USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=25 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 Set 1.1: A 91 THR OG1 : rot 83:sc= 1.98 USER MOD Set 1.2: A 97 THR OG1 : rot -75:sc= 1.13 USER MOD Set 2.1: A 62 LYS NZ :NH3+ -134:sc= 0.234 (180deg=-0.0217) USER MOD Set 2.2: A 70 SER OG : rot -160:sc= 0 USER MOD Single : A 1 VAL N :NH3+ -105:sc= -1.58 (180deg=-2.09!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 115:sc= 0.347 USER MOD Single : A 9 TYR OH : rot 165:sc= -2.49 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl -144:sc= -0.765 (180deg=-1.77) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 94:sc= -0.354 USER MOD Single : A 22 ASN : amide:sc= -0.292 K(o=-0.29,f=-2!) USER MOD Single : A 25 HIS : no HD1:sc= -3.09 X(o=-3.1,f=-2.8!) USER MOD Single : A 28 MET CE :methyl -154:sc= -4.6 (180deg=-5.61!) USER MOD Single : A 30 GLN : amide:sc=-0.00712 K(o=-0.0071,f=-1.6!) 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= -0.96 K(o=-0.96,f=-2.8!) USER MOD Single : A 54 SER OG : rot -97:sc= -1.6 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -103:sc= 1.53 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.0321 K(o=-0.032,f=-1.7!) USER MOD Single : A 69 ASN : amide:sc= -0.256 K(o=-0.26,f=-1.9!) USER MOD Single : A 78 SER OG : rot 180:sc= 0.0238 USER MOD Single : A 84 ASN : amide:sc= -1.78 K(o=-1.8,f=-12!) USER MOD Single : A 86 ASN : amide:sc= -4.84 K(o=-4.8,f=-7.9!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 106 ASN : amide:sc= -3.81! C(o=-3.8!,f=-13!) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= -1.04 K(o=-1,f=-1.6) USER MOD Single : A 117 ASN : amide:sc=-0.00874 K(o=-0.0087,f=-1) USER MOD Single : A 120 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 91.752 -2.469 14.090 1.00 0.00 N ATOM 2 CA VAL A 1 91.255 -3.209 12.885 1.00 0.00 C ATOM 3 C VAL A 1 92.394 -4.013 12.243 1.00 0.00 C ATOM 4 O VAL A 1 93.555 -3.820 12.561 1.00 0.00 O ATOM 5 CB VAL A 1 90.747 -2.139 11.910 1.00 0.00 C ATOM 6 CG1 VAL A 1 89.551 -1.407 12.521 1.00 0.00 C ATOM 7 CG2 VAL A 1 91.866 -1.135 11.617 1.00 0.00 C ATOM 0 H1 VAL A 1 91.418 -2.945 14.952 1.00 0.00 H new ATOM 0 H2 VAL A 1 92.792 -2.454 14.084 1.00 0.00 H new ATOM 0 H3 VAL A 1 91.391 -1.494 14.072 1.00 0.00 H new ATOM 0 HA VAL A 1 90.469 -3.916 13.150 1.00 0.00 H new ATOM 0 HB VAL A 1 90.439 -2.620 10.981 1.00 0.00 H new ATOM 0 HG11 VAL A 1 89.194 -0.648 11.824 1.00 0.00 H new ATOM 0 HG12 VAL A 1 88.752 -2.120 12.721 1.00 0.00 H new ATOM 0 HG13 VAL A 1 89.854 -0.930 13.453 1.00 0.00 H new ATOM 0 HG21 VAL A 1 91.502 -0.376 10.924 1.00 0.00 H new ATOM 0 HG22 VAL A 1 92.179 -0.658 12.546 1.00 0.00 H new ATOM 0 HG23 VAL A 1 92.714 -1.655 11.172 1.00 0.00 H new ATOM 17 N SER A 2 92.068 -4.921 11.355 1.00 0.00 N ATOM 18 CA SER A 2 93.124 -5.748 10.693 1.00 0.00 C ATOM 19 C SER A 2 93.213 -5.422 9.199 1.00 0.00 C ATOM 20 O SER A 2 92.221 -5.169 8.544 1.00 0.00 O ATOM 21 CB SER A 2 92.688 -7.194 10.909 1.00 0.00 C ATOM 22 OG SER A 2 92.605 -7.454 12.305 1.00 0.00 O ATOM 0 H SER A 2 91.113 -5.125 11.060 1.00 0.00 H new ATOM 0 HA SER A 2 94.113 -5.555 11.108 1.00 0.00 H new ATOM 0 HB2 SER A 2 91.722 -7.370 10.436 1.00 0.00 H new ATOM 0 HB3 SER A 2 93.400 -7.875 10.442 1.00 0.00 H new ATOM 0 HG SER A 2 92.323 -8.382 12.449 1.00 0.00 H new ATOM 28 N ILE A 3 94.408 -5.426 8.667 1.00 0.00 N ATOM 29 CA ILE A 3 94.604 -5.117 7.218 1.00 0.00 C ATOM 30 C ILE A 3 95.125 -6.343 6.465 1.00 0.00 C ATOM 31 O ILE A 3 95.829 -7.162 7.015 1.00 0.00 O ATOM 32 CB ILE A 3 95.657 -4.000 7.183 1.00 0.00 C ATOM 33 CG1 ILE A 3 96.963 -4.471 7.838 1.00 0.00 C ATOM 34 CG2 ILE A 3 95.132 -2.777 7.935 1.00 0.00 C ATOM 35 CD1 ILE A 3 98.103 -3.537 7.428 1.00 0.00 C ATOM 0 H ILE A 3 95.265 -5.632 9.180 1.00 0.00 H