USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 819 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 Single : A 1 VAL N :NH3+ -112:sc= -1.75 (180deg=-2.47!) USER MOD Single : A 2 SER OG : rot 26:sc= 0.0392 USER MOD Single : A 4 SER OG : rot -160:sc= 0.00341 USER MOD Single : A 5 TYR OH : rot -53:sc= 0.0725 USER MOD Single : A 9 TYR OH : rot 180:sc= -2.17 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl -130:sc= -1.48 (180deg=-2.41) USER MOD Single : A 17 SER OG : rot -77:sc= 1.18 USER MOD Single : A 21 SER OG : rot 71:sc= 0.14 USER MOD Single : A 22 ASN : amide:sc= -0.16 K(o=-0.16,f=-0.84) USER MOD Single : A 25 HIS : no HD1:sc= -2.93 K(o=-2.9,f=-2.4) USER MOD Single : A 28 MET CE :methyl 162:sc= -4.76! (180deg=-6.03!) USER MOD Single : A 30 GLN : amide:sc= -0.0306 K(o=-0.031,f=-1.8!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -1.33 X(o=-1.3,f=-1.2) USER MOD Single : A 54 SER OG : rot 50:sc= -2.76! USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 117:sc= 1.14 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.032 K(o=-0.032,f=-1.9!) USER MOD Single : A 69 ASN : amide:sc= -0.136 K(o=-0.14,f=-2.3!) USER MOD Single : A 70 SER OG : rot -150:sc= 0 USER MOD Single : A 78 SER OG : rot 107:sc= 0.0271 USER MOD Single : A 84 ASN : amide:sc= -2.16 K(o=-2.2,f=-4.6!) USER MOD Single : A 86 ASN : amide:sc= -4.43 K(o=-4.4,f=-10!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 85:sc= -0.88 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= -0.0231 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.00361 USER MOD Single : A 104 ASN : amide:sc= -0.248 K(o=-0.25,f=-2.1!) USER MOD Single : A 106 ASN : amide:sc= -0.0228 K(o=-0.023,f=-0.66) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -0.0355 K(o=-0.035,f=-1.4!) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= -0.207 K(o=-0.21,f=-1.6!) USER MOD Single : A 117 ASN : amide:sc= -1.95 K(o=-1.9,f=-2.9!) USER MOD Single : A 120 ASN : amide:sc= -0.0463 K(o=-0.046,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 90.822 -3.381 13.802 1.00 0.00 N ATOM 2 CA VAL A 1 90.615 -3.860 12.403 1.00 0.00 C ATOM 3 C VAL A 1 91.849 -4.599 11.877 1.00 0.00 C ATOM 4 O VAL A 1 92.970 -4.316 12.265 1.00 0.00 O ATOM 5 CB VAL A 1 90.375 -2.592 11.574 1.00 0.00 C ATOM 6 CG1 VAL A 1 89.084 -1.918 12.043 1.00 0.00 C ATOM 7 CG2 VAL A 1 91.552 -1.624 11.740 1.00 0.00 C ATOM 0 H1 VAL A 1 90.199 -3.909 14.446 1.00 0.00 H new ATOM 0 H2 VAL A 1 91.813 -3.533 14.078 1.00 0.00 H new ATOM 0 H3 VAL A 1 90.599 -2.367 13.858 1.00 0.00 H new ATOM 0 HA VAL A 1 89.783 -4.562 12.347 1.00 0.00 H new ATOM 0 HB VAL A 1 90.286 -2.862 10.522 1.00 0.00 H new ATOM 0 HG11 VAL A 1 88.910 -1.016 11.456 1.00 0.00 H new ATOM 0 HG12 VAL A 1 88.247 -2.604 11.911 1.00 0.00 H new ATOM 0 HG13 VAL A 1 89.174 -1.653 13.097 1.00 0.00 H new ATOM 0 HG21 VAL A 1 91.372 -0.727 11.147 1.00 0.00 H new ATOM 0 HG22 VAL A 1 91.653 -1.351 12.790 1.00 0.00 H new ATOM 0 HG23 VAL A 1 92.469 -2.105 11.400 1.00 0.00 H new ATOM 17 N SER A 2 91.644 -5.543 10.995 1.00 0.00 N ATOM 18 CA SER A 2 92.789 -6.308 10.419 1.00 0.00 C ATOM 19 C SER A 2 92.950 -5.961 8.937 1.00 0.00 C ATOM 20 O SER A 2 91.984 -5.818 8.212 1.00 0.00 O ATOM 21 CB SER A 2 92.417 -7.779 10.594 1.00 0.00 C ATOM 22 OG SER A 2 91.207 -8.042 9.895 1.00 0.00 O ATOM 0 H SER A 2 90.726 -5.818 10.647 1.00 0.00 H new ATOM 0 HA SER A 2 93.735 -6.074 10.908 1.00 0.00 H new ATOM 0 HB2 SER A 2 93.216 -8.416 10.215 1.00 0.00 H new ATOM 0 HB3 SER A 2 92.298 -8.013 11.652 1.00 0.00 H new ATOM 0 HG SER A 2 91.110 -7.404 9.158 1.00 0.00 H new ATOM 28 N ILE A 3 94.170 -5.824 8.491 1.00 0.00 N ATOM 29 CA ILE A 3 94.424 -5.482 7.060 1.00 0.00 C ATOM 30 C ILE A 3 95.051 -6.661 6.323 1.00 0.00 C ATOM 31 O ILE A 3 95.844 -7.397 6.871 1.00 0.00 O ATOM 32 CB ILE A 3 95.400 -4.299 7.081 1.00 0.00 C ATOM 33 CG1 ILE A 3 96.675 -4.669 7.850 1.00 0.00 C ATOM 34 CG2 ILE A 3 94.734 -3.099 7.751 1.00 0.00 C ATOM 35 CD1 ILE A 3 97.772 -3.658 7.519 1.00 0.00 C ATOM 0 H ILE A 3 95.009 -5.935 9.061 1.00 0.00 H new ATOM 0 HA ILE A 3 93.496 -5.238 6.543 1.00 0.00 H new ATOM 0 HB ILE A 3 95.667 -4.048 6.055 1.00 0.00 H new ATOM 0 HG12 ILE A 3 96.479 -4.673 8.922 1.00 0.00 H new ATOM 0 HG13 ILE A 3 96.997 -5.675 7.581 1.00 0.00 H new ATOM 0 HG21 ILE A 3 95.428 -2.259 7.766 1.00 0.00 H new ATOM 0 HG22 ILE A 3 93.840 -2.821 7.193 1.00 0.00 H new ATOM 0 HG23 ILE A 3 94.458 -3.360 8.773 1.00 0.00 H new ATOM 0 HD11 ILE A 3 98.681 -3.916 8.063 1.00 0.00 H new ATOM 0 HD12 ILE A 3 97.973 -3.676 6.448 1.00 0.00 H new ATOM 0 HD13 ILE A 3 97.446 -2.659 7.810 1.00 0.00 H new ATOM 47 N SER A 4 94.708 -6.831 5.075 1.00 0.00 N ATOM 48 CA SER A 4 95.282 -7.942 4.268 1.00 0.00 C ATOM 49 C SER A 4 95.537 -7.425 2.854 1.00 0.00 C ATOM 50 O SER A 4 95.329 -6.259 2.574 1.00 0.00 O ATOM 51 CB SER A 4 94.217 -9.037 4.258 1.00 0.00 C ATOM 52 OG SER A 4 94.509 -9.985 5.275 1.00 0.00 O ATOM 0 H SER A 4 94.045 -6.238 4.575 1.00 0.00 H new ATOM 0 HA SER A 4 96.222 -8.320 4.669 1.00 0.00 H new ATOM 0 HB2 SER A 4 93.231 -8.603 4.422 1.00 0.00 H new ATOM 0 HB3 SER A 4 94.192 -9.527 3.285 1.00 0.00 H new ATOM 0 HG SER A 4 94.044 -10.826 5.082 1.00 0.00 H new ATOM 58 N TYR A 5 95.970 -8.273 1.958 1.00 0.00 N ATOM 59 CA TYR A 5 96.214 -7.807 0.559 1.00 0.00 C ATOM 60 C TYR A 5 95.750 -8.865 -0.446 1.00 0.00 C ATOM 61 O TYR A 5 95.923 -10.050 -0.230 1.00 0.00 O ATOM 62 CB TYR A 5 97.730 -7.587 0.463 1.00 0.00 C ATOM 63 CG TYR A 5 98.469 -8.867 0.777 1.00 0.00 C ATOM 64 CD1 TYR A 5 98.843 -9.157 2.096 1.00 0.00 C ATOM 65 CD2 TYR A 5 98.787 -9.763 -0.252 1.00 0.00 C ATOM 66 CE1 TYR A 5 99.532 -10.339 2.384 1.00 0.00 C ATOM 67 CE2 TYR A 5 99.476 -10.947 0.038 1.00 0.00 C ATOM 68 CZ TYR A 5 99.848 -11.235 1.356 1.00 0.00 C ATOM 69 OH TYR A 5 100.528 -12.402 1.641 1.00 0.00 O ATOM 0 H TYR A 5 96.164 -9.259 2.131 1.00 0.00 H new ATOM 0 HA TYR A 5 95.661 -6.896 0.329 1.00 0.00 H new ATOM 0 HB2 TYR A 5 97.992 -7.245 -0.538 1.00 0.00 H new ATOM 0 HB3 TYR A 5 98.035 -6.804 1.157 1.00 0.00 H new ATOM 0 HD1 TYR A 5 98.599 -8.467 2.890 1.00 0.00 H new ATOM 0 HD2 TYR A 5 98.501 -9.540 -1.269 1.00 0.00 H new ATOM 0 HE1 TYR A 5 99.821 -10.561 3.401 1.00 0.00 H new ATOM 0 HE2 TYR A 5 99.720 -11.638 -0.755 1.00 0.00 H new ATOM 0 HH TYR A 5 101.343 -12.191 2.143 1.00 0.00 H new ATOM 79 N ASP A 6 95.171 -8.447 -1.548 1.00 0.00 N ATOM 80 CA ASP A 6 94.712 -9.434 -2.570 1.00 0.00 C ATOM 81 C ASP A 6 95.102 -8.966 -3.981 1.00 0.00 C ATOM 82 O ASP A 6 95.209 -7.780 -4.225 1.00 0.00 O ATOM 83 CB ASP A 6 93.191 -9.493 -2.424 1.00 0.00 C ATOM 84 CG ASP A 6 92.817 -10.187 -1.109 1.00 0.00 C ATOM 85 OD1 ASP A 6 93.615 -10.973 -0.622 1.00 0.00 O1- ATOM 86 OD2 ASP A 6 91.731 -9.927 -0.617 1.00 0.00 O ATOM 0 H ASP A 6 94.998 -7.469 -1.780 1.00 0.00 H new ATOM 0 HA ASP A 6 95.170 -10.412 -2.424 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.776 -8.485 -2.444 1.00 0.00 H new ATOM 0 HB3 ASP A 6 92.757 -10.033 -3.266 1.00 0.00 H new ATOM 91 N PRO A 7 95.299 -9.913 -4.878 1.00 0.00 N ATOM 92 CA PRO A 7 95.671 -9.563 -6.273 1.00 0.00 C ATOM 93 C PRO A 7 94.452 -9.071 -7.076 1.00 0.00 C ATOM 94 O PRO A 7 94.566 -8.741 -8.241 1.00 0.00 O ATOM 95 CB PRO A 7 96.189 -10.879 -6.846 1.00 0.00 C ATOM 96 CG PRO A 7 95.529 -11.952 -6.039 1.00 0.00 C ATOM 97 CD PRO A 7 95.200 -11.371 -4.688 1.00 0.00 C ATOM 0 HA PRO A 7 96.400 -8.754 -6.317 1.00 0.00 H new ATOM 0 HB2 PRO A 7 95.939 -10.973 -7.903 1.00 0.00 H new ATOM 0 HB3 PRO A 7 97.274 -10.941 -6.768 1.00 0.00 H new ATOM 0 HG2 PRO A 7 94.624 -12.302 -6.536 1.00 0.00 H new ATOM 0 HG3 PRO A 7 96.189 -12.813 -5.935 1.00 0.00 H new ATOM 0 HD2 PRO A 7 94.201 -11.662 -4.364 1.00 0.00 H new ATOM 0 HD3 PRO A 7 95.897 -11.720 -3.926 1.00 0.00 H new ATOM 105 N ILE A 8 93.292 -9.021 -6.464 1.00 0.00 N ATOM 106 CA ILE A 8 92.067 -8.555 -7.186 1.00 0.00 C ATOM 107 C ILE A 8 92.137 -7.050 -7.489 1.00 0.00 C ATOM 108 O ILE A 8 91.375 -6.550 -8.296 1.00 0.00 O ATOM 109 CB ILE A 8 90.902 -8.887 -6.243 1.00 0.00 C ATOM 110 CG1 ILE A 8 89.581 -8.474 -6.886 1.00 0.00 C ATOM 111 CG2 ILE A 8 91.070 -8.141 -4.916 1.00 0.00 C ATOM 112 CD1 ILE A 8 89.297 -9.364 -8.101 1.00 0.00 C ATOM 0 H ILE A 8 93.142 -9.285 -5.490 1.00 0.00 H new ATOM 0 HA ILE A 8 91.954 -9.041 -8.155 1.00 0.00 H new ATOM 0 HB ILE A 8 90.899 -9.961 -6.056 1.00 0.00 H new ATOM 0 HG12 ILE A 8 88.771 -8.561 -6.162 1.00 0.00 H new ATOM 0 HG13 ILE A 8 89.625 -7.429 -7.191 1.00 0.00 H new ATOM 0 HG21 ILE A 8 90.238 -8.384 -4.254 1.00 0.00 H new ATOM 0 HG22 ILE A 8 92.007 -8.441 -4.446 1.00 0.00 H new ATOM 0 HG23 ILE A 8 91.085 -7.067 -5.102 1.00 0.00 H new ATOM 0 HD11 ILE A 8 88.353 -9.066 -8.557 1.00 0.00 H new ATOM 0 HD12 ILE A 8 90.102 -9.255 -8.828 1.00 0.00 H new ATOM 0 HD13 ILE A 8 89.234 -10.405 -7.783 1.00 0.00 H new ATOM 124 N TYR A 9 93.043 -6.329 -6.876 1.00 0.00 N ATOM 125 CA TYR A 9 93.146 -4.869 -7.169 1.00 0.00 C ATOM 126 C TYR A 9 94.498 -4.521 -7.797 1.00 0.00 C ATOM 127 O TYR A 9 95.316 -3.825 -7.237 1.00 0.00 O ATOM 128 CB TYR A 9 92.908 -4.135 -5.851 1.00 0.00 C ATOM 129 CG TYR A 9 91.509 -4.428 -5.358 1.00 0.00 C ATOM 130 CD1 TYR A 9 90.406 -4.191 -6.192 1.00 0.00 C ATOM 131 CD2 TYR A 9 91.314 -4.935 -4.068 1.00 0.00 C ATOM 132 CE1 TYR A 9 89.110 -4.463 -5.734 1.00 0.00 C ATOM 133 CE2 TYR A 9 90.018 -5.205 -3.611 1.00 0.00 C ATOM 134 CZ TYR A 9 88.920 -4.970 -4.442 1.00 0.00 C ATOM 135 OH TYR A 9 87.648 -5.243 -3.985 1.00 0.00 O ATOM 0 H TYR A 9 93.710 -6.686 -6.191 1.00 0.00 H new ATOM 0 HA TYR A 9 92.401 -4.563 -7.904 1.00 0.00 H new ATOM 0 HB2 TYR A 9 93.641 -4.451 -5.109 1.00 0.00 H new ATOM 0 HB3 TYR A 9 93.039 -3.062 -5.991 1.00 0.00 H new ATOM 0 HD1 TYR A 9 90.556 -3.799 -7.187 1.00 0.00 H new ATOM 0 HD2 TYR A 9 92.163 -5.118 -3.425 1.00 0.00 H new ATOM 0 HE1 TYR A 9 88.260 -4.282 -6.375 1.00 0.00 H new ATOM 0 HE2 TYR A 9 89.867 -5.595 -2.615 1.00 0.00 H new ATOM 0 HH TYR A 9 87.697 -5.589 -3.069 1.00 0.00 H new ATOM 145 N ALA A 10 94.678 -4.976 -9.011 1.00 0.00 N ATOM 146 CA ALA A 10 95.908 -4.673 -9.799 1.00 0.00 C ATOM 147 C ALA A 10 95.548 -3.637 -10.866 1.00 0.00 C ATOM 148 O ALA A 10 94.398 -3.292 -11.053 1.00 0.00 O ATOM 149 CB ALA A 10 96.364 -5.994 -10.421 1.00 0.00 C ATOM 0 H ALA A 10 94.002 -5.562 -9.501 1.00 0.00 H new ATOM 0 HA ALA A 10 96.713 -4.261 -9.190 1.00 0.00 H new ATOM 0 HB1 ALA A 10 97.265 -5.826 -11.011 1.00 0.00 H new ATOM 0 HB2 ALA A 10 96.576 -6.714 -9.631 1.00 0.00 H new ATOM 0 HB3 ALA A 10 95.576 -6.384 -11.065 1.00 0.00 H new ATOM 155 N ALA A 11 96.545 -3.081 -11.503 1.00 0.00 N ATOM 156 CA ALA A 11 96.306 -1.986 -12.497 1.00 0.00 C ATOM 157 C ALA A 11 95.413 -2.401 -13.672 1.00 0.00 C ATOM 158 O ALA A 11 94.720 -1.560 -14.219 1.00 0.00 O ATOM 159 CB ALA A 11 97.696 -1.571 -12.999 1.00 0.00 C ATOM 0 H ALA A 11 97.524 -3.339 -11.378 1.00 0.00 H new ATOM 0 HA ALA A 11 95.767 -1.169 -12.017 1.00 0.00 H new ATOM 0 HB1 ALA A 11 97.594 -0.771 -13.732 1.00 0.00 H new ATOM 0 HB2 ALA A 11 98.296 -1.220 -12.160 1.00 0.00 H new ATOM 0 HB3 ALA A 11 98.186 -2.427 -13.463 1.00 0.00 H new ATOM 165 N ASP A 12 95.434 -3.638 -14.116 1.00 0.00 N ATOM 166 CA ASP A 12 94.589 -3.981 -15.306 1.00 0.00 C ATOM 167 C ASP A 12 93.168 -4.397 -14.907 1.00 0.00 C ATOM 168 O ASP A 12 92.418 -4.906 -15.718 1.00 0.00 O ATOM 169 CB ASP A 12 95.319 -5.119 -16.014 1.00 0.00 C ATOM 170 CG ASP A 12 96.601 -4.584 -16.653 1.00 0.00 C ATOM 171 OD1 ASP A 12 96.545 -3.518 -17.243 1.00 0.00 O1- ATOM 172 OD2 ASP A 12 97.615 -5.253 -16.545 1.00 0.00 O ATOM 0 H ASP A 12 95.981 -4.403 -13.721 1.00 0.00 H new ATOM 0 HA ASP A 12 94.462 -3.114 -15.955 1.00 0.00 H new ATOM 0 HB2 ASP A 12 95.557 -5.910 -15.303 1.00 0.00 H new ATOM 0 HB3 ASP A 12 94.676 -5.559 -16.777 1.00 0.00 H new ATOM 177 N LEU A 13 92.792 -4.178 -13.676 1.00 0.00 N ATOM 178 CA LEU A 13 91.416 -4.552 -13.229 1.00 0.00 C ATOM 179 C LEU A 13 90.402 -3.568 -13.806 1.00 0.00 C ATOM 180 O LEU A 13 90.490 -2.374 -13.586 1.00 0.00 O ATOM 181 CB LEU A 13 91.445 -4.443 -11.704 