+
ATOM 832 NH2 ARG A 105 22.905 0.051 9.382 1.00 25.03 N
ATOM 833 N ILE A 106 19.776 -1.994 3.232 1.00 27.20 N
ATOM 834 CA ILE A 106 19.469 -0.917 2.254 1.00 27.16 C
ATOM 835 C ILE A 106 20.223 0.360 2.651 1.00 27.19 C
ATOM 836 O ILE A 106 20.728 0.459 3.798 1.00 25.67 O
ATOM 837 CB ILE A 106 17.946 -0.706 2.135 1.00 27.57 C
ATOM 838 CG1 ILE A 106 17.286 -0.455 3.495 1.00 27.56 C
ATOM 839 CG2 ILE A 106 17.304 -1.872 1.386 1.00 29.02 C
ATOM 840 CD1 ILE A 106 15.952 0.228 3.402 1.00 27.38 C
ATOM 841 N GLN A 107 20.296 1.301 1.714 1.00 29.88 N
ATOM 842 CA GLN A 107 20.846 2.665 1.905 1.00 30.37 C
ATOM 843 C GLN A 107 19.692 3.609 2.234 1.00 27.54 C
ATOM 844 O GLN A 107 18.554 3.358 1.863 1.00 24.79 O
ATOM 845 CB GLN A 107 21.533 3.135 0.620 1.00 35.87 C
ATOM 846 CG GLN A 107 22.707 2.276 0.160 1.00 39.52 C
ATOM 847 CD GLN A 107 23.844 2.251 1.154 1.00 46.25 C
ATOM 848 NE2 GLN A 107 24.591 1.155 1.135 1.00 47.80 N
ATOM 849 OE1 GLN A 107 24.047 3.181 1.944 1.00 48.18 O
ATOM 850 N PRO A 108 19.957 4.755 2.887 1.00 27.09 N
ATOM 851 CA PRO A 108 18.933 5.778 3.063 1.00 26.55 C
ATOM 852 C PRO A 108 18.381 6.221 1.701 1.00 24.65 C
ATOM 853 O PRO A 108 19.129 6.273 0.767 1.00 24.75 O
ATOM 854 CB PRO A 108 19.657 6.920 3.796 1.00 27.07 C
ATOM 855 CG PRO A 108 21.136 6.654 3.564 1.00 30.09 C
ATOM 856 CD PRO A 108 21.261 5.153 3.435 1.00 28.15 C
ATOM 857 N GLY A 109 17.076 6.465 1.627 1.00 23.19 N
ATOM 858 CA GLY A 109 16.353 6.870 0.403 1.00 24.09 C
ATOM 859 C GLY A 109 15.770 5.691 -0.348 1.00 24.67 C
ATOM 860 O GLY A 109 14.873 5.905 -1.200 1.00 25.87 O
ATOM 861 N GLN A 110 16.242 4.479 -0.056 1.00 27.17 N
ATOM 862 CA GLN A 110 15.675 3.242 -0.640 1.00 28.09 C
ATOM 863 C GLN A 110 14.309 2.993 -0.011 1.00 25.22 C
ATOM 864 O GLN A 110 14.093 3.387 1.162 1.00 26.81 O
ATOM 865 CB GLN A 110 16.630 2.069 -0.473 1.00 34.07 C
ATOM 866 CG GLN A 110 17.921 2.278 -1.253 1.00 41.71 C
ATOM 867 CD GLN A 110 17.671 2.507 -2.724 1.00 50.83 C
ATOM 868 NE2 GLN A 110 17.085 1.511 -3.372 1.00 54.94 N
ATOM 869 OE1 GLN A 110 17.970 3.571 -3.270 1.00 59.16 O
ATOM 870 N THR A 111 13.434 2.405 -0.818 1.00 22.43 N
ATOM 871 CA THR A 111 12.011 2.149 -0.529 1.00 22.85 C
ATOM 872 C THR A 111 11.837 0.647 -0.305 1.00 21.86 C
ATOM 873 O THR A 111 12.680 -0.156 -0.767 1.00 22.33 O
ATOM 874 CB THR A 111 11.126 2.672 -1.668 1.00 22.84 C
ATOM 875 CG2 THR A 111 11.168 4.184 -1.774 1.00 22.35 C
ATOM 876 OG1 THR A 111 11.559 2.045 -2.878 1.00 22.24 O
ATOM 877 N PHE A 112 10.797 0.285 0.419 1.00 21.36 N
ATOM 878 CA PHE A 112 10.481 -1.128 0.718 1.00 20.84 C