new ATOM 0 HA ILE A 3 93.668 -4.824 6.743 1.00 0.00 H new ATOM 0 HB ILE A 3 95.854 -3.741 6.143 1.00 0.00 H new ATOM 0 HG12 ILE A 3 96.857 -4.478 8.923 1.00 0.00 H new ATOM 0 HG13 ILE A 3 97.188 -5.493 7.533 1.00 0.00 H new ATOM 0 HG21 ILE A 3 95.881 -1.985 7.909 1.00 0.00 H new ATOM 0 HG22 ILE A 3 94.215 -2.425 7.462 1.00 0.00 H new ATOM 0 HG23 ILE A 3 94.926 -3.048 8.971 1.00 0.00 H new ATOM 0 HD11 ILE A 3 99.031 -3.870 7.892 1.00 0.00 H new ATOM 0 HD12 ILE A 3 98.214 -3.552 6.344 1.00 0.00 H new ATOM 0 HD13 ILE A 3 97.877 -2.522 7.755 1.00 0.00 H new ATOM 47 N SER A 4 94.793 -6.460 5.206 1.00 0.00 N ATOM 48 CA SER A 4 95.272 -7.612 4.389 1.00 0.00 C ATOM 49 C SER A 4 95.472 -7.139 2.950 1.00 0.00 C ATOM 50 O SER A 4 95.341 -5.963 2.663 1.00 0.00 O ATOM 51 CB SER A 4 94.154 -8.653 4.456 1.00 0.00 C ATOM 52 OG SER A 4 92.898 -8.000 4.323 1.00 0.00 O ATOM 0 H SER A 4 94.203 -5.797 4.704 1.00 0.00 H new ATOM 0 HA SER A 4 96.216 -8.023 4.748 1.00 0.00 H new ATOM 0 HB2 SER A 4 94.280 -9.390 3.663 1.00 0.00 H new ATOM 0 HB3 SER A 4 94.199 -9.192 5.402 1.00 0.00 H new ATOM 0 HG SER A 4 92.178 -8.664 4.364 1.00 0.00 H new ATOM 58 N TYR A 5 95.766 -8.032 2.042 1.00 0.00 N ATOM 59 CA TYR A 5 95.941 -7.610 0.621 1.00 0.00 C ATOM 60 C TYR A 5 95.362 -8.667 -0.320 1.00 0.00 C ATOM 61 O TYR A 5 95.287 -9.833 0.021 1.00 0.00 O ATOM 62 CB TYR A 5 97.450 -7.447 0.414 1.00 0.00 C ATOM 63 CG TYR A 5 98.168 -8.745 0.697 1.00 0.00 C ATOM 64 CD1 TYR A 5 98.381 -9.666 -0.335 1.00 0.00 C ATOM 65 CD2 TYR A 5 98.631 -9.023 1.989 1.00 0.00 C ATOM 66 CE1 TYR A 5 99.055 -10.865 -0.076 1.00 0.00 C ATOM 67 CE2 TYR A 5 99.307 -10.220 2.248 1.00 0.00 C ATOM 68 CZ TYR A 5 99.519 -11.141 1.215 1.00 0.00 C ATOM 69 OH TYR A 5 100.188 -12.321 1.471 1.00 0.00 O ATOM 0 H TYR A 5 95.892 -9.028 2.221 1.00 0.00 H new ATOM 0 HA TYR A 5 95.416 -6.679 0.405 1.00 0.00 H new ATOM 0 HB2 TYR A 5 97.650 -7.130 -0.610 1.00 0.00 H new ATOM 0 HB3 TYR A 5 97.830 -6.664 1.070 1.00 0.00 H new ATOM 0 HD1 TYR A 5 98.025 -9.451 -1.332 1.00 0.00 H new ATOM 0 HD2 TYR A 5 98.466 -8.313 2.786 1.00 0.00 H new ATOM 0 HE1 TYR A 5 99.217 -11.577 -0.872 1.00 0.00 H new ATOM 0 HE2 TYR A 5 99.665 -10.434 3.244 1.00 0.00 H new ATOM 0 HH TYR A 5 101.116 -12.124 1.718 1.00 0.00 H new ATOM 79 N ASP A 6 94.943 -8.271 -1.499 1.00 0.00 N ATOM 80 CA ASP A 6 94.360 -9.261 -2.454 1.00 0.00 C ATOM 81 C ASP A 6 94.976 -9.079 -3.860 1.00 0.00 C ATOM 82 O ASP A 6 95.306 -7.974 -4.242 1.00 0.00 O ATOM 83 CB ASP A 6 92.867 -8.947 -2.459 1.00 0.00 C ATOM 84 CG ASP A 6 92.070 -10.239 -2.644 1.00 0.00 C ATOM 85 OD1 ASP A 6 91.827 -10.606 -3.781 1.00 0.00 O ATOM 86 OD2 ASP A 6 91.714 -10.838 -1.642 1.00 0.00 O1- ATOM 0 H ASP A 6 94.980 -7.310 -1.838 1.00 0.00 H new ATOM 0 HA ASP A 6 94.559 -10.294 -2.167 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.584 -8.464 -1.524 1.00 0.00 H new ATOM 0 HB3 ASP A 6 92.635 -8.247 -3.262 1.00 0.00 H new ATOM 91 N PRO A 7 95.139 -10.174 -4.583 1.00 0.00 N ATOM 92 CA PRO A 7 95.751 -10.111 -5.936 1.00 0.00 C ATOM 93 C PRO A 7 94.721 -9.860 -7.058 1.00 0.00 C ATOM 94 O PRO A 7 94.727 -10.544 -8.064 1.00 0.00 O ATOM 95 CB PRO A 7 96.369 -11.497 -6.093 1.00 0.00 C ATOM 96 CG PRO A 7 95.578 -12.407 -5.194 1.00 0.00 C ATOM 97 CD PRO A 7 94.793 -11.556 -4.222 1.00 0.00 C ATOM 0 HA PRO A 7 96.457 -9.285 -6.020 1.00 0.00 H new ATOM 0 HB2 PRO A 7 96.319 -11.832 -7.129 1.00 0.00 H new ATOM 0 HB3 PRO A 7 97.422 -11.489 -5.811 1.00 0.00 H new ATOM 0 HG2 PRO A 7 94.904 -13.029 -5.783 1.00 0.00 H new ATOM 0 HG3 PRO A 7 96.245 -13.081 -4.655 1.00 0.00 H new ATOM 0 HD2 PRO A 7 93.722 -11.734 -4.314 1.00 0.00 H new ATOM 0 HD3 PRO A 7 95.066 -11.777 -3.190 1.00 0.00 H new ATOM 105 N ILE A 8 93.865 -8.873 -6.922 1.00 0.00 N ATOM 106 CA ILE