1.00 0.00 C ATOM 182 CG LEU A 13 90.071 -4.824 -11.140 1.00 0.00 C ATOM 183 CD1 LEU A 13 89.830 -6.327 -11.330 1.00 0.00 C ATOM 184 CD2 LEU A 13 90.025 -4.478 -9.654 1.00 0.00 C ATOM 0 H LEU A 13 93.379 -3.755 -12.957 1.00 0.00 H new ATOM 0 HA LEU A 13 91.131 -5.551 -13.560 1.00 0.00 H new ATOM 0 HB2 LEU A 13 92.213 -5.100 -11.296 1.00 0.00 H new ATOM 0 HB3 LEU A 13 91.704 -3.427 -11.406 1.00 0.00 H new ATOM 0 HG LEU A 13 89.294 -4.271 -11.668 1.00 0.00 H new ATOM 0 HD11 LEU A 13 88.852 -6.592 -10.928 1.00 0.00 H new ATOM 0 HD12 LEU A 13 89.863 -6.569 -12.392 1.00 0.00 H new ATOM 0 HD13 LEU A 13 90.603 -6.889 -10.805 1.00 0.00 H new ATOM 0 HD21 LEU A 13 89.050 -4.747 -9.248 1.00 0.00 H new ATOM 0 HD22 LEU A 13 90.803 -5.031 -9.127 1.00 0.00 H new ATOM 0 HD23 LEU A 13 90.190 -3.408 -9.524 1.00 0.00 H new ATOM 196 N SER A 14 89.443 -4.062 -14.542 1.00 0.00 N ATOM 197 CA SER A 14 88.422 -3.152 -15.134 1.00 0.00 C ATOM 198 C SER A 14 87.580 -2.525 -14.023 1.00 0.00 C ATOM 199 O SER A 14 87.194 -3.176 -13.070 1.00 0.00 O ATOM 200 CB SER A 14 87.567 -4.022 -16.052 1.00 0.00 C ATOM 201 OG SER A 14 88.336 -4.407 -17.184 1.00 0.00 O ATOM 0 H SER A 14 89.323 -5.052 -14.758 1.00 0.00 H new ATOM 0 HA SER A 14 88.875 -2.332 -15.691 1.00 0.00 H new ATOM 0 HB2 SER A 14 87.220 -4.905 -15.516 1.00 0.00 H new ATOM 0 HB3 SER A 14 86.680 -3.474 -16.370 1.00 0.00 H new ATOM 0 HG SER A 14 87.791 -4.967 -17.775 1.00 0.00 H new ATOM 207 N MET A 15 87.315 -1.256 -14.142 1.00 0.00 N ATOM 208 CA MET A 15 86.514 -0.540 -13.101 1.00 0.00 C ATOM 209 C MET A 15 85.083 -1.086 -13.028 1.00 0.00 C ATOM 210 O MET A 15 84.389 -0.877 -12.050 1.00 0.00 O ATOM 211 CB MET A 15 86.510 0.927 -13.535 1.00 0.00 C ATOM 212 CG MET A 15 87.946 1.461 -13.529 1.00 0.00 C ATOM 213 SD MET A 15 88.541 1.580 -11.823 1.00 0.00 S ATOM 214 CE MET A 15 87.522 2.987 -11.318 1.00 0.00 C ATOM 0 H MET A 15 87.620 -0.674 -14.922 1.00 0.00 H new ATOM 0 HA MET A 15 86.941 -0.672 -12.107 1.00 0.00 H new ATOM 0 HB2 MET A 15 86.079 1.022 -14.531 1.00 0.00 H new ATOM 0 HB3 MET A 15 85.888 1.516 -12.861 1.00 0.00 H new ATOM 0 HG2 MET A 15 88.593 0.800 -14.106 1.00 0.00 H new ATOM 0 HG3 MET A 15 87.983 2.440 -14.007 1.00 0.00 H new ATOM 0 HE1 MET A 15 88.151 3.741 -10.845 1.00 0.00 H new ATOM 0 HE2 MET A 15 87.036 3.417 -12.194 1.00 0.00 H new ATOM 0 HE3 MET A 15 86.764 2.652 -10.610 1.00 0.00 H new ATOM 224 N GLY A 16 84.625 -1.767 -14.049 1.00 0.00 N ATOM 225 CA GLY A 16 83.233 -2.308 -14.037 1.00 0.00 C ATOM 226 C GLY A 16 83.118 -3.487 -13.069 1.00 0.00 C ATOM 227 O GLY A 16 82.026 -3.901 -12.727 1.00 0.00 O ATOM 0 H GLY A 16 85.159 -1.972 -14.894 1.00 0.00 H new ATOM 0 HA2 GLY A 16 82.535 -1.523 -13.746 1.00 0.00 H new ATOM 0 HA3 GLY A 16 82.953 -2.627 -15.041 1.00 0.00 H new ATOM 231 N SER A 17 84.221 -4.040 -12.629 1.00 0.00 N ATOM 232 CA SER A 17 84.155 -5.198 -11.693 1.00 0.00 C ATOM 233 C SER A 17 84.178 -4.731 -10.233 1.00 0.00 C ATOM 234 O SER A 17 83.859 -5.490 -9.337 1.00 0.00 O ATOM 235 CB SER A 17 85.394 -6.034 -12.005 1.00 0.00 C ATOM 236 OG SER A 17 86.552 -5.341 -11.560 1.00 0.00 O ATOM 0 H SER A 17 85.163 -3.738 -12.879 1.00 0.00 H new ATOM 0 HA SER A 17 83.232 -5.764 -11.820 1.00 0.00 H new ATOM 0 HB2 SER A 17 85.325 -7.004 -11.513 1.00 0.00 H new ATOM 0 HB3 SER A 17 85.459 -6.223 -13.076 1.00 0.00 H new ATOM 0 HG SER A 17 86.769 -4.626 -12.194 1.00 0.00 H new ATOM 242 N VAL A 18 84.558 -3.500 -9.979 1.00 0.00 N ATOM 243 CA VAL A 18 84.603 -3.014 -8.568 1.00 0.00 C ATOM 244 C VAL A 18 83.252 -2.401 -8.192 1.00 0.00 C ATOM 245 O VAL A 18 82.450 -2.073 -9.044 1.00 0.00 O ATOM 246 CB VAL A 18 85.727 -1.966 -8.525 1.00 0.00 C ATOM 247 CG1 VAL A 18 85.432 -0.834 -9.518 1.00 0.00 C ATOM 248 CG2 VAL A 18 85.838 -1.381 -7.116 1.00 0.00 C ATOM 0 H VAL A 18 84.836 -2.818 -10.684 1.00 0.00 H new ATOM 0 HA VAL A 18 84.796 -3.816 -7.856 1.00 0.00 H new ATOM 0 HB VAL A 18 86.665 -2.450 -8.796 1.00 0.00 H new ATOM 0 HG11 VAL A 18 86.235 -0.097 -9.479 1.00 0.00 H new ATOM 0 HG12 VAL A 18 85.363 -1.243 -10.526 1.00 0.00 H new ATOM 0 HG13 VAL A 18 84.488 -0.356 -9.255 1.00 0.00 H new ATOM 0 HG21 VAL A 18 86.636 -0.639 -7.092 1.00 0.00 H new ATOM 0 HG22 VAL A 18 84.895 -0.908 -6.843 1.00 0.00 H new ATOM 0 HG23 VAL A 18 86.062 -2.178 -6.408 1.00 0.00 H new ATOM 258 N ALA A 19 82.994 -2.258 -6.918 1.00 0.00 N ATOM 259 CA ALA A 19 81.686 -1.678 -6.467 1.00 0.00 C ATOM 260 C ALA A 19 81.456 -0.309 -7.121 1.00 0.00 C ATOM 261 O ALA A 19 80.383 -0.023 -7.611 1.00 0.00 O ATOM 262 CB ALA A 19 81.813 -1.538 -4.943 1.00 0.00 C ATOM 0 H ALA A 19 83.632 -2.518 -6.166 1.00 0.00 H new ATOM 0 HA ALA A 19 80.840 -2.306 -6.746 1.00 0.00 H new ATOM 0 HB1 ALA A 19 80.892 -1.119 -4.538 1.00 0.00 H new ATOM 0 HB2 ALA A 19 81.990 -2.518 -4.501 1.00 0.00 H new ATOM 0 HB3 ALA A 19 82.647 -0.877 -4.707 1.00 0.00 H new ATOM 268 N CYS A 20 82.462 0.523 -7.154 1.00 0.00 N ATOM 269 CA CYS A 20 82.309 1.864 -7.806 1.00 0.00 C ATOM 270 C CYS A 20 82.441 1.686 -9.324 1.00 0.00 C ATOM 271 O CYS A 20 83.516 1.831 -9.878 1.00 0.00 O ATOM 272 CB CYS A 20 83.470 2.709 -7.253 1.00 0.00 C ATOM 273 SG CYS A 20 82.834 4.243 -6.529 1.00 0.00 S ATOM 0 H CYS A 20 83.384 0.336 -6.759 1.00 0.00 H new ATOM 0 HA CYS A 20 81.347 2.335 -7.607 1.00 0.00 H new ATOM 0 HB2 CYS A 20 84.016 2.141 -6.500 1.00 0.00 H new ATOM 0 HB3 CYS A 20 84.175 2.940 -8.052 1.00 0.00 H new ATOM 278 N SER A 21 81.369 1.324 -9.996 1.00 0.00 N ATOM 279 CA SER A 21 81.461 1.084 -11.472 1.00 0.00 C ATOM 280 C SER A 21 80.967 2.273 -12.309 1.00 0.00 C ATOM 281 O SER A 21 81.763 3.031 -12.833 1.00 0.00 O ATOM 282 CB SER A 21 80.595 -0.148 -11.726 1.00 0.00 C ATOM 283 OG SER A 21 81.414 -1.310 -11.699 1.00 0.00 O ATOM 0 H SER A 21 80.444 1.186 -9.589 1.00 0.00 H new ATOM 0 HA SER A 21 82.500 0.944 -11.771 1.00 0.00 H new ATOM 0 HB2 SER A 21 79.815 -0.221 -10.968 1.00 0.00 H new ATOM 0 HB3 SER A 21 80.095 -0.063 -12.691 1.00 0.00 H new ATOM 0 HG SER A 21 81.709 -1.481 -10.780 1.00 0.00 H new ATOM 289 N ASN A 22 79.670 2.426 -12.477 1.00 0.00 N ATOM 290 CA ASN A 22 79.164 3.549 -13.331 1.00 0.00 C ATOM 291 C ASN A 22 77.966 4.275 -12.719 1.00 0.00 C ATOM 292 O ASN A 22 77.339 5.089 -13.373 1.00 0.00 O ATOM 293 CB ASN A 22 78.739 2.879 -14.632 1.00 0.00 C ATOM 294 CG ASN A 22 78.630 3.929 -15.739 1.00 0.00 C ATOM 295 OD1 ASN A 22 79.586 4.615 -16.039 1.00 0.00 O ATOM 296 ND2 ASN A 22 77.493 4.087 -16.361 1.00 0.00 N ATOM 0 H ASN A 22 78.951 1.830 -12.066 1.00 0.00 H new ATOM 0 HA ASN A 22 79.936 4.309 -13.455 1.00 0.00 H new ATOM 0 HB2 ASN A 22 79.463 2.114 -14.912 1.00 0.00 H new ATOM 0 HB3 ASN A 22 77.781 2.377 -14.498 1.00 0.00 H new ATOM 0 HD21 ASN A 22 77.408 4.786 -17.099 1.00 0.00 H new ATOM 0 HD22 ASN A 22 76.690 3.511 -16.109 1.00 0.00 H new ATOM 303 N GLY A 23 77.642 4.007 -11.488 1.00 0.00 N ATOM 304 CA GLY A 23 76.482 4.703 -10.856 1.00 0.00 C ATOM 305 C GLY A 23 76.860 6.164 -10.628 1.00 0.00 C ATOM 306 O GLY A 23 77.711 6.707 -11.310 1.00 0.00 O ATOM 0 H GLY A 23 78.127 3.338 -10.890 1.00 0.00 H new ATOM 0 HA2 GLY A 23 75.604 4.635 -11.498 1.00 0.00 H new ATOM 0 HA3 GLY A 23 76.224 4.226 -9.910 1.00 0.00 H new ATOM 310 N ASP A 24 76.266 6.791 -9.649 1.00 0.00 N ATOM 311 CA ASP A 24 76.620 8.210 -9.336 1.00 0.00 C ATOM 312 C ASP A 24 78.076 8.259 -8.880 1.00 0.00 C ATOM 313 O ASP A 24 78.821 9.151 -9.240 1.00 0.00 O ATOM 314 CB ASP A 24 75.690 8.613 -8.188 1.00 0.00 C ATOM 315 CG ASP A 24 74.247 8.731 -8.697 1.00 0.00 C ATOM 316 OD1 ASP A 24 74.066 8.928 -9.889 1.00 0.00 O1- ATOM 317 OD2 ASP A 24 73.345 8.626 -7.882 1.00 0.00 O ATOM 0 H ASP A 24 75.549 6.383 -9.050 1.00 0.00 H new ATOM 0 HA ASP A 24 76.508 8.876 -10.191 1.00 0.00 H new ATOM 0 HB2 ASP A 24 75.743 7.873 -7.389 1.00 0.00 H new ATOM 0 HB3 ASP A 24 76.013 9.564 -7.764 1.00 0.00 H new ATOM 322 N HIS A 25 78.486 7.293 -8.103 1.00 0.00 N ATOM 323 CA HIS A 25 79.902 7.256 -7.626 1.00 0.00 C ATOM 324 C HIS A 25 80.773 6.466 -8.612 1.00 0.00 C ATOM 325 O HIS A 25 81.959 6.305 -8.400 1.00 0.00 O ATOM 326 CB HIS A 25 79.880 6.532 -6.274 1.00 0.00 C ATOM 327 CG HIS A 25 78.837 7.132 -5.371 1.00 0.00 C ATOM 328 ND1 HIS A 25 78.906 8.438 -4.916 1.00 0.00 N ATOM 329 CD2 HIS A 25 77.691 6.606 -4.842 1.00 0.00 C ATOM 330 CE1 HIS A 25 77.822 8.653 -4.147 1.00 0.00 C ATOM 331 NE2 HIS A 25 77.047 7.567 -4.067 1.00 0.00 N ATOM 0 H HIS A 25 77.900 6.524 -7.776 1.00 0.00 H new ATOM 0 HA HIS A 25 80.314 8.262 -7.542 1.00 0.00 H new ATOM 0 HB2 HIS A 25 79.672 5.473 -6.426 1.00 0.00 H new ATOM 0 HB3 HIS A 25 80.860 6.600 -5.802 1.00 0.00 H new ATOM 0 HD2 HIS A 25 77.339 5.598 -5.001 1.00 0.00 H new ATOM 0 HE1 HIS A 25 77.605 9.589 -3.655 1.00 0.00 H new ATOM 0 HE2 HIS A 25 76.173 7.464 -3.550 1.00 0.00 H new ATOM 339 N GLY A 26 80.198 5.963 -9.688 1.00 0.00 N ATOM 340 CA GLY A 26 81.001 5.177 -10.671 1.00 0.00 C ATOM 341 C GLY A 26 82.168 6.017 -11.183 1.00 0.00 C ATOM 342 O GLY A 26 82.015 7.166 -11.551 1.00 0.00 O ATOM 0 H GLY A 26 79.210 6.067 -9.921 1.00 0.00 H new ATOM 0 HA2 GLY A 26 81.375 4.267 -10.202 1.00 0.00 H new ATOM 0 HA3 GLY A 26 80.370 4.869 -11.505 1.00 0.00 H new ATOM 346 N LEU A 27 83.325 5.430 -11.220 1.00 0.00 N ATOM 347 CA LEU A 27 84.532 6.147 -11.722 1.00 0.00 C ATOM 348 C LEU A 27 84.863 5.693 -13.156 1.00 0.00 C ATOM 349 O LEU A 27 85.829 6.134 -13.744 1.00 0.00 O ATOM 350 CB LEU A 27 85.643 5.747 -10.750 1.00 0.00 C ATOM 351 CG LEU A 27 85.289 6.248 -9.346 1.00 0.00 C ATOM 352 CD1 LEU A 27 86.206 5.590 -8.314 1.00 0.00 C ATOM 353 CD2 LEU A 27 85.469 7.767 -9.291 1.00 0.00 C ATOM 0 H LEU A 27 83.493 4.470 -10.920 1.00 0.00 H new ATOM 0 HA LEU A 27 84.395 7.227 -11.765 1.00 0.00 H new ATOM 0 HB2 LEU A 27 85.764 4.664 -10.743 1.00 0.00 H new ATOM 0 HB3 LEU A 27 86.594 6.172 -11.071 1.00 0.00 H new ATOM 0 HG LEU A 27 84.254 5.991 -9.122 1.00 0.00 H new ATOM 0 HD11 LEU A 27 85.950 5.950 -7.318 1.00 0.00 H new ATOM 0 HD12 LEU A 27 86.080 4.508 -8.353 1.00 0.00 H new ATOM 0 HD13 LEU A 27 87.243 5.842 -8.535 1.00 0.00 H new ATOM 0 HD21 LEU A 27 85.218 8.127 -8.293 1.00 0.00 H new ATOM 0 HD22 LEU A 27 86.505 8.019 -9.518 1.00 0.00 H new ATOM 0 HD23 LEU A 27 84.812 8.238 -10.023 1.00 0.00 H new ATOM 365 N MET A 28 84.070 4.808 -13.714 1.00 0.00 N ATOM 366 CA MET A 28 84.324 4.312 -15.100 1.00 0.00 C ATOM 367 C MET A 28 84.296 5.462 -16.116 1.00 0.00 C ATOM 368 O MET A 28 85.039 5.459 -17.080 1.00 0.00 O ATOM 369 CB MET A 28 83.177 3.331 -15.386 1.00 0.00 C ATOM 370 CG MET A 28 83.325 2.745 -16.794 1.00 0.00 C ATOM 371 SD MET A 28 84.746 1.628 -16.837 1.00 0.00 S ATOM 372 CE MET A 28 83.993 0.292 -15.880 1.00 0.00 C ATOM 0 H MET A 28 83.250 4.406 -13.261 1.00 0.00 H new ATOM 0 HA MET A 28 85.306 3.847 -15.184 1.00 0.00 H new ATOM 0 HB2 MET A 28 83.181 2.529 -14.648 1.00 0.00 H new ATOM 0 HB3 MET A 28 82.219 3.843 -15.295 1.00 0.00 H new ATOM 0 HG2 MET A 28 82.418 2.208 -17.073 1.00 0.00 H new ATOM 0 HG3 MET A 28 83.457 3.546 -17.521 1.00 0.00 H new ATOM 0 HE1 MET A 28 84.552 -0.630 -16.039 1.00 0.00 H new ATOM 0 HE2 MET A 28 84.011 0.549 -14.821 1.00 0.00 H new ATOM 0 HE3 MET A 28 82.961 0.151 -16.202 1.00 0.00 H new ATOM 382 N ALA A 29 83.405 6.405 -15.943 1.00 0.00 N ATOM 383 CA ALA A 29 83.286 7.512 -16.944 1.00 0.00 C ATOM 384 C ALA A 29 84.607 8.270 -17.130 1.00 0.00 C ATOM 385 O ALA A 29 85.201 8.225 -18.191 1.00 0.00 O ATOM 386 CB ALA A 29 82.206 8.444 -16.391 1.00 0.00 C ATOM 0 H ALA A 29 82.757 6.458 -15.157 1.00 0.00 H new ATOM 0 HA ALA A 29 83.032 7.118 -17.928 1.00 0.00 H new ATOM 0 HB1 ALA A 29 82.064 9.282 -17.074 1.00 0.00 H new ATOM 0 HB2 ALA A 29 81.269 7.896 -16.289 1.00 0.00 H new ATOM 0 HB3 ALA A 29 82.514 8.820 -15.415 1.00 0.00 H new ATOM 392 N GLN A 30 85.072 8.972 -16.122 1.00 0.00 N ATOM 393 CA GLN A 30 86.353 9.735 -16.267 1.00 0.00 C ATOM 394 C GLN A 30 87.551 8.787 -16.223 1.00 0.00 C ATOM 395 O GLN A 30 88.509 8.939 -16.956 1.00 0.00 O ATOM 396 CB GLN A 30 86.389 10.685 -15.075 1.00 0.00 C ATOM 397 CG GLN A 30 85.326 11.760 -15.256 1.00 0.00 C ATOM 