USER MOD reduce.3.24.130724 H: found=0, std=0, add=1042, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1035 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 106 MET CE :methyl -114:sc= 0 (180deg=-0.196) USER MOD Set 1.2: A 114 ASN : amide:sc= -2.29 K(o=-2.3,f=-0.047) USER MOD Set 2.1: A 52 GLN : amide:sc= -3.7 X(o=-6.7,f=-6.6!) USER MOD Set 2.2: A 56 THR OG1 : rot 180:sc= -0.863 USER MOD Set 2.3: A 107 MET CE :methyl -122:sc= -2.18 (180deg=-4.5!) USER MOD Set 3.1: A 28 GLN : amide:sc=-0.00216 X(o=-0.02,f=-0.065) USER MOD Set 3.2: A 31 HIS : no HE2:sc= -0.0181 K(o=-0.02,f=-0.89) USER MOD Single : A 1 SER N :NH3+ -170:sc= -0.0968 (180deg=-0.221) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= -1.22 K(o=-1.2,f=-0.29) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.0113 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.884 X(o=-0.88,f=-0.41) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 50:sc= -2.96! USER MOD Single : A 24 LYS NZ :NH3+ -113:sc= 0.181 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.13 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 158:sc= 0 (180deg=-0.437) USER MOD Single : A 42 GLN : amide:sc= -5.35! C(o=-5.4!,f=-2.3!) USER MOD Single : A 45 SER OG : rot 83:sc= 0.449 USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HD1:sc= -0.911 K(o=-0.91,f=-0.35) USER MOD Single : A 60 SER OG : rot 180:sc= 0.0807 USER MOD Single : A 61 HIS : no HD1:sc= -0.338 X(o=-0.34,f=-0.74) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -130:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -1.01 K(o=-1,f=-7!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -0.26 X(o=-0.26,f=-0.13) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= -1.18 USER MOD Single : A 89 ASN : amide:sc= -2.01 X(o=-2,f=-1.9!) USER MOD Single : A 96 THR OG1 : rot 41:sc= 0.0289 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.0142) USER MOD Single : A 132 THR OG1 : rot 23:sc= 0.29 USER MOD Single : A 134 THR OG1 : rot 180:sc= -0.0121 USER MOD Single : A 138 SER OG : rot 180:sc= 0.0148 USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -8.233 -13.496 -10.427 1.00 0.00 N ATOM 2 CA SER A 1 -7.140 -13.651 -11.424 1.00 0.00 C ATOM 3 C SER A 1 -5.890 -14.246 -10.784 1.00 0.00 C ATOM 4 O SER A 1 -5.052 -14.835 -11.468 1.00 0.00 O ATOM 5 CB SER A 1 -6.826 -12.278 -12.020 1.00 0.00 C ATOM 6 OG SER A 1 -6.726 -12.345 -13.431 1.00 0.00 O ATOM 0 H1 SER A 1 -9.117 -13.252 -10.917 1.00 0.00 H new ATOM 0 H2 SER A 1 -8.359 -14.389 -9.909 1.00 0.00 H new ATOM 0 H3 SER A 1 -7.987 -12.739 -9.757 1.00 0.00 H new ATOM 0 HA SER A 1 -7.465 -14.336 -12.208 1.00 0.00 H new ATOM 0 HB2 SER A 1 -7.606 -11.570 -11.741 1.00 0.00 H new ATOM 0 HB3 SER A 1 -5.891 -11.903 -11.604 1.00 0.00 H new ATOM 0 HG SER A 1 -6.526 -11.454 -13.787 1.00 0.00 H new ATOM 14 N GLY A 2 -5.773 -14.089 -9.470 1.00 0.00 N ATOM 15 CA GLY A 2 -4.622 -14.616 -8.759 1.00 0.00 C ATOM 16 C GLY A 2 -5.017 -15.497 -7.589 1.00 0.00 C ATOM 17 O GLY A 2 -4.157 -15.991 -6.859 1.00 0.00 O ATOM 0 H GLY A 2 -6.454 -13.606 -8.884 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -4.004 -15.190 -9.449 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -4.012 -13.788 -8.397 1.00 0.00 H new ATOM 21 N PHE A 3 -6.321 -15.692 -7.414 1.00 0.00 N ATOM 22 CA PHE A 3 -6.836 -16.518 -6.327 1.00 0.00 C ATOM 23 C PHE A 3 -6.347 -16.009 -4.973 1.00 0.00 C ATOM 24 O PHE A 3 -6.145 -16.790 -4.042 1.00 0.00 O ATOM 25 CB PHE A 3 -6.418 -17.977 -6.522 1.00 0.00 C ATOM 26 CG PHE A 3 -7.450 -18.809 -7.227 1.00 0.00 C ATOM 27 CD1 PHE A 3 -8.524 -19.340 -6.531 1.00 0.00 C ATOM 28 CD2 PHE A 3 -7.348 -19.057 -8.587 1.00 0.00 C ATOM 29 CE1 PHE A 3 -9.477 -20.104 -7.178 1.00 0.00 C ATOM 30 CE2 PHE A 3 -8.298 -19.821 -9.239 1.00 0.00 C ATOM 31 CZ PHE A 3 -9.363 -20.345 -8.533 1.00 0.00 C ATOM 0 H PHE A 3 -7.041 -15.288 -8.013 1.00 0.00 H new ATOM 0 HA PHE A 3 -7.924 -16.456 -6.343 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -5.489 -18.007 -7.091 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -6.210 -18.420 -5.548 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -8.618 -19.155 -5.471 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -6.517 -18.649 -9.143 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -10.310 -20.512 -6.625 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -8.207 -20.008 -10.299 1.00 0.00 H new ATOM 0 HZ PHE A 3 -10.106 -20.943 -9.040 1.00 0.00 H new ATOM 41 N VAL A 4 -6.160 -14.697 -4.872 1.00 0.00 N ATOM 42 CA VAL A 4 -5.696 -14.085 -3.633 1.00 0.00 C ATOM 43 C VAL A 4 -6.867 -13.781 -2.702 1.00 0.00 C ATOM 44 O VAL A 4 -8.025 -14.001 -3.055 1.00 0.00 O ATOM 45 CB VAL A 4 -4.915 -12.785 -3.906 1.00 0.00 C ATOM 46 CG1 VAL A 4 -3.690 -13.069 -4.762 1.00 0.00 C ATOM 47 CG2 VAL A 4 -5.810 -11.750 -4.571 1.00 0.00 C ATOM 0 H VAL A 4 -6.323 -14.038 -5.633 1.00 0.00 H new ATOM 0 HA VAL A 4 -5.030 -14.802 -3.153 1.00 0.00 H new ATOM 0 HB VAL A 4 -4.579 -12.379 -2.952 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -3.151 -12.140 -4.945 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -3.038 -13.771 -4.242 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -4.003 -13.500 -5.713 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -5.239 -10.840 -4.755 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -6.180 -12.144 -5.518 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -6.653 -11.524 -3.918 1.00 0.00 H new ATOM 57 N CYS A 5 -6.558 -13.275 -1.512 1.00 0.00 N ATOM 58 CA CYS A 5 -7.588 -12.945 -0.532 1.00 0.00 C ATOM 59 C CYS A 5 -7.309 -11.595 0.122 1.00 0.00 C ATOM 60 O CYS A 5 -7.972 -10.602 -0.173 1.00 0.00 O ATOM 61 CB CYS A 5 -7.674 -14.036 0.537 1.00 0.00 C ATOM 62 SG CYS A 5 -6.650 -15.503 0.190 1.00 0.00 S ATOM 0 H CYS A 5 -5.605 -13.085 -1.203 1.00 0.00 H new ATOM 0 HA CYS A 5 -8.542 -12.883 -1.055 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -7.372 -13.614 1.496 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -8.713 -14.348 0.639 1.00 0.00 H new ATOM 67 N ASN A 6 -6.323 -11.568 1.014 1.00 0.00 N ATOM 68 CA ASN A 6 -5.956 -10.342 1.713 1.00 0.00 C ATOM 69 C ASN A 6 -4.534 -10.433 2.252 1.00 0.00 C ATOM 70 O ASN A 6 -4.049 -11.519 2.570 1.00 0.00 O ATOM 71 CB ASN A 6 -6.933 -10.070 2.859 1.00 0.00 C ATOM 72 CG ASN A 6 -7.134 -11.283 3.746 1.00 0.00 C ATOM 73 OD1 ASN A 6 -6.517 -11.400 4.806 1.00 0.00 O ATOM 74 ND2 ASN A 6 -7.999 -12.193 3.317 1.00 0.00 N ATOM 0 H ASN A 6 -5.764 -12.382 1.269 1.00 0.00 H new ATOM 0 HA ASN A 6 -6.005 -9.517 1.002 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -6.561 -9.241 3.461 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -7.894 -9.760 2.448 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -8.175 -13.031 3.872 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -8.488 -12.055 2.433 1.00 0.00 H new ATOM 81 N THR A 7 -3.869 -9.288 2.349 1.00 0.00 N ATOM 82 CA THR A 7 -2.499 -9.242 2.846 1.00 0.00 C ATOM 83 C THR A 7 -2.213 -7.914 3.541 1.00 0.00 C ATOM 84 O THR A 7 -1.601 -7.879 4.608 1.00 0.00 O ATOM 85 CB THR A 7 -1.515 -9.445 1.694 1.00 0.00 C ATOM 86 OG1 THR A 7 -0.188 -9.188 2.116 1.00 0.00 O ATOM 87 CG2 THR A 7 -1.801 -8.554 0.504 1.00 0.00 C ATOM 0 H THR A 7 -4.255 -8.380 2.091 1.00 0.00 H new ATOM 0 HA THR A 7 -2.376 -10.045 3.573 1.00 0.00 H new ATOM 0 HB THR A 7 -1.635 -10.484 1.388 1.00 0.00 H new ATOM 0 HG1 THR A 7 0.426 -9.325 1.365 1.00 0.00 H new ATOM 0 HG21 THR A 7 -1.068 -8.746 -0.279 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.801 -8.764 0.124 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.741 -7.509 0.809 1.00 0.00 H new ATOM 95 N CYS A 8 -2.656 -6.826 2.922 1.00 0.00 N ATOM 96 CA CYS A 8 -2.447 -5.491 3.469 1.00 0.00 C ATOM 97 C CYS A 8 -3.101 -5.349 4.845 1.00 0.00 C ATOM 98 O CYS A 8 -4.139 -5.953 5.113 1.00 0.00 O ATOM 99 CB CYS A 8 -2.998 -4.440 2.505 1.00 0.00 C ATOM 100 SG CYS A 8 -2.707 -4.816 0.745 1.00 0.00 S ATOM 0 H CYS A 8 -3.164 -6.843 2.038 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.375 -5.335 3.592 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -4.070 -4.338 2.671 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -2.546 -3.476 2.739 1.00 0.00 H new ATOM 105 N PRO A 9 -2.481 -4.565 5.747 1.00 0.00 N ATOM 106 CA PRO A 9 -2.974 -4.354 7.110 1.00 0.00 C ATOM 107 C PRO A 9 -3.872 -3.127 7.250 1.00 0.00 C ATOM 108 O PRO A 9 -3.671 -2.121 6.573 1.00 0.00 O ATOM 109 CB PRO A 9 -1.673 -4.115 7.858 1.00 0.00 C ATOM 110 CG PRO A 9 -0.880 -3.299 6.896 1.00 0.00 C ATOM 111 CD PRO A 9 -1.215 -3.838 5.527 1.00 0.00 C ATOM 0 HA PRO A 9 -3.588 -5.183 7.462 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.838 -3.586 8.796 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.171 -5.051 8.104 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.137 -2.243 6.974 1.00 0.00 H new ATOM 0 HG3 PRO A 9 0.188 -3.383 7.099 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -1.333 -3.037 4.797 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -0.432 -4.498 5.152 1.00 0.00 H new ATOM 119 N GLU A 10 -4.838 -3.219 8.162 1.00 0.00 N ATOM 120 CA GLU A 10 -5.768 -2.122 8.445 1.00 0.00 C ATOM 121 C GLU A 10 -6.425 -1.577 7.176 1.00 0.00 C ATOM 122 O GLU A 10 -5.754 -1.041 6.297 1.00 0.00 O ATOM 123 CB GLU A 10 -5.040 -0.997 9.179 1.00 0.00 C ATOM 124 CG GLU A 10 -5.913 -0.260 10.182 1.00 0.00 C ATOM 125 CD GLU A 10 -5.351 -0.308 11.589 1.00 0.00 C ATOM 126 OE1 GLU A 10 -4.276 0.285 11.820 1.00 0.00 O ATOM 127 OE2 GLU A 10 -5.986 -0.939 12.461 1.00 0.00 O ATOM 0 H GLU A 10 -5.000 -4.053 8.726 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.561 -2.523 9.076 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.176 -1.412 9.698 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.660 -0.284 8.448 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.018 0.780 9.872 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -6.912 -0.696 10.178 1.00 0.00 H new ATOM 134 N LYS A 11 -7.749 -1.720 7.103 1.00 0.00 N ATOM 135 CA LYS A 11 -8.527 -1.253 5.956 1.00 0.00 C ATOM 136 C LYS A 11 -8.287 -2.138 4.740 1.00 0.00 C ATOM 137 O LYS A 11 -9.200 -2.829 4.298 1.00 0.00 O ATOM 138 CB LYS A 11 -8.221 0.210 5.635 1.00 0.00 C ATOM 139 CG LYS A 11 -8.994 1.205 6.497 1.00 0.00 C ATOM 140 CD LYS A 11 -10.349 0.664 6.935 1.00 0.00 C ATOM 141 CE LYS A 11 -11.150 1.711 7.689 1.00 0.00 C ATOM 142 NZ LYS A 11 -12.580 1.322 7.830 1.00 0.00 N ATOM 0 H LYS A 11 -8.309 -2.160 7.833 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.582 -1.320 6.222 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.153 0.385 5.764 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.450 0.398 4.586 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.403 1.454 7.378 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.138 2.130 5.939 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.910 0.335 6.060 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.205 -0.211 7.569 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.715 1.858 8.677 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.083 2.665 7.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -13.092 2.063 8.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -13.003 1.206 6.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.646 0.425 8.352 1.00 0.00 H new ATOM 155 N TRP A 12 -7.048 -2.132 4.230 1.00 0.00 N ATOM 156 CA TRP A 12 -6.656 -2.961 3.071 1.00 0.00 C ATOM 157 C TRP A 12 -7.791 -3.171 2.056 1.00 0.00 C ATOM 158 O TRP A 12 -8.779 -3.847 2.337 1.00 0.00 O ATOM 159 CB TRP A 12 -6.150 -4.328 3.543 1.00 0.00 C ATOM 160 CG TRP A 12 -6.881 -4.863 4.737 1.00 0.00 C ATOM 161 CD1 TRP A 12 -6.677 -4.515 6.040 1.00 0.00 C ATOM 162 CD2 TRP A 12 -7.926 -5.841 4.742 1.00 0.00 C ATOM 163 NE1 TRP A 12 -7.539 -5.202 6.853 1.00 0.00 N ATOM 164 CE2 TRP A 12 -8.314 -6.029 6.082 1.00 0.00 C ATOM 165 CE3 TRP A 12 -8.574 -6.575 3.744 1.00 0.00 C ATOM 166 CZ2 TRP A 12 -9.320 -6.918 6.450 1.00 0.00 C ATOM 167 CZ3 TRP A 12 -9.572 -7.459 4.110 1.00 0.00 C ATOM 168 CH2 TRP A 12 -9.936 -7.624 5.452 1.00 0.00 C ATOM 0 H TRP A 12 -6.291 -1.559 4.602 1.00 0.00 H new ATOM 0 HA TRP A 12 -5.864 -2.411 2.563 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -6.240 -5.041 2.724 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -5.090 -4.250 3.783 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -5.942 -3.801 6.381 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -7.595 -5.113 7.868 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -8.300 -6.454 2.706 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -9.604 -7.046 7.484 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -10.079 -8.032 3.348 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -10.719 -8.323 5.705 1.00 0.00 H new ATOM 179 N ILE A 13 -7.620 -2.618 0.859 1.00 0.00 N ATOM 180 CA ILE A 13 -8.606 -2.765 -0.206 1.00 0.00 C ATOM 181 C ILE A 13 -7.946 -3.305 -1.473 1.00 0.00 C ATOM 182 O ILE A 13 -6.978 -2.736 -1.959 1.00 0.00 O ATOM 183 CB ILE A 13 -9.284 -1.418 -0.537 1.00 0.00 C ATOM 184 CG1 ILE A 13 -8.936 -0.355 0.515 1.00 0.00 C ATOM 185 CG2 ILE A 13 -10.788 -1.595 -0.648 1.00 0.00 C ATOM 186 CD1 ILE A 13 -9.744 -0.457 1.794 1.00 0.00 C ATOM 0 H ILE A 13 -6.804 -2.062 0.602 1.00 0.00 H new ATOM 0 HA ILE A 13 -9.362 -3.465 0.149 1.00 0.00 H new ATOM 0 HB ILE A 13 -8.906 -1.072 -1.499 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -7.877 -0.436 0.760 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -9.088 0.633 0.081 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -11.251 -0.636 -0.882 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.013 -2.309 -1.440 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -11.181 -1.967 0.298 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -9.436 0.330 2.483 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -10.804 -0.344 1.565 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -9.574 -1.430 2.255 1.00 0.00 H new ATOM 198 N ASN A 14 -8.465 -4.401 -2.009 1.00 0.00 N ATOM 199 CA ASN A 14 -7.892 -4.991 -3.215 1.00 0.00 C ATOM 200 C ASN A 14 -8.781 -4.755 -4.433 1.00 0.00 C ATOM 201 O ASN A 14 -10.000 -4.637 -4.310 1.00 0.00 O ATOM 202 CB ASN A 14 -7.658 -6.490 -3.018 1.00 0.00 C ATOM 203 CG ASN A 14 -7.255 -7.189 -4.302 1.00 0.00 C ATOM 204 OD1 ASN A 14 -8.009 -7.995 -4.845 1.00 0.00 O ATOM 205 ND2 ASN A 14 -6.059 -6.882 -4.793 1.00 0.00 N ATOM 0 H ASN A 14 -9.274 -4.897 -1.634 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.936 -4.501 -3.398 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.880 -6.638 -2.268 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.567 -6.948 -2.629 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.733 -7.321 -5.654 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.467 -6.207 -4.309 1.00 0.00 H new ATOM 212 N PHE A 15 -8.158 -4.687 -5.609 1.00 0.00 N ATOM 213 CA PHE A 15 -8.891 -4.464 -6.850 1.00 0.00 C ATOM 214 C PHE A 15 -8.540 -5.533 -7.886 1.00 0.00 C ATOM 215 O PHE A 15 -8.604 -6.729 -7.595 1.00 0.00 O ATOM 216 CB PHE A 15 -8.589 -3.067 -7.399 1.00 0.00 C ATOM 217 CG PHE A 15 -8.532 -2.004 -6.340 1.00 0.00 C ATOM 218 CD1 PHE A 15 -9.676 -1.321 -5.962 1.00 0.00 C ATOM 219 CD2 PHE A 15 -7.332 -1.688 -5.724 1.00 0.00 C ATOM 220 CE1 PHE A 15 -9.625 -0.342 -4.988 1.00 0.00 C ATOM 221 CE2 PHE A 15 -7.274 -0.711 -4.749 1.00 0.00 C ATOM 222 CZ PHE A 15 -8.423 -0.036 -4.380 1.00 0.00 C ATOM 0 H PHE A 15 -7.149 -4.783 -5.726 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.958 -4.534 -6.638 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -7.637 -3.092 -7.928 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -9.353 -2.800 -8.129 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -10.619 -1.556 -6.434 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -6.431 -2.211 -6.009 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -10.524 0.183 -4.702 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -6.332 -0.475 -4.276 1.00 0.00 H new ATOM 0 HZ PHE A 15 -8.381 0.729 -3.618 1.00 0.00 H new ATOM 232 N GLN A 16 -8.167 -5.101 -9.090 1.00 0.00 N ATOM 233 CA GLN A 16 -7.805 -6.028 -10.157 1.00 0.00 C ATOM 234 C GLN A 16 -6.711 -6.985 -9.694 1.00 0.00 C ATOM 235 O GLN A 16 -6.813 -8.197 -9.879 1.00 0.00 O ATOM 236 CB GLN A 16 -7.338 -5.260 -11.394 1.00 0.00 C ATOM 237 CG GLN A 16 -8.309 -4.178 -11.838 1.00 0.00 C ATOM 238 CD GLN A 16 -9.338 -4.688 -12.829 1.00 0.00 C ATOM 239 OE1 GLN A 16 -9.798 -5.825 -12.733 1.00 0.00 O ATOM 240 NE2 GLN A 16 -9.703 -3.847 -13.790 1.00 0.00 N ATOM 0 H GLN A 16 -8.108 -4.116 -9.349 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.689 -6.611 -10.415 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.370 -4.805 -11.185 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -7.190 -5.963 -12.214 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -8.821 -3.774 -10.965 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -7.751 -3.357 -12.289 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -9.296 -2.913 -13.832 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.391 -4.135 -14.486 1.00 0.00 H new ATOM 249 N ARG A 17 -5.667 -6.430 -9.085 1.00 0.00 N ATOM 250 CA ARG A 17 -4.556 -7.232 -8.588 1.00 0.00 C ATOM 251 C ARG A 17 -3.686 -6.425 -7.632 1.00 0.00 C ATOM 252 O ARG A 17 -2.667 -6.911 -7.140 1.00 0.00 O ATOM 253 CB ARG A 17 -3.710 -7.754 -9.752 1.00 0.00 C ATOM 254 CG ARG A 17 -3.336 -6.679 -10.760 1.00 0.00 C ATOM 255 CD ARG A 17 -1.852 -6.715 -11.086 1.00 0.00 C ATOM 256 NE ARG A 17 -1.544 -5.988 -12.316 1.00 0.00 N ATOM 257 CZ ARG A 17 -0.961 -6.543 -13.373 1.00 0.00 C ATOM 258 NH1 ARG A 17 -0.623 -7.825 -13.352 1.00 0.00 N ATOM 259 NH2 ARG A 17 -0.717 -5.815 -14.455 1.00 0.00 N ATOM 0 H ARG A 17 -5.568 -5.428 -8.924 1.00 0.00 H new ATOM 0 HA ARG A 17 -4.971 -8.080 -8.044 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -2.799 -8.202 -9.356 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -4.258 -8.545 -10.263 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.914 -6.818 -11.674 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -3.599 -5.699 -10.363 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.289 -6.283 -10.259 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.528 -7.751 -11.186 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.790 -4.999 -12.366 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.810 -8.388 -12.523 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -0.176 -8.248 -14.165 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.977 -4.829 -14.476 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.269 -6.241 -15.266 1.00 0.00 H new ATOM 273 N LYS A 18 -4.104 -5.194 -7.367 1.00 0.00 N ATOM 274 CA LYS A 18 -3.387 -4.315 -6.467 1.00 0.00 C ATOM 275 C LYS A 18 -4.227 -4.045 -5.232 1.00 0.00 C ATOM 276 O LYS A 18 -5.447 -4.190 -5.259 1.00 0.00 O ATOM 277 CB LYS A 18 -3.052 -3.002 -7.170 1.00 0.00 C ATOM 278 CG LYS A 18 -4.227 -2.044 -7.243 1.00 0.00 C ATOM 279 CD LYS A 18 -4.185 -1.207 -8.511 1.00 0.00 C ATOM 280 CE LYS A 18 -4.332 0.274 -8.205 1.00 0.00 C ATOM 281 NZ LYS A 18 -4.072 1.118 -9.403 1.00 0.00 N ATOM 0 H LYS A 18 -4.946 -4.783 -7.770 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.457 -4.798 -6.166 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.229 -2.517 -6.646 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.704 -3.217 -8.180 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.160 -2.607 -7.208 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.218 -1.388 -6.372 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.243 -1.380 -9.032 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.983 -1.522 -9.183 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.338 0.470 -7.835 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.640 0.550 -7.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.183 2.121 -9.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.103 0.951 -9.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.748 0.873 -10.154 1.00 0.00 H new ATOM 294 N CYS A 19 -3.575 -3.662 -4.151 1.00 0.00 N ATOM 295 CA CYS A 19 -4.279 -3.385 -2.911 1.00 0.00 C ATOM 296 C CYS A 19 -3.791 -2.094 -2.267 1.00 0.00 C ATOM 297 O CYS A 19 -2.631 -1.710 -2.407 1.00 0.00 O ATOM 298 CB CYS A 19 -4.118 -4.553 -1.933 1.00 0.00 C ATOM 299 SG CYS A 19 -4.367 -4.105 -0.184 1.00 0.00 S ATOM 0 H CYS A 19 -2.564 -3.536 -4.105 1.00 0.00 H new ATOM 0 HA CYS A 19 -5.335 -3.263 -3.152 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -4.828 -5.336 -2.200 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -3.120 -4.974 -2.050 1.00 0.00 H new ATOM 304 N TYR A 20 -4.693 -1.445 -1.545 1.00 0.00 N ATOM 305 CA TYR A 20 -4.392 -0.208 -0.844 1.00 0.00 C ATOM 306 C TYR A 20 -4.762 -0.372 0.619 1.00 0.00 C ATOM 307 O TYR A 20 -5.923 -0.611 0.935 1.00 0.00 O ATOM 308 CB TYR A 20 -5.222 0.944 -1.423 1.00 0.00 C ATOM 309 CG TYR A 20 -4.690 1.545 -2.705 1.00 0.00 C ATOM 310 CD1 TYR A 20 -4.230 0.745 -3.743 1.00 0.00 C ATOM 311 CD2 TYR A 20 -4.661 2.923 -2.875 1.00 0.00 C ATOM 312 CE1 TYR A 20 -3.751 1.304 -4.913 1.00 0.00 C ATOM 313 CE2 TYR A 20 -4.186 3.489 -4.041 1.00 0.00 C ATOM 314 CZ TYR A 20 -3.731 2.675 -5.057 1.00 0.00 C ATOM 315 OH TYR A 20 -3.257 3.235 -6.222 1.00 0.00 O ATOM 0 H TYR A 20 -5.655 -1.763 -1.429 1.00 0.00 H new ATOM 0 HA TYR A 20 -3.331 0.014 -0.955 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.235 0.585 -1.603 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.291 1.732 -0.673 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.247 -0.329 -3.634 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -5.016 3.563 -2.081 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -3.394 0.670 -5.711 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -4.171 4.563 -4.157 1.00 0.00 H new ATOM 0 HH TYR A 20 -3.313 4.212 -6.162 1.00 0.00 H new ATOM 325 N TYR A 21 -3.806 -0.226 1.518 1.00 0.00 N ATOM 326 CA TYR A 21 -4.126 -0.359 2.927 1.00 0.00 C ATOM 327 C TYR A 21 -4.216 1.002 3.587 1.00 0.00 C ATOM 328 O TYR A 21 -3.219 1.710 3.747 1.00 0.00 O ATOM 329 CB TYR A 21 -3.142 -1.267 3.669 1.00 0.00 C ATOM 330 CG TYR A 21 -1.698 -1.127 3.262 1.00 0.00 C ATOM 331 CD1 TYR A 21 -1.243 -1.609 2.042 1.00 0.00 C ATOM 332 CD2 TYR A 21 -0.781 -0.534 4.116 1.00 0.00 C ATOM 333 CE1 TYR A 21 0.085 -1.502 1.683 1.00 0.00 C ATOM 334 CE2 TYR A 21 0.546 -0.419 3.767 1.00 0.00 C ATOM 335 CZ TYR A 21 0.977 -0.906 2.549 1.00 0.00 C ATOM 336 OH TYR A 21 2.302 -0.793 2.196 1.00 0.00 O ATOM 0 H TYR A 21 -2.829 -0.021 1.307 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.102 -0.841 2.989 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -3.222 -1.064 4.737 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -3.445 -2.303 3.518 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.941 -2.076 1.362 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.113 -0.156 5.071 1.00 0.00 H new ATOM 0 HE1 TYR A 21 0.423 -1.882 0.730 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.246 0.050 4.443 1.00 0.00 H new ATOM 0 HH TYR A 21 2.369 -0.406 1.298 1.00 0.00 H new ATOM 346 N PHE A 22 -5.437 1.348 3.959 1.00 0.00 N ATOM 347 CA PHE A 22 -5.728 2.616 4.604 1.00 0.00 C ATOM 348 C PHE A 22 -5.621 2.459 6.115 1.00 0.00 C ATOM 349 O PHE A 22 -6.607 2.573 6.839 1.00 0.00 O ATOM 350 CB PHE A 22 -7.135 3.070 4.196 1.00 0.00 C ATOM 351 CG PHE A 22 -7.275 3.318 2.713 1.00 0.00 C ATOM 352 CD1 PHE A 22 -6.181 3.705 1.956 1.00 0.00 C ATOM 353 CD2 PHE A 22 -8.497 3.158 2.076 1.00 0.00 C ATOM 354 CE1 PHE A 22 -6.298 3.928 0.596 1.00 0.00 C ATOM 355 CE2 PHE A 22 -8.620 3.382 0.714 1.00 0.00 C ATOM 356 CZ PHE A 22 -7.517 3.767 -0.026 1.00 0.00 C ATOM 0 H PHE A 22 -6.256 0.756 3.822 1.00 0.00 H new ATOM 0 HA PHE A 22 -5.009 3.373 4.290 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -7.857 2.312 4.500 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -7.385 3.983 4.736 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -5.222 3.835 2.435 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -9.362 2.856 2.648 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.434 4.228 0.022 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -9.577 3.256 0.230 1.00 0.00 H new ATOM 0 HZ PHE A 22 -7.611 3.941 -1.088 1.00 0.00 H new ATOM 366 N GLY A 23 -4.410 2.177 6.581 1.00 0.00 N ATOM 367 CA GLY A 23 -4.188 1.979 7.991 1.00 0.00 C ATOM 368 C GLY A 23 -4.251 3.269 8.785 1.00 0.00 C ATOM 369 O GLY A 23 -4.236 4.359 8.214 1.00 0.00 O ATOM 0 H GLY A 23 -3.577 2.083 6.000 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.934 1.284 8.377 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.213 1.515 8.138 1.00 0.00 H new ATOM 373 N LYS A 24 -4.333 3.142 10.106 1.00 0.00 N ATOM 374 CA LYS A 24 -4.413 4.304 10.985 1.00 0.00 C ATOM 375 C LYS A 24 -3.226 4.359 11.944 1.00 0.00 C ATOM 376 O LYS A 24 -2.775 3.331 12.450 1.00 0.00 O ATOM 377 CB LYS A 24 -5.721 4.280 11.778 1.00 0.00 C ATOM 378 CG LYS A 24 -5.973 2.965 12.496 1.00 0.00 C ATOM 379 CD LYS A 24 -7.351 2.936 13.137 1.00 0.00 C ATOM 380 CE LYS A 24 -7.827 1.511 13.371 1.00 0.00 C ATOM 381 NZ LYS A 24 -7.178 0.897 14.563 1.00 0.00 N ATOM 0 H LYS A 24 -4.346 2.245 10.592 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.387 5.196 10.359 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.707 5.087 12.510 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.551 4.479 11.100 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.882 2.140 11.789 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.211 2.815 13.261 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.323 3.472 14.086 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.062 3.458 12.497 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.909 1.507 13.504 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.612 0.907 12.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.555 0.122 14.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.617 1.616 15.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.908 0.524 15.202 1.00 0.00 H new ATOM 394 N GLY A 25 -2.730 5.568 12.189 1.00 0.00 N ATOM 395 CA GLY A 25 -1.603 5.747 13.087 1.00 0.00 C ATOM 396 C GLY A 25 -1.449 7.188 13.540 1.00 0.00 C ATOM 397 O GLY A 25 -2.439 7.892 13.731 1.00 0.00 O ATOM 0 H GLY A 25 -3.090 6.430 11.780 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.731 5.106 13.959 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.689 5.426 12.587 1.00 0.00 H new ATOM 401 N THR A 26 -0.203 7.625 13.711 1.00 0.00 N ATOM 402 CA THR A 26 0.077 8.993 14.143 1.00 0.00 C ATOM 403 C THR A 26 1.555 9.328 13.967 1.00 0.00 C ATOM 404 O THR A 26 2.393 8.916 14.770 1.00 0.00 O ATOM 405 CB THR A 26 -0.327 9.182 15.607 1.00 0.00 C ATOM 406 OG1 THR A 26 -0.590 7.933 16.221 1.00 0.00 O ATOM 407 CG2 THR A 26 -1.556 10.047 15.782 1.00 0.00 C ATOM 0 H THR A 26 0.627 7.053 13.557 1.00 0.00 H new ATOM 0 HA THR A 26 -0.509 9.669 13.520 1.00 0.00 H new ATOM 0 HB THR A 26 0.520 9.682 16.077 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.845 8.076 17.156 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.787 10.140 16.843 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.368 11.036 15.364 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.400 9.589 15.266 1.00 0.00 H new ATOM 415 N LYS A 27 1.869 10.075 12.912 1.00 0.00 N ATOM 416 CA LYS A 27 3.249 10.463 12.633 1.00 0.00 C ATOM 417 C LYS A 27 3.310 11.561 11.567 1.00 0.00 C ATOM 418 O LYS A 27 2.563 12.538 11.632 1.00 0.00 O ATOM 419 CB LYS A 27 4.061 9.241 12.192 1.00 0.00 C ATOM 420 CG LYS A 27 3.240 8.190 11.460 1.00 0.00 C ATOM 421 CD LYS A 27 3.433 6.810 12.067 1.00 0.00 C ATOM 422 CE LYS A 27 3.156 5.711 11.054 1.00 0.00 C ATOM 423 NZ LYS A 27 3.482 4.362 11.593 1.00 0.00 N ATOM 0 H LYS A 27 1.188 10.423 12.237 1.00 0.00 H new ATOM 0 HA LYS A 27 3.683 10.863 13.549 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.873 9.571 11.544 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.519 8.785 13.070 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.185 8.460 11.497 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.527 8.170 10.409 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.453 6.715 12.439 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.769 6.692 12.924 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.106 5.742 10.764 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.741 5.893 10.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.279 3.641 10.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.490 4.324 11.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.905 4.177 12.438 1.00 0.00 H new ATOM 436 N GLN A 28 4.200 11.398 10.587 1.00 0.00 N ATOM 437 CA GLN A 28 4.353 12.377 9.516 1.00 0.00 C ATOM 438 C GLN A 28 4.323 11.692 8.152 1.00 0.00 C ATOM 439 O GLN A 28 4.038 10.498 8.054 1.00 0.00 O ATOM 440 CB GLN A 28 5.664 13.149 9.680 1.00 0.00 C ATOM 441 CG GLN A 28 6.090 13.332 11.129 1.00 0.00 C ATOM 442 CD GLN A 28 7.485 12.802 11.396 1.00 0.00 C ATOM 443 OE1 GLN A 28 7.690 11.981 12.290 1.00 0.00 O ATOM 444 NE2 GLN A 28 8.456 13.274 10.621 1.00 0.00 N ATOM 0 H GLN A 28 4.825 10.595 10.515 1.00 0.00 H new ATOM 0 HA GLN A 28 3.520 13.077 9.575 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.454 12.624 9.142 1.00 0.00 H new ATOM 0 HB3 GLN A 28 5.558 14.129 9.215 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.052 14.391 11.384 1.00 0.00 H new ATOM 0 HG3 GLN A 28 5.380 12.822 11.780 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.241 13.954 9.891 1.00 0.00 H new ATOM 0 HE22 GLN A 28 9.416 12.956 10.756 1.00 0.00 H new ATOM 453 N TRP A 29 4.614 12.455 7.102 1.00 0.00 N ATOM 454 CA TRP A 29 4.615 11.916 5.747 1.00 0.00 C ATOM 455 C TRP A 29 5.725 10.892 5.557 1.00 0.00 C ATOM 456 O TRP A 29 5.490 9.791 5.059 1.00 0.00 O ATOM 457 CB TRP A 29 4.774 13.032 4.717 1.00 0.00 C ATOM 458 CG TRP A 29 4.739 12.515 3.313 1.00 0.00 C ATOM 459 CD1 TRP A 29 3.636 12.360 2.526 1.00 0.00 C ATOM 460 CD2 TRP A 29 5.855 12.064 2.538 1.00 0.00 C ATOM 461 NE1 TRP A 29 3.998 11.837 1.310 1.00 0.00 N ATOM 462 CE2 TRP A 29 5.354 11.649 1.292 1.00 0.00 C ATOM 463 CE3 TRP A 29 7.230 11.971 2.777 1.00 0.00 C ATOM 464 CZ2 TRP A 29 6.175 11.147 0.288 1.00 0.00 C ATOM 465 CZ3 TRP A 29 8.046 11.475 1.778 1.00 0.00 C ATOM 466 CH2 TRP A 29 7.516 11.067 0.547 1.00 0.00 C ATOM 0 H TRP A 29 4.851 13.445 7.164 1.00 0.00 H new ATOM 0 HA TRP A 29 3.655 11.423 5.597 1.00 0.00 H new ATOM 0 HB2 TRP A 29 3.979 13.765 4.852 1.00 0.00 H new ATOM 0 HB3 TRP A 29 5.718 13.550 4.888 1.00 0.00 H new ATOM 0 HD1 TRP A 29 2.627 12.612 2.817 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.360 11.623 0.544 1.00 0.00 H new ATOM 0 HE3 TRP A 29 7.646 12.281 3.724 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.769 10.832 -0.662 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 9.110 11.401 1.949 1.00 0.00 H new ATOM 0 HH2 TRP A 29 8.180 10.681 -0.213 1.00 0.00 H new ATOM 477 N VAL A 30 6.935 11.268 5.946 1.00 0.00 N ATOM 478 CA VAL A 30 8.091 10.388 5.815 1.00 0.00 C ATOM 479 C VAL A 30 7.834 9.051 6.490 1.00 0.00 C ATOM 480 O VAL A 30 8.337 8.015 6.058 1.00 0.00 O ATOM 481 CB VAL A 30 9.355 11.026 6.419 1.00 0.00 C ATOM 482 CG1 VAL A 30 9.860 12.148 5.530 1.00 0.00 C ATOM 483 CG2 VAL A 30 9.073 11.537 7.823 1.00 0.00 C ATOM 0 H VAL A 30 7.143 12.178 6.356 1.00 0.00 H new ATOM 0 HA VAL A 30 8.253 10.229 4.749 1.00 0.00 H new ATOM 0 HB VAL A 30 10.132 10.264 6.482 1.00 0.00 H new ATOM 0 HG11 VAL A 30 10.754 12.588 5.972 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.101 11.751 4.544 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.089 12.912 5.435 1.00 0.00 H new ATOM 0 HG21 VAL A 30 9.977 11.985 8.236 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.282 12.286 7.786 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.758 10.707 8.456 1.00 0.00 H new ATOM 493 N HIS A 31 7.041 9.080 7.550 1.00 0.00 N ATOM 494 CA HIS A 31 6.707 7.867 8.278 1.00 0.00 C ATOM 495 C HIS A 31 5.751 7.004 7.462 1.00 0.00 C ATOM 496 O HIS A 31 5.734 5.781 7.601 1.00 0.00 O ATOM 497 CB HIS A 31 6.086 8.209 9.631 1.00 0.00 C ATOM 498 CG HIS A 31 6.973 7.886 10.794 1.00 0.00 C ATOM 499 ND1 HIS A 31 7.451 8.842 11.665 1.00 0.00 N ATOM 500 CD2 HIS A 31 7.469 6.703 11.229 1.00 0.00 C ATOM 501 CE1 HIS A 31 8.203 8.263 12.584 1.00 0.00 C ATOM 502 NE2 HIS A 31 8.229 6.965 12.342 1.00 0.00 N ATOM 0 H HIS A 31 6.618 9.929 7.924 1.00 0.00 H new ATOM 0 HA HIS A 31 7.625 7.305 8.450 1.00 0.00 H new ATOM 0 HB2 HIS A 31 5.844 9.272 9.653 1.00 