A 8 92.875 -8.583 -8.025 1.00 0.00 C ATOM 107 C ILE A 8 92.815 -7.074 -8.328 1.00 0.00 C ATOM 108 O ILE A 8 92.018 -6.635 -9.134 1.00 0.00 O ATOM 109 CB ILE A 8 91.490 -9.142 -7.594 1.00 0.00 C ATOM 110 CG1 ILE A 8 90.737 -8.162 -6.674 1.00 0.00 C ATOM 111 CG2 ILE A 8 91.655 -10.486 -6.880 1.00 0.00 C ATOM 112 CD1 ILE A 8 91.567 -7.870 -5.428 1.00 0.00 C ATOM 0 H ILE A 8 93.804 -8.260 -6.109 1.00 0.00 H new ATOM 0 HA ILE A 8 93.187 -9.070 -8.948 1.00 0.00 H new ATOM 0 HB ILE A 8 90.901 -9.278 -8.501 1.00 0.00 H new ATOM 0 HG12 ILE A 8 90.531 -7.235 -7.209 1.00 0.00 H new ATOM 0 HG13 ILE A 8 89.774 -8.586 -6.388 1.00 0.00 H new ATOM 0 HG21 ILE A 8 90.676 -10.864 -6.585 1.00 0.00 H new ATOM 0 HG22 ILE A 8 92.131 -11.199 -7.553 1.00 0.00 H new ATOM 0 HG23 ILE A 8 92.275 -10.353 -5.993 1.00 0.00 H new ATOM 0 HD11 ILE A 8 91.026 -7.176 -4.785 1.00 0.00 H new ATOM 0 HD12 ILE A 8 91.751 -8.798 -4.887 1.00 0.00 H new ATOM 0 HD13 ILE A 8 92.519 -7.426 -5.720 1.00 0.00 H new ATOM 124 N TYR A 9 93.666 -6.287 -7.718 1.00 0.00 N ATOM 125 CA TYR A 9 93.674 -4.827 -8.002 1.00 0.00 C ATOM 126 C TYR A 9 94.990 -4.448 -8.682 1.00 0.00 C ATOM 127 O TYR A 9 95.798 -3.699 -8.179 1.00 0.00 O ATOM 128 CB TYR A 9 93.474 -4.107 -6.667 1.00 0.00 C ATOM 129 CG TYR A 9 92.036 -4.243 -6.226 1.00 0.00 C ATOM 130 CD1 TYR A 9 91.004 -3.818 -7.070 1.00 0.00 C ATOM 131 CD2 TYR A 9 91.733 -4.795 -4.975 1.00 0.00 C ATOM 132 CE1 TYR A 9 89.671 -3.943 -6.664 1.00 0.00 C ATOM 133 CE2 TYR A 9 90.399 -4.919 -4.569 1.00 0.00 C ATOM 134 CZ TYR A 9 89.369 -4.495 -5.415 1.00 0.00 C ATOM 135 OH TYR A 9 88.058 -4.617 -5.015 1.00 0.00 O ATOM 0 H TYR A 9 94.356 -6.598 -7.034 1.00 0.00 H new ATOM 0 HA TYR A 9 92.875 -4.537 -8.684 1.00 0.00 H new ATOM 0 HB2 TYR A 9 94.137 -4.529 -5.912 1.00 0.00 H new ATOM 0 HB3 TYR A 9 93.735 -3.054 -6.768 1.00 0.00 H new ATOM 0 HD1 TYR A 9 91.237 -3.393 -8.035 1.00 0.00 H new ATOM 0 HD2 TYR A 9 92.529 -5.125 -4.323 1.00 0.00 H new ATOM 0 HE1 TYR A 9 88.875 -3.613 -7.315 1.00 0.00 H new ATOM 0 HE2 TYR A 9 90.165 -5.342 -3.603 1.00 0.00 H new ATOM 0 HH TYR A 9 88.006 -5.222 -4.246 1.00 0.00 H new ATOM 145 N ALA A 10 95.147 -4.938 -9.882 1.00 0.00 N ATOM 146 CA ALA A 10 96.343 -4.616 -10.712 1.00 0.00 C ATOM 147 C ALA A 10 95.952 -3.572 -11.758 1.00 0.00 C ATOM 148 O ALA A 10 94.801 -3.199 -11.884 1.00 0.00 O ATOM 149 CB ALA A 10 96.781 -5.929 -11.361 1.00 0.00 C ATOM 0 H ALA A 10 94.479 -5.564 -10.332 1.00 0.00 H new ATOM 0 HA ALA A 10 97.162 -4.200 -10.126 1.00 0.00 H new ATOM 0 HB1 ALA A 10 97.658 -5.752 -11.984 1.00 0.00 H new ATOM 0 HB2 ALA A 10 97.027 -6.654 -10.585 1.00 0.00 H new ATOM 0 HB3 ALA A 10 95.971 -6.318 -11.977 1.00 0.00 H new ATOM 155 N ALA A 11 96.928 -3.045 -12.446 1.00 0.00 N ATOM 156 CA ALA A 11 96.669 -1.948 -13.428 1.00 0.00 C ATOM 157 C ALA A 11 95.706 -2.342 -14.553 1.00 0.00 C ATOM 158 O ALA A 11 94.996 -1.487 -15.056 1.00 0.00 O ATOM 159 CB ALA A 11 98.039 -1.589 -14.006 1.00 0.00 C ATOM 0 H ALA A 11 97.905 -3.329 -12.370 1.00 0.00 H new ATOM 0 HA ALA A 11 96.182 -1.112 -12.925 1.00 0.00 H new ATOM 0 HB1 ALA A 11 97.927 -0.788 -14.737 1.00 0.00 H new ATOM 0 HB2 ALA A 11 98.697 -1.258 -13.203 1.00 0.00 H new ATOM 0 HB3 ALA A 11 98.470 -2.465 -14.491 1.00 0.00 H new ATOM 165 N ASP A 12 95.683 -3.579 -15.004 1.00 0.00 N ATOM 166 CA ASP A 12 94.765 -3.901 -16.145 1.00 0.00 C ATOM 167 C ASP A 12 93.368 -4.316 -15.665 1.00 0.00 C ATOM 168 O ASP A 12 92.564 -4.804 -16.437 1.00 0.00 O ATOM 169 CB ASP A 12 95.446 -5.029 -16.919 1.00 0.00 C ATOM 170 CG ASP A 12 96.689 -4.492 -17.634 1.00 0.00 C ATOM 171 OD1 ASP A 12 96.704 -3.317 -17.965 1.00 0.00 O1- ATOM 172 OD2 ASP A 12 97.606 -5.270 -17.845 1.00 0.00 O ATOM 0 H ASP A 12 96.240 -4.354 -14.645 1.00 0.00 H new ATOM 0 HA