398 CD GLN A 30 85.180 12.567 -13.963 1.00 0.00 C ATOM 399 OE1 GLN A 30 85.566 12.117 -12.902 1.00 0.00 O ATOM 400 NE2 GLN A 30 84.627 13.747 -14.004 1.00 0.00 N ATOM 0 H GLN A 30 84.622 9.049 -15.210 1.00 0.00 H new ATOM 0 HA GLN A 30 86.403 10.266 -17.218 1.00 0.00 H new ATOM 0 HB2 GLN A 30 86.212 10.134 -14.151 1.00 0.00 H new ATOM 0 HB3 GLN A 30 87.375 11.143 -14.990 1.00 0.00 H new ATOM 0 HG2 GLN A 30 85.600 12.420 -16.079 1.00 0.00 H new ATOM 0 HG3 GLN A 30 84.373 11.301 -15.519 1.00 0.00 H new ATOM 0 HE21 GLN A 30 84.302 14.127 -14.893 1.00 0.00 H new ATOM 0 HE22 GLN A 30 84.519 14.290 -13.147 1.00 0.00 H new ATOM 409 N TYR A 31 87.505 7.827 -15.340 1.00 0.00 N ATOM 410 CA TYR A 31 88.644 6.872 -15.195 1.00 0.00 C ATOM 411 C TYR A 31 88.156 5.440 -15.466 1.00 0.00 C ATOM 412 O TYR A 31 87.769 4.745 -14.548 1.00 0.00 O ATOM 413 CB TYR A 31 89.111 7.007 -13.736 1.00 0.00 C ATOM 414 CG TYR A 31 89.328 8.466 -13.383 1.00 0.00 C ATOM 415 CD1 TYR A 31 90.517 9.109 -13.744 1.00 0.00 C ATOM 416 CD2 TYR A 31 88.328 9.172 -12.702 1.00 0.00 C ATOM 417 CE1 TYR A 31 90.706 10.460 -13.422 1.00 0.00 C ATOM 418 CE2 TYR A 31 88.518 10.521 -12.380 1.00 0.00 C ATOM 419 CZ TYR A 31 89.707 11.165 -12.740 1.00 0.00 C ATOM 420 OH TYR A 31 89.893 12.495 -12.423 1.00 0.00 O ATOM 0 H TYR A 31 86.722 7.661 -14.708 1.00 0.00 H new ATOM 0 HA TYR A 31 89.451 7.084 -15.897 1.00 0.00 H new ATOM 0 HB2 TYR A 31 88.368 6.571 -13.068 1.00 0.00 H new ATOM 0 HB3 TYR A 31 90.036 6.450 -13.591 1.00 0.00 H new ATOM 0 HD1 TYR A 31 91.288 8.565 -14.270 1.00 0.00 H new ATOM 0 HD2 TYR A 31 87.410 8.675 -12.425 1.00 0.00 H new ATOM 0 HE1 TYR A 31 91.623 10.958 -13.700 1.00 0.00 H new ATOM 0 HE2 TYR A 31 87.747 11.065 -11.854 1.00 0.00 H new ATOM 0 HH TYR A 31 89.103 12.833 -11.952 1.00 0.00 H new ATOM 430 N PRO A 32 88.175 5.040 -16.719 1.00 0.00 N ATOM 431 CA PRO A 32 87.708 3.676 -17.076 1.00 0.00 C ATOM 432 C PRO A 32 88.697 2.597 -16.599 1.00 0.00 C ATOM 433 O PRO A 32 88.408 1.417 -16.676 1.00 0.00 O ATOM 434 CB PRO A 32 87.628 3.710 -18.600 1.00 0.00 C ATOM 435 CG PRO A 32 88.583 4.782 -19.017 1.00 0.00 C ATOM 436 CD PRO A 32 88.625 5.793 -17.904 1.00 0.00 C ATOM 0 HA PRO A 32 86.758 3.424 -16.605 1.00 0.00 H new ATOM 0 HB2 PRO A 32 87.904 2.747 -19.031 1.00 0.00 H new ATOM 0 HB3 PRO A 32 86.615 3.932 -18.937 1.00 0.00 H new ATOM 0 HG2 PRO A 32 89.574 4.366 -19.197 1.00 0.00 H new ATOM 0 HG3 PRO A 32 88.258 5.247 -19.948 1.00 0.00 H new ATOM 0 HD2 PRO A 32 89.630 6.192 -17.765 1.00 0.00 H new ATOM 0 HD3 PRO A 32 87.971 6.640 -18.110 1.00 0.00 H new ATOM 444 N THR A 33 89.853 2.985 -16.112 1.00 0.00 N ATOM 445 CA THR A 33 90.844 1.968 -15.641 1.00 0.00 C ATOM 446 C THR A 33 91.412 2.365 -14.274 1.00 0.00 C ATOM 447 O THR A 33 91.571 3.531 -13.967 1.00 0.00 O ATOM 448 CB THR A 33 91.944 1.968 -16.698 1.00 0.00 C ATOM 449 OG1 THR A 33 91.359 1.854 -17.988 1.00 0.00 O ATOM 450 CG2 THR A 33 92.881 0.785 -16.456 1.00 0.00 C ATOM 0 H THR A 33 90.150 3.956 -16.021 1.00 0.00 H new ATOM 0 HA THR A 33 90.394 0.983 -15.520 1.00 0.00 H new ATOM 0 HB THR A 33 92.510 2.898 -16.636 1.00 0.00 H new ATOM 0 HG1 THR A 33 92.064 1.855 -18.668 1.00 0.00 H new ATOM 0 HG21 THR A 33 93.668 0.784 -17.211 1.00 0.00 H new ATOM 0 HG22 THR A 33 93.328 0.872 -15.466 1.00 0.00 H new ATOM 0 HG23 THR A 33 92.316 -0.145 -16.519 1.00 0.00 H new ATOM 458 N LEU A 34 91.711 1.390 -13.452 1.00 0.00 N ATOM 459 CA LEU A 34 92.264 1.681 -12.092 1.00 0.00 C ATOM 460 C LEU A 34 93.700 2.204 -12.193 1.00 0.00 C ATOM 461 O LEU A 34 94.578 1.515 -12.681 1.00 0.00 O ATOM 462 CB LEU A 34 92.262 0.329 -11.371 1.00 0.00 C ATOM 463 CG LEU A 34 92.721 0.520 -9.922 1.00 0.00 C ATOM 464 CD1 LEU A 34 91.622 1.232 -9.123 1.00 0.00 C ATOM 465 CD2 LEU A 34 93.014 -0.848 -9.295 1.00 0.00 C ATOM 0 H LEU A 34 91.595 0.399 -13.665 1.00 0.00 H new ATOM 0 HA LEU A 34 91.679 2.440 -11.572 1.00 0.00 H new ATOM 0 HB2 LEU A 34 91.262 -0.105 -11.392 1.00 0.00 H new ATOM 0 HB3 LEU A 34 92.923 -0.369 -11.884 1.00 0.00 H new ATOM 0 HG LEU A 34 93.626 1.127 -9.904 1.00 0.00 H new ATOM 0 HD11 LEU A 34 91.951 1.367 -8.093 1.00 0.00 H new ATOM 0 HD12 LEU A 34 91.420 2.206 -9.570 1.00 0.00 H new ATOM 0 HD13 LEU A 34 90.713 0.630 -9.138 1.00 0.00 H new ATOM 0 HD21 LEU A 34 93.341 -0.713 -8.264 1.00 0.00 H new ATOM 0 HD22 LEU A 34 92.110 -1.457 -9.313 1.00 0.00 H new ATOM 0 HD23 LEU A 34 93.800 -1.347 -9.862 1.00 0.00 H new ATOM 477 N GLY A 35 93.951 3.401 -11.734 1.00 0.00 N ATOM 478 CA GLY A 35 95.342 3.952 -11.800 1.00 0.00 C ATOM 479 C GLY A 35 95.313 5.481 -11.930 1.00 0.00 C ATOM 480 O GLY A 35 96.175 6.067 -12.556 1.00 0.00 O ATOM 0 H GLY A 35 93.257 4.022 -11.317 1.00 0.00 H new ATOM 0 HA2 GLY A 35 95.894 3.668 -10.904 1.00 0.00 H new ATOM 0 HA3 GLY A 35 95.870 3.520 -12.650 1.00 0.00 H new ATOM 484 N GLU A 36 94.338 6.131 -11.341 1.00 0.00 N ATOM 485 CA GLU A 36 94.264 7.616 -11.424 1.00 0.00 C ATOM 486 C GLU A 36 93.439 8.168 -10.262 1.00 0.00 C ATOM 487 O GLU A 36 93.861 9.081 -9.576 1.00 0.00 O ATOM 488 CB GLU A 36 93.580 7.900 -12.755 1.00 0.00 C ATOM 489 CG GLU A 36 93.623 9.404 -13.045 1.00 0.00 C ATOM 490 CD GLU A 36 95.077 9.865 -13.211 1.00 0.00 C ATOM 491 OE1 GLU A 36 95.900 9.050 -13.595 1.00 0.00 O ATOM 492 OE2 GLU A 36 95.341 11.026 -12.948 1.00 0.00 O1- ATOM 0 H GLU A 36 93.590 5.691 -10.805 1.00 0.00 H new ATOM 0 HA GLU A 36 95.246 8.086 -11.364 1.00 0.00 H new ATOM 0 HB2 GLU A 36 94.077 7.351 -13.555 1.00 0.00 H new ATOM 0 HB3 GLU A 36 92.547 7.555 -12.725 1.00 0.00 H new ATOM 0 HG2 GLU A 36 93.057 9.624 -13.950 1.00 0.00 H new ATOM 0 HG3 GLU A 36 93.149 9.953 -12.231 1.00 0.00 H new ATOM 499 N VAL A 37 92.274 7.612 -10.020 1.00 0.00 N ATOM 500 CA VAL A 37 91.435 8.100 -8.879 1.00 0.00 C ATOM 501 C VAL A 37 92.235 7.906 -7.566 1.00 0.00 C ATOM 502 O VAL A 37 92.520 8.866 -6.879 1.00 0.00 O ATOM 503 CB VAL A 37 90.138 7.256 -8.955 1.00 0.00 C ATOM 504 CG1 VAL A 37 89.470 7.115 -7.579 1.00 0.00 C ATOM 505 CG2 VAL A 37 89.158 7.943 -9.909 1.00 0.00 C ATOM 0 H VAL A 37 91.871 6.846 -10.560 1.00 0.00 H new ATOM 0 HA VAL A 37 91.181 9.159 -8.918 1.00 0.00 H new ATOM 0 HB VAL A 37 90.401 6.260 -9.310 1.00 0.00 H new ATOM 0 HG11 VAL A 37 88.564 6.517 -7.674 1.00 0.00 H new ATOM 0 HG12 VAL A 37 90.157 6.625 -6.889 1.00 0.00 H new ATOM 0 HG13 VAL A 37 89.214 8.103 -7.196 1.00 0.00 H new ATOM 0 HG21 VAL A 37 88.240 7.358 -9.971 1.00 0.00 H new ATOM 0 HG22 VAL A 37 88.928 8.941 -9.537 1.00 0.00 H new ATOM 0 HG23 VAL A 37 89.607 8.019 -10.899 1.00 0.00 H new ATOM 515 N PRO A 38 92.614 6.676 -7.281 1.00 0.00 N ATOM 516 CA PRO A 38 93.432 6.399 -6.073 1.00 0.00 C ATOM 517 C PRO A 38 94.887 6.792 -6.339 1.00 0.00 C ATOM 518 O PRO A 38 95.625 7.162 -5.446 1.00 0.00 O ATOM 519 CB PRO A 38 93.345 4.884 -5.918 1.00 0.00 C ATOM 520 CG PRO A 38 93.069 4.365 -7.290 1.00 0.00 C ATOM 521 CD PRO A 38 92.323 5.439 -8.031 1.00 0.00 C ATOM 0 HA PRO A 38 93.091 6.945 -5.193 1.00 0.00 H new ATOM 0 HB2 PRO A 38 94.274 4.475 -5.522 1.00 0.00 H new ATOM 0 HB3 PRO A 38 92.552 4.604 -5.224 1.00 0.00 H new ATOM 0 HG2 PRO A 38 93.999 4.119 -7.802 1.00 0.00 H new ATOM 0 HG3 PRO A 38 92.479 3.449 -7.243 1.00 0.00 H new ATOM 0 HD2 PRO A 38 92.659 5.514 -9.065 1.00 0.00 H new ATOM 0 HD3 PRO A 38 91.253 5.233 -8.057 1.00 0.00 H new ATOM 529 N GLY A 39 95.300 6.678 -7.573 1.00 0.00 N ATOM 530 CA GLY A 39 96.703 6.995 -7.959 1.00 0.00 C ATOM 531 C GLY A 39 97.229 5.811 -8.771 1.00 0.00 C ATOM 532 O GLY A 39 97.487 5.922 -9.951 1.00 0.00 O ATOM 0 H GLY A 39 94.709 6.371 -8.346 1.00 0.00 H new ATOM 0 HA2 GLY A 39 96.742 7.912 -8.547 1.00 0.00 H new ATOM 0 HA3 GLY A 39 97.318 7.158 -7.074 1.00 0.00 H new ATOM 536 N PHE A 40 97.318 4.665 -8.129 1.00 0.00 N ATOM 537 CA PHE A 40 97.757 3.377 -8.785 1.00 0.00 C ATOM 538 C PHE A 40 98.127 2.325 -7.707 1.00 0.00 C ATOM 539 O PHE A 40 97.581 1.240 -7.716 1.00 0.00 O ATOM 540 CB PHE A 40 98.949 3.665 -9.749 1.00 0.00 C ATOM 541 CG PHE A 40 99.640 2.374 -10.179 1.00 0.00 C ATOM 542 CD1 PHE A 40 98.895 1.196 -10.377 1.00 0.00 C ATOM 543 CD2 PHE A 40 101.025 2.361 -10.385 1.00 0.00 C ATOM 544 CE1 PHE A 40 99.536 0.018 -10.775 1.00 0.00 C ATOM 545 CE2 PHE A 40 101.664 1.180 -10.785 1.00 0.00 C ATOM 546 CZ PHE A 40 100.919 0.010 -10.980 1.00 0.00 C ATOM 0 H PHE A 40 97.096 4.564 -7.139 1.00 0.00 H new ATOM 0 HA PHE A 40 96.938 2.964 -9.373 1.00 0.00 H new ATOM 0 HB2 PHE A 40 98.587 4.197 -10.629 1.00 0.00 H new ATOM 0 HB3 PHE A 40 99.669 4.318 -9.256 1.00 0.00 H new ATOM 0 HD1 PHE A 40 97.826 1.202 -10.221 1.00 0.00 H new ATOM 0 HD2 PHE A 40 101.601 3.262 -10.235 1.00 0.00 H new ATOM 0 HE1 PHE A 40 98.963 -0.885 -10.924 1.00 0.00 H new ATOM 0 HE2 PHE A 40 102.732 1.172 -10.943 1.00 0.00 H new ATOM 0 HZ PHE A 40 101.413 -0.899 -11.289 1.00 0.00 H new ATOM 556 N PRO A 41 99.060 2.654 -6.823 1.00 0.00 N ATOM 557 CA PRO A 41 99.497 1.705 -5.779 1.00 0.00 C ATOM 558 C PRO A 41 98.846 2.027 -4.427 1.00 0.00 C ATOM 559 O PRO A 41 99.289 1.558 -3.394 1.00 0.00 O ATOM 560 CB PRO A 41 100.997 1.986 -5.711 1.00 0.00 C ATOM 561 CG PRO A 41 101.164 3.407 -6.200 1.00 0.00 C ATOM 562 CD PRO A 41 99.811 3.896 -6.671 1.00 0.00 C ATOM 0 HA PRO A 41 99.235 0.670 -5.997 1.00 0.00 H new ATOM 0 HB2 PRO A 41 101.371 1.875 -4.693 1.00 0.00 H new ATOM 0 HB3 PRO A 41 101.556 1.288 -6.335 1.00 0.00 H new ATOM 0 HG2 PRO A 41 101.543 4.044 -5.401 1.00 0.00 H new ATOM 0 HG3 PRO A 41 101.889 3.449 -7.013 1.00 0.00 H new ATOM 0 HD2 PRO A 41 99.347 4.565 -5.946 1.00 0.00 H new ATOM 0 HD3 PRO A 41 99.882 4.444 -7.610 1.00 0.00 H new ATOM 570 N ASN A 42 97.811 2.828 -4.420 1.00 0.00 N ATOM 571 CA ASN A 42 97.141 3.189 -3.139 1.00 0.00 C ATOM 572 C ASN A 42 95.657 2.860 -3.237 1.00 0.00 C ATOM 573 O ASN A 42 94.804 3.666 -2.911 1.00 0.00 O ATOM 574 CB ASN A 42 97.347 4.696 -3.004 1.00 0.00 C ATOM 575 CG ASN A 42 98.747 4.975 -2.454 1.00 0.00 C ATOM 576 OD1 ASN A 42 99.531 5.662 -3.079 1.00 0.00 O ATOM 577 ND2 ASN A 42 99.097 4.467 -1.305 1.00 0.00 N ATOM 0 H ASN A 42 97.400 3.249 -5.253 1.00 0.00 H new ATOM 0 HA ASN A 42 97.541 2.647 -2.282 1.00 0.00 H new ATOM 0 HB2 ASN A 42 97.223 5.178 -3.974 1.00 0.00 H new ATOM 0 HB3 ASN A 42 96.593 5.118 -2.339 1.00 0.00 H new ATOM 0 HD21 ASN A 42 100.029 4.646 -0.931 1.00 0.00 H new ATOM 0 HD22 ASN A 42 98.439 3.890 -0.781 1.00 0.00 H new ATOM 584 N VAL A 43 95.350 1.685 -3.705 1.00 0.00 N ATOM 585 CA VAL A 43 93.931 1.280 -3.858 1.00 0.00 C ATOM 586 C VAL A 43 93.669 -0.041 -3.124 1.00 0.00 C ATOM 587 O VAL A 43 94.476 -0.954 -3.133 1.00 0.00 O ATOM 588 CB VAL A 43 93.735 1.144 -5.374 1.00 0.00 C ATOM 589 CG1 VAL A 43 94.613 0.012 -5.931 1.00 0.00 C ATOM 590 CG2 VAL A 43 92.264 0.858 -5.666 1.00 0.00 C ATOM 0 H VAL A 43 96.031 0.981 -3.991 1.00 0.00 H new ATOM 0 HA VAL A 43 93.233 1.998 -3.427 1.00 0.00 H new ATOM 0 HB VAL A 43 94.030 2.075 -5.858 1.00 0.00 H new ATOM 0 HG11 VAL A 43 94.461 -0.070 -7.007 1.00 0.00 H new ATOM 0 HG12 VAL A 43 95.661 0.231 -5.728 1.00 0.00 H new ATOM 0 HG13 VAL A 43 94.340 -0.929 -5.453 1.00 0.00 H new ATOM 0 HG21 VAL A 43 92.119 0.760 -6.742 1.00 0.00 H new ATOM 0 HG22 VAL A 43 91.969 -0.069 -5.175 1.00 0.00 H new ATOM 0 HG23 VAL A 43 91.652 1.678 -5.290 1.00 0.00 H new ATOM 600 N GLY A 44 92.535 -0.127 -2.484 1.00 0.00 N ATOM 601 CA GLY A 44 92.171 -1.360 -1.727 1.00 0.00 C ATOM 602 C GLY A 44 90.691 -1.294 -1.344 1.00 0.00 C ATOM 603 O GLY A 44 90.027 -0.302 -1.572 1.00 0.00 O ATOM 0 H GLY A 44 91.835 0.615 -2.453 1.00 0.00 H new ATOM 0 HA2 GLY A 44 92.363 -2.245 -2.334 1.00 0.00 H new ATOM 0 HA3 GLY A 44 92.787 -1.448 -0.832 1.00 0.00 H new ATOM 607 N GLY A 45 90.175 -2.340 -0.753 1.00 0.00 N ATOM 608 CA GLY A 45 88.743 -2.348 -0.344 1.00 0.00 C ATOM 609 C GLY A 45 88.614 -1.773 1.066 1.00 0.00 C ATOM 610 O GLY A 45 89.566 -1.760 1.826 1.00 0.00 O ATOM 0 H GLY A 45 90.689 -3.194 -0.536 1.00 0.00 H new ATOM 0 HA2 GLY A 45 88.150 -1.759 -1.044 1.00 0.00 H new ATOM 0 HA3 GLY A 45 88.351 -3.365 -0.371 1.00 0.00 H new ATOM 614 N ILE A 46 87.440 -1.323 1.430 1.00 