0.00 H new ATOM 0 HB3 HIS A 31 5.147 7.666 9.739 1.00 0.00 H new ATOM 0 HD1 HIS A 31 7.254 9.841 11.609 1.00 0.00 H new ATOM 0 HD2 HIS A 31 7.298 5.734 10.783 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.710 8.765 13.395 1.00 0.00 H new ATOM 511 N ALA A 32 4.957 7.648 6.608 1.00 0.00 N ATOM 512 CA ALA A 32 4.007 6.930 5.771 1.00 0.00 C ATOM 513 C ALA A 32 4.729 6.128 4.698 1.00 0.00 C ATOM 514 O ALA A 32 4.467 4.940 4.524 1.00 0.00 O ATOM 515 CB ALA A 32 3.022 7.899 5.136 1.00 0.00 C ATOM 0 H ALA A 32 4.955 8.660 6.480 1.00 0.00 H new ATOM 0 HA ALA A 32 3.454 6.234 6.402 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.318 7.347 4.513 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.477 8.428 5.918 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.564 8.618 4.521 1.00 0.00 H new ATOM 521 N ARG A 33 5.650 6.779 3.994 1.00 0.00 N ATOM 522 CA ARG A 33 6.418 6.116 2.950 1.00 0.00 C ATOM 523 C ARG A 33 7.221 4.963 3.536 1.00 0.00 C ATOM 524 O ARG A 33 7.321 3.893 2.935 1.00 0.00 O ATOM 525 CB ARG A 33 7.348 7.106 2.243 1.00 0.00 C ATOM 526 CG ARG A 33 8.399 7.720 3.152 1.00 0.00 C ATOM 527 CD ARG A 33 9.805 7.390 2.679 1.00 0.00 C ATOM 528 NE ARG A 33 10.269 8.316 1.650 1.00 0.00 N ATOM 529 CZ ARG A 33 11.549 8.498 1.343 1.00 0.00 C ATOM 530 NH1 ARG A 33 12.492 7.820 1.984 1.00 0.00 N ATOM 531 NH2 ARG A 33 11.890 9.360 0.394 1.00 0.00 N ATOM 0 H ARG A 33 5.881 7.763 4.128 1.00 0.00 H new ATOM 0 HA ARG A 33 5.719 5.720 2.213 1.00 0.00 H new ATOM 0 HB2 ARG A 33 7.847 6.596 1.419 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.748 7.904 1.806 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.269 8.802 3.182 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.261 7.354 4.169 1.00 0.00 H new ATOM 0 HD2 ARG A 33 10.489 7.419 3.527 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.826 6.373 2.287 1.00 0.00 H new ATOM 0 HE ARG A 33 9.570 8.854 1.137 1.00 0.00 H new ATOM 0 HH11 ARG A 33 12.235 7.157 2.715 1.00 0.00 H new ATOM 0 HH12 ARG A 33 13.474 7.962 1.746 1.00 0.00 H new ATOM 0 HH21 ARG A 33 11.169 9.885 -0.102 1.00 0.00 H new ATOM 0 HH22 ARG A 33 12.873 9.498 0.160 1.00 0.00 H new ATOM 545 N TYR A 34 7.781 5.185 4.721 1.00 0.00 N ATOM 546 CA TYR A 34 8.561 4.156 5.395 1.00 0.00 C ATOM 547 C TYR A 34 7.679 2.957 5.711 1.00 0.00 C ATOM 548 O TYR A 34 8.121 1.810 5.641 1.00 0.00 O ATOM 549 CB TYR A 34 9.184 4.707 6.680 1.00 0.00 C ATOM 550 CG TYR A 34 10.692 4.608 6.714 1.00 0.00 C ATOM 551 CD1 TYR A 34 11.321 3.389 6.941 1.00 0.00 C ATOM 552 CD2 TYR A 34 11.486 5.731 6.520 1.00 0.00 C ATOM 553 CE1 TYR A 34 12.699 3.294 6.974 1.00 0.00 C ATOM 554 CE2 TYR A 34 12.865 5.643 6.550 1.00 0.00 C ATOM 555 CZ TYR A 34 13.466 4.423 6.778 1.00 0.00 C ATOM 556 OH TYR A 34 14.839 4.332 6.809 1.00 0.00 O ATOM 0 H TYR A 34 7.709 6.065 5.232 1.00 0.00 H new ATOM 0 HA TYR A 34 9.365 3.840 4.731 1.00 0.00 H new ATOM 0 HB2 TYR A 34 8.894 5.752 6.795 1.00 0.00 H new ATOM 0 HB3 TYR A 34 8.774 4.167 7.533 1.00 0.00 H new ATOM 0 HD1 TYR A 34 10.723 2.503 7.094 1.00 0.00 H new ATOM 0 HD2 TYR A 34 11.018 6.688 6.343 1.00 0.00 H new ATOM 0 HE1 TYR A 34 13.173 2.340 7.152 1.00 0.00 H new ATOM 0 HE2 TYR A 34 13.469 6.525 6.396 1.00 0.00 H new ATOM 0 HH TYR A 34 15.229 5.217 6.652 1.00 0.00 H new ATOM 566 N ALA A 35 6.419 3.233 6.038 1.00 0.00 N ATOM 567 CA ALA A 35 5.464 2.176 6.340 1.00 0.00 C ATOM 568 C ALA A 35 5.234 1.325 5.102 1.00 0.00 C ATOM 569 O ALA A 35 5.187 0.095 5.173 1.00 0.00 O ATOM 570 CB ALA A 35 4.153 2.768 6.835 1.00 0.00 C ATOM 0 H ALA A 35 6.039 4.177 6.100 1.00 0.00 H new ATOM 0 HA ALA A 35 5.870 1.546 7.131 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.451 1.964 7.056 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.335 3.350 7.739 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.733 3.415 6.065 1.00 0.00 H new ATOM 576 N CYS A 36 5.115 1.994 3.960 1.00 0.00 N ATOM 577 CA CYS A 36 4.914 1.317 2.693 1.00 0.00 C ATOM 578 C CYS A 36 6.032 0.316 2.461 1.00 0.00 C ATOM 579 O CYS A 36 5.790 -0.854 2.172 1.00 0.00 O ATOM 580 CB CYS A 36 4.889 2.326 1.547 1.00 0.00 C ATOM 581 SG CYS A 36 4.076 3.906 1.948 1.00 0.00 S ATOM 0 H CYS A 36 5.155 3.011 3.891 1.00 0.00 H new ATOM 0 HA CYS A 36 3.958 0.795 2.726 1.00 0.00 H new ATOM 0 HB2 CYS A 36 5.914 2.528 1.236 1.00 0.00 H new ATOM 0 HB3 CYS A 36 4.380 1.876 0.695 1.00 0.00 H new ATOM 586 N ASP A 37 7.262 0.798 2.594 1.00 0.00 N ATOM 587 CA ASP A 37 8.439 -0.037 2.406 1.00 0.00 C ATOM 588 C ASP A 37 8.398 -1.249 3.333 1.00 0.00 C ATOM 589 O ASP A 37 8.921 -2.314 3.002 1.00 0.00 O ATOM 590 CB ASP A 37 9.711 0.773 2.660 1.00 0.00 C ATOM 591 CG ASP A 37 10.770 0.532 1.602 1.00 0.00 C ATOM 592 OD1 ASP A 37 10.518 0.862 0.424 1.00 0.00 O ATOM 593 OD2 ASP A 37 11.851 0.014 1.951 1.00 0.00 O ATOM 0 H ASP A 37 7.469 1.768 2.833 1.00 0.00 H new ATOM 0 HA ASP A 37 8.443 -0.390 1.375 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.463 1.834 2.687 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.114 0.514 3.639 1.00 0.00 H new ATOM 598 N ASP A 38 7.772 -1.079 4.494 1.00 0.00 N ATOM 599 CA ASP A 38 7.658 -2.157 5.467 1.00 0.00 C ATOM 600 C ASP A 38 6.705 -3.238 4.967 1.00 0.00 C ATOM 601 O ASP A 38 6.832 -4.408 5.328 1.00 0.00 O ATOM 602 CB ASP A 38 7.172 -1.612 6.812 1.00 0.00 C ATOM 603 CG ASP A 38 8.048 -2.056 7.967 1.00 0.00 C ATOM 604 OD1 ASP A 38 7.935 -3.229 8.382 1.00 0.00 O ATOM 605 OD2 ASP A 38 8.848 -1.230 8.456 1.00 0.00 O ATOM 0 H ASP A 38 7.336 -0.203 4.783 1.00 0.00 H new ATOM 0 HA ASP A 38 8.645 -2.600 5.601 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.151 -0.523 6.773 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.149 -1.944 6.987 1.00 0.00 H new ATOM 610 N MET A 39 5.755 -2.837 4.128 1.00 0.00 N ATOM 611 CA MET A 39 4.783 -3.767 3.569 1.00 0.00 C ATOM 612 C MET A 39 5.139 -4.105 2.126 1.00 0.00 C ATOM 613 O MET A 39 4.432 -4.860 1.459 1.00 0.00 O ATOM 614 CB MET A 39 3.375 -3.176 3.640 1.00 0.00 C ATOM 615 CG MET A 39 2.807 -3.123 5.049 1.00 0.00 C ATOM 616 SD MET A 39 2.642 -4.757 5.794 1.00 0.00 S ATOM 617 CE MET A 39 2.900 -4.369 7.523 1.00 0.00 C ATOM 0 H MET A 39 5.638 -1.872 3.820 1.00 0.00 H new ATOM 0 HA MET A 39 4.806 -4.684 4.158 1.00 0.00 H new ATOM 0 HB2 MET A 39 3.392 -2.168 3.226 1.00 0.00 H new ATOM 0 HB3 MET A 39 2.710 -3.768 3.011 1.00 0.00 H new ATOM 0 HG2 MET A 39 3.453 -2.507 5.674 1.00 0.00 H new ATOM 0 HG3 MET A 39 1.831 -2.639 5.025 1.00 0.00 H new ATOM 0 HE1 MET A 39 2.459 -5.151 8.141 1.00 0.00 H new ATOM 0 HE2 MET A 39 3.969 -4.305 7.726 1.00 0.00 H new ATOM 0 HE3 MET A 39 2.429 -3.414 7.756 1.00 0.00 H new ATOM 627 N GLU A 40 6.249 -3.538 1.662 1.00 0.00 N ATOM 628 CA GLU A 40 6.735 -3.764 0.303 1.00 0.00 C ATOM 629 C GLU A 40 5.803 -3.156 -0.742 1.00 0.00 C ATOM 630 O GLU A 40 5.677 -3.679 -1.849 1.00 0.00 O ATOM 631 CB GLU A 40 6.911 -5.261 0.040 1.00 0.00 C ATOM 632 CG GLU A 40 8.272 -5.797 0.451 1.00 0.00 C ATOM 633 CD GLU A 40 8.757 -6.911 -0.457 1.00 0.00 C ATOM 634 OE1 GLU A 40 9.224 -6.606 -1.574 1.00 0.00 O ATOM 635 OE2 GLU A 40 8.671 -8.089 -0.048 1.00 0.00 O ATOM 0 H GLU A 40 6.835 -2.912 2.214 1.00 0.00 H new ATOM 0 HA GLU A 40 7.702 -3.268 0.217 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.137 -5.809 0.578 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.760 -5.455 -1.022 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.997 -4.983 0.441 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.219 -6.165 1.476 1.00 0.00 H new ATOM 642 N GLY A 41 5.162 -2.045 -0.392 1.00 0.00 N ATOM 643 CA GLY A 41 4.265 -1.385 -1.321 1.00 0.00 C ATOM 644 C GLY A 41 4.806 -0.053 -1.793 1.00 0.00 C ATOM 645 O GLY A 41 5.940 0.031 -2.267 1.00 0.00 O ATOM 0 H GLY A 41 5.248 -1.591 0.517 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.097 -2.032 -2.182 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.297 -1.233 -0.843 1.00 0.00 H new ATOM 649 N GLN A 42 3.992 0.985 -1.679 1.00 0.00 N ATOM 650 CA GLN A 42 4.385 2.318 -2.112 1.00 0.00 C ATOM 651 C GLN A 42 3.486 3.338 -1.456 1.00 0.00 C ATOM 652 O GLN A 42 2.380 3.003 -1.043 1.00 0.00 O ATOM 653 CB GLN A 42 4.264 2.441 -3.631 1.00 0.00 C ATOM 654 CG GLN A 42 4.513 3.848 -4.153 1.00 0.00 C ATOM 655 CD GLN A 42 5.983 4.221 -4.147 1.00 0.00 C ATOM 656 OE1 GLN A 42 6.856 3.354 -4.117 1.00 0.00 O ATOM 657 NE2 GLN A 42 6.263 5.519 -4.177 1.00 0.00 N ATOM 0 H GLN A 42 3.051 0.930 -1.289 1.00 0.00 H new ATOM 0 HA GLN A 42 5.422 2.493 -1.825 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.973 1.759 -4.099 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.267 2.122 -3.934 1.00 0.00 H new ATOM 0 HG2 GLN A 42 4.126 3.928 -5.169 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.959 4.561 -3.543 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.507 6.203 -4.201 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.234 5.831 -4.176 1.00 0.00 H new ATOM 666 N LEU A 43 3.916 4.584 -1.372 1.00 0.00 N ATOM 667 CA LEU A 43 3.050 5.565 -0.780 1.00 0.00 C ATOM 668 C LEU A 43 1.999 5.905 -1.819 1.00 0.00 C ATOM 669 O LEU A 43 2.299 6.469 -2.872 1.00 0.00 O ATOM 670 CB LEU A 43 3.848 6.810 -0.366 1.00 0.00 C ATOM 671 CG LEU A 43 3.241 7.674 0.750 1.00 0.00 C ATOM 672 CD1 LEU A 43 2.516 6.829 1.775 1.00 0.00 C ATOM 673 CD2 LEU A 43 4.323 8.495 1.428 1.00 0.00 C ATOM 0 H LEU A 43 4.822 4.923 -1.694 1.00 0.00 H new ATOM 0 HA LEU A 43 2.580 5.180 0.125 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.840 6.489 -0.048 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.983 7.437 -1.247 1.00 0.00 H new ATOM 0 HG LEU A 43 2.514 8.344 0.291 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.100 7.474 2.549 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.710 6.279 1.289 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.215 6.125 2.226 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.879 9.102 2.217 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.069 7.828 1.860 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.800 9.145 0.694 1.00 0.00 H new ATOM 685 N VAL A 44 0.776 5.508 -1.499 1.00 0.00 N ATOM 686 CA VAL A 44 -0.393 5.684 -2.354 1.00 0.00 C ATOM 687 C VAL A 44 -0.119 6.493 -3.611 1.00 0.00 C ATOM 688 O VAL A 44 0.000 5.936 -4.703 1.00 0.00 O ATOM 689 CB VAL A 44 -1.537 6.338 -1.576 1.00 0.00 C ATOM 690 CG1 VAL A 44 -2.713 5.389 -1.486 1.00 0.00 C ATOM 691 CG2 VAL A 44 -1.065 6.749 -0.193 1.00 0.00 C ATOM 0 H VAL A 44 0.562 5.043 -0.617 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.673 4.680 -2.674 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.859 7.235 -2.105 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.522 5.864 -0.931 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.058 5.142 -2.490 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.407 4.478 -0.973 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.889 7.213 0.350 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.722 5.869 0.351 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.245 7.461 -0.285 1.00 0.00 H new ATOM 701 N SER A 45 -0.051 7.804 -3.453 1.00 0.00 N ATOM 702 CA SER A 45 0.178 8.699 -4.582 1.00 0.00 C ATOM 703 C SER A 45 -0.998 8.614 -5.544 1.00 0.00 C ATOM 704 O SER A 45 -0.834 8.318 -6.729 1.00 0.00 O ATOM 705 CB SER A 45 1.478 8.338 -5.303 1.00 0.00 C ATOM 706 OG SER A 45 2.145 9.500 -5.761 1.00 0.00 O ATOM 0 H SER A 45 -0.151 8.276 -2.554 1.00 0.00 H new ATOM 0 HA SER A 45 0.268 9.720 -4.210 1.00 0.00 H new ATOM 0 HB2 SER A 45 2.130 7.783 -4.629 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.260 7.683 -6.147 1.00 0.00 H new ATOM 0 HG SER A 45 2.667 9.888 -5.028 1.00 0.00 H new ATOM 712 N ILE A 46 -2.190 8.858 -5.011 1.00 0.00 N ATOM 713 CA ILE A 46 -3.419 8.796 -5.794 1.00 0.00 C ATOM 714 C ILE A 46 -3.314 9.619 -7.071 1.00 0.00 C ATOM 715 O ILE A 46 -2.747 10.712 -7.076 1.00 0.00 O ATOM 716 CB ILE A 46 -4.649 9.276 -4.990 1.00 0.00 C ATOM 717 CG1 ILE A 46 -4.229 9.912 -3.657 1.00 0.00 C ATOM 718 CG2 ILE A 46 -5.613 8.120 -4.763 1.00 0.00 C ATOM 719 CD1 ILE A 46 -3.931 8.912 -2.558 1.00 0.00 C ATOM 0 H ILE A 46 -2.332 9.103 -4.031 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.555 7.745 -6.051 1.00 0.00 H new ATOM 0 HB ILE A 46 -5.159 10.044 -5.572 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.344 10.526 -3.823 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.022 10.580 -3.320 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.475 8.471 -4.196 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -5.946 7.730 -5.725 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -5.109 7.330 -4.206 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.642 9.443 -1.651 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.820 8.313 -2.360 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.116 8.259 -2.871 1.00 0.00 H new ATOM 731 N HIS A 47 -3.866 9.079 -8.153 1.00 0.00 N ATOM 732 CA HIS A 47 -3.842 9.751 -9.444 1.00 0.00 C ATOM 733 C HIS A 47 -5.239 9.798 -10.053 1.00 0.00 C ATOM 734 O HIS A 47 -5.439 10.365 -11.127 1.00 0.00 O ATOM 735 CB HIS A 47 -2.886 9.035 -10.397 1.00 0.00 C ATOM 736 CG HIS A 47 -3.049 7.546 -10.402 1.00 0.00 C ATOM 737 ND1 HIS A 47 -3.923 6.887 -11.241 1.00 0.00 N ATOM 738 CD2 HIS A 47 -2.443 6.585 -9.664 1.00 0.00 C ATOM 739 CE1 HIS A 47 -3.849 5.586 -11.018 1.00 0.00 C ATOM 740 NE2 HIS A 47 -2.956 5.378 -10.067 1.00 0.00 N ATOM 0 H HIS A 47 -4.337 8.174 -8.159 1.00 0.00 H new ATOM 0 HA HIS A 47 -3.493 10.772 -9.289 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.043 9.413 -11.407 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -1.860 9.279 -10.121 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.695 6.740 -8.900 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -4.421 4.824 -11.526 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -2.691 4.467 -9.693 1.00 0.00 H new ATOM 749 N SER A 48 -6.202 9.200 -9.358 1.00 0.00 N ATOM 750 CA SER A 48 -7.578 9.178 -9.829 1.00 0.00 C ATOM 751 C SER A 48 -8.495 9.843 -8.816 1.00 0.00 C ATOM 752 O SER A 48 -8.558 9.425 -7.662 1.00 0.00 O ATOM 753 CB SER A 48 -8.030 7.739 -10.081 1.00 0.00 C ATOM 754 OG SER A 48 -8.865 7.659 -11.222 1.00 0.00 O ATOM 0 H SER A 48 -6.053 8.725 -8.468 1.00 0.00 H new ATOM 0 HA SER A 48 -7.631 9.732 -10.766 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.158 7.100 -10.219 1.00 0.00 H new ATOM 0 HB3 SER A 48 -8.565 7.364 -9.208 1.00 0.00 H new ATOM 0 HG SER A 48 -9.139 6.729 -11.362 1.00 0.00 H new ATOM 760 N PRO A 49 -9.227 10.893 -9.233 1.00 0.00 N ATOM 761 CA PRO A 49 -10.146 11.603 -8.347 1.00 0.00 C ATOM 762 C PRO A 49 -11.014 10.636 -7.555 1.00 0.00 C ATOM 763 O PRO A 49 -11.431 10.929 -6.434 1.00 0.00 O ATOM 764 CB PRO A 49 -10.989 12.433 -9.313 1.00 0.00 C ATOM 765 CG PRO A 49 -10.081 12.690 -10.466 1.00 0.00 C ATOM 766 CD PRO A 49 -9.220 11.462 -10.595 1.00 0.00 C ATOM 0 HA PRO A 49 -9.632 12.205 -7.598 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -11.884 11.894 -9.624 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -11.321 13.364 -8.853 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -10.650 12.866 -11.379 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.472 13.578 -10.293 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.626 10.762 -11.325 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -8.210 11.712 -10.921 1.00 0.00 H new ATOM 774 N GLU A 50 -11.265 9.469 -8.144 1.00 0.00 N ATOM 775 CA GLU A 50 -12.062 8.442 -7.494 1.00 0.00 C ATOM 776 C GLU A 50 -11.278 7.789 -6.371 1.00 0.00 C ATOM 777 O GLU A 50 -11.797 7.589 -5.275 1.00 0.00 O ATOM 778 CB GLU A 50 -12.493 7.373 -8.495 1.00 0.00 C ATOM 779 CG GLU A 50 -13.183 6.187 -7.846 1.00 0.00 C ATOM 780 CD GLU A 50 -13.109 4.932 -8.696 1.00 0.00 C ATOM 781 OE1 GLU A 50 -12.020 4.323 -8.761 1.00 0.00 O ATOM 782 OE2 GLU A 50 -14.140 4.560 -9.295 1.00 0.00 O ATOM 0 H GLU A 50 -10.926 9.215 -9.072 1.00 0.00 H new ATOM 0 HA GLU A 50 -12.950 8.923 -7.083 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -13.166 7.820 -9.227 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.617 7.021 -9.040 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.726 5.992 -6.876 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -14.228 6.436 -7.662 1.00 0.00 H new ATOM 789 N GLU A 51 -10.028 7.446 -6.659 1.00 0.00 N ATOM 790 CA GLU A 51 -9.174 6.804 -5.680 1.00 0.00 C ATOM 791 C GLU A 51 -8.938 7.726 -4.491 1.00 0.00 C ATOM 792 O GLU A 51 -9.065 7.311 -3.340 1.00 0.00 O ATOM 793 CB GLU A 51 -7.846 6.397 -6.318 1.00 0.00 C ATOM 794 CG GLU A 51 -7.960 5.198 -7.246 1.00 0.00 C ATOM 795 CD GLU A 51 -7.900 3.877 -6.503 1.00 0.00 C ATOM 796 OE1 GLU A 51 -8.962 3.406 -6.044 1.00 0.00 O ATOM 797 OE2 GLU A 51 -6.792 3.316 -6.379 1.00 0.00 O ATOM 0 H GLU A 51 -9.587 7.604 -7.565 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.674 5.904 -5.321 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.447 7.243 -6.878 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.128 6.169 -5.530 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.898 5.258 -7.797 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.156 5.234 -7.981 1.00 0.00 H new ATOM 804 N GLN A 52 -8.611 8.985 -4.773 1.00 0.00 N ATOM 805 CA GLN A 52 -8.380 9.961 -3.719 1.00 0.00 C ATOM 806 C GLN A 52 -9.629 10.089 -2.857 1.00 0.00 C ATOM 807 O GLN A 52 -9.551 10.164 -1.633 1.00 0.00 O ATOM 808 CB GLN A 52 -7.982 11.321 -4.312 1.00 0.00 C ATOM 809 CG GLN A 52 -9.160 12.231 -4.629 1.00 0.00 C ATOM 810 CD GLN A 52 -9.395 13.292 -3.567 1.00 0.00 C ATOM 811 OE1 GLN A 52 -10.017 14.321 -3.832 1.00 0.00 O ATOM 812 NE2 GLN A 52 -8.898 13.051 -2.358 1.00 0.00 N ATOM 0 H GLN A 52 -8.501 9.349 -5.719 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.555 9.619 -3.095 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.321 11.831 -3.611 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.410 11.154 -5.225 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.988 12.718 -5.589 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.061 11.626 -4.736 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.388 12.186 -2.179 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -9.026 13.731 -1.609 1.00 0.00 H new ATOM 821 N ASP A 53 -10.782 10.080 -3.517 1.00 0.00 N ATOM 822 CA ASP A 53 -12.066 10.159 -2.844 1.00 0.00 C ATOM 823 C ASP A 53 -12.322 8.863 -2.092 1.00 0.00 C ATOM 824 O ASP A 53 -12.936 8.853 -1.027 1.00 0.00 O ATOM 825 CB ASP A 53 -13.186 10.414 -3.853 1.00 0.00 C ATOM 826 CG ASP A 53 -14.482 10.834 -3.186 1.00 0.00 C ATOM 827 OD1 ASP A 53 -15.187 9.951 -2.654 1.00 0.00 O ATOM 828 OD2 ASP A 53 -14.790 12.043 -3.196 1.00 0.00 O ATOM 0 H ASP A 53 -10.849 10.018 -4.533 1.00 0.00 H new ATOM 0 HA ASP A 53 -12.047 10.990 -2.138 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -12.872 11.190 -4.551 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -13.358 9.510 -4.437 1.00 0.00 H new ATOM 833 N PHE A 54 -11.853 7.768 -2.678 1.00 0.00 N ATOM 834 CA PHE A 54 -12.020 6.445 -2.108 1.00 0.00 C ATOM 835 C PHE A 54 -11.386 6.371 -0.725 1.00 0.00 C ATOM 836 O PHE A 54 -12.026 5.963 0.245 1.00 0.00 O ATOM 837 CB PHE A 54 -11.354 5.430 -3.033 1.00 0.00 C ATOM 838 CG PHE A 54 -12.296 4.428 -3.621 1.00 0.00 C ATOM 839 CD1 PHE A 54 -13.128 4.780 -4.668 1.00 0.00 C ATOM 840 CD2 PHE A 54 -12.342 3.136 -3.133 1.00 0.00 C ATOM 841 CE1 PHE A 54 -13.993 3.859 -5.221 1.00 0.00 C ATOM 842 CE2 PHE A 54 -13.207 2.207 -3.679 1.00 0.00 C ATOM 843 CZ PHE A 54 -14.034 2.569 -4.726 1.00 0.00 C ATOM 0 H PHE A 54 -11.346 7.777 -3.563 1.00 0.00 H new ATOM 0 HA PHE A 54 -13.083 6.227 -2.008 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -10.857 5.964 -3.843 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -10.579 4.902 -2.477 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -13.100 5.787 -5.057 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -11.695 2.849 -2.317 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -14.637 4.145 -6.039 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -13.237 1.200 -3.289 1.00 0.00 H new ATOM 0 HZ PHE A 54 -14.711 1.846 -5.156 1.00 0.00 H new ATOM 853 N LEU A 55 -10.133 6.795 -0.639 1.00 0.00 N ATOM 854 CA LEU A 55 -9.414 6.809 0.626 1.00 0.00 C ATOM 855 C LEU A 55 -9.925 7.934 1.504 1.00 0.00 C ATOM 856 O LEU A 55 -9.953 7.823 2.727 1.00 0.00 O ATOM 857 CB LEU A 55 -7.919 6.984 0.400 1.00 0.00 C ATOM 858 CG LEU A 55 -7.550 7.863 -0.785 1.00 0.00 C ATOM 859 CD1 LEU A 55 -6.915 9.153 -0.306 1.00 0.00 C ATOM 860 CD2 LEU A 55 -6.621 7.113 -1.720 1.00 0.00 C ATOM 0 H LEU A 55 -9.592 7.135 -1.434 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.584 5.853 1.121 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.477 7.410 1.301 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.470 6.001 0.259 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.456 8.117 -1.335 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.656 9.772 -1.165 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.618 9.691 0.330 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.013 8.925 0.262 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.363 7.751 -2.565 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.713 6.835 -1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.118 6.214 -2.083 1.00 0.00 H new ATOM 872 N THR A 56 -10.321 9.024 0.858 1.00 0.00 N ATOM 873 CA THR A 56 -10.830 10.190 1.558 1.00 0.00 C ATOM 874 C THR A 56 -12.077 9.818 2.350 1.00 0.00 C ATOM 875 O THR A 56 -12.233 10.209 3.507 1.00 0.00 O ATOM 876 CB THR A 56 -11.128 11.308 0.547 1.00 0.00 C ATOM 877 OG1 THR A 56 -10.196 12.366 0.676 1.00 0.00 O ATOM 878 CG2 THR A 56 -12.513 11.904 0.669 1.00 0.00 C ATOM 0 H THR A 56 -10.298 9.122 -0.157 1.00 0.00 H new ATOM 0 HA THR A 56 -10.080 10.552 2.261 1.00 0.00 H new ATOM 0 HB THR A 56 -11.054 10.823 -0.426 1.00 0.00 H new ATOM 0 HG1 THR A 56 -10.403 13.066 0.022 1.00 0.00 H new ATOM 0 HG21 THR A 56 -12.640 12.685 -0.081 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.259 11.125 0.512 1.00 0.00 H new ATOM 0 HG23 THR A 56 -12.639 12.332 1.664 1.00 0.00 H new ATOM 886 N LYS A 57 -12.947 9.037 1.724 1.00 0.00 N ATOM 887 CA LYS A 57 -14.166 8.582 2.368 1.00 0.00 C ATOM 888 C LYS A 57 -13.826 7.508 3.389 1.00 0.00 C ATOM 889 O LYS A 57 -14.449 7.414 4.447 1.00 0.00 O ATOM 890 CB LYS A 57 -15.150 8.034 1.332 1.00 0.00 C ATOM 891 CG LYS A 57 -16.579 8.509 1.539 1.00 0.00 C ATOM 892 CD LYS A 57 -17.116 9.212 0.303 1.00 0.00 C ATOM 893 CE LYS A 57 -16.831 10.704 0.341 1.00 0.00 C ATOM 894 NZ LYS A 57 -17.771 11.427 1.242 1.00 0.00 N ATOM 0 H LYS A 57 -12.828 8.706 0.767 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.638 9.425 2.872 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.818 8.329 0.337 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.130 6.945 1.365 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -17.215 7.658 1.780 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -16.618 9.188 2.391 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -16.665 8.777 -0.589 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -18.191 9.048 0.228 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -15.807 10.869 0.677 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -16.906 11.114 -0.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -17.543 12.442 1.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -18.746 11.291 0.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -17.681 11.054 2.209 1.00 0.00 H new ATOM 907 N HIS A 58 -12.817 6.707 3.060 1.00 0.00 N ATOM 908 CA HIS A 58 -12.365 5.639 3.937 1.00 0.00 C ATOM 909 C HIS A 58 -11.692 6.217 5.178 1.00 0.00 C ATOM 910 O HIS A 58 -11.723 5.613 6.251 1.00 0.00 O ATOM 911 CB HIS A 58 -11.389 4.727 3.196 1.00 0.00 C ATOM 912 CG HIS A 58 -11.781 3.282 3.226 1.00 0.00 C ATOM 913 ND1 HIS A 58 -12.657 2.721 2.321 1.00 0.00 N ATOM 914 CD2 HIS A 58 -11.411 2.280 4.059 1.00 0.00 C ATOM 915 CE1 HIS A 58 -12.809 1.438 2.596 1.00 0.00 C ATOM 916 NE2 HIS A 58 -12.063 1.145 3.645 1.00 0.00 N ATOM 0 H HIS A 58 -12.296 6.781 2.186 1.00 0.00 H new ATOM 0 HA HIS A 58 -13.233 5.057 4.247 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -11.315 5.054 2.159 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -10.398 4.835 3.636 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -10.730 2.359 4.893 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -13.437 0.746 2.055 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -11.984 0.225 4.078 1.00 0.00 H new ATOM 925 N ALA A 59 -11.081 7.390 5.023 1.00 0.00 N ATOM 926 CA ALA A 59 -10.399 8.046 6.132 1.00 0.00 C ATOM 927 C ALA A 59 -11.398 8.607 7.139 1.00 0.00 C ATOM 928 O ALA A 59 -11.837 9.751 7.021 1.00 0.00 O ATOM 929 CB ALA A 59 -9.491 9.150 5.614 1.00 0.00 C ATOM 0 H ALA A 59 -11.045 7.903 4.142 1.00 0.00 H new ATOM 0 HA ALA A 59 -9.790 7.300 6.643 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.988 9.631 6.453 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -8.747 8.723 4.941 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -10.086 9.888 5.076 1.00 0.00 H new ATOM 935 N SER A 60 -11.749 7.794 8.130 1.00 0.00 N ATOM 936 CA SER A 60 -12.694 8.209 9.160 1.00 0.00 C ATOM 937 C SER A 60 -12.040 9.185 10.132 1.00 0.00 C ATOM 938 O SER A 60 -10.982 8.900 10.691 1.00 0.00 O ATOM 939 CB SER A 60 -13.222 6.991 9.920 1.00 0.00 C ATOM 940 OG SER A 60 -12.245 5.965 9.981 1.00 0.00 O ATOM 0 H SER A 60 -11.393 6.845 8.241 1.00 0.00 H new ATOM 0 HA SER A 60 -13.529 8.712 8.672 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.509 7.285 10.930 1.00 0.00 H new ATOM 0 HB3 SER A 60 -14.120 6.614 9.430 1.00 0.00 H new ATOM 0 HG SER A 60 -12.606 5.198 10.473 1.00 0.00 H new ATOM 946 N HIS A 61 -12.679 10.338 10.324 1.00 0.00 N ATOM 947 CA HIS A 61 -12.166 11.366 11.226 1.00 0.00 C ATOM 948 C HIS A 61 -10.822 11.903 10.737 1.00 0.00 C ATOM 949 O HIS A 61 -10.762 12.945 10.083 1.00 0.00 O ATOM 950 CB HIS A 61 -12.026 10.813 12.647 1.00 0.00 C ATOM 951 CG HIS A 61 -13.195 11.126 13.528 1.00 0.00 C ATOM 952 ND1 HIS A 61 -13.980 12.249 13.368 1.00 0.00 N ATOM 953 CD2 HIS A 61 -13.715 10.454 14.583 1.00 0.00 C ATOM 954 CE1 HIS A 61 -14.929 12.256 14.288 1.00 0.00 C ATOM 955 NE2 HIS A 61 -14.791 11.177 15.037 1.00 0.00 N ATOM 0 H HIS A 61 -13.556 10.583 9.865 1.00 0.00 H new ATOM 0 HA HIS A 61 -12.881 12.189 11.237 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -11.899 9.732 12.596 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -11.121 11.220 13.099 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -13.351 9.523 14.991 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -15.688 13.015 14.407 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -15.387 10.922 15.825 1.00 0.00 H new ATOM 964 N THR A 62 -9.749 11.188 11.060 1.00 0.00 N ATOM 965 CA THR A 62 -8.407 11.595 10.653 1.00 0.00 C ATOM 966 C THR A 62 -8.270 11.589 9.133 1.00 0.00 C ATOM 967 O THR A 62 -9.185 11.180 8.419 1.00 0.00 O ATOM 968 CB THR A 62 -7.362 10.667 11.275 1.00 0.00 C ATOM 969 OG1 THR A 62 -7.569 9.329 10.861 1.00 0.00 O ATOM 970 CG2 THR A 62 -7.369 10.686 12.788 1.00 0.00 C ATOM 0 H THR A 62 -9.782 10.324 11.602 1.00 0.00 H new ATOM 0 HA THR A 62 -8.240 12.612 11.008 1.00 0.00 H new ATOM 0 HB THR A 62 -6.400 11.043 10.928 1.00 0.00 H new ATOM 0 HG1 THR A 62 -6.890 8.752 11.268 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.604 10.006 13.164 1.00 0.00 H new ATOM 0 HG22 THR A 62 -7.161 11.696 13.140 1.00 0.00 H new ATOM 0 HG23 THR A 62 -8.347 10.369 13.151 1.00 0.00 H new ATOM 978 N GLY A 63 -7.120 12.047 8.648 1.00 0.00 N ATOM 979 CA GLY A 63 -6.880 12.089 7.217 1.00 0.00 C ATOM 980 C GLY A 63 -6.063 10.909 6.728 1.00 0.00 C ATOM 981 O GLY A 63 -5.934 9.903 7.425 1.00 0.00 O ATOM 0 H GLY A 63 -6.349 12.390 9.221 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.835 12.107 6.692 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.361 13.014 6.966 1.00 0.00 H new ATOM 985 N SER A 64 -5.511 11.035 5.525 1.00 0.00 N ATOM 986 CA SER A 64 -4.703 9.971 4.939 1.00 0.00 C ATOM 987 C SER A 64 -3.422 10.532 4.329 1.00 0.00 C ATOM 988 O SER A 64 -3.377 11.686 3.904 1.00 0.00 O ATOM 989 CB SER A 64 -5.506 9.227 3.871 1.00 0.00 C ATOM 990 OG SER A 64 -5.317 9.808 2.592 1.00 0.00 O ATOM 0 H SER A 64 -5.608 11.863 4.937 1.00 0.00 H new ATOM 0 HA SER A 64 -4.430 9.275 5.733 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.202 8.180 3.847 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.565 9.246 4.129 1.00 0.00 H new ATOM 0 HG SER A 64 -6.188 9.967 2.173 1.00 0.00 H new ATOM 996 N TRP A 65 -2.385 9.700 4.276 1.00 0.00 N ATOM 997 CA TRP A 65 -1.106 10.105 3.705 1.00 0.00 C ATOM 998 C TRP A 65 -1.006 9.613 2.274 1.00 0.00 C ATOM 999 O TRP A 65 -1.300 8.456 1.989 1.00 0.00 O ATOM 1000 CB TRP A 65 0.053 9.543 4.530 1.00 0.00 C ATOM 1001 CG TRP A 65 0.465 10.430 5.666 1.00 0.00 C ATOM 1002 CD1 TRP A 65 0.853 11.736 5.590 1.00 0.00 C ATOM 1003 CD2 TRP A 65 0.534 10.070 7.051 1.00 0.00 C ATOM 1004 NE1 TRP A 65 1.156 12.211 6.844 1.00 0.00 N ATOM 1005 CE2 TRP A 65 0.967 11.208 7.756 1.00 0.00 C ATOM 1006 CE3 TRP A 65 0.270 8.898 7.763 1.00 0.00 C ATOM 1007 CZ2 TRP A 65 1.140 11.206 9.137 1.00 0.00 C ATOM 1008 CZ3 TRP A 65 0.442 8.897 9.134 1.00 0.00 C ATOM 1009 CH2 TRP A 65 0.873 10.045 9.809 1.00 0.00 C ATOM 0 H TRP A 65 -2.407 8.741 4.622 1.00 0.00 H new ATOM 0 HA TRP A 65 -1.046 11.193 3.719 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -0.233 8.568 4.926 1.00 0.00 H new ATOM 0 HB3 TRP A 65 0.910 9.383 3.876 1.00 0.00 H new ATOM 0 HD1 TRP A 65 0.913 12.312 4.678 1.00 0.00 H new ATOM 0 HE1 TRP A 65 1.471 13.157 7.060 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -0.063 8.007 7.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 1.473 12.090 9.660 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 0.241 7.996 9.694 1.00 0.00 H new ATOM 0 HH2 TRP A 65 0.997 10.013 10.881 1.00 0.00 H new ATOM 1020 N ILE A 66 -0.600 10.495 1.375 1.00 0.00 N ATOM 1021 CA ILE A 66 -0.477 10.137 -0.030 1.00 0.00 C ATOM 1022 C ILE A 66 0.967 10.203 -0.496 1.00 0.00 C ATOM 1023 O ILE A 66 1.828 10.742 0.193 1.00 0.00 O ATOM 1024 CB ILE A 66 -1.340 11.039 -0.928 1.00 0.00 C ATOM 1025 CG1 ILE A 66 -0.640 12.377 -1.168 1.00 0.00 C ATOM 1026 CG2 ILE A 66 -2.712 11.243 -0.299 1.00 0.00 C ATOM 1027 CD1 ILE A 66 -1.560 13.462 -1.675 1.00 0.00 C ATOM 0 H ILE A 66 -0.351 11.460 1.591 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.834 9.111 -0.118 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.476 10.553 -1.894 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.180 12.709 -0.237 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.166 12.231 -1.887 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.316 11.883 -0.942 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.205 10.278 -0.181 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.598 11.714 0.677 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.993 14.381 -1.822 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.000 13.152 -2.623 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.352 13.637 -0.947 1.00 0.00 H new ATOM 1039 N GLY A 67 1.216 9.643 -1.670 1.00 0.00 N ATOM 1040 CA GLY A 67 2.552 9.636 -2.227 1.00 0.00 C ATOM 1041 C GLY A 67 2.953 10.976 -2.811 1.00 0.00 C ATOM 1042 O GLY A 67 3.336 11.057 -3.977 1.00 0.00 O ATOM 0 H GLY A 67 0.510 9.190 -2.251 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.263 9.356 -1.450 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.613 8.874 -3.004 1.00 0.00 H new ATOM 1046 N LEU A 68 2.870 12.029 -2.004 1.00 0.00 N ATOM 1047 CA LEU A 68 3.234 13.363 -2.464 1.00 0.00 C ATOM 1048 C LEU A 68 4.278 14.011 -1.560 1.00 0.00 C ATOM 1049 O LEU A 68 4.091 14.129 -0.350 1.00 0.00 O ATOM 1050 CB LEU A 68 1.995 14.261 -2.540 1.00 0.00 C ATOM 1051 CG LEU A 68 2.155 15.525 -3.392 1.00 0.00 C ATOM 1052 CD1 LEU A 68 3.043 16.546 -2.697 1.00 0.00 C ATOM 1053 CD2 LEU A 68 2.718 15.175 -4.755 1.00 0.00 C ATOM 0 H LEU A 68 2.556 11.985 -1.035 1.00 0.00 H new ATOM 0 HA LEU A 68 3.667 13.252 -3.458 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.166 13.676 -2.939 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.718 14.557 -1.528 1.00 0.00 H new ATOM 0 HG LEU A 68 1.169 15.971 -3.524 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.139 17.432 -3.325 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.598 16.824 -1.741 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.029 16.114 -2.526 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.826 