ASP A 12 94.602 -3.024 -16.772 1.00 0.00 H new ATOM 0 HB2 ASP A 12 95.726 -5.832 -16.238 1.00 0.00 H new ATOM 0 HB3 ASP A 12 94.753 -5.454 -17.645 1.00 0.00 H new ATOM 177 N LEU A 13 93.071 -4.124 -14.407 1.00 0.00 N ATOM 178 CA LEU A 13 91.725 -4.501 -13.878 1.00 0.00 C ATOM 179 C LEU A 13 90.669 -3.523 -14.392 1.00 0.00 C ATOM 180 O LEU A 13 90.786 -2.324 -14.216 1.00 0.00 O ATOM 181 CB LEU A 13 91.847 -4.387 -12.356 1.00 0.00 C ATOM 182 CG LEU A 13 90.511 -4.754 -11.699 1.00 0.00 C ATOM 183 CD1 LEU A 13 90.252 -6.253 -11.874 1.00 0.00 C ATOM 184 CD2 LEU A 13 90.557 -4.403 -10.207 1.00 0.00 C ATOM 0 H LEU A 13 93.706 -3.720 -13.718 1.00 0.00 H new ATOM 0 HA LEU A 13 91.426 -5.501 -14.192 1.00 0.00 H new ATOM 0 HB2 LEU A 13 92.634 -5.048 -11.995 1.00 0.00 H new ATOM 0 HB3 LEU A 13 92.132 -3.372 -12.080 1.00 0.00 H new ATOM 0 HG LEU A 13 89.706 -4.192 -12.172 1.00 0.00 H new ATOM 0 HD11 LEU A 13 89.302 -6.515 -11.407 1.00 0.00 H new ATOM 0 HD12 LEU A 13 90.213 -6.494 -12.936 1.00 0.00 H new ATOM 0 HD13 LEU A 13 91.056 -6.819 -11.403 1.00 0.00 H new ATOM 0 HD21 LEU A 13 89.606 -4.665 -9.742 1.00 0.00 H new ATOM 0 HD22 LEU A 13 91.361 -4.960 -9.727 1.00 0.00 H new ATOM 0 HD23 LEU A 13 90.736 -3.334 -10.090 1.00 0.00 H new ATOM 196 N SER A 14 89.642 -4.030 -15.018 1.00 0.00 N ATOM 197 CA SER A 14 88.575 -3.130 -15.536 1.00 0.00 C ATOM 198 C SER A 14 87.788 -2.550 -14.359 1.00 0.00 C ATOM 199 O SER A 14 87.462 -3.240 -13.412 1.00 0.00 O ATOM 200 CB SER A 14 87.690 -3.998 -16.426 1.00 0.00 C ATOM 201 OG SER A 14 88.413 -4.362 -17.594 1.00 0.00 O ATOM 0 H SER A 14 89.497 -5.024 -15.192 1.00 0.00 H new ATOM 0 HA SER A 14 88.975 -2.289 -16.102 1.00 0.00 H new ATOM 0 HB2 SER A 14 87.376 -4.891 -15.886 1.00 0.00 H new ATOM 0 HB3 SER A 14 86.785 -3.455 -16.699 1.00 0.00 H new ATOM 0 HG SER A 14 87.848 -4.921 -18.167 1.00 0.00 H new ATOM 207 N MET A 15 87.510 -1.278 -14.411 1.00 0.00 N ATOM 208 CA MET A 15 86.767 -0.611 -13.293 1.00 0.00 C ATOM 209 C MET A 15 85.335 -1.148 -13.164 1.00 0.00 C ATOM 210 O MET A 15 84.686 -0.941 -12.156 1.00 0.00 O ATOM 211 CB MET A 15 86.745 0.876 -13.654 1.00 0.00 C ATOM 212 CG MET A 15 88.164 1.448 -13.583 1.00 0.00 C ATOM 213 SD MET A 15 88.742 1.433 -11.868 1.00 0.00 S ATOM 214 CE MET A 15 87.645 2.732 -11.248 1.00 0.00 C ATOM 0 H MET A 15 87.765 -0.663 -15.183 1.00 0.00 H new ATOM 0 HA MET A 15 87.250 -0.800 -12.334 1.00 0.00 H new ATOM 0 HB2 MET A 15 86.339 1.010 -14.656 1.00 0.00 H new ATOM 0 HB3 MET A 15 86.091 1.416 -12.970 1.00 0.00 H new ATOM 0 HG2 MET A 15 88.835 0.860 -14.208 1.00 0.00 H new ATOM 0 HG3 MET A 15 88.176 2.466 -13.972 1.00 0.00 H new ATOM 0 HE1 MET A 15 88.171 3.327 -10.502 1.00 0.00 H new ATOM 0 HE2 MET A 15 87.338 3.374 -12.074 1.00 0.00 H new ATOM 0 HE3 MET A 15 86.764 2.278 -10.794 1.00 0.00 H new ATOM 224 N GLY A 16 84.825 -1.815 -14.170 1.00 0.00 N ATOM 225 CA GLY A 16 83.426 -2.341 -14.099 1.00 0.00 C ATOM 226 C GLY A 16 83.334 -3.551 -13.166 1.00 0.00 C ATOM 227 O GLY A 16 82.249 -3.994 -12.839 1.00 0.00 O ATOM 0 H GLY A 16 85.318 -2.018 -15.039 1.00 0.00 H new ATOM 0 HA2 GLY A 16 82.757 -1.556 -13.747 1.00 0.00 H new ATOM 0 HA3 GLY A 16 83.090 -2.622 -15.097 1.00 0.00 H new ATOM 231 N SER A 17 84.444 -4.108 -12.750 1.00 0.00 N ATOM 232 CA SER A 17 84.393 -5.305 -11.861 1.00 0.00 C ATOM 233 C SER A 17 84.370 -4.919 -10.375 1.00 0.00 C ATOM 234 O SER A 17 84.251 -5.779 -9.522 1.00 0.00 O ATOM 235 CB SER A 17 85.661 -6.089 -12.188 1.00 0.00 C ATOM 236 OG SER A 17 85.639 -6.469 -13.558 1.00 0.00 O ATOM 0 H SER A 17 85.382 -3.785 -12.988 1.00 0.00 H new ATOM 0 HA SER A 17 83.484 -5.882 -12.030 1.00 0.00 H new ATOM 0 HB2 SER A 17 86.542 -5.481 -11.982 1.00 0.00 H new ATOM 0 HB3 SER A 17 85.729 -6.973 -11.555 1.00 0.00 H new