0.00 N ATOM 615 CA ILE A 46 87.232 -0.769 2.799 1.00 0.00 C ATOM 616 C ILE A 46 85.783 -1.035 3.260 1.00 0.00 C ATOM 617 O ILE A 46 84.921 -1.309 2.449 1.00 0.00 O ATOM 618 CB ILE A 46 87.536 0.733 2.695 1.00 0.00 C ATOM 619 CG1 ILE A 46 86.674 1.377 1.598 1.00 0.00 C ATOM 620 CG2 ILE A 46 89.019 0.924 2.362 1.00 0.00 C ATOM 621 CD1 ILE A 46 85.803 2.477 2.211 1.00 0.00 C ATOM 0 H ILE A 46 86.613 -1.316 0.833 1.00 0.00 H new ATOM 0 HA ILE A 46 87.880 -1.237 3.540 1.00 0.00 H new ATOM 0 HB ILE A 46 87.305 1.211 3.647 1.00 0.00 H new ATOM 0 HG12 ILE A 46 87.311 1.795 0.819 1.00 0.00 H new ATOM 0 HG13 ILE A 46 86.046 0.622 1.125 1.00 0.00 H new ATOM 0 HG21 ILE A 46 89.241 1.989 2.287 1.00 0.00 H new ATOM 0 HG22 ILE A 46 89.629 0.481 3.149 1.00 0.00 H new ATOM 0 HG23 ILE A 46 89.244 0.439 1.412 1.00 0.00 H new ATOM 0 HD11 ILE A 46 85.192 2.933 1.432 1.00 0.00 H new ATOM 0 HD12 ILE A 46 85.155 2.045 2.974 1.00 0.00 H new ATOM 0 HD13 ILE A 46 86.441 3.236 2.663 1.00 0.00 H new ATOM 633 N PRO A 47 85.569 -0.986 4.558 1.00 0.00 N ATOM 634 CA PRO A 47 84.219 -1.280 5.134 1.00 0.00 C ATOM 635 C PRO A 47 83.154 -0.224 4.792 1.00 0.00 C ATOM 636 O PRO A 47 81.975 -0.468 4.984 1.00 0.00 O ATOM 637 CB PRO A 47 84.476 -1.274 6.642 1.00 0.00 C ATOM 638 CG PRO A 47 85.685 -0.421 6.820 1.00 0.00 C ATOM 639 CD PRO A 47 86.544 -0.652 5.613 1.00 0.00 C ATOM 0 HA PRO A 47 83.822 -2.213 4.735 1.00 0.00 H new ATOM 0 HB2 PRO A 47 83.623 -0.869 7.187 1.00 0.00 H new ATOM 0 HB3 PRO A 47 84.645 -2.283 7.018 1.00 0.00 H new ATOM 0 HG2 PRO A 47 85.410 0.630 6.906 1.00 0.00 H new ATOM 0 HG3 PRO A 47 86.218 -0.687 7.733 1.00 0.00 H new ATOM 0 HD2 PRO A 47 87.125 0.234 5.357 1.00 0.00 H new ATOM 0 HD3 PRO A 47 87.254 -1.463 5.775 1.00 0.00 H new ATOM 647 N ASP A 48 83.530 0.947 4.337 1.00 0.00 N ATOM 648 CA ASP A 48 82.497 1.998 4.050 1.00 0.00 C ATOM 649 C ASP A 48 81.994 1.970 2.596 1.00 0.00 C ATOM 650 O ASP A 48 81.435 2.942 2.121 1.00 0.00 O ATOM 651 CB ASP A 48 83.178 3.329 4.362 1.00 0.00 C ATOM 652 CG ASP A 48 83.387 3.466 5.874 1.00 0.00 C ATOM 653 OD1 ASP A 48 82.621 2.875 6.620 1.00 0.00 O ATOM 654 OD2 ASP A 48 84.312 4.161 6.262 1.00 0.00 O1- ATOM 0 H ASP A 48 84.495 1.221 4.153 1.00 0.00 H new ATOM 0 HA ASP A 48 81.607 1.829 4.656 1.00 0.00 H new ATOM 0 HB2 ASP A 48 84.137 3.386 3.847 1.00 0.00 H new ATOM 0 HB3 ASP A 48 82.569 4.154 3.994 1.00 0.00 H new ATOM 659 N ILE A 49 82.139 0.868 1.901 1.00 0.00 N ATOM 660 CA ILE A 49 81.612 0.793 0.498 1.00 0.00 C ATOM 661 C ILE A 49 80.448 -0.199 0.480 1.00 0.00 C ATOM 662 O ILE A 49 80.597 -1.344 0.864 1.00 0.00 O ATOM 663 CB ILE A 49 82.773 0.294 -0.370 1.00 0.00 C ATOM 664 CG1 ILE A 49 83.984 1.222 -0.199 1.00 0.00 C ATOM 665 CG2 ILE A 49 82.356 0.264 -1.845 1.00 0.00 C ATOM 666 CD1 ILE A 49 83.653 2.657 -0.634 1.00 0.00 C ATOM 0 H ILE A 49 82.596 0.021 2.240 1.00 0.00 H new ATOM 0 HA ILE A 49 81.251 1.752 0.127 1.00 0.00 H new ATOM 0 HB ILE A 49 83.039 -0.715 -0.055 1.00 0.00 H new ATOM 0 HG12 ILE A 49 84.302 1.220 0.844 1.00 0.00 H new ATOM 0 HG13 ILE A 49 84.820 0.845 -0.788 1.00 0.00 H new ATOM 0 HG21 ILE A 49 83.189 -0.092 -2.451 1.00 0.00 H new ATOM 0 HG22 ILE A 49 81.505 -0.405 -1.969 1.00 0.00 H new ATOM 0 HG23 ILE A 49 82.078 1.268 -2.165 1.00 0.00 H new ATOM 0 HD11 ILE A 49 84.531 3.289 -0.501 1.00 0.00 H new ATOM 0 HD12 ILE A 49 83.359 2.660 -1.684 1.00 0.00 H new ATOM 0 HD13 ILE A 49 82.833 3.041 -0.027 1.00 0.00 H new ATOM 678 N ALA A 50 79.285 0.231 0.056 1.00 0.00 N ATOM 679 CA ALA A 50 78.103 -0.685 0.035 1.00 0.00 C ATOM 680 C ALA A 50 78.178 -1.653 -1.136 1.00 0.00 C ATOM 681 O ALA A 50 77.918 -2.834 -0.980 1.00 0.00 O ATOM 682 CB ALA A 50 76.886 0.231 -0.101 1.00 0.00 C ATOM 0 H ALA A 50 79.103 1.178 -0.277 1.00 0.00 H new ATOM 0 HA ALA A 50 78.056 -1.298 0.935 1.00 0.00 H new ATOM 0 HB1 ALA A 50 75.978 -0.371 -0.123 1.00 0.00 H new ATOM 0 HB2 ALA A 50 76.848 0.914 0.748 1.00 0.00 H new ATOM 0 HB3 ALA A 50 76.964 0.805 -1.025 1.00 0.00 H new ATOM 688 N GLY A 51 78.522 -1.179 -2.301 1.00 0.00 N ATOM 689 CA GLY A 51 78.596 -2.097 -3.465 1.00 0.00 C ATOM 690 C GLY A 51 78.642 -1.302 -4.769 1.00 0.00 C ATOM 691 O GLY A 51 79.369 -0.338 -4.907 1.00 0.00 O ATOM 0 H GLY A 51 78.753 -0.204 -2.494 1.00 0.00 H new ATOM 0 HA2 GLY A 51 79.482 -2.726 -3.384 1.00 0.00 H new ATOM 0 HA3 GLY A 51 77.732 -2.762 -3.467 1.00 0.00 H new ATOM 695 N TRP A 52 77.867 -1.724 -5.729 1.00 0.00 N ATOM 696 CA TRP A 52 77.816 -1.055 -7.070 1.00 0.00 C ATOM 697 C TRP A 52 77.775 0.479 -6.976 1.00 0.00 C ATOM 698 O TRP A 52 78.206 1.162 -7.891 1.00 0.00 O ATOM 699 CB TRP A 52 76.518 -1.562 -7.702 1.00 0.00 C ATOM 700 CG TRP A 52 76.450 -1.104 -9.125 1.00 0.00 C ATOM 701 CD1 TRP A 52 77.125 -1.667 -10.151 1.00 0.00 C ATOM 702 CD2 TRP A 52 75.684 -0.002 -9.692 1.00 0.00 C ATOM 703 NE1 TRP A 52 76.823 -0.982 -11.315 1.00 0.00 N ATOM 704 CE2 TRP A 52 75.937 0.053 -11.083 1.00 0.00 C ATOM 705 CE3 TRP A 52 74.802 0.946 -9.142 1.00 0.00 C ATOM 706 CZ2 TRP A 52 75.338 1.014 -11.899 1.00 0.00 C ATOM 707 CZ3 TRP A 52 74.197 1.914 -9.959 1.00 0.00 C ATOM 708 CH2 TRP A 52 74.465 1.948 -11.336 1.00 0.00 C ATOM 0 H TRP A 52 77.247 -2.529 -5.641 1.00 0.00 H new ATOM 0 HA TRP A 52 78.711 -1.289 -7.647 1.00 0.00 H new ATOM 0 HB2 TRP A 52 76.478 -2.650 -7.656 1.00 0.00 H new ATOM 0 HB3 TRP A 52 75.659 -1.188 -7.146 1.00 0.00 H new ATOM 0 HD1 TRP A 52 77.791 -2.513 -10.075 1.00 0.00 H new ATOM 0 HE1 TRP A 52 77.207 -1.213 -12.231 1.00 0.00 H new ATOM 0 HE3 TRP A 52 74.589 0.929 -8.083 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 75.548 1.035 -12.958 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 73.522 2.637 -9.525 1.00 0.00 H new ATOM 0 HH2 TRP A 52 73.997 2.695 -11.960 1.00 0.00 H new ATOM 719 N ASP A 53 77.265 1.029 -5.897 1.00 0.00 N ATOM 720 CA ASP A 53 77.199 2.514 -5.779 1.00 0.00 C ATOM 721 C ASP A 53 77.414 2.949 -4.325 1.00 0.00 C ATOM 722 O ASP A 53 76.492 3.350 -3.641 1.00 0.00 O ATOM 723 CB ASP A 53 75.787 2.870 -6.248 1.00 0.00 C ATOM 724 CG ASP A 53 75.641 4.389 -6.334 1.00 0.00 C ATOM 725 OD1 ASP A 53 75.980 4.939 -7.367 1.00 0.00 O ATOM 726 OD2 ASP A 53 75.186 4.976 -5.366 1.00 0.00 O1- ATOM 0 H ASP A 53 76.895 0.513 -5.099 1.00 0.00 H new ATOM 0 HA ASP A 53 77.969 3.014 -6.366 1.00 0.00 H new ATOM 0 HB2 ASP A 53 75.593 2.421 -7.222 1.00 0.00 H new ATOM 0 HB3 ASP A 53 75.050 2.463 -5.556 1.00 0.00 H new ATOM 731 N SER A 54 78.626 2.850 -3.854 1.00 0.00 N ATOM 732 CA SER A 54 78.933 3.231 -2.437 1.00 0.00 C ATOM 733 C SER A 54 78.843 4.756 -2.229 1.00 0.00 C ATOM 734 O SER A 54 79.378 5.508 -3.017 1.00 0.00 O ATOM 735 CB SER A 54 80.365 2.755 -2.204 1.00 0.00 C ATOM 736 OG SER A 54 80.935 3.476 -1.116 1.00 0.00 O ATOM 0 H SER A 54 79.427 2.519 -4.391 1.00 0.00 H new ATOM 0 HA SER A 54 78.221 2.784 -1.743 1.00 0.00 H new ATOM 0 HB2 SER A 54 80.374 1.686 -1.990 1.00 0.00 H new ATOM 0 HB3 SER A 54 80.960 2.905 -3.105 1.00 0.00 H new ATOM 0 HG SER A 54 80.322 3.454 -0.352 1.00 0.00 H new ATOM 742 N PRO A 55 78.191 5.169 -1.158 1.00 0.00 N ATOM 743 CA PRO A 55 78.076 6.619 -0.866 1.00 0.00 C ATOM 744 C PRO A 55 79.414 7.174 -0.358 1.00 0.00 C ATOM 745 O PRO A 55 79.682 8.356 -0.460 1.00 0.00 O ATOM 746 CB PRO A 55 77.019 6.687 0.232 1.00 0.00 C ATOM 747 CG PRO A 55 77.065 5.351 0.900 1.00 0.00 C ATOM 748 CD PRO A 55 77.512 4.352 -0.135 1.00 0.00 C ATOM 0 HA PRO A 55 77.812 7.207 -1.745 1.00 0.00 H new ATOM 0 HB2 PRO A 55 77.235 7.489 0.938 1.00 0.00 H new ATOM 0 HB3 PRO A 55 76.031 6.886 -0.184 1.00 0.00 H new ATOM 0 HG2 PRO A 55 77.755 5.366 1.744 1.00 0.00 H new ATOM 0 HG3 PRO A 55 76.085 5.084 1.295 1.00 0.00 H new ATOM 0 HD2 PRO A 55 78.186 3.610 0.293 1.00 0.00 H new ATOM 0 HD3 PRO A 55 76.666 3.809 -0.556 1.00 0.00 H new ATOM 756 N SER A 56 80.251 6.327 0.196 1.00 0.00 N ATOM 757 CA SER A 56 81.568 6.798 0.720 1.00 0.00 C ATOM 758 C SER A 56 82.686 6.555 -0.301 1.00 0.00 C ATOM 759 O SER A 56 83.845 6.654 0.028 1.00 0.00 O ATOM 760 CB SER A 56 81.818 5.965 1.980 1.00 0.00 C ATOM 761 OG SER A 56 81.668 6.792 3.127 1.00 0.00 O ATOM 0 H SER A 56 80.075 5.328 0.307 1.00 0.00 H new ATOM 0 HA SER A 56 81.557 7.869 0.924 1.00 0.00 H new ATOM 0 HB2 SER A 56 81.117 5.132 2.024 1.00 0.00 H new ATOM 0 HB3 SER A 56 82.820 5.537 1.954 1.00 0.00 H new ATOM 0 HG SER A 56 81.826 6.261 3.936 1.00 0.00 H new ATOM 767 N CYS A 57 82.351 6.232 -1.524 1.00 0.00 N ATOM 768 CA CYS A 57 83.407 5.979 -2.557 1.00 0.00 C ATOM 769 C CYS A 57 84.079 7.294 -2.975 1.00 0.00 C ATOM 770 O CYS A 57 83.455 8.338 -2.993 1.00 0.00 O ATOM 771 CB CYS A 57 82.657 5.367 -3.739 1.00 0.00 C ATOM 772 SG CYS A 57 83.798 4.405 -4.762 1.00 0.00 S ATOM 0 H CYS A 57 81.391 6.132 -1.855 1.00 0.00 H new ATOM 0 HA CYS A 57 84.197 5.327 -2.185 1.00 0.00 H new ATOM 0 HB2 CYS A 57 81.851 4.728 -3.378 1.00 0.00 H new ATOM 0 HB3 CYS A 57 82.196 6.154 -4.335 1.00 0.00 H new ATOM 777 N GLY A 58 85.339 7.240 -3.334 1.00 0.00 N ATOM 778 CA GLY A 58 86.049 8.480 -3.779 1.00 0.00 C ATOM 779 C GLY A 58 86.501 9.294 -2.567 1.00 0.00 C ATOM 780 O GLY A 58 86.373 10.503 -2.533 1.00 0.00 O ATOM 0 H GLY A 58 85.906 6.392 -3.338 1.00 0.00 H new ATOM 0 HA2 GLY A 58 86.912 8.214 -4.390 1.00 0.00 H new ATOM 0 HA3 GLY A 58 85.389 9.081 -4.404 1.00 0.00 H new ATOM 784 N THR A 59 87.030 8.633 -1.576 1.00 0.00 N ATOM 785 CA THR A 59 87.505 9.341 -0.353 1.00 0.00 C ATOM 786 C THR A 59 88.937 8.861 -0.028 1.00 0.00 C ATOM 787 O THR A 59 89.417 7.903 -0.598 1.00 0.00 O ATOM 788 CB THR A 59 86.461 8.958 0.716 1.00 0.00 C ATOM 789 OG1 THR A 59 85.167 9.108 0.152 1.00 0.00 O ATOM 790 CG2 THR A 59 86.560 9.866 1.952 1.00 0.00 C ATOM 0 H THR A 59 87.155 7.621 -1.560 1.00 0.00 H new ATOM 0 HA THR A 59 87.577 10.425 -0.440 1.00 0.00 H new ATOM 0 HB THR A 59 86.646 7.930 1.027 1.00 0.00 H new ATOM 0 HG1 THR A 59 84.722 8.235 0.117 1.00 0.00 H new ATOM 0 HG21 THR A 59 85.810 9.567 2.684 1.00 0.00 H new ATOM 0 HG22 THR A 59 87.553 9.775 2.392 1.00 0.00 H new ATOM 0 HG23 THR A 59 86.388 10.901 1.658 1.00 0.00 H new ATOM 798 N CYS A 60 89.619 9.524 0.876 1.00 0.00 N ATOM 799 CA CYS A 60 91.034 9.129 1.229 1.00 0.00 C ATOM 800 C CYS A 60 91.173 8.595 2.670 1.00 0.00 C ATOM 801 O CYS A 60 90.488 9.045 3.569 1.00 0.00 O ATOM 802 CB CYS A 60 91.801 10.441 1.125 1.00 0.00 C ATOM 803 SG CYS A 60 93.579 10.106 1.152 1.00 0.00 S ATOM 0 H CYS A 60 89.260 10.328 1.391 1.00 0.00 H new ATOM 0 HA CYS A 60 91.387 8.329 0.578 1.00 0.00 H new ATOM 0 HB2 CYS A 60 91.532 10.960 0.205 1.00 0.00 H new ATOM 0 HB3 CYS A 60 91.532 11.098 1.952 1.00 0.00 H new ATOM 808 N TRP A 61 92.094 7.682 2.909 1.00 0.00 N ATOM 809 CA TRP A 61 92.315 7.171 4.307 1.00 0.00 C ATOM 810 C TRP A 61 93.806 6.997 4.579 1.00 0.00 C ATOM 811 O TRP A 61 94.559 6.602 3.707 1.00 0.00 O ATOM 812 CB TRP A 61 91.652 5.794 4.399 1.00 0.00 C ATOM 813 CG TRP A 61 90.233 5.936 4.820 1.00 0.00 C ATOM 814 CD1 TRP A 61 89.192 5.627 4.042 1.00 0.00 C ATOM 815 CD2 TRP A 61 89.671 6.391 6.091 1.00 0.00 C ATOM 816 NE1 TRP A 61 88.025 5.917 4.719 1.00 0.00 N ATOM 817 CE2 TRP A 61 88.262 6.363 5.983 1.00 0.00 C ATOM 818 CE3 TRP A 61 90.225 6.829 7.305 1.00 0.00 C ATOM 819 CZ2 TRP A 61 87.429 6.751 7.021 1.00 0.00 C ATOM 820 CZ3 TRP A 61 89.383 7.220 8.366 1.00 0.00 C ATOM 821 CH2 TRP A 61 87.987 7.180 8.219 1.00 0.00 C ATOM 0 H TRP A 61 92.700 7.271 2.199 1.00 0.00 H new ATOM 0 HA TRP A 61 91.900 7.875 5.028 1.00 0.00 H new ATOM 0 HB2 TRP A 61 91.704 5.292 3.433 1.00 0.00 H new ATOM 0 HB3 TRP A 61 92.190 5.170 5.112 1.00 0.00 H new ATOM 0 HD1 TRP A 61 89.254 5.217 3.045 1.00 0.00 H new ATOM 0 HE1 TRP A 61 87.093 5.810 4.319 1.00 0.00 H new ATOM 0 HE3 TRP A 61 91.298 6.866 7.426 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 86.356 6.720 6.900 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 89.815 7.553 9.298 1.00 0.00 H new ATOM 0 HH2 TRP A 61 87.348 7.482 9.036 1.00 0.00 H new ATOM 832 N LYS A 62 94.228 7.243 5.788 1.00 0.00 N ATOM 833 CA LYS A 62 95.661 7.045 6.137 1.00 0.00 C ATOM 834 C LYS A 62 95.763 5.772 6.976 1.00 0.00 C ATOM 835 O LYS A 62 95.023 5.601 7.921 1.00 0.00 O ATOM 836 CB LYS A 62 96.052 8.277 6.957 1.00 0.00 C ATOM 837 CG LYS A 62 97.558 8.259 7.222 1.00 0.00 C ATOM 838 CD LYS A 62 97.949 9.491 8.042 1.00 0.00 C ATOM 839 CE LYS A 62 99.457 9.472 8.303 1.00 0.00 C ATOM 840 NZ LYS A 62 99.694 10.571 9.280 1.00 0.00 N1+ ATOM 0 H LYS A 62 93.639 7.574 6.552 1.00 0.00 H new ATOM 0 HA LYS A 62 96.314 6.938 5.271 1.00 0.00 H new ATOM 0 HB2 LYS A 62 95.778 9.185 6.421 1.00 0.00 H new ATOM 0 HB3 LYS A 62 95.506 8.287 7.901 1.00 0.00 H new ATOM 0 HG2 LYS A 62 97.832 7.351 7.758 1.00 0.00 H new ATOM 0 HG3 LYS A 62 98.104 8.249 6.278 1.00 0.00 H new ATOM 0 HD2 LYS A 62 97.673 10.400 7.507 1.00 0.00 H new ATOM 0 HD3 LYS A 62 97.406 9.500 8.987 1.00 0.00 H new ATOM 0 HE2 LYS A 62 99.776 8.511 8.706 1.00 0.00 H new ATOM 0 HE3 LYS A 62 100.019 9.634 7.