16.083 -5.348 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.693 14.702 -4.636 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.041 14.488 -5.263 1.00 0.00 H new ATOM 1065 N ARG A 69 5.359 14.464 -2.181 1.00 0.00 N ATOM 1066 CA ARG A 69 6.439 15.147 -1.482 1.00 0.00 C ATOM 1067 C ARG A 69 6.925 16.325 -2.324 1.00 0.00 C ATOM 1068 O ARG A 69 7.356 16.140 -3.461 1.00 0.00 O ATOM 1069 CB ARG A 69 7.590 14.177 -1.198 1.00 0.00 C ATOM 1070 CG ARG A 69 8.911 14.863 -0.889 1.00 0.00 C ATOM 1071 CD ARG A 69 9.990 14.466 -1.884 1.00 0.00 C ATOM 1072 NE ARG A 69 11.285 14.271 -1.238 1.00 0.00 N ATOM 1073 CZ ARG A 69 11.811 13.076 -0.987 1.00 0.00 C ATOM 1074 NH1 ARG A 69 11.155 11.974 -1.326 1.00 0.00 N ATOM 1075 NH2 ARG A 69 12.994 12.982 -0.396 1.00 0.00 N ATOM 0 H ARG A 69 5.512 14.368 -3.185 1.00 0.00 H new ATOM 0 HA ARG A 69 6.069 15.521 -0.527 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.317 13.541 -0.356 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.724 13.524 -2.061 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.775 15.944 -0.910 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.231 14.602 0.120 1.00 0.00 H new ATOM 0 HD2 ARG A 69 9.696 13.547 -2.391 1.00 0.00 H new ATOM 0 HD3 ARG A 69 10.079 15.237 -2.649 1.00 0.00 H new ATOM 0 HE ARG A 69 11.816 15.098 -0.964 1.00 0.00 H new ATOM 0 HH11 ARG A 69 10.244 12.042 -1.781 1.00 0.00 H new ATOM 0 HH12 ARG A 69 11.561 11.059 -1.132 1.00 0.00 H new ATOM 0 HH21 ARG A 69 13.501 13.827 -0.133 1.00 0.00 H new ATOM 0 HH22 ARG A 69 13.397 12.065 -0.204 1.00 0.00 H new ATOM 1089 N ASN A 70 6.857 17.533 -1.774 1.00 0.00 N ATOM 1090 CA ASN A 70 7.293 18.719 -2.506 1.00 0.00 C ATOM 1091 C ASN A 70 8.779 18.982 -2.283 1.00 0.00 C ATOM 1092 O ASN A 70 9.289 18.826 -1.174 1.00 0.00 O ATOM 1093 CB ASN A 70 6.465 19.940 -2.095 1.00 0.00 C ATOM 1094 CG ASN A 70 7.277 21.221 -2.082 1.00 0.00 C ATOM 1095 OD1 ASN A 70 7.510 21.812 -1.028 1.00 0.00 O ATOM 1096 ND2 ASN A 70 7.711 21.659 -3.259 1.00 0.00 N ATOM 0 H ASN A 70 6.508 17.717 -0.833 1.00 0.00 H new ATOM 0 HA ASN A 70 7.136 18.536 -3.569 1.00 0.00 H new ATOM 0 HB2 ASN A 70 5.627 20.053 -2.782 1.00 0.00 H new ATOM 0 HB3 ASN A 70 6.044 19.771 -1.104 1.00 0.00 H new ATOM 0 HD21 ASN A 70 8.260 22.517 -3.313 1.00 0.00 H new ATOM 0 HD22 ASN A 70 7.495 21.138 -4.109 1.00 0.00 H new ATOM 1103 N LEU A 71 9.469 19.379 -3.348 1.00 0.00 N ATOM 1104 CA LEU A 71 10.897 19.663 -3.275 1.00 0.00 C ATOM 1105 C LEU A 71 11.158 20.973 -2.539 1.00 0.00 C ATOM 1106 O LEU A 71 10.508 21.984 -2.803 1.00 0.00 O ATOM 1107 CB LEU A 71 11.498 19.728 -4.680 1.00 0.00 C ATOM 1108 CG LEU A 71 11.401 18.431 -5.485 1.00 0.00 C ATOM 1109 CD1 LEU A 71 11.184 18.733 -6.960 1.00 0.00 C ATOM 1110 CD2 LEU A 71 12.654 17.590 -5.290 1.00 0.00 C ATOM 0 H LEU A 71 9.061 19.511 -4.273 1.00 0.00 H new ATOM 0 HA LEU A 71 11.372 18.855 -2.719 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.999 20.521 -5.236 1.00 0.00 H new ATOM 0 HB3 LEU A 71 12.548 20.009 -4.597 1.00 0.00 H new ATOM 0 HG LEU A 71 10.545 17.863 -5.122 1.00 0.00 H new ATOM 0 HD11 LEU A 71 11.117 17.798 -7.517 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.259 19.296 -7.084 1.00 0.00 H new ATOM 0 HD13 LEU A 71 12.020 19.322 -7.338 1.00 0.00 H new ATOM 0 HD21 LEU A 71 12.569 16.671 -5.869 1.00 0.00 H new ATOM 0 HD22 LEU A 71 13.525 18.152 -5.627 1.00 0.00 H new ATOM 0 HD23 LEU A 71 12.767 17.344 -4.234 1.00 0.00 H new ATOM 1122 N ASP A 72 12.114 20.944 -1.614 1.00 0.00 N ATOM 1123 CA ASP A 72 12.470 22.124 -0.832 1.00 0.00 C ATOM 1124 C ASP A 72 11.267 22.652 -0.054 1.00 0.00 C ATOM 1125 O ASP A 72 11.025 22.244 1.082 1.00 0.00 O ATOM 1126 CB ASP A 72 13.030 23.219 -1.745 1.00 0.00 C ATOM 1127 CG ASP A 72 14.501 23.485 -1.493 1.00 0.00 C ATOM 1128 OD1 ASP A 72 15.290 22.517 -1.510 1.00 0.00 O ATOM 1129 OD2 ASP A 72 14.864 24.661 -1.281 1.00 0.00 O ATOM 0 H ASP A 72 12.658 20.112 -1.387 1.00 0.00 H new ATOM 0 HA ASP A 72 13.238 21.833 -0.115 1.00 0.00 H new ATOM 0 HB2 ASP A 72 12.889 22.928 -2.786 1.00 0.00 H new ATOM 0 HB3 ASP A 72 12.466 24.139 -1.593 1.00 0.00 H new ATOM 1134 N LEU A 73 10.517 23.562 -0.669 1.00 0.00 N ATOM 1135 CA LEU A 73 9.342 24.144 -0.031 1.00 0.00 C ATOM 1136 C LEU A 73 8.474 24.874 -1.050 1.00 0.00 C ATOM 1137 O LEU A 73 7.267 24.642 -1.133 1.00 0.00 O ATOM 1138 CB LEU A 73 9.766 25.110 1.079 1.00 0.00 C ATOM 1139 CG LEU A 73 10.983 25.978 0.753 1.00 0.00 C ATOM 1140 CD1 LEU A 73 10.656 27.450 0.952 1.00 0.00 C ATOM 1141 CD2 LEU A 73 12.170 25.572 1.614 1.00 0.00 C ATOM 0 H LEU A 73 10.703 23.912 -1.609 1.00 0.00 H new ATOM 0 HA LEU A 73 8.757 23.334 0.404 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.925 25.763 1.312 1.00 0.00 H new ATOM 0 HB3 LEU A 73 9.981 24.534 1.979 1.00 0.00 H new ATOM 0 HG LEU A 73 11.248 25.824 -0.293 1.00 0.00 H new ATOM 0 HD11 LEU A 73 11.533 28.053 0.716 1.00 0.00 H new ATOM 0 HD12 LEU A 73 9.834 27.732 0.294 1.00 0.00 H new ATOM 0 HD13 LEU A 73 10.367 27.621 1.989 1.00 0.00 H new ATOM 0 HD21 LEU A 73 13.028 26.199 1.370 1.00 0.00 H new ATOM 0 HD22 LEU A 73 11.916 25.698 2.666 1.00 0.00 H new ATOM 0 HD23 LEU A 73 12.418 24.528 1.423 1.00 0.00 H new ATOM 1153 N LYS A 74 9.095 25.760 -1.825 1.00 0.00 N ATOM 1154 CA LYS A 74 8.380 26.527 -2.838 1.00 0.00 C ATOM 1155 C LYS A 74 8.539 25.894 -4.217 1.00 0.00 C ATOM 1156 O LYS A 74 8.127 26.468 -5.224 1.00 0.00 O ATOM 1157 CB LYS A 74 8.887 27.969 -2.865 1.00 0.00 C ATOM 1158 CG LYS A 74 8.460 28.788 -1.658 1.00 0.00 C ATOM 1159 CD LYS A 74 7.278 29.686 -1.985 1.00 0.00 C ATOM 1160 CE LYS A 74 6.027 29.253 -1.239 1.00 0.00 C ATOM 1161 NZ LYS A 74 4.985 30.317 -1.235 1.00 0.00 N ATOM 0 H LYS A 74 10.093 25.964 -1.770 1.00 0.00 H new ATOM 0 HA LYS A 74 7.321 26.524 -2.579 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.976 27.961 -2.921 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.524 28.456 -3.770 1.00 0.00 H new ATOM 0 HG2 LYS A 74 8.195 28.120 -0.839 1.00 0.00 H new ATOM 0 HG3 LYS A 74 9.297 29.396 -1.315 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.520 30.717 -1.725 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.089 29.664 -3.058 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.623 28.352 -1.700 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.287 28.996 -0.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 4.148 29.982 -0.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.361 31.169 -0.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.717 30.544 -2.214 1.00 0.00 H new ATOM 1174 N GLY A 75 9.139 24.708 -4.254 1.00 0.00 N ATOM 1175 CA GLY A 75 9.342 24.018 -5.515 1.00 0.00 C ATOM 1176 C GLY A 75 8.057 23.441 -6.076 1.00 0.00 C ATOM 1177 O GLY A 75 7.001 24.070 -6.002 1.00 0.00 O ATOM 0 H GLY A 75 9.488 24.213 -3.433 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.772 24.710 -6.239 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.065 23.215 -5.373 1.00 0.00 H new ATOM 1181 N GLU A 76 8.147 22.239 -6.638 1.00 0.00 N ATOM 1182 CA GLU A 76 6.986 21.574 -7.213 1.00 0.00 C ATOM 1183 C GLU A 76 6.709 20.256 -6.498 1.00 0.00 C ATOM 1184 O GLU A 76 7.634 19.566 -6.066 1.00 0.00 O ATOM 1185 CB GLU A 76 7.204 21.322 -8.707 1.00 0.00 C ATOM 1186 CG GLU A 76 7.655 22.554 -9.472 1.00 0.00 C ATOM 1187 CD GLU A 76 7.545 22.380 -10.975 1.00 0.00 C ATOM 1188 OE1 GLU A 76 8.416 21.702 -11.559 1.00 0.00 O ATOM 1189 OE2 GLU A 76 6.587 22.923 -11.566 1.00 0.00 O ATOM 0 H GLU A 76 9.014 21.706 -6.707 1.00 0.00 H new ATOM 0 HA GLU A 76 6.122 22.226 -7.085 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.949 20.536 -8.829 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.276 20.953 -9.144 1.00 0.00 H new ATOM 0 HG2 GLU A 76 7.053 23.409 -9.164 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.689 22.781 -9.211 1.00 0.00 H new ATOM 1196 N PHE A 77 5.432 19.917 -6.368 1.00 0.00 N ATOM 1197 CA PHE A 77 5.032 18.689 -5.699 1.00 0.00 C ATOM 1198 C PHE A 77 5.383 17.478 -6.555 1.00 0.00 C ATOM 1199 O PHE A 77 4.915 17.343 -7.686 1.00 0.00 O ATOM 1200 CB PHE A 77 3.524 18.691 -5.398 1.00 0.00 C ATOM 1201 CG PHE A 77 2.994 19.960 -4.770 1.00 0.00 C ATOM 1202 CD1 PHE A 77 3.828 21.036 -4.489 1.00 0.00 C ATOM 1203 CD2 PHE A 77 1.644 20.075 -4.469 1.00 0.00 C ATOM 1204 CE1 PHE A 77 3.329 22.193 -3.928 1.00 0.00 C ATOM 1205 CE2 PHE A 77 1.142 21.232 -3.905 1.00 0.00 C ATOM 1206 CZ PHE A 77 1.984 22.293 -3.637 1.00 0.00 C ATOM 0 H PHE A 77 4.656 20.478 -6.719 1.00 0.00 H new ATOM 0 HA PHE A 77 5.575 18.631 -4.756 1.00 0.00 H new ATOM 0 HB2 PHE A 77 2.984 18.512 -6.328 1.00 0.00 H new ATOM 0 HB3 PHE A 77 3.301 17.856 -4.734 1.00 0.00 H new ATOM 0 HD1 PHE A 77 4.882 20.965 -4.713 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.978 19.251 -4.678 1.00 0.00 H new ATOM 0 HE1 PHE A 77 3.991 23.020 -3.717 1.00 0.00 H new ATOM 0 HE2 PHE A 77 0.090 21.307 -3.673 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.591 23.199 -3.201 1.00 0.00 H new ATOM 1216 N ILE A 78 6.211 16.604 -6.005 1.00 0.00 N ATOM 1217 CA ILE A 78 6.638 15.399 -6.697 1.00 0.00 C ATOM 1218 C ILE A 78 6.203 14.159 -5.926 1.00 0.00 C ATOM 1219 O ILE A 78 6.256 14.135 -4.701 1.00 0.00 O ATOM 1220 CB ILE A 78 8.171 15.383 -6.896 1.00 0.00 C ATOM 1221 CG1 ILE A 78 8.507 15.678 -8.367 1.00 0.00 C ATOM 1222 CG2 ILE A 78 8.767 14.056 -6.433 1.00 0.00 C ATOM 1223 CD1 ILE A 78 9.390 14.642 -9.039 1.00 0.00 C ATOM 0 H ILE A 78 6.605 16.709 -5.070 1.00 0.00 H new ATOM 0 HA ILE A 78 6.164 15.394 -7.678 1.00 0.00 H new ATOM 0 HB ILE A 78 8.619 16.164 -6.282 1.00 0.00 H new ATOM 0 HG12 ILE A 78 7.576 15.760 -8.928 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.001 16.648 -8.425 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.846 14.070 -6.583 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.550 13.909 -5.375 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.331 13.240 -7.010 1.00 0.00 H new ATOM 0 HD11 ILE A 78 9.573 14.935 -10.073 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.339 14.574 -8.508 1.00 0.00 H new ATOM 0 HD13 ILE A 78 8.893 13.672 -9.019 1.00 0.00 H new ATOM 1235 N TRP A 79 5.775 13.133 -6.646 1.00 0.00 N ATOM 1236 CA TRP A 79 5.332 11.901 -6.010 1.00 0.00 C ATOM 1237 C TRP A 79 6.520 11.101 -5.496 1.00 0.00 C ATOM 1238 O TRP A 79 7.612 11.158 -6.062 1.00 0.00 O ATOM 1239 CB TRP A 79 4.527 11.040 -6.992 1.00 0.00 C ATOM 1240 CG TRP A 79 3.262 11.683 -7.482 1.00 0.00 C ATOM 1241 CD1 TRP A 79 2.772 12.910 -7.139 1.00 0.00 C ATOM 1242 CD2 TRP A 79 2.328 11.125 -8.414 1.00 0.00 C ATOM 1243 NE1 TRP A 79 1.589 13.147 -7.798 1.00 0.00 N ATOM 1244 CE2 TRP A 79 1.296 12.067 -8.587 1.00 0.00 C ATOM 1245 CE3 TRP A 79 2.264 9.920 -9.120 1.00 0.00 C ATOM 1246 CZ2 TRP A 79 0.214 11.841 -9.434 1.00 0.00 C ATOM 1247 CZ3 TRP A 79 1.190 9.697 -9.961 1.00 0.00 C ATOM 1248 CH2 TRP A 79 0.178 10.653 -10.112 1.00 0.00 C ATOM 0 H TRP A 79 5.725 13.128 -7.665 1.00 0.00 H new ATOM 0 HA TRP A 79 4.695 12.175 -5.169 1.00 0.00 H new ATOM 0 HB2 TRP A 79 5.156 10.803 -7.850 1.00 0.00 H new ATOM 0 HB3 TRP A 79 4.277 10.095 -6.509 1.00 0.00 H new ATOM 0 HD1 TRP A 79 3.245 13.595 -6.450 1.00 0.00 H new ATOM 0 HE1 TRP A 79 1.022 13.990 -7.713 1.00 0.00 H new ATOM 0 HE3 TRP A 79 3.040 9.177 -9.010 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -0.568 12.576 -9.551 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 1.130 8.770 -10.511 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -0.648 10.448 -10.777 1.00 0.00 H new ATOM 1259 N VAL A 80 6.297 10.353 -4.421 1.00 0.00 N ATOM 1260 CA VAL A 80 7.340 9.528 -3.825 1.00 0.00 C ATOM 1261 C VAL A 80 7.859 8.513 -4.840 1.00 0.00 C ATOM 1262 O VAL A 80 8.989 8.031 -4.739 1.00 0.00 O ATOM 1263 CB VAL A 80 6.806 8.783 -2.583 1.00 0.00 C ATOM 1264 CG1 VAL A 80 5.393 8.295 -2.838 1.00 0.00 C ATOM 1265 CG2 VAL A 80 7.717 7.626 -2.194 1.00 0.00 C ATOM 0 H VAL A 80 5.398 10.302 -3.943 1.00 0.00 H new ATOM 0 HA VAL A 80 8.155 10.185 -3.521 1.00 0.00 H new ATOM 0 HB VAL A 80 6.792 9.481 -1.746 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.025 7.771 -1.956 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.747 9.147 -3.050 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.391 7.616 -3.691 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.312 7.123 -1.316 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.780 6.918 -3.021 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.712 8.007 -1.967 1.00 0.00 H new ATOM 1275 N ASP A 81 7.021 8.201 -5.822 1.00 0.00 N ATOM 1276 CA ASP A 81 7.382 7.249 -6.865 1.00 0.00 C ATOM 1277 C ASP A 81 8.306 7.897 -7.889 1.00 0.00 C ATOM 1278 O ASP A 81 8.745 7.254 -8.844 1.00 0.00 O ATOM 1279 CB ASP A 81 6.126 6.718 -7.559 1.00 0.00 C ATOM 1280 CG ASP A 81 6.385 5.432 -8.319 1.00 0.00 C ATOM 1281 OD1 ASP A 81 6.555 4.381 -7.667 1.00 0.00 O ATOM 1282 OD2 ASP A 81 6.417 5.477 -9.567 1.00 0.00 O ATOM 0 H ASP A 81 6.085 8.595 -5.917 1.00 0.00 H new ATOM 0 HA ASP A 81 7.908 6.416 -6.398 1.00 0.00 H new ATOM 0 HB2 ASP A 81 5.348 6.547 -6.815 1.00 0.00 H new ATOM 0 HB3 ASP A 81 5.748 7.474 -8.247 1.00 0.00 H new ATOM 1287 N GLY A 82 8.603 9.174 -7.676 1.00 0.00 N ATOM 1288 CA GLY A 82 9.477 9.895 -8.575 1.00 0.00 C ATOM 1289 C GLY A 82 8.754 10.429 -9.797 1.00 0.00 C ATOM 1290 O GLY A 82 9.332 10.503 -10.881 1.00 0.00 O ATOM 0 H GLY A 82 8.251 9.723 -6.892 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.937 10.725 -8.039 1.00 0.00 H new ATOM 0 HA3 GLY A 82 10.284 9.236 -8.895 1.00 0.00 H new ATOM 1294 N SER A 83 7.489 10.801 -9.625 1.00 0.00 N ATOM 1295 CA SER A 83 6.696 11.330 -10.731 1.00 0.00 C ATOM 1296 C SER A 83 5.956 12.601 -10.321 1.00 0.00 C ATOM 1297 O SER A 83 5.178 12.594 -9.374 1.00 0.00 O ATOM 1298 CB SER A 83 5.697 10.279 -11.218 1.00 0.00 C ATOM 1299 OG SER A 83 5.859 10.026 -12.603 1.00 0.00 O ATOM 0 H SER A 83 6.993 10.747 -8.736 1.00 0.00 H new ATOM 0 HA SER A 83 7.379 11.579 -11.543 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.835 9.354 -10.657 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.680 10.621 -11.024 1.00 0.00 H new ATOM 0 HG SER A 83 5.210 9.350 -12.890 1.00 0.00 H new ATOM 1305 N HIS A 84 6.202 13.689 -11.042 1.00 0.00 N ATOM 1306 CA HIS A 84 5.554 14.962 -10.749 1.00 0.00 C ATOM 1307 C HIS A 84 4.035 14.827 -10.805 1.00 0.00 C ATOM 1308 O HIS A 84 3.501 14.048 -11.595 1.00 0.00 O ATOM 1309 CB HIS A 84 6.019 16.035 -11.735 1.00 0.00 C ATOM 1310 CG HIS A 84 5.948 15.603 -13.167 1.00 0.00 C ATOM 1311 ND1 HIS A 84 4.801 15.705 -13.929 1.00 0.00 N ATOM 1312 CD2 HIS A 84 6.890 15.066 -13.979 1.00 0.00 C ATOM 1313 CE1 HIS A 84 5.041 15.249 -15.145 1.00 0.00 C ATOM 1314 NE2 HIS A 84 6.299 14.855 -15.201 1.00 0.00 N ATOM 0 H HIS A 84 6.845 13.715 -11.833 1.00 0.00 H new ATOM 0 HA HIS A 84 5.837 15.260 -9.739 1.00 0.00 H new ATOM 0 HB2 HIS A 84 5.408 16.928 -11.603 1.00 0.00 H new ATOM 0 HB3 HIS A 84 7.046 16.314 -11.499 1.00 0.00 H new ATOM 0 HD2 HIS A 84 7.914 14.845 -13.715 1.00 0.00 H new ATOM 0 HE1 HIS A 84 4.329 15.206 -15.956 1.00 0.00 H new ATOM 0 HE2 HIS A 84 6.759 14.458 -16.020 1.00 0.00 H new ATOM 1323 N VAL A 85 3.350 15.591 -9.960 1.00 0.00 N ATOM 1324 CA VAL A 85 1.891 15.564 -9.905 1.00 0.00 C ATOM 1325 C VAL A 85 1.284 15.769 -11.290 1.00 0.00 C ATOM 1326 O VAL A 85 1.854 16.463 -12.131 1.00 0.00 O ATOM 1327 CB VAL A 85 1.345 16.644 -8.950 1.00 0.00 C ATOM 1328 CG1 VAL A 85 -0.168 16.566 -8.857 1.00 0.00 C ATOM 1329 CG2 VAL A 85 1.970 16.506 -7.572 1.00 0.00 C ATOM 0 H VAL A 85 3.783 16.239 -9.302 1.00 0.00 H new ATOM 0 HA VAL A 85 1.606 14.581 -9.530 1.00 0.00 H new ATOM 0 HB VAL A 85 1.613 17.620 -9.354 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.531 17.337 -8.178 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.602 16.719 -9.845 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.459 15.585 -8.481 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.572 17.277 -6.913 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.736 15.523 -7.163 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.051 16.619 -7.650 1.00 0.00 H new ATOM 1339 N ASP A 86 0.125 15.158 -11.521 1.00 0.00 N ATOM 1340 CA ASP A 86 -0.556 15.273 -12.806 1.00 0.00 C ATOM 1341 C ASP A 86 -1.991 15.761 -12.630 1.00 0.00 C ATOM 1342 O ASP A 86 -2.586 16.305 -13.560 1.00 0.00 O ATOM 1343 CB ASP A 86 -0.551 13.924 -13.529 1.00 0.00 C ATOM 1344 CG ASP A 86 0.846 13.481 -13.916 1.00 0.00 C ATOM 1345 OD1 ASP A 86 1.416 14.071 -14.859 1.00 0.00 O ATOM 1346 OD2 ASP A 86 1.371 12.545 -13.278 1.00 0.00 O ATOM 0 H ASP A 86 -0.361 14.579 -10.836 1.00 0.00 H new ATOM 0 HA ASP A 86 -0.017 16.006 -13.406 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -1.004 13.169 -12.886 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -1.169 13.992 -14.424 1.00 0.00 H new ATOM 1351 N TYR A 87 -2.545 15.562 -11.437 1.00 0.00 N ATOM 1352 CA TYR A 87 -3.913 15.984 -11.154 1.00 0.00 C ATOM 1353 C TYR A 87 -3.962 16.962 -9.986 1.00 0.00 C ATOM 1354 O TYR A 87 -4.541 18.043 -10.095 1.00 0.00 O ATOM 1355 CB TYR A 87 -4.795 14.768 -10.854 1.00 0.00 C ATOM 1356 CG TYR A 87 -5.131 13.947 -12.079 1.00 0.00 C ATOM 1357 CD1 TYR A 87 -4.240 13.000 -12.568 1.00 0.00 C ATOM 1358 CD2 TYR A 87 -6.338 14.120 -12.745 1.00 0.00 C ATOM 1359 CE1 TYR A 87 -4.544 12.248 -13.688 1.00 0.00 C ATOM 1360 CE2 TYR A 87 -6.648 13.371 -13.864 1.00 0.00 C ATOM 1361 CZ TYR A 87 -5.748 12.437 -14.331 1.00 0.00 C ATOM 1362 OH TYR A 87 -6.054 11.689 -15.446 1.00 0.00 O ATOM 0 H TYR A 87 -2.070 15.113 -10.654 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.293 16.493 -12.040 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.288 14.132 -10.128 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.721 15.107 -10.389 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -3.296 12.849 -12.066 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -7.045 14.851 -12.382 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -3.841 11.516 -14.057 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -7.591 13.517 -14.370 1.00 0.00 H new ATOM 0 HH TYR A 87 -6.940 11.944 -15.778 1.00 0.00 H new ATOM 1372 N SER A 88 -3.350 16.570 -8.871 1.00 0.00 N ATOM 1373 CA SER A 88 -3.318 17.399 -7.665 1.00 0.00 C ATOM 1374 C SER A 88 -4.730 17.661 -7.145 1.00 0.00 C ATOM 1375 O SER A 88 -5.684 17.719 -7.920 1.00 0.00 O ATOM 1376 CB SER A 88 -2.601 18.726 -7.930 1.00 0.00 C ATOM 1377 OG SER A 88 -2.125 18.802 -9.263 1.00 0.00 O ATOM 0 H SER A 88 -2.866 15.677 -8.776 1.00 0.00 H new ATOM 0 HA SER A 88 -2.763 16.852 -6.903 1.00 0.00 H new ATOM 0 HB2 SER A 88 -3.283 19.554 -7.738 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.766 18.834 -7.238 1.00 0.00 H new ATOM 0 HG SER A 88 -1.674 19.661 -9.401 1.00 0.00 H new ATOM 1383 N ASN A 89 -4.866 17.798 -5.829 1.00 0.00 N ATOM 1384 CA ASN A 89 -6.175 18.028 -5.232 1.00 0.00 C ATOM 1385 C ASN A 89 -6.147 19.088 -4.125 1.00 0.00 C ATOM 1386 O ASN A 89 -7.203 19.455 -3.610 1.00 0.00 O ATOM 1387 CB ASN A 89 -6.722 16.716 -4.671 1.00 0.00 C ATOM 1388 CG ASN A 89 -7.170 15.754 -5.750 1.00 0.00 C ATOM 1389 OD1 ASN A 89 -7.447 16.151 -6.881 1.00 0.00 O ATOM 1390 ND2 ASN A 89 -7.246 14.476 -5.400 1.00 0.00 N ATOM 0 H ASN A 89 -4.094 17.754 -5.163 1.00 0.00 H new ATOM 0 HA ASN A 89 -6.824 18.406 -6.022 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -5.954 16.239 -4.062 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -7.563 16.931 -4.012 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -7.544 13.778 -6.081 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -7.006 14.192 -4.450 1.00 0.00 H new ATOM 1397 N TRP A 90 -4.954 19.572 -3.746 1.00 0.00 N ATOM 1398 CA TRP A 90 -4.848 20.580 -2.690 1.00 0.00 C ATOM 1399 C TRP A 90 -5.985 21.591 -2.786 1.00 0.00 C ATOM 1400 O TRP A 90 -6.020 22.422 -3.695 1.00 0.00 O ATOM 1401 CB TRP A 90 -3.501 21.310 -2.734 1.00 0.00 C ATOM 1402 CG TRP A 90 -2.706 21.075 -3.983 1.00 0.00 C ATOM 1403 CD1 TRP A 90 -1.944 19.981 -4.276 1.00 0.00 C ATOM 1404 CD2 TRP A 90 -2.581 21.964 -5.099 1.00 0.00 C ATOM 1405 NE1 TRP A 90 -1.355 20.135 -5.506 1.00 0.00 N ATOM 1406 CE2 TRP A 90 -1.732 21.343 -6.033 1.00 0.00 C ATOM 1407 CE3 TRP A 90 -3.108 23.223 -5.400 1.00 0.00 C ATOM 1408 CZ2 TRP A 90 -1.395 21.939 -7.246 1.00 0.00 C ATOM 1409 CZ3 TRP A 90 -2.774 23.814 -6.605 1.00 0.00 C ATOM 1410 CH2 TRP A 90 -1.925 23.171 -7.515 1.00 0.00 C ATOM 0 H TRP A 90 -4.063 19.284 -4.151 1.00 0.00 H new ATOM 0 HA TRP A 90 -4.919 20.053 -1.739 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -3.679 22.380 -2.628 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -2.905 20.999 -1.876 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -1.822 19.121 -3.634 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -0.737 19.460 -5.955 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -3.764 23.725 -4.704 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -0.739 21.446 -7.949 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -3.174 24.787 -6.848 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -1.684 23.658 -8.448 1.00 0.00 H new ATOM 1421 N ALA A 91 -6.916 21.494 -1.842 1.00 0.00 N ATOM 1422 CA ALA A 91 -8.080 22.374 -1.789 1.00 0.00 C ATOM 1423 C ALA A 91 -7.721 23.812 -2.163 1.00 0.00 C ATOM 1424 O ALA A 91 -6.729 24.357 -1.677 1.00 0.00 O ATOM 1425 CB ALA A 91 -8.704 22.333 -0.403 1.00 0.00 C ATOM 0 H ALA A 91 -6.885 20.803 -1.092 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.802 22.013 -2.521 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.571 22.993 -0.375 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.016 21.314 -0.174 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.973 22.663 0.335 1.00 0.00 H new ATOM 1431 N PRO A 92 -8.527 24.445 -3.033 1.00 0.00 N ATOM 1432 CA PRO A 92 -8.292 25.820 -3.470 1.00 0.00 C ATOM 1433 C PRO A 92 -8.816 26.845 -2.470 1.00 0.00 C ATOM 1434 O PRO A 92 -8.778 28.050 -2.724 1.00 0.00 O ATOM 1435 CB PRO A 92 -9.077 25.897 -4.776 1.00 0.00 C ATOM 1436 CG PRO A 92 -10.224 24.964 -4.577 1.00 0.00 C ATOM 1437 CD PRO A 92 -9.732 23.868 -3.663 1.00 0.00 C ATOM 0 HA PRO A 92 -7.231 26.047 -3.573 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -9.421 26.912 -4.973 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -8.464 25.597 -5.626 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -11.075 25.484 -4.136 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -10.560 24.553 -5.529 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -10.483 23.601 -2.919 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.497 22.960 -4.218 1.00 0.00 H new ATOM 1445 N GLY A 93 -9.308 26.359 -1.335 1.00 0.00 N ATOM 1446 CA GLY A 93 -9.836 27.244 -0.314 1.00 0.00 C ATOM 1447 C GLY A 93 -8.779 28.168 0.258 1.00 0.00 C ATOM 1448 O GLY A 93 -8.538 29.251 -0.275 1.00 0.00 O ATOM 0 H GLY A 93 -9.350 25.366 -1.104 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -10.644 27.840 -0.737 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -10.267 26.648 0.491 1.00 0.00 H new ATOM 1452 N GLU A 94 -8.147 27.739 1.346 1.00 0.00 N ATOM 1453 CA GLU A 94 -7.110 28.536 1.992 1.00 0.00 C ATOM 1454 C GLU A 94 -5.959 27.651 2.465 1.00 0.00 C ATOM 1455 O GLU A 94 -5.891 27.280 3.638 1.00 0.00 O ATOM 1456 CB GLU A 94 -7.694 29.309 3.175 1.00 0.00 C ATOM 1457 CG GLU A 94 -6.986 30.625 3.452 1.00 0.00 C ATOM 1458 CD GLU A 94 -7.454 31.743 2.540 1.00 0.00 C ATOM 1459 OE1 GLU A 94 -8.645 32.112 2.616 1.00 0.00 O ATOM 1460 OE2 GLU A 94 -6.629 32.248 1.751 1.00 0.00 O ATOM 0 H GLU A 94 -8.335 26.844 1.799 1.00 0.00 H new ATOM 0 HA GLU A 94 -6.723 29.245 1.260 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -8.749 29.507 2.984 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -7.644 28.684 4.067 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -7.155 30.913 4.490 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -5.912 30.488 3.330 1.00 0.00 H new ATOM 1467 N PRO A 95 -5.033 27.299 1.553 1.00 0.00 N ATOM 1468 CA PRO A 95 -3.880 26.453 1.884 1.00 0.00 C ATOM 1469 C PRO A 95 -3.049 27.028 3.025 1.00 0.00 C ATOM 1470 O PRO A 95 -2.428 28.083 2.884 1.00 0.00 O ATOM 1471 CB PRO A 95 -3.064 26.432 0.587 1.00 0.00 C ATOM 1472 CG PRO A 95 -4.042 26.758 -0.488 1.00 0.00 C ATOM 1473 CD PRO A 95 -5.039 27.696 0.135 1.00 0.00 C ATOM 0 HA PRO A 95 -4.187 25.464 2.224 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -2.254 27.161 0.618 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -2.608 25.456 0.423 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -3.546 27.224 -1.340 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -4.531 25.857 -0.858 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -4.746 28.738 0.007 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -6.028 27.586 -0.310 1.00 0.00 H new ATOM 1481 N THR A 96 -3.041 26.329 4.156 1.00 0.00 N ATOM 1482 CA THR A 96 -2.285 26.770 5.323 1.00 0.00 C ATOM 1483 C THR A 96 -0.787 26.752 5.041 1.00 0.00 C ATOM 1484 O THR A 96 -0.235 25.731 4.627 1.00 0.00 O ATOM 1485 CB THR A 96 -2.601 25.880 6.526 1.00 0.00 C ATOM 1486 OG1 THR A 96 -2.630 24.515 6.147 1.00 0.00 O ATOM 1487 CG2 THR A 96 -3.927 26.205 7.178 1.00 0.00 C ATOM 0 H THR A 96 -3.550 25.455 4.289 1.00 0.00 H new ATOM 0 HA THR A 96 -2.580 27.795 5.550 1.00 0.00 H new ATOM 0 HB THR A 96 -1.805 26.072 7.245 1.00 0.00 H new ATOM 0 HG1 THR A 96 -1.900 24.334 5.519 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.090 25.537 8.024 1.00 0.00 H new ATOM 0 HG22 THR A 96 -3.917 27.238 7.527 1.00 0.00 H new ATOM 0 HG23 THR A 96 -4.731 26.075 6.453 1.00 0.00 H new ATOM 1495 N SER A 97 -0.133 27.887 5.268 1.00 0.00 N ATOM 1496 CA SER A 97 1.303 28.002 5.039 1.00 0.00 C ATOM 1497 C SER A 97 1.926 29.015 5.995 1.00 0.00 C ATOM 1498 O SER A 97 3.076 29.418 5.823 1.00 0.00 O ATOM 1499 CB SER A 97 1.578 28.413 3.591 1.00 0.00 C ATOM 1500 OG SER A 97 2.577 27.595 3.010 1.00 0.00 O ATOM 0 H SER A 97 -0.575 28.740 5.610 1.00 0.00 H new ATOM 0 HA SER A 97 1.755 27.028 5.225 1.00 0.00 H new ATOM 0 HB2 SER A 97 0.660 28.340 3.008 1.00 0.00 H new ATOM 0 HB3 SER A 97 1.894 29.456 3.559 1.00 0.00 H new ATOM 0 HG SER A 97 2.733 27.877 2.085 1.00 0.00 H new ATOM 1506 N ARG A 98 1.159 29.420 7.002 1.00 0.00 N ATOM 1507 CA ARG A 98 1.635 30.386 7.985 1.00 0.00 C ATOM 1508 C ARG A 98 2.746 29.788 8.842 1.00 0.00 C ATOM 1509 O ARG A 98 3.576 30.510 9.395 1.00 0.00 O ATOM 1510 CB ARG A 98 0.482 30.850 8.877 1.00 0.00 C ATOM 1511 CG ARG A 98 -0.288 29.706 9.519 1.00 0.00 C ATOM 1512 CD ARG A 98 0.019 29.591 11.003 1.00 0.00 C ATOM 1513 NE ARG A 98 -0.660 30.621 11.785 1.00 0.00 N ATOM 1514 CZ ARG A 98 -1.570 30.358 12.719 1.00 0.00 C ATOM 1515 NH1 ARG A 98 -1.906 29.103 12.987 1.00 0.00 N ATOM 1516 NH2 ARG A 98 -2.143 31.349 13.386 1.00 0.00 N ATOM 0 H ARG A 98 0.205 29.094 7.159 1.00 0.00 H new ATOM 0 HA ARG A 98 2.037 31.245 7.447 1.00 0.00 H new ATOM 0 HB2 ARG A 98 0.877 31.496 9.661 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -0.206 31.452 8.284 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -1.358 29.862 9.379 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -0.034 28.770 9.020 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -0.283 28.607 11.360 1.00 0.00 H new ATOM 0 HD3 ARG A 98 1.095 29.669 11.157 1.00 0.00 H new ATOM 0 HE ARG A 98 -0.423 31.597 11.605 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -1.466 28.337 12.476 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -2.604 28.904 13.704 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -1.887 32.315 13.184 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -2.841 31.146 14.102 1.00 0.00 H new ATOM 1530 N SER A 99 2.756 28.462 8.946 1.00 0.00 N ATOM 1531 CA SER A 99 3.766 27.765 9.736 1.00 0.00 C ATOM 1532 C SER A 99 4.714 26.980 8.834 1.00 0.00 C ATOM 1533 O SER A 99 4.278 26.220 7.970 1.00 0.00 O ATOM 1534 CB SER A 99 3.098 26.821 10.737 1.00 0.00 C ATOM 1535 OG SER A 99 3.731 26.891 12.004 1.00 0.00 O ATOM 0 H SER A 99 2.077 27.850 8.494 1.00 0.00 H new ATOM 0 HA SER A 99 4.345 28.511 10.281 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.044 27.080 10.839 1.00 0.00 H new ATOM 0 HB3 SER A 99 3.140 25.799 10.362 1.00 0.00 H new ATOM 0 HG SER A 99 3.285 26.280 12.627 1.00 0.00 H new ATOM 1541 N GLN A 100 6.013 27.171 9.043 1.00 0.00 N ATOM 1542 CA GLN A 100 7.024 26.481 8.250 1.00 0.00 C ATOM 1543 C GLN A 100 7.354 25.119 8.853 1.00 0.00 C ATOM 1544 O GLN A 100 7.806 25.028 9.994 1.00 0.00 O ATOM 1545 CB GLN A 100 8.293 27.329 8.154 1.00 0.00 C ATOM 1546 CG GLN A 100 8.997 27.222 6.811 1.00 0.00 C ATOM 1547 CD GLN A 100 10.380 27.844 6.826 1.00 0.00 C ATOM 1548 OE1 GLN A 100 11.185 27.574 7.717 1.00 0.00 O ATOM 1549 NE2 GLN A 100 10.662 28.682 5.835 1.00 0.00 N ATOM 0 H GLN A 100 6.390 27.797 9.754 1.00 0.00 H new ATOM 0 HA GLN A 100 6.621 26.327 7.249 1.00 0.00 H new ATOM 0 HB2 GLN A 100 8.037 28.372 8.339 1.00 0.00 H new ATOM 0 HB3 GLN A 100 8.983 27.026 8.942 1.00 0.00 H new ATOM 0 HG2 GLN A 100 9.078 26.172 6.530 1.00 0.00 H new ATOM 0 HG3 GLN A 100 8.391 27.710 6.048 1.00 0.00 H new ATOM 0 HE21 GLN A 100 9.964 28.877 5.117 1.00 0.00 H new ATOM 0 HE22 GLN A 100 11.577 29.131 5.791 1.00 0.00 H new ATOM 1558 N GLY A 101 7.123 24.063 8.079 1.00 0.00 N ATOM 1559 CA GLY A 101 7.400 22.720 8.553 1.00 0.00 C ATOM 1560 C GLY A 101 8.327 21.958 7.626 1.00 0.00 C ATOM 1561 O GLY A 101 9.536 21.904 7.854 1.00 0.00 O ATOM 0 H GLY A 101 6.749 24.114 7.132 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.847 22.773 9.546 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.463 22.173 8.655 1.00 0.00 H new ATOM 1565 N GLU A 102 7.761 21.367 6.578 1.00 0.00 N ATOM 1566 CA GLU A 102 8.547 20.604 5.615 1.00 0.00 C ATOM 1567 C GLU A 102 7.953 20.720 4.210 1.00 0.00 C ATOM 1568 O GLU A 102 8.038 21.775 3.581 1.00 0.00 O ATOM 1569 CB GLU A 102 8.629 19.137 6.041 1.00 0.00 C ATOM 1570 CG GLU A 102 9.920 18.784 6.762 1.00 0.00 C ATOM 1571 CD GLU A 102 9.768 17.583 7.676 1.00 0.00 C ATOM 1572 OE1 GLU A 102 8.958 17.657 8.624 1.00 0.00 O ATOM 1573 OE2 GLU A 102 10.459 16.569 7.443 1.00 0.00 O ATOM 0 H GLU A 102 6.762 21.402 6.374 1.00 0.00 H new ATOM 0 HA GLU A 102 9.555 21.019 5.592 1.00 0.00 H new ATOM 0 HB2 GLU A 102 7.785 18.909 6.692 1.00 0.00 H new ATOM 0 HB3 GLU A 102 8.531 18.505 5.158 1.00 0.00 H new ATOM 0 HG2 GLU A 102 10.698 18.580 6.027 1.00 0.00 H new ATOM 0 HG3 GLU A 102 10.251 19.642 7.347 1.00 0.00 H new ATOM 1580 N ASP A 103 7.353 19.632 3.723 1.00 0.00 N ATOM 1581 CA ASP A 103 6.752 19.619 2.393 1.00 0.00 C ATOM 1582 C ASP A 103 6.046 18.293 2.128 1.00 0.00 C ATOM 1583 O ASP A 103 6.690 17.276 1.874 1.00 0.00 O ATOM 1584 CB ASP A 103 7.822 19.855 1.326 1.00 0.00 C ATOM 1585 CG ASP A 103 9.145 19.201 1.679 1.00 0.00 C ATOM 1586 OD1 ASP A 103 9.285 17.982 1.448 1.00 0.00 O ATOM 1587 OD2 ASP A 103 10.039 19.909 2.188 1.00 0.00 O ATOM 0 H ASP A 103 7.272 18.751 4.231 1.00 0.00 H new ATOM 0 HA ASP A 103 6.015 20.421 2.348 1.00 0.00 H new ATOM 0 HB2 ASP A 103 7.471 19.465 0.371 1.00 0.00 H new ATOM 0 HB3 ASP A 103 7.973 20.927 1.197 1.00 0.00 H new ATOM 1592 N CYS A 104 4.716 18.312 2.187 1.00 0.00 N ATOM 1593 CA CYS A 104 3.925 17.109 1.950 1.00 0.00 C ATOM 1594 C CYS A 104 2.440 17.443 1.837 1.00 0.00 C ATOM 1595 O CYS A 104 1.991 18.504 2.276 1.00 0.00 O ATOM 1596 CB CYS A 104 4.145 16.095 3.075 1.00 0.00 C ATOM 1597 SG CYS A 104 3.831 16.754 4.744 1.00 0.00 S ATOM 0 H CYS A 104 4.166 19.145 2.396 1.00 0.00 H new ATOM 0 HA CYS A 104 4.254 16.673 1.007 1.00 0.00 H new ATOM 0 HB2 CYS A 104 3.495 15.236 2.907 1.00 0.00 H new ATOM 0 HB3 CYS A 104 5.172 15.732 3.027 1.00 0.00 H new ATOM 1602 N VAL A 105 1.682 16.529 1.242 1.00 0.00 N ATOM 1603 CA VAL A 105 0.252 16.723 1.069 1.00 0.00 C ATOM 1604 C VAL A 105 -0.547 15.746 1.924 1.00 0.00 C ATOM 1605 O VAL A 105 -0.221 14.563 2.017 1.00 0.00 O ATOM 1606 CB VAL A 105 -0.158 16.571 -0.408 1.00 0.00 C ATOM 1607 CG1 VAL A 105 -1.668 16.487 -0.550 1.00 0.00 C ATOM 1608 CG2 VAL A 105 0.376 17.736 -1.219 1.00 0.00 C ATOM 0 H VAL A 105 2.036 15.647 0.872 1.00 0.00 H new ATOM 0 HA VAL A 105 0.027 17.739 1.394 1.00 0.00 H new ATOM 0 HB VAL A 105 0.272 15.643 -0.786 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -1.929 16.380 -1.603 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -2.038 15.625 0.005 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -2.122 17.396 -0.154 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.081 17.619 -2.262 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.032 18.668 -0.829 