ATOM 0 HG SER A 17 86.453 -6.971 -13.771 1.00 0.00 H new ATOM 242 N VAL A 18 84.493 -3.653 -10.046 1.00 0.00 N ATOM 243 CA VAL A 18 84.485 -3.260 -8.604 1.00 0.00 C ATOM 244 C VAL A 18 83.107 -2.714 -8.205 1.00 0.00 C ATOM 245 O VAL A 18 82.262 -2.469 -9.044 1.00 0.00 O ATOM 246 CB VAL A 18 85.575 -2.185 -8.480 1.00 0.00 C ATOM 247 CG1 VAL A 18 85.240 -0.985 -9.377 1.00 0.00 C ATOM 248 CG2 VAL A 18 85.681 -1.722 -7.026 1.00 0.00 C ATOM 0 H VAL A 18 84.597 -2.884 -10.708 1.00 0.00 H new ATOM 0 HA VAL A 18 84.679 -4.103 -7.940 1.00 0.00 H new ATOM 0 HB VAL A 18 86.527 -2.611 -8.797 1.00 0.00 H new ATOM 0 HG11 VAL A 18 86.020 -0.230 -9.280 1.00 0.00 H new ATOM 0 HG12 VAL A 18 85.178 -1.312 -10.415 1.00 0.00 H new ATOM 0 HG13 VAL A 18 84.283 -0.560 -9.073 1.00 0.00 H new ATOM 0 HG21 VAL A 18 86.455 -0.959 -6.943 1.00 0.00 H new ATOM 0 HG22 VAL A 18 84.726 -1.306 -6.706 1.00 0.00 H new ATOM 0 HG23 VAL A 18 85.938 -2.571 -6.392 1.00 0.00 H new ATOM 258 N ALA A 19 82.874 -2.534 -6.928 1.00 0.00 N ATOM 259 CA ALA A 19 81.549 -2.014 -6.462 1.00 0.00 C ATOM 260 C ALA A 19 81.279 -0.632 -7.066 1.00 0.00 C ATOM 261 O ALA A 19 80.171 -0.323 -7.449 1.00 0.00 O ATOM 262 CB ALA A 19 81.657 -1.924 -4.934 1.00 0.00 C ATOM 0 H ALA A 19 83.546 -2.725 -6.185 1.00 0.00 H new ATOM 0 HA ALA A 19 80.727 -2.661 -6.768 1.00 0.00 H new ATOM 0 HB1 ALA A 19 80.719 -1.549 -4.524 1.00 0.00 H new ATOM 0 HB2 ALA A 19 81.862 -2.913 -4.525 1.00 0.00 H new ATOM 0 HB3 ALA A 19 82.467 -1.246 -4.666 1.00 0.00 H new ATOM 268 N CYS A 20 82.283 0.199 -7.141 1.00 0.00 N ATOM 269 CA CYS A 20 82.088 1.566 -7.718 1.00 0.00 C ATOM 270 C CYS A 20 82.049 1.485 -9.254 1.00 0.00 C ATOM 271 O CYS A 20 82.953 1.940 -9.931 1.00 0.00 O ATOM 272 CB CYS A 20 83.312 2.367 -7.243 1.00 0.00 C ATOM 273 SG CYS A 20 82.788 3.984 -6.609 1.00 0.00 S ATOM 0 H CYS A 20 83.232 -0.007 -6.828 1.00 0.00 H new ATOM 0 HA CYS A 20 81.153 2.028 -7.402 1.00 0.00 H new ATOM 0 HB2 CYS A 20 83.838 1.815 -6.464 1.00 0.00 H new ATOM 0 HB3 CYS A 20 84.012 2.500 -8.068 1.00 0.00 H new ATOM 278 N SER A 21 81.011 0.901 -9.809 1.00 0.00 N ATOM 279 CA SER A 21 80.912 0.777 -11.295 1.00 0.00 C ATOM 280 C SER A 21 79.835 1.712 -11.847 1.00 0.00 C ATOM 281 O SER A 21 78.654 1.521 -11.632 1.00 0.00 O ATOM 282 CB SER A 21 80.542 -0.682 -11.553 1.00 0.00 C ATOM 283 OG SER A 21 81.729 -1.439 -11.746 1.00 0.00 O ATOM 0 H SER A 21 80.227 0.504 -9.292 1.00 0.00 H new ATOM 0 HA SER A 21 81.844 1.054 -11.787 1.00 0.00 H new ATOM 0 HB2 SER A 21 79.976 -1.080 -10.711 1.00 0.00 H new ATOM 0 HB3 SER A 21 79.902 -0.757 -12.432 1.00 0.00 H new ATOM 0 HG SER A 21 82.006 -1.836 -10.894 1.00 0.00 H new ATOM 289 N ASN A 22 80.247 2.722 -12.555 1.00 0.00 N ATOM 290 CA ASN A 22 79.300 3.710 -13.152 1.00 0.00 C ATOM 291 C ASN A 22 78.298 4.233 -12.104 1.00 0.00 C ATOM 292 O ASN A 22 78.655 4.473 -10.966 1.00 0.00 O ATOM 293 CB ASN A 22 78.629 2.981 -14.318 1.00 0.00 C ATOM 294 CG ASN A 22 78.232 3.993 -15.399 1.00 0.00 C ATOM 295 OD1 ASN A 22 78.170 5.180 -15.149 1.00 0.00 O ATOM 296 ND2 ASN A 22 77.960 3.566 -16.602 1.00 0.00 N ATOM 0 H ASN A 22 81.229 2.912 -12.752 1.00 0.00 H new ATOM 0 HA ASN A 22 79.809 4.605 -13.508 1.00 0.00 H new ATOM 0 HB2 ASN A 22 79.309 2.237 -14.734 1.00 0.00 H new ATOM 0 HB3 ASN A 22 77.747 2.445 -13.966 1.00 0.00 H new ATOM 0 HD21 ASN A 22 77.696 4.229 -17.331 1.00 0.00 H new ATOM 0 HD22 ASN A 22 78.012 2.569 -16.813 1.00 0.00 H new ATOM 303 N GLY A 23 77.059 4.432 -12.473 1.00 0.00 N ATOM 304 CA GLY A 23 76.072 4.966 -11.492 1.00 0.00 C ATOM 305 C GLY A 23 76.508 6.382 -11.105 1.00 0.00 C ATOM 306 O GLY A 23 77.125 7.083 -11.885 1.00 0.00 O ATOM 0 H GLY A 23 76.691 4.249 -13.406 1.00 0.00 H new ATOM 0 HA2 GLY A 23 75.072 4.980 -11.927 1.00 0.00 H new