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 100.707 10.620 9.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 99.388 11.475 8.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 99.152 10.386 10.148 1.00 0.00 H new ATOM 854 N VAL A 63 96.649 4.870 6.633 1.00 0.00 N ATOM 855 CA VAL A 63 96.759 3.601 7.421 1.00 0.00 C ATOM 856 C VAL A 63 98.073 3.583 8.199 1.00 0.00 C ATOM 857 O VAL A 63 99.123 3.854 7.651 1.00 0.00 O ATOM 858 CB VAL A 63 96.726 2.468 6.390 1.00 0.00 C ATOM 859 CG1 VAL A 63 96.754 1.122 7.117 1.00 0.00 C ATOM 860 CG2 VAL A 63 95.447 2.563 5.551 1.00 0.00 C ATOM 0 H VAL A 63 97.296 4.955 5.849 1.00 0.00 H new ATOM 0 HA VAL A 63 95.953 3.500 8.147 1.00 0.00 H new ATOM 0 HB VAL A 63 97.593 2.553 5.735 1.00 0.00 H new ATOM 0 HG11 VAL A 63 96.731 0.313 6.386 1.00 0.00 H new ATOM 0 HG12 VAL A 63 97.665 1.048 7.711 1.00 0.00 H new ATOM 0 HG13 VAL A 63 95.886 1.044 7.772 1.00 0.00 H new ATOM 0 HG21 VAL A 63 95.430 1.754 4.820 1.00 0.00 H new ATOM 0 HG22 VAL A 63 94.577 2.481 6.203 1.00 0.00 H new ATOM 0 HG23 VAL A 63 95.422 3.521 5.032 1.00 0.00 H new ATOM 870 N THR A 64 98.013 3.300 9.476 1.00 0.00 N ATOM 871 CA THR A 64 99.245 3.295 10.322 1.00 0.00 C ATOM 872 C THR A 64 99.469 1.930 10.986 1.00 0.00 C ATOM 873 O THR A 64 98.536 1.303 11.463 1.00 0.00 O ATOM 874 CB THR A 64 98.956 4.344 11.397 1.00 0.00 C ATOM 875 OG1 THR A 64 98.617 5.575 10.774 1.00 0.00 O ATOM 876 CG2 THR A 64 100.196 4.539 12.271 1.00 0.00 C ATOM 0 H THR A 64 97.153 3.070 9.974 1.00 0.00 H new ATOM 0 HA THR A 64 100.140 3.502 9.735 1.00 0.00 H new ATOM 0 HB THR A 64 98.126 4.008 12.019 1.00 0.00 H new ATOM 0 HG1 THR A 64 98.430 6.249 11.461 1.00 0.00 H new ATOM 0 HG21 THR A 64 99.988 5.287 13.036 1.00 0.00 H new ATOM 0 HG22 THR A 64 100.457 3.594 12.748 1.00 0.00 H new ATOM 0 HG23 THR A 64 101.028 4.875 11.652 1.00 0.00 H new ATOM 884 N ILE A 65 100.700 1.469 11.027 1.00 0.00 N ATOM 885 CA ILE A 65 100.988 0.144 11.666 1.00 0.00 C ATOM 886 C ILE A 65 101.859 0.349 12.929 1.00 0.00 C ATOM 887 O ILE A 65 102.385 1.425 13.135 1.00 0.00 O ATOM 888 CB ILE A 65 101.715 -0.674 10.585 1.00 0.00 C ATOM 889 CG1 ILE A 65 103.016 0.029 10.181 1.00 0.00 C ATOM 890 CG2 ILE A 65 100.818 -0.810 9.351 1.00 0.00 C ATOM 891 CD1 ILE A 65 104.031 -1.018 9.716 1.00 0.00 C ATOM 0 H ILE A 65 101.514 1.952 10.647 1.00 0.00 H new ATOM 0 HA ILE A 65 100.088 -0.373 12.000 1.00 0.00 H new ATOM 0 HB ILE A 65 101.944 -1.661 10.986 1.00 0.00 H new ATOM 0 HG12 ILE A 65 102.823 0.746 9.383 1.00 0.00 H new ATOM 0 HG13 ILE A 65 103.416 0.591 11.024 1.00 0.00 H new ATOM 0 HG21 ILE A 65 101.336 -1.390 8.587 1.00 0.00 H new ATOM 0 HG22 ILE A 65 99.894 -1.317 9.627 1.00 0.00 H new ATOM 0 HG23 ILE A 65 100.585 0.180 8.959 1.00 0.00 H new ATOM 0 HD11 ILE A 65 104.958 -0.523 9.427 1.00 0.00 H new ATOM 0 HD12 ILE A 65 104.230 -1.717 10.528 1.00 0.00 H new ATOM 0 HD13 ILE A 65 103.628 -1.561 8.861 1.00 0.00 H new ATOM 903 N PRO A 66 101.962 -0.678 13.756 1.00 0.00 N ATOM 904 CA PRO A 66 102.747 -0.568 15.026 1.00 0.00 C ATOM 905 C PRO A 66 104.235 -0.286 14.786 1.00 0.00 C ATOM 906 O PRO A 66 104.899 0.283 15.632 1.00 0.00 O ATOM 907 CB PRO A 66 102.547 -1.933 15.688 1.00 0.00 C ATOM 908 CG PRO A 66 102.201 -2.849 14.566 1.00 0.00 C ATOM 909 CD PRO A 66 101.383 -2.027 13.610 1.00 0.00 C ATOM 0 HA PRO A 66 102.410 0.268 15.638 1.00 0.00 H new ATOM 0 HB2 PRO A 66 103.451 -2.260 16.202 1.00 0.00 H new ATOM 0 HB3 PRO A 66 101.751 -1.900 16.432 1.00 0.00 H new ATOM 0 HG2 PRO A 66 103.099 -3.234 14.083 1.00 0.00 H new ATOM 0 HG3 PRO A 66 101.637 -3.711 14.923 1.00 0.00 H new ATOM 0 HD2 PRO A 66 101.467 -2.394 12.587 1.00 0.00 H new ATOM 0 HD3 PRO A 66 100.324 -2.042 13.868 1.00 0.00 H new ATOM 917 N ASN A 67 104.768 -0.667 13.653 1.00 0.00 N ATOM 918 CA ASN A 67 106.217 -0.400 13.383 1.00 0.00 C ATOM 919 C ASN A 67 106.459 1.108 13.306 1.00 0.00 C ATOM 920 O ASN A 67 107.466 1.617 13.763 1.00 0.00 O ATOM 921 CB ASN A 67 106.514 -1.063 12.036 1.00 0.00 C ATOM 922 CG ASN A 67 108.014 -0.974 11.731 1.00 0.00 C ATOM 923 OD1 ASN A 67 108.802 -0.590 12.574 1.00 0.00 O ATOM 924 ND2 ASN A 67 108.446 -1.320 10.549 1.00 0.00 N ATOM 0 H ASN A 67 104.268 -1.149 12.906 1.00 0.00 H new ATOM 0 HA ASN A 67 106.862 -0.793 14.169 1.00 0.00 H new ATOM 0 HB2 ASN A 67 106.199 -2.106 12.057 1.00 0.00 H new ATOM 0 HB3 ASN A 67 105.944 -0.574 11.246 1.00 0.00 H new ATOM 0 HD21 ASN A 67 109.442 -1.268 10.335 1.00 0.00 H new ATOM 0 HD22 ASN A 67 107.788 -1.643 9.840 1.00 0.00 H new ATOM 931 N GLY A 68 105.527 1.819 12.732 1.00 0.00 N ATOM 932 CA GLY A 68 105.666 3.299 12.615 1.00 0.00 C ATOM 933 C GLY A 68 105.799 3.686 11.145 1.00 0.00 C ATOM 934 O GLY A 68 106.816 4.191 10.712 1.00 0.00 O ATOM 0 H GLY A 68 104.669 1.435 12.336 1.00 0.00 H new ATOM 0 HA2 GLY A 68 104.799 3.792 13.054 1.00 0.00 H new ATOM 0 HA3 GLY A 68 106.540 3.637 13.171 1.00 0.00 H new ATOM 938 N ASN A 69 104.766 3.460 10.382 1.00 0.00 N ATOM 939 CA ASN A 69 104.792 3.817 8.936 1.00 0.00 C ATOM 940 C ASN A 69 103.359 3.866 8.414 1.00 0.00 C ATOM 941 O ASN A 69 102.483 3.207 8.951 1.00 0.00 O ATOM 942 CB ASN A 69 105.584 2.697 8.260 1.00 0.00 C ATOM 943 CG ASN A 69 106.092 3.177 6.898 1.00 0.00 C ATOM 944 OD1 ASN A 69 106.222 4.363 6.667 1.00 0.00 O ATOM 945 ND2 ASN A 69 106.387 2.298 5.981 1.00 0.00 N ATOM 0 H ASN A 69 103.895 3.038 10.703 1.00 0.00 H new ATOM 0 HA ASN A 69 105.246 4.789 8.743 1.00 0.00 H new ATOM 0 HB2 ASN A 69 106.424 2.401 8.889 1.00 0.00 H new ATOM 0 HB3 ASN A 69 104.954 1.817 8.135 1.00 0.00 H new ATOM 0 HD21 ASN A 69 106.727 2.606 5.070 1.00 0.00 H new ATOM 0 HD22 ASN A 69 106.278 1.303 6.175 1.00 0.00 H new ATOM 952 N SER A 70 103.098 4.641 7.390 1.00 0.00 N ATOM 953 CA SER A 70 101.701 4.718 6.873 1.00 0.00 C ATOM 954 C SER A 70 101.647 5.073 5.386 1.00 0.00 C ATOM 955 O SER A 70 102.590 5.574 4.805 1.00 0.00 O ATOM 956 CB SER A 70 101.033 5.809 7.707 1.00 0.00 C ATOM 957 OG SER A 70 101.761 7.022 7.565 1.00 0.00 O ATOM 0 H SER A 70 103.782 5.215 6.897 1.00 0.00 H new ATOM 0 HA SER A 70 101.201 3.753 6.959 1.00 0.00 H new ATOM 0 HB2 SER A 70 100.002 5.950 7.383 1.00 0.00 H new ATOM 0 HB3 SER A 70 101.000 5.512 8.755 1.00 0.00 H new ATOM 0 HG SER A 70 101.676 7.553 8.384 1.00 0.00 H new ATOM 963 N ILE A 71 100.518 4.813 4.783 1.00 0.00 N ATOM 964 CA ILE A 71 100.308 5.114 3.334 1.00 0.00 C ATOM 965 C ILE A 71 98.899 5.677 3.138 1.00 0.00 C ATOM 966 O ILE A 71 98.048 5.511 3.993 1.00 0.00 O ATOM 967 CB ILE A 71 100.447 3.768 2.605 1.00 0.00 C ATOM 968 CG1 ILE A 71 99.451 2.751 3.176 1.00 0.00 C ATOM 969 CG2 ILE A 71 101.868 3.231 2.764 1.00 0.00 C ATOM 970 CD1 ILE A 71 99.425 1.509 2.284 1.00 0.00 C ATOM 0 H ILE A 71 99.711 4.394 5.245 1.00 0.00 H new ATOM 0 HA ILE A 71 101.021 5.846 2.955 1.00 0.00 H new ATOM 0 HB ILE A 71 100.235 3.923 1.547 1.00 0.00 H new ATOM 0 HG12 ILE A 71 99.736 2.477 4.192 1.00 0.00 H new ATOM 0 HG13 ILE A 71 98.456 3.192 3.233 1.00 0.00 H new ATOM 0 HG21 ILE A 71 101.957 2.277 2.244 1.00 0.00 H new ATOM 0 HG22 ILE A 71 102.576 3.943 2.339 1.00 0.00 H new ATOM 0 HG23 ILE A 71 102.087 3.089 3.822 1.00 0.00 H new ATOM 0 HD11 ILE A 71 98.718 0.785 2.689 1.00 0.00 H new ATOM 0 HD12 ILE A 71 99.119 1.791 1.276 1.00 0.00 H new ATOM 0 HD13 ILE A 71 100.420 1.064 2.250 1.00 0.00 H new ATOM 982 N PHE A 72 98.631 6.327 2.028 1.00 0.00 N ATOM 983 CA PHE A 72 97.253 6.868 1.819 1.00 0.00 C ATOM 984 C PHE A 72 96.537 6.028 0.762 1.00 0.00 C ATOM 985 O PHE A 72 97.057 5.824 -0.316 1.00 0.00 O ATOM 986 CB PHE A 72 97.445 8.299 1.313 1.00 0.00 C ATOM 987 CG PHE A 72 98.077 9.144 2.389 1.00 0.00 C ATOM 988 CD1 PHE A 72 97.369 9.428 3.563 1.00 0.00 C ATOM 989 CD2 PHE A 72 99.370 9.649 2.209 1.00 0.00 C ATOM 990 CE1 PHE A 72 97.956 10.216 4.559 1.00 0.00 C ATOM 991 CE2 PHE A 72 99.958 10.436 3.207 1.00 0.00 C ATOM 992 CZ PHE A 72 99.250 10.720 4.382 1.00 0.00 C ATOM 0 H PHE A 72 99.294 6.503 1.273 1.00 0.00 H new ATOM 0 HA PHE A 72 96.655 6.843 2.730 1.00 0.00 H new ATOM 0 HB2 PHE A 72 98.074 8.298 0.423 1.00 0.00 H new ATOM 0 HB3 PHE A 72 96.484 8.723 1.023 1.00 0.00 H new ATOM 0 HD1 PHE A 72 96.371 9.039 3.700 1.00 0.00 H new ATOM 0 HD2 PHE A 72 99.914 9.432 1.301 1.00 0.00 H new ATOM 0 HE1 PHE A 72 97.411 10.436 5.465 1.00 0.00 H new ATOM 0 HE2 PHE A 72 100.957 10.824 3.071 1.00 0.00 H new ATOM 0 HZ PHE A 72 99.703 11.328 5.151 1.00 0.00 H new ATOM 1002 N ILE A 73 95.364 5.533 1.059 1.00 0.00 N ATOM 1003 CA ILE A 73 94.635 4.693 0.058 1.00 0.00 C ATOM 1004 C ILE A 73 93.229 5.248 -0.185 1.00 0.00 C ATOM 1005 O ILE A 73 92.520 5.593 0.741 1.00 0.00 O ATOM 1006 CB ILE A 73 94.607 3.286 0.665 1.00 0.00 C ATOM 1007 CG1 ILE A 73 96.051 2.788 0.804 1.00 0.00 C ATOM 1008 CG2 ILE A 73 93.818 2.327 -0.240 1.00 0.00 C ATOM 1009 CD1 ILE A 73 96.082 1.440 1.528 1.00 0.00 C ATOM 0 H ILE A 73 94.880 5.672 1.946 1.00 0.00 H new ATOM 0 HA ILE A 73 95.119 4.687 -0.919 1.00 0.00 H new ATOM 0 HB ILE A 73 94.121 3.320 1.640 1.00 0.00 H new ATOM 0 HG12 ILE A 73 96.505 2.689 -0.182 1.00 0.00 H new ATOM 0 HG13 ILE A 73 96.643 3.518 1.356 1.00 0.00 H new ATOM 0 HG21 ILE A 73 93.808 1.332 0.205 1.00 0.00 H new ATOM 0 HG22 ILE A 73 92.795 2.687 -0.347 1.00 0.00 H new ATOM 0 HG23 ILE A 73 94.291 2.280 -1.221 1.00 0.00 H new ATOM 0 HD11 ILE A 73 97.113 1.100 1.619 1.00 0.00 H new ATOM 0 HD12 ILE A 73 95.647 1.550 2.521 1.00 0.00 H new ATOM 0 HD13 ILE A 73 95.507 0.709 0.960 1.00 0.00 H new ATOM 1021 N ARG A 74 92.824 5.334 -1.428 1.00 0.00 N ATOM 1022 CA ARG A 74 91.468 5.863 -1.742 1.00 0.00 C ATOM 1023 C ARG A 74 90.509 4.677 -1.896 1.00 0.00 C ATOM 1024 O ARG A 74 90.829 3.687 -2.526 1.00 0.00 O ATOM 1025 CB ARG A 74 91.655 6.634 -3.055 1.00 0.00 C ATOM 1026 CG ARG A 74 90.450 7.534 -3.333 1.00 0.00 C ATOM 1027 CD ARG A 74 90.675 8.285 -4.650 1.00 0.00 C ATOM 1028 NE ARG A 74 89.516 9.216 -4.776 1.00 0.00 N ATOM 1029 CZ ARG A 74 89.511 10.138 -5.702 1.00 0.00 C ATOM 1030 NH1 ARG A 74 90.597 10.815 -5.958 1.00 0.00 N ATOM 1031 NH2 ARG A 74 88.419 10.383 -6.373 1.00 0.00 N1+ ATOM 0 H ARG A 74 93.378 5.059 -2.239 1.00 0.00 H new ATOM 0 HA ARG A 74 91.048 6.510 -0.972 1.00 0.00 H new ATOM 0 HB2 ARG A 74 92.561 7.238 -3.001 1.00 0.00 H new ATOM 0 HB3 ARG A 74 91.788 5.932 -3.878 1.00 0.00 H new ATOM 0 HG2 ARG A 74 89.540 6.936 -3.392 1.00 0.00 H new ATOM 0 HG3 ARG A 74 90.313 8.242 -2.516 1.00 0.00 H new ATOM 0 HD2 ARG A 74 91.618 8.831 -4.635 1.00 0.00 H new ATOM 0 HD3 ARG A 74 90.719 7.596 -5.493 1.00 0.00 H new ATOM 0 HE ARG A 74 88.725 9.133 -4.137 1.00 0.00 H new ATOM 0 HH11 ARG A 74 91.452 10.625 -5.435 1.00 0.00 H new ATOM 0 HH12 ARG A 74 90.591 11.534 -6.681 1.00 0.00 H new ATOM 0 HH21 ARG A 74 87.569 9.855 -6.175 1.00 0.00 H new ATOM 0 HH22 ARG A 74 88.415 11.103 -7.096 1.00 0.00 H new ATOM 1045 N GLY A 75 89.352 4.761 -1.289 1.00 0.00 N ATOM 1046 CA GLY A 75 88.380 3.626 -1.357 1.00 0.00 C ATOM 1047 C GLY A 75 87.920 3.392 -2.796 1.00 0.00 C ATOM 1048 O GLY A 75 87.747 4.311 -3.574 1.00 0.00 O ATOM 0 H GLY A 75 89.038 5.567 -0.749 1.00 0.00 H new ATOM 0 HA2 GLY A 75 88.844 2.720 -0.967 1.00 0.00 H new ATOM 0 HA3 GLY A 75 87.518 3.841 -0.725 1.00 0.00 