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.464 17.759 -1.150 1.00 0.00 H new ATOM 1618 N MET A 106 -1.599 16.263 2.542 1.00 0.00 N ATOM 1619 CA MET A 106 -2.472 15.473 3.394 1.00 0.00 C ATOM 1620 C MET A 106 -3.885 15.472 2.828 1.00 0.00 C ATOM 1621 O MET A 106 -4.188 16.228 1.915 1.00 0.00 O ATOM 1622 CB MET A 106 -2.479 16.034 4.818 1.00 0.00 C ATOM 1623 CG MET A 106 -2.882 17.497 4.896 1.00 0.00 C ATOM 1624 SD MET A 106 -3.264 18.025 6.578 1.00 0.00 S ATOM 1625 CE MET A 106 -4.893 17.311 6.794 1.00 0.00 C ATOM 0 H MET A 106 -1.871 17.243 2.466 1.00 0.00 H new ATOM 0 HA MET A 106 -2.098 14.450 3.425 1.00 0.00 H new ATOM 0 HB2 MET A 106 -3.164 15.445 5.428 1.00 0.00 H new ATOM 0 HB3 MET A 106 -1.485 15.916 5.250 1.00 0.00 H new ATOM 0 HG2 MET A 106 -2.075 18.114 4.501 1.00 0.00 H new ATOM 0 HG3 MET A 106 -3.752 17.664 4.261 1.00 0.00 H new ATOM 0 HE1 MET A 106 -5.630 18.108 6.890 1.00 0.00 H new ATOM 0 HE2 MET A 106 -5.137 16.693 5.930 1.00 0.00 H new ATOM 0 HE3 MET A 106 -4.904 16.696 7.694 1.00 0.00 H new ATOM 1635 N MET A 107 -4.742 14.620 3.362 1.00 0.00 N ATOM 1636 CA MET A 107 -6.118 14.539 2.890 1.00 0.00 C ATOM 1637 C MET A 107 -7.085 14.752 4.050 1.00 0.00 C ATOM 1638 O MET A 107 -6.963 14.113 5.094 1.00 0.00 O ATOM 1639 CB MET A 107 -6.361 13.177 2.231 1.00 0.00 C ATOM 1640 CG MET A 107 -7.798 12.694 2.321 1.00 0.00 C ATOM 1641 SD MET A 107 -8.101 11.674 3.776 1.00 0.00 S ATOM 1642 CE MET A 107 -9.585 12.442 4.423 1.00 0.00 C ATOM 0 H MET A 107 -4.514 13.976 4.119 1.00 0.00 H new ATOM 0 HA MET A 107 -6.289 15.322 2.151 1.00 0.00 H new ATOM 0 HB2 MET A 107 -6.074 13.237 1.181 1.00 0.00 H new ATOM 0 HB3 MET A 107 -5.710 12.438 2.698 1.00 0.00 H new ATOM 0 HG2 MET A 107 -8.466 13.555 2.341 1.00 0.00 H new ATOM 0 HG3 MET A 107 -8.042 12.123 1.425 1.00 0.00 H new ATOM 0 HE1 MET A 107 -9.405 12.779 5.444 1.00 0.00 H new ATOM 0 HE2 MET A 107 -9.854 13.296 3.801 1.00 0.00 H new ATOM 0 HE3 MET A 107 -10.401 11.719 4.418 1.00 0.00 H new ATOM 1652 N ARG A 108 -8.042 15.659 3.855 1.00 0.00 N ATOM 1653 CA ARG A 108 -9.036 15.977 4.878 1.00 0.00 C ATOM 1654 C ARG A 108 -9.867 17.184 4.458 1.00 0.00 C ATOM 1655 O ARG A 108 -9.597 17.803 3.428 1.00 0.00 O ATOM 1656 CB ARG A 108 -8.361 16.265 6.222 1.00 0.00 C ATOM 1657 CG ARG A 108 -9.118 15.707 7.416 1.00 0.00 C ATOM 1658 CD ARG A 108 -9.568 16.814 8.357 1.00 0.00 C ATOM 1659 NE ARG A 108 -8.455 17.657 8.782 1.00 0.00 N ATOM 1660 CZ ARG A 108 -8.347 18.947 8.477 1.00 0.00 C ATOM 1661 NH1 ARG A 108 -9.282 19.540 7.746 1.00 0.00 N ATOM 1662 NH2 ARG A 108 -7.303 19.646 8.902 1.00 0.00 N ATOM 0 H ARG A 108 -8.149 16.190 2.991 1.00 0.00 H new ATOM 0 HA ARG A 108 -9.690 15.112 4.989 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -7.355 15.845 6.211 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -8.254 17.343 6.342 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -9.987 15.148 7.068 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -8.482 15.005 7.956 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -10.319 17.428 7.861 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -10.044 16.374 9.233 1.00 0.00 H new ATOM 0 HE ARG A 108 -7.718 17.233 9.345 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -10.086 19.006 7.416 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -9.196 20.530 7.514 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -6.581 19.194 9.464 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -7.222 20.635 8.667 1.00 0.00 H new ATOM 1676 N GLY A 109 -10.873 17.517 5.261 1.00 0.00 N ATOM 1677 CA GLY A 109 -11.725 18.652 4.955 1.00 0.00 C ATOM 1678 C GLY A 109 -12.496 18.462 3.664 1.00 0.00 C ATOM 1679 O GLY A 109 -11.902 18.380 2.590 1.00 0.00 O ATOM 0 H GLY A 109 -11.114 17.021 6.119 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -12.426 18.808 5.775 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -11.115 19.552 4.882 1.00 0.00 H new ATOM 1683 N SER A 110 -13.821 18.385 3.775 1.00 0.00 N ATOM 1684 CA SER A 110 -14.689 18.194 2.614 1.00 0.00 C ATOM 1685 C SER A 110 -14.548 16.782 2.058 1.00 0.00 C ATOM 1686 O SER A 110 -15.461 15.965 2.178 1.00 0.00 O ATOM 1687 CB SER A 110 -14.376 19.225 1.525 1.00 0.00 C ATOM 1688 OG SER A 110 -14.720 20.533 1.947 1.00 0.00 O ATOM 0 H SER A 110 -14.319 18.452 4.662 1.00 0.00 H new ATOM 0 HA SER A 110 -15.719 18.336 2.940 1.00 0.00 H new ATOM 0 HB2 SER A 110 -13.315 19.187 1.278 1.00 0.00 H new ATOM 0 HB3 SER A 110 -14.924 18.977 0.616 1.00 0.00 H new ATOM 0 HG SER A 110 -14.509 21.173 1.235 1.00 0.00 H new ATOM 1694 N GLY A 111 -13.399 16.499 1.455 1.00 0.00 N ATOM 1695 CA GLY A 111 -13.161 15.184 0.897 1.00 0.00 C ATOM 1696 C GLY A 111 -12.091 15.184 -0.178 1.00 0.00 C ATOM 1697 O GLY A 111 -12.193 14.447 -1.159 1.00 0.00 O ATOM 0 H GLY A 111 -12.629 17.158 1.343 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -12.866 14.504 1.696 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -14.090 14.799 0.477 1.00 0.00 H new ATOM 1701 N ARG A 112 -11.064 16.012 -0.001 1.00 0.00 N ATOM 1702 CA ARG A 112 -9.984 16.095 -0.971 1.00 0.00 C ATOM 1703 C ARG A 112 -8.617 16.152 -0.285 1.00 0.00 C ATOM 1704 O ARG A 112 -8.405 15.534 0.759 1.00 0.00 O ATOM 1705 CB ARG A 112 -10.183 17.315 -1.877 1.00 0.00 C ATOM 1706 CG ARG A 112 -10.178 18.650 -1.143 1.00 0.00 C ATOM 1707 CD ARG A 112 -11.493 18.902 -0.423 1.00 0.00 C ATOM 1708 NE ARG A 112 -12.436 19.649 -1.252 1.00 0.00 N ATOM 1709 CZ ARG A 112 -13.317 19.076 -2.066 1.00 0.00 C ATOM 1710 NH1 ARG A 112 -13.375 17.754 -2.162 1.00 0.00 N ATOM 1711 NH2 ARG A 112 -14.140 19.825 -2.787 1.00 0.00 N ATOM 0 H ARG A 112 -10.960 16.631 0.803 1.00 0.00 H new ATOM 0 HA ARG A 112 -10.008 15.192 -1.581 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -9.396 17.325 -2.631 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -11.130 17.209 -2.407 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -9.360 18.666 -0.423 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -9.992 19.455 -1.854 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -11.938 17.949 -0.136 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -11.303 19.454 0.497 1.00 0.00 H new ATOM 0 HE ARG A 112 -12.417 20.668 -1.203 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -12.743 17.174 -1.610 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -14.052 17.317 -2.787 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -14.097 20.842 -2.717 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -14.816 19.384 -3.411 1.00 0.00 H new ATOM 1725 N TRP A 113 -7.695 16.894 -0.889 1.00 0.00 N ATOM 1726 CA TRP A 113 -6.343 17.048 -0.374 1.00 0.00 C ATOM 1727 C TRP A 113 -6.131 18.430 0.199 1.00 0.00 C ATOM 1728 O TRP A 113 -6.843 19.377 -0.127 1.00 0.00 O ATOM 1729 CB TRP A 113 -5.298 16.905 -1.476 1.00 0.00 C ATOM 1730 CG TRP A 113 -5.191 15.570 -2.125 1.00 0.00 C ATOM 1731 CD1 TRP A 113 -6.013 14.490 -1.993 1.00 0.00 C ATOM 1732 CD2 TRP A 113 -4.177 15.200 -3.053 1.00 0.00 C ATOM 1733 NE1 TRP A 113 -5.563 13.465 -2.793 1.00 0.00 N ATOM 1734 CE2 TRP A 113 -4.431 13.878 -3.452 1.00 0.00 C ATOM 1735 CE3 TRP A 113 -3.073 15.873 -3.581 1.00 0.00 C ATOM 1736 CZ2 TRP A 113 -3.616 13.209 -4.363 1.00 0.00 C ATOM 1737 CZ3 TRP A 113 -2.264 15.212 -4.485 1.00 0.00 C ATOM 1738 CH2 TRP A 113 -2.539 13.891 -4.869 1.00 0.00 C ATOM 0 H TRP A 113 -7.867 17.407 -1.754 1.00 0.00 H new ATOM 0 HA TRP A 113 -6.230 16.272 0.383 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -5.515 17.643 -2.249 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -4.324 17.159 -1.057 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -6.885 14.446 -1.357 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -5.999 12.547 -2.882 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -2.856 16.890 -3.288 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -3.825 12.192 -4.659 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -1.407 15.720 -4.902 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -1.889 13.401 -5.578 1.00 0.00 H new ATOM 1749 N ASN A 114 -5.087 18.541 0.993 1.00 0.00 N ATOM 1750 CA ASN A 114 -4.681 19.803 1.553 1.00 0.00 C ATOM 1751 C ASN A 114 -3.160 19.845 1.552 1.00 0.00 C ATOM 1752 O ASN A 114 -2.505 18.999 2.161 1.00 0.00 O ATOM 1753 CB ASN A 114 -5.219 19.972 2.977 1.00 0.00 C ATOM 1754 CG ASN A 114 -6.600 19.370 3.149 1.00 0.00 C ATOM 1755 OD1 ASN A 114 -7.596 19.932 2.694 1.00 0.00 O ATOM 1756 ND2 ASN A 114 -6.665 18.220 3.811 1.00 0.00 N ATOM 0 H ASN A 114 -4.498 17.754 1.266 1.00 0.00 H new ATOM 0 HA ASN A 114 -5.086 20.620 0.956 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -4.531 19.503 3.680 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -5.255 21.033 3.225 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -7.567 17.767 3.959 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -5.813 17.790 4.171 1.00 0.00 H new ATOM 1763 N ASP A 115 -2.606 20.821 0.854 1.00 0.00 N ATOM 1764 CA ASP A 115 -1.165 20.965 0.756 1.00 0.00 C ATOM 1765 C ASP A 115 -0.631 21.863 1.865 1.00 0.00 C ATOM 1766 O ASP A 115 -1.080 22.997 2.032 1.00 0.00 O ATOM 1767 CB ASP A 115 -0.793 21.535 -0.612 1.00 0.00 C ATOM 1768 CG ASP A 115 0.708 21.647 -0.787 1.00 0.00 C ATOM 1769 OD1 ASP A 115 1.367 20.600 -0.950 1.00 0.00 O ATOM 1770 OD2 ASP A 115 1.225 22.784 -0.758 1.00 0.00 O ATOM 0 H ASP A 115 -3.136 21.528 0.345 1.00 0.00 H new ATOM 0 HA ASP A 115 -0.710 19.981 0.870 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -1.203 20.897 -1.395 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -1.247 22.519 -0.731 1.00 0.00 H new ATOM 1775 N ALA A 116 0.332 21.346 2.621 1.00 0.00 N ATOM 1776 CA ALA A 116 0.929 22.096 3.714 1.00 0.00 C ATOM 1777 C ALA A 116 2.325 21.577 4.031 1.00 0.00 C ATOM 1778 O ALA A 116 2.658 20.435 3.722 1.00 0.00 O ATOM 1779 CB ALA A 116 0.043 22.030 4.949 1.00 0.00 C ATOM 0 H ALA A 116 0.714 20.409 2.494 1.00 0.00 H new ATOM 0 HA ALA A 116 1.017 23.137 3.404 1.00 0.00 H new ATOM 0 HB1 ALA A 116 0.504 22.596 5.758 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -0.934 22.455 4.719 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -0.077 20.991 5.256 1.00 0.00 H new ATOM 1785 N PHE A 117 3.140 22.424 4.646 1.00 0.00 N ATOM 1786 CA PHE A 117 4.500 22.055 5.002 1.00 0.00 C ATOM 1787 C PHE A 117 4.516 21.110 6.193 1.00 0.00 C ATOM 1788 O PHE A 117 4.879 21.498 7.304 1.00 0.00 O ATOM 1789 CB PHE A 117 5.323 23.308 5.297 1.00 0.00 C ATOM 1790 CG PHE A 117 5.707 24.074 4.060 1.00 0.00 C ATOM 1791 CD1 PHE A 117 5.541 23.515 2.800 1.00 0.00 C ATOM 1792 CD2 PHE A 117 6.231 25.353 4.158 1.00 0.00 C ATOM 1793 CE1 PHE A 117 5.892 24.218 1.663 1.00 0.00 C ATOM 1794 CE2 PHE A 117 6.583 26.061 3.023 1.00 0.00 C ATOM 1795 CZ PHE A 117 6.413 25.492 1.775 1.00 0.00 C ATOM 0 H PHE A 117 2.880 23.375 4.909 1.00 0.00 H new ATOM 0 HA PHE A 117 4.947 21.532 4.156 1.00 0.00 H new ATOM 0 HB2 PHE A 117 4.753 23.961 5.958 1.00 0.00 H new ATOM 0 HB3 PHE A 117 6.227 23.022 5.834 1.00 0.00 H new ATOM 0 HD1 PHE A 117 5.133 22.519 2.707 1.00 0.00 H new ATOM 0 HD2 PHE A 117 6.366 25.802 5.131 1.00 0.00 H new ATOM 0 HE1 PHE A 117 5.759 23.772 0.689 1.00 0.00 H new ATOM 0 HE2 PHE A 117 6.990 27.057 3.112 1.00 0.00 H new ATOM 0 HZ PHE A 117 6.687 26.043 0.888 1.00 0.00 H new ATOM 1805 N CYS A 118 4.123 19.867 5.934 1.00 0.00 N ATOM 1806 CA CYS A 118 4.079 18.822 6.958 1.00 0.00 C ATOM 1807 C CYS A 118 3.769 19.398 8.339 1.00 0.00 C ATOM 1808 O CYS A 118 4.469 19.117 9.312 1.00 0.00 O ATOM 1809 CB CYS A 118 5.404 18.060 6.990 1.00 0.00 C ATOM 1810 SG CYS A 118 5.685 17.002 5.532 1.00 0.00 S ATOM 0 H CYS A 118 3.826 19.553 5.010 1.00 0.00 H new ATOM 0 HA CYS A 118 3.274 18.135 6.697 1.00 0.00 H new ATOM 0 HB2 CYS A 118 6.222 18.776 7.070 1.00 0.00 H new ATOM 0 HB3 CYS A 118 5.434 17.441 7.887 1.00 0.00 H new ATOM 1815 N ASP A 119 2.717 20.209 8.413 1.00 0.00 N ATOM 1816 CA ASP A 119 2.314 20.831 9.670 1.00 0.00 C ATOM 1817 C ASP A 119 1.711 19.805 10.627 1.00 0.00 C ATOM 1818 O ASP A 119 1.337 20.142 11.750 1.00 0.00 O ATOM 1819 CB ASP A 119 1.308 21.951 9.407 1.00 0.00 C ATOM 1820 CG ASP A 119 1.980 23.291 9.181 1.00 0.00 C ATOM 1821 OD1 ASP A 119 2.829 23.677 10.013 1.00 0.00 O ATOM 1822 OD2 ASP A 119 1.660 23.955 8.173 1.00 0.00 O ATOM 0 H ASP A 119 2.128 20.451 7.616 1.00 0.00 H new ATOM 0 HA ASP A 119 3.205 21.250 10.137 1.00 0.00 H new ATOM 0 HB2 ASP A 119 0.706 21.698 8.534 1.00 0.00 H new ATOM 0 HB3 ASP A 119 0.625 22.028 10.253 1.00 0.00 H new ATOM 1827 N ARG A 120 1.625 18.555 10.175 1.00 0.00 N ATOM 1828 CA ARG A 120 1.071 17.475 10.989 1.00 0.00 C ATOM 1829 C ARG A 120 -0.399 17.725 11.315 1.00 0.00 C ATOM 1830 O ARG A 120 -0.736 18.675 12.020 1.00 0.00 O ATOM 1831 CB ARG A 120 1.874 17.317 12.281 1.00 0.00 C ATOM 1832 CG ARG A 120 2.189 15.872 12.626 1.00 0.00 C ATOM 1833 CD ARG A 120 3.623 15.516 12.272 1.00 0.00 C ATOM 1834 NE ARG A 120 4.513 15.617 13.425 1.00 0.00 N ATOM 1835 CZ ARG A 120 4.747 14.615 14.267 1.00 0.00 C ATOM 1836 NH1 ARG A 120 4.160 13.439 14.084 1.00 0.00 N ATOM 1837 NH2 ARG A 120 5.570 14.786 15.292 1.00 0.00 N ATOM 0 H ARG A 120 1.933 18.265 9.247 1.00 0.00 H new ATOM 0 HA ARG A 120 1.139 16.553 10.411 1.00 0.00 H new ATOM 0 HB2 ARG A 120 2.808 17.872 12.189 1.00 0.00 H new ATOM 0 HB3 ARG A 120 1.316 17.765 13.103 1.00 0.00 H new ATOM 0 HG2 ARG A 120 2.024 15.707 13.691 1.00 0.00 H new ATOM 0 HG3 ARG A 120 1.506 15.212 12.091 1.00 0.00 H new ATOM 0 HD2 ARG A 120 3.657 14.501 11.876 1.00 0.00 H new ATOM 0 HD3 ARG A 120 3.977 16.179 11.482 1.00 0.00 H new ATOM 0 HE ARG A 120 4.982 16.507 13.594 1.00 0.00 H new ATOM 0 HH11 ARG A 120 3.527 13.302 13.296 1.00 0.00 H new ATOM 0 HH12 ARG A 120 4.341 12.672 14.732 1.00 0.00 H new ATOM 0 HH21 ARG A 120 6.025 15.687 15.436 1.00 0.00 H new ATOM 0 HH22 ARG A 120 5.748 14.016 15.937 1.00 0.00 H new ATOM 1851 N LYS A 121 -1.268 16.863 10.796 1.00 0.00 N ATOM 1852 CA LYS A 121 -2.703 16.988 11.033 1.00 0.00 C ATOM 1853 C LYS A 121 -3.447 15.744 10.557 1.00 0.00 C ATOM 1854 O LYS A 121 -4.615 15.816 10.173 1.00 0.00 O ATOM 1855 CB LYS A 121 -3.252 18.226 10.321 1.00 0.00 C ATOM 1856 CG LYS A 121 -4.190 19.057 11.181 1.00 0.00 C ATOM 1857 CD LYS A 121 -3.546 20.371 11.595 1.00 0.00 C ATOM 1858 CE LYS A 121 -4.126 20.886 12.903 1.00 0.00 C ATOM 1859 NZ LYS A 121 -5.577 21.195 12.785 1.00 0.00 N ATOM 0 H LYS A 121 -1.005 16.071 10.209 1.00 0.00 H new ATOM 0 HA LYS A 121 -2.859 17.093 12.107 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -2.418 18.850 10.000 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -3.780 17.913 9.420 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -5.109 19.258 10.630 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -4.469 18.491 12.070 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -2.470 20.233 11.702 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -3.696 21.114 10.812 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -3.976 20.141 13.684 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -3.588 21.783 13.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -5.929 21.559 13.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -5.720 21.912 12.