ATOM 0 HA3 GLY A 23 76.027 4.327 -10.610 1.00 0.00 H new ATOM 310 N ASP A 24 76.193 6.803 -9.912 1.00 0.00 N ATOM 311 CA ASP A 24 76.589 8.175 -9.466 1.00 0.00 C ATOM 312 C ASP A 24 78.055 8.216 -9.004 1.00 0.00 C ATOM 313 O ASP A 24 78.791 9.120 -9.351 1.00 0.00 O ATOM 314 CB ASP A 24 75.653 8.499 -8.302 1.00 0.00 C ATOM 315 CG ASP A 24 75.806 9.972 -7.899 1.00 0.00 C ATOM 316 OD1 ASP A 24 76.845 10.546 -8.182 1.00 0.00 O1- ATOM 317 OD2 ASP A 24 74.878 10.499 -7.305 1.00 0.00 O ATOM 0 H ASP A 24 75.677 6.257 -9.222 1.00 0.00 H new ATOM 0 HA ASP A 24 76.508 8.897 -10.279 1.00 0.00 H new ATOM 0 HB2 ASP A 24 74.621 8.297 -8.588 1.00 0.00 H new ATOM 0 HB3 ASP A 24 75.880 7.855 -7.452 1.00 0.00 H new ATOM 322 N HIS A 25 78.475 7.268 -8.201 1.00 0.00 N ATOM 323 CA HIS A 25 79.889 7.280 -7.688 1.00 0.00 C ATOM 324 C HIS A 25 80.841 6.515 -8.619 1.00 0.00 C ATOM 325 O HIS A 25 82.014 6.379 -8.323 1.00 0.00 O ATOM 326 CB HIS A 25 79.851 6.573 -6.328 1.00 0.00 C ATOM 327 CG HIS A 25 78.779 7.156 -5.448 1.00 0.00 C ATOM 328 ND1 HIS A 25 78.796 8.474 -5.019 1.00 0.00 N ATOM 329 CD2 HIS A 25 77.650 6.599 -4.908 1.00 0.00 C ATOM 330 CE1 HIS A 25 77.703 8.664 -4.256 1.00 0.00 C ATOM 331 NE2 HIS A 25 76.969 7.551 -4.156 1.00 0.00 N ATOM 0 H HIS A 25 77.904 6.487 -7.877 1.00 0.00 H new ATOM 0 HA HIS A 25 80.254 8.305 -7.624 1.00 0.00 H new ATOM 0 HB2 HIS A 25 79.669 5.508 -6.473 1.00 0.00 H new ATOM 0 HB3 HIS A 25 80.820 6.667 -5.838 1.00 0.00 H new ATOM 0 HD2 HIS A 25 77.336 5.575 -5.045 1.00 0.00 H new ATOM 0 HE1 HIS A 25 77.450 9.601 -3.783 1.00 0.00 H new ATOM 0 HE2 HIS A 25 76.098 7.427 -3.640 1.00 0.00 H new ATOM 339 N GLY A 26 80.358 5.996 -9.723 1.00 0.00 N ATOM 340 CA GLY A 26 81.252 5.224 -10.645 1.00 0.00 C ATOM 341 C GLY A 26 82.466 6.050 -11.052 1.00 0.00 C ATOM 342 O GLY A 26 82.358 7.201 -11.434 1.00 0.00 O ATOM 0 H GLY A 26 79.387 6.073 -10.025 1.00 0.00 H new ATOM 0 HA2 GLY A 26 81.580 4.307 -10.155 1.00 0.00 H new ATOM 0 HA3 GLY A 26 80.695 4.929 -11.534 1.00 0.00 H new ATOM 346 N LEU A 27 83.618 5.445 -11.001 1.00 0.00 N ATOM 347 CA LEU A 27 84.865 6.146 -11.412 1.00 0.00 C ATOM 348 C LEU A 27 85.259 5.729 -12.840 1.00 0.00 C ATOM 349 O LEU A 27 86.171 6.282 -13.421 1.00 0.00 O ATOM 350 CB LEU A 27 85.921 5.695 -10.402 1.00 0.00 C ATOM 351 CG LEU A 27 85.523 6.179 -9.006 1.00 0.00 C ATOM 352 CD1 LEU A 27 86.485 5.599 -7.965 1.00 0.00 C ATOM 353 CD2 LEU A 27 85.583 7.709 -8.961 1.00 0.00 C ATOM 0 H LEU A 27 83.750 4.483 -10.688 1.00 0.00 H new ATOM 0 HA LEU A 27 84.751 7.230 -11.421 1.00 0.00 H new ATOM 0 HB2 LEU A 27 86.010 4.609 -10.411 1.00 0.00 H new ATOM 0 HB3 LEU A 27 86.897 6.097 -10.675 1.00 0.00 H new ATOM 0 HG LEU A 27 84.509 5.847 -8.784 1.00 0.00 H new ATOM 0 HD11 LEU A 27 86.199 5.946 -6.972 1.00 0.00 H new ATOM 0 HD12 LEU A 27 86.441 4.510 -7.996 1.00 0.00 H new ATOM 0 HD13 LEU A 27 87.501 5.928 -8.185 1.00 0.00 H new ATOM 0 HD21 LEU A 27 85.300 8.055 -7.967 1.00 0.00 H new ATOM 0 HD22 LEU A 27 86.597 8.040 -9.185 1.00 0.00 H new ATOM 0 HD23 LEU A 27 84.895 8.122 -9.699 1.00 0.00 H new ATOM 365 N MET A 28 84.570 4.764 -13.412 1.00 0.00 N ATOM 366 CA MET A 28 84.891 4.319 -14.802 1.00 0.00 C ATOM 367 C MET A 28 84.726 5.486 -15.779 1.00 0.00 C ATOM 368 O MET A 28 85.438 5.593 -16.759 1.00 0.00 O ATOM 369 CB MET A 28 83.879 3.212 -15.120 1.00 0.00 C ATOM 370 CG MET A 28 84.136 2.666 -16.529 1.00 0.00 C ATOM 371 SD MET A 28 82.905 1.399 -16.924 1.00 0.00 S ATOM 372 CE MET A 28 83.522 0.125 -15.798 1.00 0.00 C ATOM 0 H MET A 28 83.797 4.267 -12.970 1.00 0.00 H new ATOM 0 HA MET A 28 85.918 3.966 -14.890 1.00 0.00 H new ATOM 0 HB2 MET A 28 83.962 2.409 -14.388 1.00 0.00 H new ATOM 0 HB3 MET A 28 82.864 3.603 -15.051 1.00 0.00 H new ATOM 0 HG2 MET A 28 84.087 3.475 -17.258 1.00 0.00 H new ATOM 0 HG3 MET A 28 85.139 2.244 -16.589 1.00 0.00 H new ATOM 0 HE1 MET A 28 83.241 -0.859 -16.173 1.00 0.00 H new ATOM 0 HE2 MET A 28 84.608 0.192 -15.733 1.00 0.00 H new ATOM 0 HE3 MET A 28 83.089 0.273 -14.809 1.00 0.00 H new ATOM 382 N ALA A 29 83.760 6.334 -15.535 1.00 0.00 N ATOM 383 CA ALA A 29 83.499 7.480 -16.465 1.00 0.00 C ATOM 384 C ALA A 29 84.775 8.287 -16.745 1.00 0.00 C ATOM 385 O ALA A 29 85.342 8.204 -17.819 1.00 0.00 O ATOM 386 CB ALA A 29 82.465 8.348 -15.749 1.00 0.00 C ATOM 0 H ALA A 29 83.137 6.284 -14.729 1.00 0.00 H new ATOM 0 HA ALA A 29 83.148 7.128 -17.435 1.00 0.00 H new ATOM 0 HB1 ALA A 29 82.222 9.211 -16.369 1.00 0.00 H new ATOM 0 HB2 ALA A 29 81.562 7.764 -15.569 1.00 0.00 H new ATOM 0 HB3 ALA A 29 82.873 8.689 -14.797 1.00 0.00 H new ATOM 392 N GLN A 30 85.229 9.066 -15.792 1.00 0.00 N ATOM 393 CA GLN A 30 86.469 9.877 -16.008 1.00 0.00 C ATOM 394 C GLN A 30 87.694 8.965 -16.065 1.00 0.00 C ATOM 395 O GLN A 30 88.601 9.167 -16.851 1.00 0.00 O ATOM 396 CB GLN A 30 86.549 10.805 -14.800 1.00 0.00 C ATOM 397 CG GLN A 30 85.434 11.839 -14.895 1.00 0.00 C ATOM 398 CD GLN A 30 85.329 12.626 -13.584 1.00 0.00 C ATOM 399 OE1 GLN A 30 85.942 12.276 -12.595 1.00 0.00 O ATOM 400 NE2 GLN A 30 84.562 13.681 -13.534 1.00 0.00 N ATOM 0 H GLN A 30 84.795 9.175 -14.875 1.00 0.00 H new ATOM 0 HA GLN A 30 86.442 10.430 -16.947 1.00 0.00 H new ATOM 0 HB2 GLN A 30 86.453 10.232 -13.878 1.00 0.00 H new ATOM 0 HB3 GLN A 30 87.520 11.300 -14.769 1.00 0.00 H new ATOM 0 HG2 GLN A 30 85.630 12.521 -15.722 1.00 0.00 H new ATOM 0 HG3 GLN A 30 84.486 11.344 -15.108 1.00 0.00 H new ATOM 0 HE21 GLN A 30 84.047 13.977 -14.363 1.00 0.00 H new ATOM 0 HE22 GLN A 30 84.478 14.210 -12.666 1.00 0.00 H new ATOM 409 N TYR A 31 87.724 7.971 -15.219 1.00 0.00 N ATOM 410 CA TYR A 31 88.886 7.035 -15.185 1.00 0.00 C ATOM 411 C TYR A 31 88.396 5.612 -15.486 1.00 0.00 C ATOM 412 O TYR A 31 87.999 4.901 -14.583 1.00 0.00 O ATOM 413 CB TYR A 31 89.433 7.116 -13.752 1.00 0.00 C ATOM 414 CG TYR A 31 89.752 8.551 -13.394 1.00 0.00 C ATOM 415 CD1 TYR A 31 90.960 9.125 -13.806 1.00 0.00 C ATOM 416 CD2 TYR A 31 88.837 9.304 -12.649 1.00 0.00 C ATOM 417 CE1 TYR A 31 91.253 10.454 -13.473 1.00 0.00 C ATOM 418 CE2 TYR A 31 89.129 10.633 -12.318 1.00 0.00 C ATOM 419 CZ TYR A 31 90.337 11.208 -12.729 1.00 0.00 C ATOM 420 OH TYR A 31 90.624 12.517 -12.400 1.00 0.00 O ATOM 0 H TYR A 31 86.987 7.765 -14.544 1.00 0.00 H new ATOM 0 HA TYR A 31 89.650 7.290 -15.920 1.00 0.00 H new ATOM 0 HB2 TYR A 31 88.701 6.713 -13.052 1.00 0.00 H new ATOM 0 HB3 TYR A 31 90.330 6.503 -13.662 1.00 0.00 H new ATOM 0 HD1 TYR A 31 91.666 8.544 -14.380 1.00 0.00 H new ATOM 0 HD2 TYR A 31 87.906 8.860 -12.329 1.00 0.00 H new ATOM 0 HE1 TYR A 31 92.185 10.897 -13.790 1.00 0.00 H new ATOM 0 HE2 TYR A 31 88.422 11.215 -11.745 1.00 0.00 H new ATOM 0 HH TYR A 31 89.882 12.895 -11.883 1.00 0.00 H new ATOM 430 N PRO A 32 88.411 5.237 -16.748 1.00 0.00 N ATOM 431 CA PRO A 32 87.928 3.885 -17.129 1.00 0.00 C ATOM 432 C PRO A 32 88.881 2.784 -16.635 1.00 0.00 C ATOM 433 O PRO A 32 88.545 1.615 -16.667 1.00 0.00 O ATOM 434 CB PRO A 32 87.879 3.936 -18.655 1.00 0.00 C ATOM 435 CG PRO A 32 88.859 4.998 -19.037 1.00 0.00 C ATOM 436 CD PRO A 32 88.872 6.004 -17.918 1.00 0.00 C ATOM 0 HA PRO A 32 86.963 3.644 -16.684 1.00 0.00 H new ATOM 0 HB2 PRO A 32 88.149 2.974 -19.091 1.00 0.00 H new ATOM 0 HB3 PRO A 32 86.877 4.177 -19.010 1.00 0.00 H new ATOM 0 HG2 PRO A 32 89.851 4.572 -19.185 1.00 0.00 H new ATOM 0 HG3 PRO A 32 88.571 5.469 -19.977 1.00 0.00 H new ATOM 0 HD2 PRO A 32 89.870 6.413 -17.760 1.00 0.00 H new ATOM 0 HD3 PRO A 32 88.212 6.846 -18.129 1.00 0.00 H new ATOM 444 N THR A 33 90.060 3.141 -16.182 1.00 0.00 