H new ATOM 1052 N VAL A 76 87.715 2.148 -3.135 1.00 0.00 N ATOM 1053 CA VAL A 76 87.262 1.758 -4.503 1.00 0.00 C ATOM 1054 C VAL A 76 86.271 0.578 -4.412 1.00 0.00 C ATOM 1055 O VAL A 76 85.269 0.555 -5.098 1.00 0.00 O ATOM 1056 CB VAL A 76 88.551 1.342 -5.242 1.00 0.00 C ATOM 1057 CG1 VAL A 76 89.130 0.053 -4.645 1.00 0.00 C ATOM 1058 CG2 VAL A 76 88.235 1.120 -6.725 1.00 0.00 C ATOM 0 H VAL A 76 87.847 1.361 -2.500 1.00 0.00 H new ATOM 0 HA VAL A 76 86.743 2.565 -5.021 1.00 0.00 H new ATOM 0 HB VAL A 76 89.289 2.137 -5.131 1.00 0.00 H new ATOM 0 HG11 VAL A 76 90.038 -0.221 -5.182 1.00 0.00 H new ATOM 0 HG12 VAL A 76 89.365 0.213 -3.593 1.00 0.00 H new ATOM 0 HG13 VAL A 76 88.399 -0.750 -4.736 1.00 0.00 H new ATOM 0 HG21 VAL A 76 89.144 0.826 -7.251 1.00 0.00 H new ATOM 0 HG22 VAL A 76 87.488 0.333 -6.824 1.00 0.00 H new ATOM 0 HG23 VAL A 76 87.849 2.043 -7.157 1.00 0.00 H new ATOM 1068 N ASP A 77 86.537 -0.392 -3.565 1.00 0.00 N ATOM 1069 CA ASP A 77 85.615 -1.561 -3.420 1.00 0.00 C ATOM 1070 C ASP A 77 85.378 -1.843 -1.936 1.00 0.00 C ATOM 1071 O ASP A 77 86.013 -1.262 -1.081 1.00 0.00 O ATOM 1072 CB ASP A 77 86.336 -2.737 -4.079 1.00 0.00 C ATOM 1073 CG ASP A 77 85.307 -3.770 -4.561 1.00 0.00 C ATOM 1074 OD1 ASP A 77 84.396 -4.069 -3.809 1.00 0.00 O ATOM 1075 OD2 ASP A 77 85.446 -4.239 -5.680 1.00 0.00 O1- ATOM 0 H ASP A 77 87.361 -0.421 -2.964 1.00 0.00 H new ATOM 0 HA ASP A 77 84.644 -1.382 -3.881 1.00 0.00 H new ATOM 0 HB2 ASP A 77 86.933 -2.385 -4.920 1.00 0.00 H new ATOM 0 HB3 ASP A 77 87.024 -3.198 -3.370 1.00 0.00 H new ATOM 1080 N SER A 78 84.465 -2.724 -1.626 1.00 0.00 N ATOM 1081 CA SER A 78 84.176 -3.048 -0.194 1.00 0.00 C ATOM 1082 C SER A 78 85.164 -4.094 0.333 1.00 0.00 C ATOM 1083 O SER A 78 85.596 -4.973 -0.388 1.00 0.00 O ATOM 1084 CB SER A 78 82.754 -3.608 -0.198 1.00 0.00 C ATOM 1085 OG SER A 78 82.372 -3.931 1.131 1.00 0.00 O ATOM 0 H SER A 78 83.903 -3.237 -2.305 1.00 0.00 H new ATOM 0 HA SER A 78 84.273 -2.175 0.452 1.00 0.00 H new ATOM 0 HB2 SER A 78 82.064 -2.877 -0.619 1.00 0.00 H new ATOM 0 HB3 SER A 78 82.702 -4.495 -0.829 1.00 0.00 H new ATOM 0 HG SER A 78 81.720 -3.274 1.453 1.00 0.00 H new ATOM 1091 N GLY A 79 85.508 -4.009 1.594 1.00 0.00 N ATOM 1092 CA GLY A 79 86.451 -4.997 2.192 1.00 0.00 C ATOM 1093 C GLY A 79 85.666 -5.914 3.128 1.00 0.00 C ATOM 1094 O GLY A 79 84.687 -5.507 3.726 1.00 0.00 O ATOM 0 H GLY A 79 85.172 -3.292 2.237 1.00 0.00 H new ATOM 0 HA2 GLY A 79 86.935 -5.580 1.409 1.00 0.00 H new ATOM 0 HA3 GLY A 79 87.240 -4.483 2.740 1.00 0.00 H new ATOM 1098 N ARG A 80 86.081 -7.146 3.257 1.00 0.00 N ATOM 1099 CA ARG A 80 85.350 -8.090 4.154 1.00 0.00 C ATOM 1100 C ARG A 80 85.906 -8.018 5.581 1.00 0.00 C ATOM 1101 O ARG A 80 86.934 -8.589 5.887 1.00 0.00 O ATOM 1102 CB ARG A 80 85.598 -9.477 3.563 1.00 0.00 C ATOM 1103 CG ARG A 80 84.875 -9.610 2.221 1.00 0.00 C ATOM 1104 CD ARG A 80 85.133 -11.005 1.643 1.00 0.00 C ATOM 1105 NE ARG A 80 84.456 -11.006 0.315 1.00 0.00 N ATOM 1106 CZ ARG A 80 83.763 -12.046 -0.062 1.00 0.00 C ATOM 1107 NH1 ARG A 80 84.361 -13.060 -0.625 1.00 0.00 N1+ ATOM 1108 NH2 ARG A 80 82.472 -12.071 0.121 1.00 0.00 N ATOM 0 H ARG A 80 86.893 -7.540 2.781 1.00 0.00 H new ATOM 0 HA ARG A 80 84.288 -7.851 4.213 1.00 0.00 H new ATOM 0 HB2 ARG A 80 86.667 -9.638 3.427 1.00 0.00 H new ATOM 0 HB3 ARG A 80 85.246 -10.244 4.253 1.00 0.00 H new ATOM 0 HG2 ARG A 80 83.805 -9.451 2.354 1.00 0.00 H new ATOM 0 HG3 ARG A 80 85.227 -8.846 1.528 1.00 0.00 H new ATOM 0 HD2 ARG A 80 86.201 -11.198 1.541 1.00 0.00 H new ATOM 0 HD3 ARG A 80 84.729 -11.782 2.292 1.00 0.00 H new ATOM 0 HE ARG A 80 84.534 -10.195 -0.299 1.00 0.00 H new ATOM 0 HH11 ARG A 80 85.370 -13.040 -0.771 1.00 0.00 H new ATOM 0 HH12 ARG A 80 83.819 -13.872 -0.919 1.00 0.00 H new ATOM 0 HH21 ARG A 80 82.004 -11.278 0.559 1.00 0.00 H new ATOM 0 HH22 ARG A 80 81.931 -12.884 -0.174 1.00 0.00 H new ATOM 1122 N GLY A 81 85.214 -7.331 6.458 1.00 0.00 N ATOM 1123 CA GLY A 81 85.669 -7.223 7.881 1.00 0.00 C ATOM 1124 C GLY A 81 87.122 -6.739 7.962 1.00 0.00 C ATOM 1125 O GLY A 81 87.950 -7.359 8.606 1.00 0.00 O ATOM 0 H GLY A 81 84.347 -6.837 6.248 1.00 0.00 H new ATOM 0 HA2 GLY A 81 85.022 -6.532 8.421 1.00 0.00 H new ATOM 0 HA3 GLY A 81 85.578 -8.193 8.370 1.00 0.00 H new ATOM 1129 N GLY A 82 87.435 -5.632 7.333 1.00 0.00 N ATOM 1130 CA GLY A 82 88.833 -5.112 7.402 1.00 0.00 C ATOM 1131 C GLY A 82 89.225 -4.424 6.094 1.00 0.00 C ATOM 1132 O GLY A 82 88.529 -4.502 5.100 1.00 0.00 O ATOM 0 H GLY A 82 86.787 -5.071 6.779 1.00 0.00 H new ATOM 0 HA2 GLY A 82 88.923 -4.408 8.229 1.00 0.00 H new ATOM 0 HA3 GLY A 82 89.521 -5.933 7.606 1.00 0.00 H new ATOM 1136 N PHE A 83 90.347 -3.754 6.097 1.00 0.00 N ATOM 1137 CA PHE A 83 90.833 -3.051 4.873 1.00 0.00 C ATOM 1138 C PHE A 83 91.773 -3.962 4.086 1.00 0.00 C ATOM 1139 O PHE A 83 92.720 -4.500 4.625 1.00 0.00 O ATOM 1140 CB PHE A 83 91.623 -1.855 5.410 1.00 0.00 C ATOM 1141 CG PHE A 83 90.680 -0.795 5.925 1.00 0.00 C ATOM 1142 CD1 PHE A 83 89.993 -0.991 7.131 1.00 0.00 C ATOM 1143 CD2 PHE A 83 90.496 0.386 5.199 1.00 0.00 C ATOM 1144 CE1 PHE A 83 89.123 -0.004 7.607 1.00 0.00 C ATOM 1145 CE2 PHE A 83 89.627 1.373 5.674 1.00 0.00 C ATOM 1146 CZ PHE A 83 88.940 1.180 6.879 1.00 0.00 C ATOM 0 H PHE A 83 90.957 -3.663 6.909 1.00 0.00 H new ATOM 0 HA PHE A 83 90.018 -2.762 4.210 1.00 0.00 H new ATOM 0 HB2 PHE A 83 92.289 -2.179 6.210 1.00 0.00 H new ATOM 0 HB3 PHE A 83 92.251 -1.441 4.621 1.00 0.00 H new ATOM 0 HD1 PHE A 83 90.135 -1.903 7.692 1.00 0.00 H new ATOM 0 HD2 PHE A 83 91.026 0.536 4.270 1.00 0.00 H new ATOM 0 HE1 PHE A 83 88.592 -0.154 8.536 1.00 0.00 H new ATOM 0 HE2 PHE A 83 89.486 2.284 5.112 1.00 0.00 H new ATOM 0 HZ PHE A 83 88.270 1.943 7.247 1.00 0.00 H new ATOM 1156 N ASN A 84 91.533 -4.124 2.808 1.00 0.00 N ATOM 1157 CA ASN A 84 92.434 -4.985 1.988 1.00 0.00 C ATOM 1158 C ASN A 84 93.037 -4.136 0.869 1.00 0.00 C ATOM 1159 O ASN A 84 92.327 -3.416 0.201 1.00 0.00 O ATOM 1160 CB ASN A 84 91.536 -6.082 1.418 1.00 0.00 C ATOM 1161 CG ASN A 84 92.398 -7.110 0.684 1.00 0.00 C ATOM 1162 OD1 ASN A 84 92.488 -7.092 -0.526 1.00 0.00 O ATOM 1163 ND2 ASN A 84 93.040 -8.014 1.374 1.00 0.00 N ATOM 0 H ASN A 84 90.756 -3.699 2.301 1.00 0.00 H new ATOM 0 HA ASN A 84 93.257 -5.413 2.561 1.00 0.00 H new ATOM 0 HB2 ASN A 84 90.978 -6.565 2.220 1.00 0.00 H new ATOM 0 HB3 ASN A 84 90.804 -5.651 0.735 1.00 0.00 H new ATOM 0 HD21 ASN A 84 93.618 -8.706 0.896 1.00 0.00 H new ATOM 0 HD22 ASN A 84 92.964 -8.029 2.391 1.00 0.00 H new ATOM 1170 N VAL A 85 94.329 -4.179 0.676 1.00 0.00 N ATOM 1171 CA VAL A 85 94.935 -3.324 -0.390 1.00 0.00 C ATOM 1172 C VAL A 85 95.856 -4.130 -1.305 1.00 0.00 C ATOM 1173 O VAL A 85 96.109 -5.302 -1.084 1.00 0.00 O ATOM 1174 CB VAL A 85 95.739 -2.256 0.366 1.00 0.00 C ATOM 1175 CG1 VAL A 85 94.799 -1.433 1.252 1.00 0.00 C ATOM 1176 CG2 VAL A 85 96.811 -2.924 1.243 1.00 0.00 C ATOM 0 H VAL A 85 94.983 -4.759 1.201 1.00 0.00 H new ATOM 0 HA VAL A 85 94.169 -2.894 -1.035 1.00 0.00 H new ATOM 0 HB VAL A 85 96.225 -1.602 -0.358 1.00 0.00 H new ATOM 0 HG11 VAL A 85 95.373 -0.676 1.787 1.00 0.00 H new ATOM 0 HG12 VAL A 85 94.047 -0.946 0.631 1.00 0.00 H new ATOM 0 HG13 VAL A 85 94.307 -2.090 1.970 1.00 0.00 H new ATOM 0 HG21 VAL A 85 97.375 -2.158 1.775 1.00 0.00 H new ATOM 0 HG22 VAL A 85 96.331 -3.586 1.963 1.00 0.00 H new ATOM 0 HG23 VAL A 85 97.488 -3.502 0.614 1.00 0.00 H new ATOM 1186 N ASN A 86 96.351 -3.504 -2.343 1.00 0.00 N ATOM 1187 CA ASN A 86 97.263 -4.215 -3.291 1.00 0.00 C ATOM 1188 C ASN A 86 98.455 -4.809 -2.526 1.00 0.00 C ATOM 1189 O ASN A 86 98.792 -4.335 -1.460 1.00 0.00 O ATOM 1190 CB ASN A 86 97.764 -3.133 -4.251 1.00 0.00 C ATOM 1191 CG ASN A 86 96.621 -2.651 -5.144 1.00 0.00 C ATOM 1192 OD1 ASN A 86 95.462 -2.869 -4.847 1.00 0.00 O ATOM 1193 ND2 ASN A 86 96.903 -1.995 -6.236 1.00 0.00 N ATOM 0 H ASN A 86 96.162 -2.529 -2.575 1.00 0.00 H new ATOM 0 HA ASN A 86 96.757 -5.030 -3.808 1.00 0.00 H new ATOM 0 HB2 ASN A 86 98.172 -2.295 -3.686 1.00 0.00 H new ATOM 0 HB3 ASN A 86 98.574 -3.528 -4.865 1.00 0.00 H new ATOM 0 HD21 ASN A 86 96.151 -1.665 -6.841 1.00 0.00 H new ATOM 0 HD22 ASN A 86 97.875 -1.812 -6.485 1.00 0.00 H new ATOM 1200 N PRO A 87 99.068 -5.821 -3.092 1.00 0.00 N ATOM 1201 CA PRO A 87 100.233 -6.448 -2.431 1.00 0.00 C ATOM 1202 C PRO A 87 101.406 -5.469 -2.417 1.00 0.00 C ATOM 1203 O PRO A 87 102.234 -5.517 -1.531 1.00 0.00 O ATOM 1204 CB PRO A 87 100.528 -7.679 -3.284 1.00 0.00 C ATOM 1205 CG PRO A 87 99.952 -7.358 -4.625 1.00 0.00 C ATOM 1206 CD PRO A 87 98.759 -6.471 -4.379 1.00 0.00 C ATOM 0 HA PRO A 87 100.052 -6.718 -1.390 1.00 0.00 H new ATOM 0 HB2 PRO A 87 101.599 -7.869 -3.348 1.00 0.00 H new ATOM 0 HB3 PRO A 87 100.071 -8.573 -2.860 1.00 0.00 H new ATOM 0 HG2 PRO A 87 100.687 -6.854 -5.252 1.00 0.00 H new ATOM 0 HG3 PRO A 87 99.657 -8.268 -5.148 1.00 0.00 H new ATOM 0 HD2 PRO A 87 98.632 -5.739 -5.177 1.00 0.00 H new ATOM 0 HD3 PRO A 87 97.835 -7.047 -4.325 1.00 0.00 H new ATOM 1214 N THR A 88 101.474 -4.564 -3.361 1.00 0.00 N ATOM 1215 CA THR A 88 102.587 -3.569 -3.361 1.00 0.00 C ATOM 1216 C THR A 88 102.380 -2.572 -2.216 1.00 0.00 C ATOM 1217 O THR A 88 103.318 -2.199 -1.538 1.00 0.00 O ATOM 1218 CB THR A 88 102.519 -2.878 -4.718 1.00 0.00 C ATOM 1219 OG1 THR A 88 102.686 -3.842 -5.749 1.00 0.00 O ATOM 1220 CG2 THR A 88 103.618 -1.818 -4.823 1.00 0.00 C ATOM 0 H THR A 88 100.809 -4.472 -4.129 1.00 0.00 H new ATOM 0 HA THR A 88 103.563 -4.030 -3.210 1.00 0.00 H new ATOM 0 HB THR A 88 101.548 -2.394 -4.824 1.00 0.00 H new ATOM 0 HG1 THR A 88 102.641 -3.399 -6.622 1.00 0.00 H new ATOM 0 HG21 THR A 88 103.561 -1.330 -5.796 1.00 0.00 H new ATOM 0 HG22 THR A 88 103.484 -1.076 -4.036 1.00 0.00 H new ATOM 0 HG23 THR A 88 104.593 -2.292 -4.712 1.00 0.00 H new ATOM 1228 N ALA A 89 101.160 -2.154 -1.981 1.00 0.00 N ATOM 1229 CA ALA A 89 100.902 -1.200 -0.861 1.00 0.00 C ATOM 1230 C ALA A 89 101.171 -1.914 0.459 1.00 0.00 C ATOM 1231 O ALA A 89 101.732 -1.352 1.381 1.00 0.00 O ATOM 1232 CB ALA A 89 99.427 -0.804 -0.986 1.00 0.00 C ATOM 0 H ALA A 89 100.336 -2.431 -2.514 1.00 0.00 H new ATOM 0 HA ALA A 89 101.540 -0.317 -0.897 1.00 0.00 H new ATOM 0 HB1 ALA A 89 99.170 -0.103 -0.192 1.00 0.00 H new ATOM 0 HB2 ALA A 89 99.257 -0.333 -1.954 1.00 0.00 H new ATOM 0 HB3 ALA A 89 98.803 -1.694 -0.901 1.00 0.00 H new ATOM 1238 N PHE A 90 100.785 -3.156 0.546 1.00 0.00 N ATOM 1239 CA PHE A 90 101.024 -3.938 1.802 1.00 0.00 C ATOM 1240 C PHE A 90 102.525 -4.018 2.108 1.00 0.00 C ATOM 1241 O PHE A 90 102.952 -3.764 3.219 1.00 0.00 O ATOM 1242 CB PHE A 90 100.475 -5.336 1.514 1.00 0.00 C ATOM 1243 CG PHE A 90 100.495 -6.147 2.787 1.00 0.00 C ATOM 1244 CD1 PHE A 90 101.624 -6.904 3.119 1.00 0.00 C ATOM 1245 CD2 PHE A 90 99.384 -6.136 3.638 1.00 0.00 C ATOM 1246 CE1 PHE A 90 101.642 -7.651 4.304 1.00 0.00 C ATOM 1247 CE2 PHE A 90 99.402 -6.883 4.822 1.00 0.00 C ATOM 1248 CZ PHE A 90 100.530 -7.640 5.155 1.00 0.00 C ATOM 0 H PHE A 90 100.312 -3.669 -0.198 1.00 0.00 H new ATOM 0 HA PHE A 90 100.544 -3.475 2.664 1.00 0.00 H new ATOM 0 HB2 PHE A 90 99.458 -5.268 1.127 1.00 0.00 H new ATOM 0 HB3 PHE A 90 101.076 -5.825 0.747 1.00 0.00 H new ATOM 0 HD1 PHE A 90 102.481 -6.912 2.462 1.00 0.00 H new ATOM 0 HD2 PHE A 90 98.513 -5.551 3.381 1.00 0.00 H new ATOM 0 HE1 PHE A 90 102.513 -8.235 4.561 1.00 0.00 H new ATOM 0 HE2 PHE A 90 98.544 -6.875 5.479 1.00 0.00 H new ATOM 0 HZ PHE A 90 100.543 -8.216 6.068 1.00 0.00 H new ATOM 1258 N THR A 91 103.319 -4.396 1.140 1.00 0.00 N ATOM 1259 CA THR A 91 104.794 -4.527 1.373 1.00 0.00 C ATOM 1260 C THR A 91 105.391 -3.190 1.808 1.00 0.00 C ATOM 1261 O THR A 91 106.301 -3.137 2.604 1.00 0.00 O ATOM 1262 CB THR A 91 105.387 -4.939 0.023 1.00 0.00 C ATOM 1263 OG1 THR A 91 104.749 -6.117 -0.435 1.00 0.00 O ATOM 1264 CG2 THR A 91 106.883 -5.210 0.183 1.00 0.00 C ATOM 0 H THR A 91 103.011 -4.621 0.194 1.00 0.00 H new ATOM 0 HA THR A 91 105.009 -5.251 2.159 1.00 0.00 H new ATOM 0 HB THR A 91 105.234 -4.135 -0.697 1.00 0.00 H new ATOM 0 HG1 THR A 91 103.926 -5.879 -0.911 1.00 0.00 H new ATOM 0 HG21 THR A 91 107.305 -5.503 -0.778 1.00 0.00 H new ATOM 0 HG22 THR A 91 107.380 -4.307 0.537 1.00 0.00 H new ATOM 0 HG23 THR A 91 107.032 -6.013 0.905 1.00 0.00 H new ATOM 1272 N LYS A 92 104.903 -2.118 1.255 1.00 0.00 N ATOM 1273 CA LYS A 92 105.460 -0.778 1.613 1.00 0.00 C ATOM 1274 C LYS A 92 105.094 -0.390 3.049 1.00 0.00 C ATOM 1275 O LYS A 92 105.893 0.190 3.762 1.00 0.00 O ATOM 1276 CB LYS A 92 104.824 0.193 0.626 1.00 0.00 C ATOM 1277 CG LYS A 92 105.395 -0.053 -0.771 1.00 0.00 C ATOM 1278 CD LYS A 92 104.757 0.923 -1.761 1.00 0.00 C ATOM 1279 CE LYS A 92 105.329 0.677 -3.160 1.00 0.00 C ATOM 1280 NZ LYS A 92 104.610 1.632 -4.053 1.00 0.00 N1+ ATOM 0 H LYS A 92 104.145 -2.107 0.572 1.00 0.00 H new ATOM 0 HA LYS A 92 106.549 -0.772 1.560 1.00 0.00 H new ATOM 0 HB2 LYS A 92 103.742 0.062 0.616 1.00 0.00 H new ATOM 0 HB3 LYS A 92 105.018 1.220 0.934 1.00 0.00 H new ATOM 0 HG2 LYS A 92 106.477 0.077 -0.761 1.00 0.00 H new ATOM 0 HG3 LYS A 92 105.200 -1.080 -1.080 1.00 0.00 H new ATOM 0 HD2 LYS A 92 103.675 0.793 -1.771 1.00 0.00 H new ATOM 0 HD3 LYS A 92 104.951 1.950 -1.452 1.00 0.00 H new ATOM 0 HE2 LYS A 92 106.405 0.852 -3.182 1.00 0.00 H new ATOM 0 HE3 LYS A 92 105.168 -0.354 -3.