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -6.097 20.330 12.534 1.00 0.00 H new ATOM 1872 N LEU A 122 -2.765 14.602 10.583 1.00 0.00 N ATOM 1873 CA LEU A 122 -3.366 13.345 10.149 1.00 0.00 C ATOM 1874 C LEU A 122 -3.333 12.306 11.265 1.00 0.00 C ATOM 1875 O LEU A 122 -2.799 12.556 12.346 1.00 0.00 O ATOM 1876 CB LEU A 122 -2.637 12.810 8.917 1.00 0.00 C ATOM 1877 CG LEU A 122 -2.585 13.773 7.731 1.00 0.00 C ATOM 1878 CD1 LEU A 122 -1.151 14.185 7.440 1.00 0.00 C ATOM 1879 CD2 LEU A 122 -3.221 13.138 6.505 1.00 0.00 C ATOM 0 H LEU A 122 -1.799 14.521 10.899 1.00 0.00 H new ATOM 0 HA LEU A 122 -4.408 13.539 9.894 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -1.617 12.551 9.201 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -3.123 11.888 8.597 1.00 0.00 H new ATOM 0 HG LEU A 122 -3.151 14.669 7.987 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -1.134 14.870 6.593 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -0.730 14.680 8.315 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -0.559 13.301 7.203 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -3.176 13.836 5.669 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -2.682 12.227 6.246 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -4.262 12.895 6.720 1.00 0.00 H new ATOM 1891 N GLY A 123 -3.911 11.139 10.994 1.00 0.00 N ATOM 1892 CA GLY A 123 -3.939 10.076 11.982 1.00 0.00 C ATOM 1893 C GLY A 123 -4.109 8.703 11.358 1.00 0.00 C ATOM 1894 O GLY A 123 -4.561 7.767 12.018 1.00 0.00 O ATOM 0 H GLY A 123 -4.361 10.911 10.107 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -3.014 10.097 12.559 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -4.755 10.257 12.681 1.00 0.00 H new ATOM 1898 N ALA A 124 -3.746 8.584 10.085 1.00 0.00 N ATOM 1899 CA ALA A 124 -3.860 7.317 9.371 1.00 0.00 C ATOM 1900 C ALA A 124 -2.773 7.192 8.311 1.00 0.00 C ATOM 1901 O ALA A 124 -2.518 8.134 7.562 1.00 0.00 O ATOM 1902 CB ALA A 124 -5.237 7.190 8.738 1.00 0.00 C ATOM 0 H ALA A 124 -3.370 9.350 9.526 1.00 0.00 H new ATOM 0 HA ALA A 124 -3.729 6.507 10.088 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -5.308 6.240 8.209 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -6.000 7.230 9.515 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -5.392 8.009 8.036 1.00 0.00 H new ATOM 1908 N TRP A 125 -2.143 6.020 8.239 1.00 0.00 N ATOM 1909 CA TRP A 125 -1.093 5.782 7.259 1.00 0.00 C ATOM 1910 C TRP A 125 -1.616 4.893 6.145 1.00 0.00 C ATOM 1911 O TRP A 125 -2.192 3.835 6.402 1.00 0.00 O ATOM 1912 CB TRP A 125 0.134 5.144 7.916 1.00 0.00 C ATOM 1913 CG TRP A 125 -0.197 3.988 8.809 1.00 0.00 C ATOM 1914 CD1 TRP A 125 -0.598 4.049 10.111 1.00 0.00 C ATOM 1915 CD2 TRP A 125 -0.150 2.599 8.467 1.00 0.00 C ATOM 1916 NE1 TRP A 125 -0.808 2.783 10.600 1.00 0.00 N ATOM 1917 CE2 TRP A 125 -0.539 1.875 9.610 1.00 0.00 C ATOM 1918 CE3 TRP A 125 0.180 1.896 7.305 1.00 0.00 C ATOM 1919 CZ2 TRP A 125 -0.606 0.484 9.625 1.00 0.00 C ATOM 1920 CZ3 TRP A 125 0.114 0.515 7.321 1.00 0.00 C ATOM 1921 CH2 TRP A 125 -0.277 -0.178 8.474 1.00 0.00 C ATOM 0 H TRP A 125 -2.343 5.226 8.847 1.00 0.00 H new ATOM 0 HA TRP A 125 -0.791 6.741 6.838 1.00 0.00 H new ATOM 0 HB2 TRP A 125 0.818 4.807 7.138 1.00 0.00 H new ATOM 0 HB3 TRP A 125 0.660 5.902 8.497 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -0.731 4.960 10.675 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -1.114 2.556 11.546 1.00 0.00 H new ATOM 0 HE3 TRP A 125 0.481 2.422 6.411 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -0.907 -0.052 10.513 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 0.368 -0.039 6.429 1.00 0.00 H new ATOM 0 HH2 TRP A 125 -0.320 -1.257 8.454 1.00 0.00 H new ATOM 1932 N VAL A 126 -1.436 5.333 4.908 1.00 0.00 N ATOM 1933 CA VAL A 126 -1.918 4.572 3.774 1.00 0.00 C ATOM 1934 C VAL A 126 -0.843 4.381 2.708 1.00 0.00 C ATOM 1935 O VAL A 126 -0.208 5.333 2.255 1.00 0.00 O ATOM 1936 CB VAL A 126 -3.159 5.241 3.148 1.00 0.00 C ATOM 1937 CG1 VAL A 126 -3.157 6.737 3.414 1.00 0.00 C ATOM 1938 CG2 VAL A 126 -3.237 4.958 1.659 1.00 0.00 C ATOM 0 H VAL A 126 -0.964 6.205 4.669 1.00 0.00 H new ATOM 0 HA VAL A 126 -2.193 3.588 4.153 1.00 0.00 H new ATOM 0 HB VAL A 126 -4.045 4.813 3.618 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -4.041 7.188 2.963 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -3.167 6.915 4.489 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -2.262 7.182 2.980 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -4.121 5.441 1.243 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -2.345 5.347 1.167 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -3.301 3.882 1.496 1.00 0.00 H new ATOM 1948 N CYS A 127 -0.680 3.131 2.305 1.00 0.00 N ATOM 1949 CA CYS A 127 0.273 2.742 1.274 1.00 0.00 C ATOM 1950 C CYS A 127 -0.376 1.680 0.399 1.00 0.00 C ATOM 1951 O CYS A 127 -1.388 1.098 0.785 1.00 0.00 O ATOM 1952 CB CYS A 127 1.574 2.209 1.872 1.00 0.00 C ATOM 1953 SG CYS A 127 2.419 3.369 2.990 1.00 0.00 S ATOM 0 H CYS A 127 -1.211 2.348 2.688 1.00 0.00 H new ATOM 0 HA CYS A 127 0.531 3.621 0.683 1.00 0.00 H new ATOM 0 HB2 CYS A 127 1.359 1.290 2.417 1.00 0.00 H new ATOM 0 HB3 CYS A 127 2.252 1.947 1.060 1.00 0.00 H new ATOM 1958 N ASP A 128 0.181 1.429 -0.772 1.00 0.00 N ATOM 1959 CA ASP A 128 -0.389 0.436 -1.662 1.00 0.00 C ATOM 1960 C ASP A 128 0.642 -0.600 -2.070 1.00 0.00 C ATOM 1961 O ASP A 128 1.815 -0.291 -2.262 1.00 0.00 O ATOM 1962 CB ASP A 128 -0.964 1.110 -2.906 1.00 0.00 C ATOM 1963 CG ASP A 128 0.083 1.890 -3.678 1.00 0.00 C ATOM 1964 OD1 ASP A 128 0.627 2.865 -3.120 1.00 0.00 O ATOM 1965 OD2 ASP A 128 0.358 1.524 -4.840 1.00 0.00 O ATOM 0 H ASP A 128 1.018 1.893 -1.125 1.00 0.00 H new ATOM 0 HA ASP A 128 -1.188 -0.073 -1.123 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -1.402 0.353 -3.556 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -1.770 1.782 -2.612 1.00 0.00 H new ATOM 1970 N ARG A 129 0.176 -1.829 -2.207 1.00 0.00 N ATOM 1971 CA ARG A 129 1.023 -2.945 -2.597 1.00 0.00 C ATOM 1972 C ARG A 129 0.187 -4.027 -3.263 1.00 0.00 C ATOM 1973 O ARG A 129 -1.036 -4.048 -3.127 1.00 0.00 O ATOM 1974 CB ARG A 129 1.743 -3.522 -1.376 1.00 0.00 C ATOM 1975 CG ARG A 129 0.814 -4.219 -0.393 1.00 0.00 C ATOM 1976 CD ARG A 129 1.231 -5.662 -0.162 1.00 0.00 C ATOM 1977 NE ARG A 129 1.300 -5.989 1.259 1.00 0.00 N ATOM 1978 CZ ARG A 129 1.966 -7.034 1.744 1.00 0.00 C ATOM 1979 NH1 ARG A 129 2.618 -7.848 0.925 1.00 0.00 N ATOM 1980 NH2 ARG A 129 1.981 -7.264 3.050 1.00 0.00 N ATOM 0 H ARG A 129 -0.800 -2.082 -2.051 1.00 0.00 H new ATOM 0 HA ARG A 129 1.769 -2.583 -3.305 1.00 0.00 H new ATOM 0 HB2 ARG A 129 2.500 -4.231 -1.712 1.00 0.00 H new ATOM 0 HB3 ARG A 129 2.267 -2.717 -0.860 1.00 0.00 H new ATOM 0 HG2 ARG A 129 0.817 -3.682 0.555 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -0.207 -4.190 -0.773 1.00 0.00 H new ATOM 0 HD2 ARG A 129 0.522 -6.328 -0.653 1.00 0.00 H new ATOM 0 HD3 ARG A 129 2.204 -5.837 -0.622 1.00 0.00 H new ATOM 0 HE ARG A 129 0.810 -5.383 1.917 1.00 0.00 H new ATOM 0 HH11 ARG A 129 2.610 -7.674 -0.080 1.00 0.00 H new ATOM 0 HH12 ARG A 129 3.128 -8.648 1.300 1.00 0.00 H new ATOM 0 HH21 ARG A 129 1.482 -6.640 3.684 1.00 0.00 H new ATOM 0 HH22 ARG A 129 2.492 -8.065 3.421 1.00 0.00 H new ATOM 1994 N LEU A 130 0.846 -4.924 -3.980 1.00 0.00 N ATOM 1995 CA LEU A 130 0.148 -6.005 -4.660 1.00 0.00 C ATOM 1996 C LEU A 130 -0.387 -7.020 -3.657 1.00 0.00 C ATOM 1997 O LEU A 130 0.326 -7.443 -2.745 1.00 0.00 O ATOM 1998 CB LEU A 130 1.078 -6.687 -5.666 1.00 0.00 C ATOM 1999 CG LEU A 130 1.161 -6.018 -7.046 1.00 0.00 C ATOM 2000 CD1 LEU A 130 0.379 -6.823 -8.073 1.00 0.00 C ATOM 2001 CD2 LEU A 130 0.652 -4.581 -6.997 1.00 0.00 C ATOM 0 H LEU A 130 1.858 -4.926 -4.106 1.00 0.00 H new ATOM 0 HA LEU A 130 -0.699 -5.580 -5.199 1.00 0.00 H new ATOM 0 HB2 LEU A 130 2.080 -6.726 -5.239 1.00 0.00 H new ATOM 0 HB3 LEU A 130 0.748 -7.717 -5.800 1.00 0.00 H new ATOM 0 HG LEU A 130 2.209 -5.992 -7.343 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.447 -6.336 -9.046 1.00 0.00 H new ATOM 0 HD12 LEU A 130 0.795 -7.828 -8.140 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -0.666 -6.882 -7.770 1.00 0.00 H new ATOM 0 HD21 LEU A 130 0.724 -4.135 -7.989 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -0.388 -4.574 -6.671 1.00 0.00 H new ATOM 0 HD23 LEU A 130 1.256 -4.005 -6.296 1.00 0.00 H new ATOM 2013 N ALA A 131 -1.650 -7.399 -3.824 1.00 0.00 N ATOM 2014 CA ALA A 131 -2.287 -8.357 -2.928 1.00 0.00 C ATOM 2015 C ALA A 131 -1.908 -9.789 -3.282 1.00 0.00 C ATOM 2016 O ALA A 131 -2.206 -10.270 -4.376 1.00 0.00 O ATOM 2017 CB ALA A 131 -3.799 -8.185 -2.960 1.00 0.00 C ATOM 0 H ALA A 131 -2.253 -7.057 -4.572 1.00 0.00 H new ATOM 0 HA ALA A 131 -1.929 -8.159 -1.918 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -4.262 -8.907 -2.287 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -4.057 -7.175 -2.642 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -4.163 -8.350 -3.974 1.00 0.00 H new ATOM 2023 N THR A 132 -1.252 -10.467 -2.346 1.00 0.00 N ATOM 2024 CA THR A 132 -0.834 -11.846 -2.550 1.00 0.00 C ATOM 2025 C THR A 132 -1.225 -12.714 -1.358 1.00 0.00 C ATOM 2026 O THR A 132 -0.936 -12.376 -0.210 1.00 0.00 O ATOM 2027 CB THR A 132 0.677 -11.917 -2.774 1.00 0.00 C ATOM 2028 OG1 THR A 132 1.376 -11.580 -1.588 1.00 0.00 O ATOM 2029 CG2 THR A 132 1.164 -10.997 -3.872 1.00 0.00 C ATOM 0 H THR A 132 -0.999 -10.081 -1.437 1.00 0.00 H new ATOM 0 HA THR A 132 -1.342 -12.226 -3.436 1.00 0.00 H new ATOM 0 HB THR A 132 0.877 -12.947 -3.071 1.00 0.00 H new ATOM 0 HG1 THR A 132 0.797 -11.734 -0.812 1.00 0.00 H new ATOM 0 HG21 THR A 132 2.244 -11.097 -3.978 1.00 0.00 H new ATOM 0 HG22 THR A 132 0.681 -11.264 -4.812 1.00 0.00 H new ATOM 0 HG23 THR A 132 0.919 -9.966 -3.618 1.00 0.00 H new ATOM 2037 N CYS A 133 -1.887 -13.833 -1.636 1.00 0.00 N ATOM 2038 CA CYS A 133 -2.320 -14.747 -0.585 1.00 0.00 C ATOM 2039 C CYS A 133 -1.479 -16.020 -0.586 1.00 0.00 C ATOM 2040 O CYS A 133 -1.958 -17.092 -0.215 1.00 0.00 O ATOM 2041 CB CYS A 133 -3.798 -15.098 -0.762 1.00 0.00 C ATOM 2042 SG CYS A 133 -4.786 -14.940 0.761 1.00 0.00 S ATOM 0 H CYS A 133 -2.135 -14.128 -2.580 1.00 0.00 H new ATOM 0 HA CYS A 133 -2.184 -14.246 0.374 1.00 0.00 H new ATOM 0 HB2 CYS A 133 -4.225 -14.451 -1.528 1.00 0.00 H new ATOM 0 HB3 CYS A 133 -3.876 -16.121 -1.129 1.00 0.00 H new ATOM 2047 N THR A 134 -0.222 -15.894 -1.000 1.00 0.00 N ATOM 2048 CA THR A 134 0.686 -17.035 -1.045 1.00 0.00 C ATOM 2049 C THR A 134 1.834 -16.854 -0.054 1.00 0.00 C ATOM 2050 O THR A 134 2.886 -16.317 -0.401 1.00 0.00 O ATOM 2051 CB THR A 134 1.237 -17.224 -2.460 1.00 0.00 C ATOM 2052 OG1 THR A 134 2.402 -18.027 -2.442 1.00 0.00 O ATOM 2053 CG2 THR A 134 1.588 -15.921 -3.147 1.00 0.00 C ATOM 0 H THR A 134 0.191 -15.014 -1.309 1.00 0.00 H new ATOM 0 HA THR A 134 0.125 -17.926 -0.764 1.00 0.00 H new ATOM 0 HB THR A 134 0.434 -17.705 -3.019 1.00 0.00 H new ATOM 0 HG1 THR A 134 2.738 -18.137 -3.356 1.00 0.00 H new ATOM 0 HG21 THR A 134 1.972 -16.128 -4.146 1.00 0.00 H new ATOM 0 HG22 THR A 134 0.697 -15.298 -3.223 1.00 0.00 H new ATOM 0 HG23 THR A 134 2.348 -15.397 -2.567 1.00 0.00 H new ATOM 2061 N PRO A 135 1.646 -17.300 1.201 1.00 0.00 N ATOM 2062 CA PRO A 135 2.670 -17.182 2.244 1.00 0.00 C ATOM 2063 C PRO A 135 3.841 -18.136 2.019 1.00 0.00 C ATOM 2064 O PRO A 135 3.687 -19.182 1.388 1.00 0.00 O ATOM 2065 CB PRO A 135 1.918 -17.553 3.522 1.00 0.00 C ATOM 2066 CG PRO A 135 0.818 -18.447 3.066 1.00 0.00 C ATOM 2067 CD PRO A 135 0.420 -17.951 1.702 1.00 0.00 C ATOM 0 HA PRO A 135 3.114 -16.187 2.268 1.00 0.00 H new ATOM 0 HB2 PRO A 135 2.571 -18.059 4.233 1.00 0.00 H new ATOM 0 HB3 PRO A 135 1.527 -16.667 4.023 1.00 0.00 H new ATOM 0 HG2 PRO A 135 1.151 -19.484 3.022 1.00 0.00 H new ATOM 0 HG3 PRO A 135 -0.025 -18.411 3.756 1.00 0.00 H new ATOM 0 HD2 PRO A 135 0.106 -18.769 1.053 1.00 0.00 H new ATOM 0 HD3 PRO A 135 -0.413 -17.250 1.757 1.00 0.00 H new ATOM 2075 N PRO A 136 5.034 -17.784 2.535 1.00 0.00 N ATOM 2076 CA PRO A 136 6.236 -18.615 2.387 1.00 0.00 C ATOM 2077 C PRO A 136 6.022 -20.037 2.895 1.00 0.00 C ATOM 2078 O PRO A 136 6.017 -20.280 4.103 1.00 0.00 O ATOM 2079 CB PRO A 136 7.280 -17.892 3.243 1.00 0.00 C ATOM 2080 CG PRO A 136 6.805 -16.483 3.319 1.00 0.00 C ATOM 2081 CD PRO A 136 5.304 -16.552 3.299 1.00 0.00 C ATOM 0 HA PRO A 136 6.527 -18.726 1.343 1.00 0.00 H new ATOM 0 HB2 PRO A 136 7.355 -18.338 4.235 1.00 0.00 H new ATOM 0 HB3 PRO A 136 8.270 -17.951 2.792 1.00 0.00 H new ATOM 0 HG2 PRO A 136 7.162 -15.999 4.228 1.00 0.00 H new ATOM 0 HG3 PRO A 136 7.180 -15.899 2.479 1.00 0.00 H new ATOM 0 HD2 PRO A 136 4.890 -16.604 4.306 1.00 0.00 H new ATOM 0 HD3 PRO A 136 4.867 -15.676 2.819 1.00 0.00 H new ATOM 2089 N ALA A 137 5.848 -20.971 1.966 1.00 0.00 N ATOM 2090 CA ALA A 137 5.635 -22.370 2.319 1.00 0.00 C ATOM 2091 C ALA A 137 6.499 -23.289 1.463 1.00 0.00 C ATOM 2092 O ALA A 137 6.872 -24.382 1.890 1.00 0.00 O ATOM 2093 CB ALA A 137 4.166 -22.733 2.169 1.00 0.00 C ATOM 0 H ALA A 137 5.850 -20.785 0.963 1.00 0.00 H new ATOM 0 HA ALA A 137 5.927 -22.506 3.360 1.00 0.00 H new ATOM 0 HB1 ALA A 137 4.021 -23.780 2.436 1.00 0.00 H new ATOM 0 HB2 ALA A 137 3.567 -22.104 2.828 1.00 0.00 H new ATOM 0 HB3 ALA A 137 3.856 -22.575 1.136 1.00 0.00 H new ATOM 2099 N SER A 138 6.812 -22.839 0.252 1.00 0.00 N ATOM 2100 CA SER A 138 7.633 -23.621 -0.666 1.00 0.00 C ATOM 2101 C SER A 138 9.086 -23.653 -0.204 1.00 0.00 C ATOM 2102 O SER A 138 9.445 -23.028 0.794 1.00 0.00 O ATOM 2103 CB SER A 138 7.548 -23.043 -2.079 1.00 0.00 C ATOM 2104 OG SER A 138 7.919 -24.006 -3.049 1.00 0.00 O ATOM 0 H SER A 138 6.510 -21.937 -0.116 1.00 0.00 H new ATOM 0 HA SER A 138 7.251 -24.642 -0.675 1.00 0.00 H new ATOM 0 HB2 SER A 138 6.532 -22.699 -2.274 1.00 0.00 H new ATOM 0 HB3 SER A 138 8.200 -22.173 -2.159 1.00 0.00 H new ATOM 0 HG SER A 138 7.854 -23.611 -3.944 1.00 0.00 H new ATOM 2110 N GLU A 139 9.918 -24.386 -0.937 1.00 0.00 N ATOM 2111 CA GLU A 139 11.334 -24.500 -0.603 1.00 0.00 C ATOM 2112 C GLU A 139 12.063 -23.187 -0.865 1.00 0.00 C ATOM 2113 O GLU A 139 12.096 -22.699 -1.995 1.00 0.00 O ATOM 2114 CB GLU A 139 11.981 -25.626 -1.411 1.00 0.00 C ATOM 2115 CG GLU A 139 12.983 -26.447 -0.616 1.00 0.00 C ATOM 2116 CD GLU A 139 13.835 -27.339 -1.497 1.00 0.00 C ATOM 2117 OE1 GLU A 139 14.874 -26.861 -2.000 1.00 0.00 O ATOM 2118 OE2 GLU A 139 13.464 -28.517 -1.685 1.00 0.00 O ATOM 0 H GLU A 139 9.637 -24.910 -1.766 1.00 0.00 H new ATOM 0 HA GLU A 139 11.413 -24.732 0.459 1.00 0.00 H new ATOM 0 HB2 GLU A 139 11.200 -26.287 -1.788 1.00 0.00 H new ATOM 0 HB3 GLU A 139 12.482 -25.197 -2.279 1.00 0.00 H new ATOM 0 HG2 GLU A 139 13.630 -25.776 -0.051 1.00 0.00 H new ATOM 0 HG3 GLU A 139 12.450 -27.062 0.109 1.00 0.00 H new ATOM 2125 N GLY A 140 12.645 -22.618 0.187 1.00 0.00 N ATOM 2126 CA GLY A 140 13.366 -21.367 0.050 1.00 0.00 C ATOM 2127 C GLY A 140 13.920 -20.870 1.371 1.00 0.00 C ATOM 2128 O GLY A 140 15.116 -20.997 1.637 1.00 0.00 O ATOM 0 H GLY A 140 12.629 -23.002 1.132 1.00 0.00 H new ATOM 0 HA2 GLY A 140 14.185 -21.499 -0.657 1.00 0.00 H new ATOM 0 HA3 GLY A 140 12.701 -20.612 -0.369 1.00 0.00 H new ATOM 2132 N SER A 141 13.049 -20.304 2.200 1.00 0.00 N ATOM 2133 CA SER A 141 13.457 -19.787 3.502 1.00 0.00 C ATOM 2134 C SER A 141 12.753 -20.534 4.629 1.00 0.00 C ATOM 2135 O SER A 141 13.401 -21.120 5.497 1.00 0.00 O ATOM 2136 CB SER A 141 13.152 -18.291 3.598 1.00 0.00 C ATOM 2137 OG SER A 141 13.521 -17.775 4.864 1.00 0.00 O ATOM 0 H SER A 141 12.056 -20.192 1.994 1.00 0.00 H new ATOM 0 HA SER A 141 14.531 -19.940 3.605 1.00 0.00 H new ATOM 0 HB2 SER A 141 13.688 -17.756 2.814 1.00 0.00 H new ATOM 0 HB3 SER A 141 12.089 -18.122 3.429 1.00 0.00 H new ATOM 0 HG SER A 141 13.317 -16.817 4.899 1.00 0.00 H new ATOM 2143 N ALA A 142 11.423 -20.510 4.608 1.00 0.00 N ATOM 2144 CA ALA A 142 10.623 -21.184 5.626 1.00 0.00 C ATOM 2145 C ALA A 142 10.974 -20.684 7.023 1.00 0.00 C ATOM 2146 O ALA A 142 11.641 -19.662 7.179 1.00 0.00 O ATOM 2147 CB ALA A 142 10.816 -22.691 5.536 1.00 0.00 C ATOM 0 H ALA A 142 10.875 -20.029 3.894 1.00 0.00 H new ATOM 0 HA ALA A 142 9.574 -20.952 5.441 1.00 0.00 H new ATOM 0 HB1 ALA A 142 10.214 -23.181 6.301 1.00 0.00 H new ATOM 0 HB2 ALA A 142 10.505 -23.039 4.551 1.00 0.00 H new ATOM 0 HB3 ALA A 142 11.867 -22.933 5.692 1.00 0.00 H new ATOM 2153 N GLU A 143 10.518 -21.413 8.039 1.00 0.00 N ATOM 2154 CA GLU A 143 10.783 -21.043 9.425 1.00 0.00 C ATOM 2155 C GLU A 143 11.943 -21.855 9.992 1.00 0.00 C ATOM 2156 O GLU A 143 12.443 -22.749 9.278 1.00 0.00 O ATOM 2157 CB GLU A 143 9.531 -21.255 10.279 1.00 0.00 C ATOM 2158 CG GLU A 143 9.228 -20.095 11.211 1.00 0.00 C ATOM 2159 CD GLU A 143 7.819 -19.562 11.038 1.00 0.00 C ATOM 2160 OE1 GLU A 143 7.589 -18.788 10.084 1.00 0.00 O ATOM 2161 OE2 GLU A 143 6.945 -19.917 11.857 1.00 0.00 O ATOM 2162 OXT GLU A 143 12.343 -21.588 11.144 1.00 0.00 O ATOM 0 H GLU A 143 9.964 -22.262 7.928 1.00 0.00 H new ATOM 0 HA GLU A 143 11.056 -19.988 9.448 1.00 0.00 H new ATOM 0 HB2 GLU A 143 8.676 -21.415 9.622 1.00 0.00 H new ATOM 0 HB3 GLU A 143 9.654 -22.163 10.870 1.00 0.00 H new ATOM 0 HG2 GLU A 143 9.367 -20.417 12.243 1.00 0.00 H new ATOM 0 HG3 GLU A 143 9.942 -19.291 11.029 1.00 0.00 H new TER 2169 GLU A 143