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 104.952 1.519 -5.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 103.589 1.437 -4.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 104.788 2.606 -3.734 1.00 0.00 H new ATOM 1294 N LEU A 93 103.889 -0.677 3.467 1.00 0.00 N ATOM 1295 CA LEU A 93 103.469 -0.293 4.852 1.00 0.00 C ATOM 1296 C LEU A 93 104.191 -1.130 5.916 1.00 0.00 C ATOM 1297 O LEU A 93 104.588 -0.615 6.945 1.00 0.00 O ATOM 1298 CB LEU A 93 101.959 -0.547 4.894 1.00 0.00 C ATOM 1299 CG LEU A 93 101.403 -0.187 6.276 1.00 0.00 C ATOM 1300 CD1 LEU A 93 101.509 1.322 6.496 1.00 0.00 C ATOM 1301 CD2 LEU A 93 99.936 -0.615 6.362 1.00 0.00 C ATOM 0 H LEU A 93 103.179 -1.158 2.915 1.00 0.00 H new ATOM 0 HA LEU A 93 103.721 0.745 5.071 1.00 0.00 H new ATOM 0 HB2 LEU A 93 101.461 0.046 4.127 1.00 0.00 H new ATOM 0 HB3 LEU A 93 101.752 -1.594 4.671 1.00 0.00 H new ATOM 0 HG LEU A 93 101.979 -0.704 7.044 1.00 0.00 H new ATOM 0 HD11 LEU A 93 101.113 1.575 7.479 1.00 0.00 H new ATOM 0 HD12 LEU A 93 102.554 1.626 6.437 1.00 0.00 H new ATOM 0 HD13 LEU A 93 100.936 1.843 5.729 1.00 0.00 H new ATOM 0 HD21 LEU A 93 99.539 -0.359 7.345 1.00 0.00 H new ATOM 0 HD22 LEU A 93 99.361 -0.099 5.593 1.00 0.00 H new ATOM 0 HD23 LEU A 93 99.862 -1.692 6.210 1.00 0.00 H new ATOM 1313 N VAL A 94 104.338 -2.412 5.700 1.00 0.00 N ATOM 1314 CA VAL A 94 105.005 -3.277 6.730 1.00 0.00 C ATOM 1315 C VAL A 94 106.466 -3.557 6.364 1.00 0.00 C ATOM 1316 O VAL A 94 107.325 -3.632 7.223 1.00 0.00 O ATOM 1317 CB VAL A 94 104.190 -4.576 6.733 1.00 0.00 C ATOM 1318 CG1 VAL A 94 104.796 -5.580 7.721 1.00 0.00 C ATOM 1319 CG2 VAL A 94 102.751 -4.267 7.152 1.00 0.00 C ATOM 0 H VAL A 94 104.028 -2.899 4.859 1.00 0.00 H new ATOM 0 HA VAL A 94 105.028 -2.796 7.708 1.00 0.00 H new ATOM 0 HB VAL A 94 104.205 -5.007 5.732 1.00 0.00 H new ATOM 0 HG11 VAL A 94 104.208 -6.498 7.714 1.00 0.00 H new ATOM 0 HG12 VAL A 94 105.822 -5.804 7.429 1.00 0.00 H new ATOM 0 HG13 VAL A 94 104.789 -5.153 8.724 1.00 0.00 H new ATOM 0 HG21 VAL A 94 102.167 -5.188 7.156 1.00 0.00 H new ATOM 0 HG22 VAL A 94 102.749 -3.832 8.151 1.00 0.00 H new ATOM 0 HG23 VAL A 94 102.311 -3.561 6.448 1.00 0.00 H new ATOM 1329 N GLY A 95 106.748 -3.712 5.103 1.00 0.00 N ATOM 1330 CA GLY A 95 108.144 -3.990 4.665 1.00 0.00 C ATOM 1331 C GLY A 95 108.203 -5.356 3.979 1.00 0.00 C ATOM 1332 O GLY A 95 109.006 -5.577 3.092 1.00 0.00 O ATOM 0 H GLY A 95 106.064 -3.658 4.348 1.00 0.00 H new ATOM 0 HA2 GLY A 95 108.483 -3.213 3.980 1.00 0.00 H new ATOM 0 HA3 GLY A 95 108.816 -3.973 5.523 1.00 0.00 H new ATOM 1336 N SER A 96 107.358 -6.273 4.381 1.00 0.00 N ATOM 1337 CA SER A 96 107.361 -7.627 3.751 1.00 0.00 C ATOM 1338 C SER A 96 105.935 -8.174 3.624 1.00 0.00 C ATOM 1339 O SER A 96 105.051 -7.804 4.373 1.00 0.00 O ATOM 1340 CB SER A 96 108.184 -8.499 4.694 1.00 0.00 C ATOM 1341 OG SER A 96 109.516 -8.005 4.749 1.00 0.00 O ATOM 0 H SER A 96 106.666 -6.141 5.119 1.00 0.00 H new ATOM 0 HA SER A 96 107.775 -7.604 2.743 1.00 0.00 H new ATOM 0 HB2 SER A 96 107.741 -8.496 5.690 1.00 0.00 H new ATOM 0 HB3 SER A 96 108.181 -9.532 4.347 1.00 0.00 H new ATOM 0 HG SER A 96 110.047 -8.562 5.356 1.00 0.00 H new ATOM 1347 N THR A 97 105.712 -9.065 2.687 1.00 0.00 N ATOM 1348 CA THR A 97 104.346 -9.654 2.515 1.00 0.00 C ATOM 1349 C THR A 97 104.183 -10.923 3.365 1.00 0.00 C ATOM 1350 O THR A 97 103.152 -11.568 3.337 1.00 0.00 O ATOM 1351 CB THR A 97 104.231 -9.995 1.026 1.00 0.00 C ATOM 1352 OG1 THR A 97 105.246 -10.926 0.677 1.00 0.00 O ATOM 1353 CG2 THR A 97 104.392 -8.729 0.192 1.00 0.00 C ATOM 0 H THR A 97 106.416 -9.409 2.035 1.00 0.00 H new ATOM 0 HA THR A 97 103.571 -8.959 2.837 1.00 0.00 H new ATOM 0 HB THR A 97 103.251 -10.430 0.830 1.00 0.00 H new ATOM 0 HG1 THR A 97 105.174 -11.147 -0.275 1.00 0.00 H new ATOM 0 HG21 THR A 97 104.309 -8.977 -0.866 1.00 0.00 H new ATOM 0 HG22 THR A 97 103.612 -8.016 0.459 1.00 0.00 H new ATOM 0 HG23 THR A 97 105.370 -8.288 0.386 1.00 0.00 H new ATOM 1361 N GLU A 98 105.194 -11.286 4.113 1.00 0.00 N ATOM 1362 CA GLU A 98 105.110 -12.515 4.964 1.00 0.00 C ATOM 1363 C GLU A 98 104.135 -12.303 6.127 1.00 0.00 C ATOM 1364 O GLU A 98 103.628 -13.249 6.700 1.00 0.00 O ATOM 1365 CB GLU A 98 106.526 -12.728 5.498 1.00 0.00 C ATOM 1366 CG GLU A 98 107.451 -13.157 4.355 1.00 0.00 C ATOM 1367 CD GLU A 98 108.883 -13.366 4.876 1.00 0.00 C ATOM 1368 OE1 GLU A 98 109.120 -13.127 6.052 1.00 0.00 O1- ATOM 1369 OE2 GLU A 98 109.721 -13.764 4.084 1.00 0.00 O ATOM 0 H GLU A 98 106.079 -10.782 4.172 1.00 0.00 H new ATOM 0 HA GLU A 98 104.747 -13.373 4.399 1.00 0.00 H new ATOM 0 HB2 GLU A 98 106.896 -11.809 5.952 1.00 0.00 H new ATOM 0 HB3 GLU A 98 106.520 -13.489 6.279 1.00 0.00 H new ATOM 0 HG2 GLU A 98 107.082 -14.079 3.906 1.00 0.00 H new ATOM 0 HG3 GLU A 98 107.449 -12.398 3.572 1.00 0.00 H new ATOM 1376 N ALA A 99 103.883 -11.068 6.492 1.00 0.00 N ATOM 1377 CA ALA A 99 102.953 -10.793 7.634 1.00 0.00 C ATOM 1378 C ALA A 99 101.572 -11.396 7.365 1.00 0.00 C ATOM 1379 O ALA A 99 100.985 -12.023 8.227 1.00 0.00 O ATOM 1380 CB ALA A 99 102.858 -9.267 7.714 1.00 0.00 C ATOM 0 H ALA A 99 104.281 -10.240 6.049 1.00 0.00 H new ATOM 0 HA ALA A 99 103.314 -11.233 8.564 1.00 0.00 H new ATOM 0 HB1 ALA A 99 102.192 -8.986 8.530 1.00 0.00 H new ATOM 0 HB2 ALA A 99 103.849 -8.850 7.894 1.00 0.00 H new ATOM 0 HB3 ALA A 99 102.466 -8.877 6.775 1.00 0.00 H new ATOM 1386 N GLY A 100 101.051 -11.215 6.177 1.00 0.00 N ATOM 1387 CA GLY A 100 99.710 -11.781 5.854 1.00 0.00 C ATOM 1388 C GLY A 100 98.620 -10.816 6.323 1.00 0.00 C ATOM 1389 O GLY A 100 98.033 -10.100 5.533 1.00 0.00 O ATOM 0 H GLY A 100 101.498 -10.700 5.419 1.00 0.00 H new ATOM 0 HA2 GLY A 100 99.624 -11.949 4.780 1.00 0.00 H new ATOM 0 HA3 GLY A 100 99.586 -12.749 6.339 1.00 0.00 H new ATOM 1393 N ARG A 101 98.345 -10.797 7.602 1.00 0.00 N ATOM 1394 CA ARG A 101 97.293 -9.885 8.132 1.00 0.00 C ATOM 1395 C ARG A 101 97.775 -9.186 9.405 1.00 0.00 C ATOM 1396 O ARG A 101 98.289 -9.818 10.309 1.00 0.00 O ATOM 1397 CB ARG A 101 96.107 -10.786 8.449 1.00 0.00 C ATOM 1398 CG ARG A 101 94.902 -9.919 8.800 1.00 0.00 C ATOM 1399 CD ARG A 101 93.711 -10.810 9.140 1.00 0.00 C ATOM 1400 NE ARG A 101 93.438 -11.594 7.904 1.00 0.00 N ATOM 1401 CZ ARG A 101 93.309 -12.892 7.970 1.00 0.00 C ATOM 1402 NH1 ARG A 101 92.530 -13.425 8.873 1.00 0.00 N1+ ATOM 1403 NH2 ARG A 101 93.957 -13.656 7.135 1.00 0.00 N ATOM 0 H ARG A 101 98.807 -11.377 8.303 1.00 0.00 H new ATOM 0 HA ARG A 101 97.039 -9.103 7.416 1.00 0.00 H new ATOM 0 HB2 ARG A 101 95.877 -11.420 7.593 1.00 0.00 H new ATOM 0 HB3 ARG A 101 96.349 -11.448 9.280 1.00 0.00 H new ATOM 0 HG2 ARG A 101 95.140 -9.274 9.646 1.00 0.00 H new ATOM 0 HG3 ARG A 101 94.654 -9.267 7.962 1.00 0.00 H new ATOM 0 HD2 ARG A 101 93.939 -11.467 9.980 1.00 0.00 H new ATOM 0 HD3 ARG A 101 92.844 -10.215 9.427 1.00 0.00 H new ATOM 0 HE ARG A 101 93.352 -11.118 7.006 1.00 0.00 H new ATOM 0 HH11 ARG A 101 92.023 -12.828 9.526 1.00 0.00 H new ATOM 0 HH12 ARG A 101 92.429 -14.439 8.925 1.00 0.00 H new ATOM 0 HH21 ARG A 101 94.565 -13.240 6.430 1.00 0.00 H new ATOM 0 HH22 ARG A 101 93.856 -14.670 7.187 1.00 0.00 H new ATOM 1417 N VAL A 102 97.605 -7.889 9.486 1.00 0.00 N ATOM 1418 CA VAL A 102 98.045 -7.153 10.710 1.00 0.00 C ATOM 1419 C VAL A 102 96.827 -6.537 11.410 1.00 0.00 C ATOM 1420 O VAL A 102 96.145 -5.692 10.862 1.00 0.00 O ATOM 1421 CB VAL A 102 98.992 -6.059 10.204 1.00 0.00 C ATOM 1422 CG1 VAL A 102 99.516 -5.244 11.389 1.00 0.00 C ATOM 1423 CG2 VAL A 102 100.173 -6.699 9.468 1.00 0.00 C ATOM 0 H VAL A 102 97.182 -7.311 8.760 1.00 0.00 H new ATOM 0 HA VAL A 102 98.537 -7.803 11.434 1.00 0.00 H new ATOM 0 HB VAL A 102 98.450 -5.404 9.522 1.00 0.00 H new ATOM 0 HG11 VAL A 102 100.189 -4.467 11.027 1.00 0.00 H new ATOM 0 HG12 VAL A 102 98.678 -4.783 11.913 1.00 0.00 H new ATOM 0 HG13 VAL A 102 100.054 -5.901 12.073 1.00 0.00 H new ATOM 0 HG21 VAL A 102 100.844 -5.919 9.110 1.00 0.00 H new ATOM 0 HG22 VAL A 102 100.713 -7.357 10.149 1.00 0.00 H new ATOM 0 HG23 VAL A 102 99.804 -7.277 8.621 1.00 0.00 H new ATOM 1433 N ASP A 103 96.543 -6.977 12.608 1.00 0.00 N ATOM 1434 CA ASP A 103 95.358 -6.447 13.348 1.00 0.00 C ATOM 1435 C ASP A 103 95.694 -5.149 14.081 1.00 0.00 C ATOM 1436 O ASP A 103 96.832 -4.729 14.149 1.00 0.00 O ATOM 1437 CB ASP A 103 94.984 -7.546 14.343 1.00 0.00 C ATOM 1438 CG ASP A 103 93.468 -7.559 14.542 1.00 0.00 C ATOM 1439 OD1 ASP A 103 92.903 -6.492 14.719 1.00 0.00 O ATOM 1440 OD2 ASP A 103 92.896 -8.637 14.512 1.00 0.00 O1- ATOM 0 H ASP A 103 97.083 -7.683 13.108 1.00 0.00 H new ATOM 0 HA ASP A 103 94.538 -6.208 12.670 1.00 0.00 H new ATOM 0 HB2 ASP A 103 95.322 -8.515 13.975 1.00 0.00 H new ATOM 0 HB3 ASP A 103 95.485 -7.375 15.296 1.00 0.00 H new ATOM 1445 N ASN A 104 94.690 -4.517 14.638 1.00 0.00 N ATOM 1446 CA ASN A 104 94.894 -3.237 15.393 1.00 0.00 C ATOM 1447 C ASN A 104 95.494 -2.146 14.501 1.00 0.00 C ATOM 1448 O ASN A 104 96.339 -1.381 14.927 1.00 0.00 O ATOM 1449 CB ASN A 104 95.852 -3.574 16.541 1.00 0.00 C ATOM 1450 CG ASN A 104 95.802 -2.464 17.593 1.00 0.00 C ATOM 1451 OD1 ASN A 104 94.823 -1.751 17.696 1.00 0.00 O ATOM 1452 ND2 ASN A 104 96.826 -2.285 18.383 1.00 0.00 N ATOM 0 H ASN A 104 93.722 -4.837 14.602 1.00 0.00 H new ATOM 0 HA ASN A 104 93.943 -2.847 15.757 1.00 0.00 H new ATOM 0 HB2 ASN A 104 95.576 -4.528 16.991 1.00 0.00 H new ATOM 0 HB3 ASN A 104 96.868 -3.683 16.161 1.00 0.00 H new ATOM 0 HD21 ASN A 104 96.804 -1.547 19.087 1.00 0.00 H new ATOM 0 HD22 ASN A 104 97.648 -2.883 18.297 1.00 0.00 H new ATOM 1459 N VAL A 105 95.048 -2.064 13.274 1.00 0.00 N ATOM 1460 CA VAL A 105 95.579 -1.008 12.359 1.00 0.00 C ATOM 1461 C VAL A 105 94.854 0.308 12.639 1.00 0.00 C ATOM 1462 O VAL A 105 93.637 0.357 12.635 1.00 0.00 O ATOM 1463 CB VAL A 105 95.276 -1.495 10.940 1.00 0.00 C ATOM 1464 CG1 VAL A 105 95.789 -0.466 9.923 1.00 0.00 C ATOM 1465 CG2 VAL A 105 95.956 -2.853 10.698 1.00 0.00 C ATOM 0 H VAL A 105 94.343 -2.679 12.867 1.00 0.00 H new ATOM 0 HA VAL A 105 96.647 -0.838 12.496 1.00 0.00 H new ATOM 0 HB VAL A 105 94.199 -1.612 10.821 1.00 0.00 H new ATOM 0 HG11 VAL A 105 95.573 -0.814 8.913 1.00 0.00 H new ATOM 0 HG12 VAL A 105 95.294 0.490 10.091 1.00 0.00 H new ATOM 0 HG13 VAL A 105 96.865 -0.343 10.042 1.00 0.00 H new ATOM 0 HG21 VAL A 105 95.737 -3.195 9.686 1.00 0.00 H new ATOM 0 HG22 VAL A 105 97.034 -2.747 10.820 1.00 0.00 H new ATOM 0 HG23 VAL A 105 95.580 -3.581 11.416 1.00 0.00 H new ATOM 1475 N ASN A 106 95.580 1.378 12.876 1.00 0.00 N ATOM 1476 CA ASN A 106 94.893 2.675 13.146 1.00 0.00 C ATOM 1477 C ASN A 106 94.722 3.430 11.830 1.00 0.00 C ATOM 1478 O ASN A 106 95.589 3.415 10.976 1.00 0.00 O ATOM 1479 CB ASN A 106 95.782 3.434 14.130 1.00 0.00 C ATOM 1480 CG ASN A 106 95.002 4.608 14.727 1.00 0.00 C ATOM 1481 OD1 ASN A 106 93.864 4.457 15.122 1.00 0.00 O ATOM 1482 ND2 ASN A 106 95.572 5.779 14.809 1.00 0.00 N ATOM 0 H ASN A 106 96.599 1.406 12.893 1.00 0.00 H new ATOM 0 HA ASN A 106 93.898 2.544 13.572 1.00 0.00 H new ATOM 0 HB2 ASN A 106 96.117 2.766 14.923 1.00 0.00 H new ATOM 0 HB3 ASN A 106 96.675 3.798 13.622 1.00 0.00 H new ATOM 0 HD21 ASN A 106 95.061 6.568 15.205 1.00 0.00 H new ATOM 0 HD22 ASN A 106 96.528 5.905 14.477 1.00 0.00 H new ATOM 1489 N TYR A 107 93.592 4.059 11.654 1.00 0.00 N ATOM 1490 CA TYR A 107 93.331 4.790 10.379 1.00 0.00 C ATOM 1491 C TYR A 107 92.599 6.115 10.613 1.00 0.00 C ATOM 1492 O TYR A 107 91.790 6.244 11.512 1.00 0.00 O ATOM 1493 CB TYR A 107 92.445 3.831 9.568 1.00 0.00 C ATOM 1494 CG TYR A 107 91.184 3.499 10.334 1.00 0.00 C ATOM 1495 CD1 TYR A 107 91.189 2.446 11.257 1.00 0.00 C ATOM 1496 CD2 TYR A 107 90.015 4.234 10.115 1.00 0.00 C ATOM 1497 CE1 TYR A 107 90.025 2.130 11.964 1.00 0.00 C ATOM 1498 CE2 TYR A 107 88.848 3.918 10.823 1.00 0.00 C ATOM 1499 CZ TYR A 107 88.853 2.867 11.748 1.00 0.00 C ATOM 1500 OH TYR A 107 87.704 2.556 12.445 1.00 0.00 O ATOM 0 H TYR A 107 92.837 4.099 12.338 1.00 0.00 H new ATOM 0 HA TYR A 107 94.260 5.053 9.873 1.00 0.00 H new ATOM 0 HB2 TYR A 107 92.187 4.286 8.611 1.00 0.00 H new ATOM 0 HB3 TYR A 107 92.995 2.916 9.348 1.00 0.00 H new ATOM 0 HD1 TYR A 107 92.092 1.878 11.423 1.00 0.00 H new ATOM 0 HD2 TYR A 107 90.012 5.044 9.401 1.00 0.00 H new ATOM 0 HE1 TYR A 107 90.029 1.318 12.676 1.00 0.00 H new ATOM 0 HE2 TYR A 107 87.944 4.485 10.655 1.00 0.00 H new ATOM 0 HH TYR A 107 86.984 3.164 12.177 1.00 0.00 H new ATOM 1510 N VAL A 108 92.879 7.096 9.792 1.00 0.00 N ATOM 1511 CA VAL A 108 92.206 8.424 9.931 1.00 0.00 C ATOM 1512 C VAL A 108 91.909 9.005 8.541 1.00 0.00 C ATOM 1513 O VAL A 108 92.685 8.845 7.618 1.00 0.00 O ATOM 1514 CB VAL A 108 93.195 9.306 10.701 1.00 0.00 C ATOM 1515 CG1 VAL A 108 93.449 8.696 12.081 1.00 0.00 C ATOM 1516 CG2 VAL A 108 94.521 9.396 9.935 1.00 0.00 C ATOM 0 H VAL A 108 93.550 7.033 9.026 1.00 0.00 H new ATOM 0 HA VAL A 108 91.253 8.355 10.455 1.00 0.00 H new ATOM 0 HB VAL A 108 92.774 10.306 10.810 1.00 0.00 H new ATOM 0 HG11 VAL A 108 94.152 9.321 12.631 1.00 0.00 H new ATOM 0 HG12 VAL A 108 92.510 8.636 12.631 1.00 0.00 H new ATOM 0 HG13 VAL A 108 93.866 7.696 11.965 1.00 0.00 H new ATOM 0 HG21 VAL A 108 95.219 10.024 10.488 1.00 0.00 H new ATOM 0 HG22 VAL A 108 94.944 8.398 9.821 1.00 0.00 H new ATOM 0 HG23 VAL A 108 94.344 9.830 8.951 1.00 0.00 H new ATOM 1526 N GLN A 109 90.786 9.660 8.384 1.00 0.00 N ATOM 1527 CA GLN A 109 90.422 10.234 7.052 1.00 0.00 C ATOM 1528 C GLN A 109 91.055 11.607 6.862 1.00 0.00 C ATOM 1529 O GLN A 109 91.111 12.413 7.773 1.00 0.00 O ATOM 1530 CB GLN A 109 88.900 10.361 7.074 1.00 0.00 C ATOM 1531 CG GLN A 109 88.400 10.852 5.714 1.00 0.00 C ATOM 1532 CD GLN A 109 86.867 10.888 5.704 1.00 0.00 C ATOM 1533 OE1 GLN A 109 86.224 10.388 6.607 1.00 0.00 O ATOM 1534 NE2 GLN A 109 86.248 11.455 4.704 1.00 0.00 N ATOM 0 H GLN A 109 90.103 9.823 9.124 1.00 0.00 H new ATOM 0 HA GLN A 109 90.776 9.605 6.235 1.00 0.00 H new ATOM 0 HB2 GLN A 109 88.449 9.397 7.311 1.00 0.00 H new ATOM 0 HB3 GLN A 109 88.595 11.056 7.856 1.00 0.00 H new ATOM 0 HG2 GLN A 109 88.797 11.846 5.508 1.00 0.00 H new ATOM 0 HG3 GLN A 109 88.762 10.194 4.924 1.00 0.00 H new ATOM 0 HE21 GLN A 109 86.784 11.875 3.945 1.00 0.00 H new ATOM 0 HE22 GLN A 109 85.228 11.478 4.682 1.00 0.00 H new ATOM 1543 N VAL A 110 91.522 11.877 5.672 1.00 0.00 N ATOM 1544 CA VAL A 110 92.147 13.198 5.388 1.00 0.00 C ATOM 1545 C VAL A 110 91.530 13.796 4.118 1.00 0.00 C ATOM 1546 O VAL A 110 90.722 13.167 3.462 1.00 0.00 O ATOM 1547 CB VAL A 110 93.647 12.926 5.193 1.00 0.00 C ATOM 1548 CG1 VAL A 110 94.260 12.449 6.512 1.00 0.00 C ATOM 1549 CG2 VAL A 110 93.851 11.851 4.118 1.00 0.00 C ATOM 0 H VAL A 110 91.496 11.234 4.881 1.00 0.00 H new ATOM 0 HA VAL A 110 91.984 13.911 6.196 1.00 0.00 H new ATOM 0 HB VAL A 110 94.135 13.847 4.876 1.00 0.00 H new ATOM 0 HG11 VAL A 110 95.324 12.257 6.370 1.00 0.00 H new ATOM 0 HG12 VAL A 110 94.128 13.218 7.273 1.00 0.00 H new ATOM 0 HG13 VAL A 110 93.765 11.532 6.833 1.00 0.00 H new ATOM 0 HG21 VAL A 110 94.917 11.665 3.987 1.00 0.00 H new ATOM 0 HG22 VAL A 110 93.357 10.930 4.427 1.00 0.00 H new ATOM 0 HG23 VAL A 110 93.424 12.193 3.175 1.00 0.00 H new ATOM 1559 N ASP A 111 91.898 15.004 3.771 1.00 0.00 N ATOM 1560 CA ASP A 111 91.322 15.643 2.544 1.00 0.00 C ATOM 1561 C ASP A 111 91.694 14.850 1.285 1.00 0.00 C ATOM 1562 O ASP A 111 92.725 14.210 1.219 1.00 0.00 O ATOM 1563 CB ASP A 111 91.929 17.048 2.493 1.00 0.00 C ATOM 1564 CG ASP A 111 91.250 17.949 3.533 1.00 0.00 C ATOM 1565 OD1 ASP A 111 90.124 17.658 3.904 1.00 0.00 O1- ATOM 1566 OD2 ASP A 111 91.867 18.923 3.933 1.00 0.00 O ATOM 0 H ASP A 111 92.571 15.576 4.282 1.00 0.00 H new ATOM 0 HA ASP A 111 90.233 15.671 2.582 1.00 0.00 H new ATOM 0 HB2 ASP A 111 93.000 16.998 2.687 1.00 0.00 H new ATOM 0 HB3 ASP A 111 91.805 17.471 1.496 1.00 0.00 H new ATOM 1571 N LEU A 112 90.850 14.899 0.288 1.00 0.00 N ATOM 1572 CA LEU A 112 91.115 14.163 -0.992 1.00 0.00 C ATOM 1573 C LEU A 112 92.416 14.647 -1.638 1.00 0.00 C ATOM 1574 O LEU A 112 93.168 13.871 -2.197 1.00 0.00 O ATOM 1575 CB LEU A 112 89.927 14.505 -1.895 1.00 0.00 C ATOM 1576 CG LEU A 112 90.084 13.803 -3.251 1.00 0.00 C ATOM 1577 CD1 LEU A 112 88.714 13.363 -3.771 1.00 0.00 C ATOM 1578 CD2 LEU A 112 90.719 14.770 -4.253 1.00 0.00 C ATOM 0 H LEU A 112 89.976 15.424 0.303 1.00 0.00 H new ATOM 0 HA LEU A 112 91.222 13.091 -0.827 1.00 0.00 H new ATOM 0 HB2 LEU A 112 88.996 14.194 -1.420 1.00 0.00 H new ATOM 0 HB3 LEU A 112 89.867 15.584 -2.039 1.00 0.00 H new ATOM 0 HG LEU A 112 90.721 12.927 -3.129 1.00 0.00 H new ATOM 0 HD11 LEU A 112 88.833 12.866 -4.734 1.00 0.00 H new ATOM 0 HD12 LEU A 112 88.259 12.673 -3.060 1.00 0.00 H new ATOM 0 HD13 LEU A 112 88.073 14.236 -3.891 1.00 0.00 H new ATOM 0 HD21 LEU A 112 90.831 14.273 -5.217 1.00 0.00 H new ATOM 0 HD22 LEU A 112 90.080 15.646 -4.368 1.00 0.00 H new ATOM 0 HD23 LEU A 112 91.698 15.081 -3.888 1.00 0.00 H new ATOM 1590 N SER A 113 92.663 15.932 -1.597 1.00 0.00 N ATOM 1591 CA SER A 113 93.894 16.492 -2.242 1.00 0.00 C ATOM 1592 C SER A 113 95.153 15.759 -1.763 1.00 0.00 C ATOM 1593 O SER A 113 96.081 15.564 -2.518 1.00 0.00 O ATOM 1594 CB SER A 113 93.935 17.958 -1.818 1.00 0.00 C ATOM 1595 OG SER A 113 92.855 18.652 -2.430 1.00 0.00 O ATOM 0 H SER A 113 92.064 16.621 -1.143 1.00 0.00 H new ATOM 0 HA SER A 113 93.866 16.377 -3.326 1.00 0.00 H new ATOM 0 HB2 SER A 113 93.866 18.037 -0.733 1.00 0.00 H new ATOM 0 HB3 SER A 113 94.884 18.407 -2.111 1.00 0.00 H new ATOM 0 HG SER A 113 92.876 19.594 -2.159 1.00 0.00 H new ATOM 1601 N ASN A 114 95.190 15.358 -0.521 1.00 0.00 N ATOM 1602 CA ASN A 114 96.392 14.634 0.003 1.00 0.00 C ATOM 1603 C ASN A 114 96.565 13.280 -0.696 1.00 0.00 C ATOM 1604 O ASN A 114 97.669 12.883 -1.009 1.00 0.00 O ATOM 1605 CB ASN A 114 96.144 14.453 1.503 1.00 0.00 C ATOM 1606 CG ASN A 114 96.245 15.809 2.207 1.00 0.00 C ATOM 1607 OD1 ASN A 114 96.866 16.725 1.703 1.00 0.00 O ATOM 1608 ND2 ASN A 114 95.661 15.980 3.362 1.00 0.00 N ATOM 0 H ASN A 114 94.441 15.499 0.157 1.00 0.00 H new ATOM 0 HA ASN A 114 97.309 15.192 -0.185 1.00 0.00 H new ATOM 0 HB2 ASN A 114 95.158 14.018 1.669 1.00 0.00 H new ATOM 0 HB3 ASN A 114 96.873 13.759 1.921 1.00 0.00 H new ATOM 0 HD21 ASN A 114 95.727 16.880 3.838 1.00 0.00 H new ATOM 0 HD22 ASN A 114 95.139 15.214 3.788 1.00 0.00 H new ATOM 1615 N CYS A 115 95.493 12.572 -0.943 1.00 0.00 N ATOM 1616 CA CYS A 115 95.613 11.245 -1.632 1.00 0.00 C ATOM 1617 C CYS A 115 96.228 11.427 -3.025 1.00 0.00 C ATOM 1618 O CYS A 115 97.149 10.729 -3.404 1.00 0.00 O ATOM 1619 CB CYS A 115 94.178 10.710 -1.751 1.00 0.00 C ATOM 1620 SG CYS A 115 93.952 9.285 -0.654 1.00 0.00 S ATOM 0 H CYS A 115 94.542 12.851 -0.700 1.00 0.00 H new ATOM 0 HA CYS A 115 96.255 10.559 -1.080 1.00 0.00 H new ATOM 0 HB2 CYS A 115 93.467 11.494 -1.493 1.00 0.00 H new ATOM 0 HB3 CYS A 115 93.973 10.421 -2.782 1.00 0.00 H new ATOM 1625 N ILE A 116 95.708 12.349 -3.790 1.00 0.00 N ATOM 1626 CA ILE A 116 96.238 12.579 -5.171 1.00 0.00 C ATOM 1627 C ILE A 116 97.638 13.205 -5.121 1.00 0.00 C ATOM 1628 O ILE A 116 98.504 12.860 -5.904 1.00 0.00 O ATOM 1629 CB ILE A 116 95.215 13.512 -5.837 1.00 0.00 C ATOM 1630 CG1 ILE A 116 93.887 12.768 -5.980 1.00 0.00 C ATOM 1631 CG2 ILE A 116 95.696 13.942 -7.226 1.00 0.00 C ATOM 1632 CD1 ILE A 116 92.793 13.747 -6.411 1.00 0.00 C ATOM 0 H ILE A 116 94.935 12.957 -3.519 1.00 0.00 H new ATOM 0 HA ILE A 116 96.354 11.652 -5.732 1.00 0.00 H new ATOM 0 HB ILE A 116 95.093 14.401 -5.217 1.00 0.00 H new ATOM 0 HG12 ILE A 116 93.984 11.969 -6.715 1.00 0.00 H new ATOM 0 HG13 ILE A 116 93.617 12.300 -5.033 1.00 0.00 H new ATOM 0 HG21 ILE A 116 94.956 14.602 -7.679 1.00 0.00 H new ATOM 0 HG22 ILE A 116 96.646 14.469 -7.135 1.00 0.00 H new ATOM 0 HG23 ILE A 116 95.829 13.061 -7.854 1.00 0.00 H new ATOM 0 HD11 ILE A 116 91.847 13.214 -6.512 1.00 0.00 H new ATOM 0 HD12 ILE A 116 92.690 14.531 -5.660 1.00 0.00 H new ATOM 0 HD13 ILE A 116 93.062 14.195 -7.368 1.00 0.00 H new ATOM 1644 N ASN A 117 97.861 14.121 -4.220 1.00 0.00 N ATOM 1645 CA ASN A 117 99.205 14.775 -4.124 1.00 0.00 C ATOM 1646 C ASN A 117 100.274 13.764 -3.686 1.00 0.00 C ATOM 1647 O ASN A 117 101.392 13.783 -4.166 1.00 0.00 O ATOM 1648 CB ASN A 117 99.042 15.869 -3.070 1.00 0.00 C ATOM 1649 CG ASN A 117 98.157 16.988 -3.626 1.00 0.00 C ATOM 1650 OD1 ASN A 117 98.059 17.163 -4.824 1.00 0.00 O ATOM 1651 ND2 ASN A 117 97.501 17.756 -2.799 1.00 0.00 N ATOM 0 H ASN A 117 97.172 14.448 -3.543 1.00 0.00 H new ATOM 0 HA ASN A 117 99.529 15.175 -5.085 1.00 0.00 H new ATOM 0 HB2 ASN A 117 98.596 15.454 -2.166 1.00 0.00 H new ATOM 0 HB3 ASN A 117 100.017 16.267 -2.791 1.00 0.00 H new ATOM 0 HD21 ASN A 117 96.906 18.503 -3.159 1.00 0.00 H new ATOM 0 HD22 ASN A 117 97.583 17.609 -1.793 1.00 0.00 H new ATOM 1658 N GLY A 118 99.940 12.900 -2.763 1.00 0.00 N ATOM 1659 CA GLY A 118 100.929 11.898 -2.265 1.00 0.00 C ATOM 1660 C GLY A 118 101.044 10.722 -3.237 1.00 0.00 C ATOM 1661 O GLY A 118 102.117 10.411 -3.720 1.00 0.00 O ATOM 0 H GLY A 118 99.018 12.845 -2.330 1.00 0.00 H new ATOM 0 HA2 GLY A 118 101.903 12.371 -2.142 1.00 0.00 H new ATOM 0 HA3 GLY A 118 100.624 11.536 -1.283 1.00 0.00 H new ATOM 1665 N ALA A 119 99.952 10.058 -3.513 1.00 0.00 N ATOM 1666 CA ALA A 119 99.997 8.883 -4.441 1.00 0.00 C ATOM 1667 C ALA A 119 100.509 9.309 -5.820 1.00 0.00 C ATOM 1668 O ALA A 119 101.321 8.633 -6.424 1.00 0.00 O ATOM 1669 CB ALA A 119 98.549 8.393 -4.540 1.00 0.00 C ATOM 0 H ALA A 119 99.029 10.277 -3.137 1.00 0.00 H new ATOM 0 HA ALA A 119 100.669 8.105 -4.079 1.00 0.00 H new ATOM 0 HB1 ALA A 119 98.501 7.531 -5.205 1.00 0.00 H new ATOM 0 HB2 ALA A 119 98.193 8.108 -3.550 1.00 0.00 H new ATOM 0 HB3 ALA A 119 97.921 9.191 -4.935 1.00 0.00 H new ATOM 1675 N ASN A 120 100.045 10.428 -6.322 1.00 0.00 N ATOM 1676 CA ASN A 120 100.500 10.916 -7.666 1.00 0.00 C ATOM 1677 C ASN A 120 100.360 9.811 -8.728 1.00 0.00 C ATOM 1678 O ASN A 120 99.235 9.501 -9.081 1.00 0.00 O ATOM 1679 CB ASN A 120 101.968 11.312 -7.471 1.00 0.00 C ATOM 1680 CG ASN A 120 102.469 12.050 -8.717 1.00 0.00 C ATOM 1681 OD1 ASN A 120 101.690 12.612 -9.460 1.00 0.00 O ATOM 1682 ND2 ASN A 120 103.748 12.069 -8.977 1.00 0.00 N ATOM 1683 OXT ASN A 120 101.377 9.293 -9.167 1.00 0.00 O ATOM 0 H ASN A 120 99.366 11.030 -5.856 1.00 0.00 H new ATOM 0 HA ASN A 120 99.899 11.753 -8.021 1.00 0.00 H new ATOM 0 HB2 ASN A 120 102.070 11.949 -6.593 1.00 0.00 H new ATOM 0 HB3 ASN A 120 102.575 10.424 -7.293 1.00 0.00 H new ATOM 0 HD21 ASN A 120 104.093 12.556 -9.804 1.00 0.00 H new ATOM 0 HD22 ASN A 120 104.402 11.597 -8.353 1.00 0.00 H new