N ATOM 445 CA THR A 33 91.020 2.104 -15.693 1.00 0.00 C ATOM 446 C THR A 33 91.562 2.484 -14.312 1.00 0.00 C ATOM 447 O THR A 33 91.786 3.643 -14.016 1.00 0.00 O ATOM 448 CB THR A 33 92.146 2.087 -16.725 1.00 0.00 C ATOM 449 OG1 THR A 33 91.591 1.980 -18.028 1.00 0.00 O ATOM 450 CG2 THR A 33 93.058 0.889 -16.459 1.00 0.00 C ATOM 0 H THR A 33 90.397 4.102 -16.130 1.00 0.00 H new ATOM 0 HA THR A 33 90.548 1.127 -15.587 1.00 0.00 H new ATOM 0 HB THR A 33 92.724 3.008 -16.651 1.00 0.00 H new ATOM 0 HG1 THR A 33 92.313 1.971 -18.691 1.00 0.00 H new ATOM 0 HG21 THR A 33 93.863 0.874 -17.194 1.00 0.00 H new ATOM 0 HG22 THR A 33 93.482 0.970 -15.458 1.00 0.00 H new ATOM 0 HG23 THR A 33 92.480 -0.032 -16.535 1.00 0.00 H new ATOM 458 N LEU A 34 91.765 1.505 -13.467 1.00 0.00 N ATOM 459 CA LEU A 34 92.287 1.783 -12.091 1.00 0.00 C ATOM 460 C LEU A 34 93.733 2.282 -12.167 1.00 0.00 C ATOM 461 O LEU A 34 94.606 1.587 -12.653 1.00 0.00 O ATOM 462 CB LEU A 34 92.242 0.426 -11.374 1.00 0.00 C ATOM 463 CG LEU A 34 92.747 0.580 -9.934 1.00 0.00 C ATOM 464 CD1 LEU A 34 91.728 1.376 -9.111 1.00 0.00 C ATOM 465 CD2 LEU A 34 92.939 -0.808 -9.314 1.00 0.00 C ATOM 0 H LEU A 34 91.591 0.521 -13.670 1.00 0.00 H new ATOM 0 HA LEU A 34 91.705 2.547 -11.576 1.00 0.00 H new ATOM 0 HB2 LEU A 34 91.223 0.040 -11.372 1.00 0.00 H new ATOM 0 HB3 LEU A 34 92.856 -0.298 -11.909 1.00 0.00 H new ATOM 0 HG LEU A 34 93.698 1.113 -9.937 1.00 0.00 H new ATOM 0 HD11 LEU A 34 92.090 1.483 -8.089 1.00 0.00 H new ATOM 0 HD12 LEU A 34 91.594 2.363 -9.554 1.00 0.00 H new ATOM 0 HD13 LEU A 34 90.774 0.849 -9.104 1.00 0.00 H new ATOM 0 HD21 LEU A 34 93.298 -0.703 -8.290 1.00 0.00 H new ATOM 0 HD22 LEU A 34 91.988 -1.340 -9.312 1.00 0.00 H new ATOM 0 HD23 LEU A 34 93.668 -1.370 -9.898 1.00 0.00 H new ATOM 477 N GLY A 35 93.993 3.467 -11.688 1.00 0.00 N ATOM 478 CA GLY A 35 95.390 3.999 -11.726 1.00 0.00 C ATOM 479 C GLY A 35 95.381 5.528 -11.844 1.00 0.00 C ATOM 480 O GLY A 35 96.273 6.109 -12.433 1.00 0.00 O ATOM 0 H GLY A 35 93.302 4.091 -11.272 1.00 0.00 H new ATOM 0 HA2 GLY A 35 95.923 3.701 -10.823 1.00 0.00 H new ATOM 0 HA3 GLY A 35 95.927 3.567 -12.570 1.00 0.00 H new ATOM 484 N GLU A 36 94.401 6.185 -11.273 1.00 0.00 N ATOM 485 CA GLU A 36 94.350 7.671 -11.336 1.00 0.00 C ATOM 486 C GLU A 36 93.544 8.220 -10.160 1.00 0.00 C ATOM 487 O GLU A 36 93.967 9.145 -9.491 1.00 0.00 O ATOM 488 CB GLU A 36 93.654 7.990 -12.653 1.00 0.00 C ATOM 489 CG GLU A 36 94.700 8.119 -13.759 1.00 0.00 C ATOM 490 CD GLU A 36 94.058 8.708 -15.016 1.00 0.00 C ATOM 491 OE1 GLU A 36 93.418 7.961 -15.737 1.00 0.00 O ATOM 492 OE2 GLU A 36 94.219 9.897 -15.237 1.00 0.00 O1- ATOM 0 H GLU A 36 93.632 5.749 -10.764 1.00 0.00 H new ATOM 0 HA GLU A 36 95.342 8.120 -11.281 1.00 0.00 H new ATOM 0 HB2 GLU A 36 92.941 7.203 -12.901 1.00 0.00 H new ATOM 0 HB3 GLU A 36 93.087 8.917 -12.563 1.00 0.00 H new ATOM 0 HG2 GLU A 36 95.518 8.757 -13.425 1.00 0.00 H new ATOM 0 HG3 GLU A 36 95.128 7.142 -13.982 1.00 0.00 H new ATOM 499 N VAL A 37 92.394 7.648 -9.891 1.00 0.00 N ATOM 500 CA VAL A 37 91.572 8.135 -8.740 1.00 0.00 C ATOM 501 C VAL A 37 92.385 7.934 -7.436 1.00 0.00 C ATOM 502 O VAL A 37 92.700 8.896 -6.764 1.00 0.00 O ATOM 503 CB VAL A 37 90.267 7.303 -8.804 1.00 0.00 C ATOM 504 CG1 VAL A 37 89.593 7.203 -7.429 1.00 0.00 C ATOM 505 CG2 VAL A 37 89.299 7.976 -9.782 1.00 0.00 C ATOM 0 H VAL A 37 91.992 6.871 -10.415 1.00 0.00 H new ATOM 0 HA VAL A 37 91.324 9.196 -8.773 1.00 0.00 H new ATOM 0 HB VAL A 37 90.520 6.296 -9.134 1.00 0.00 H new ATOM 0 HG11 VAL A 37 88.681 6.612 -7.513 1.00 0.00 H new ATOM 0 HG12 VAL A 37 90.273 6.723 -6.725 1.00 0.00 H new ATOM 0 HG13 VAL A 37 89.346 8.203 -7.071 1.00 0.00 H new ATOM 0 HG21 VAL A 37 88.376 7.399 -9.835 1.00 0.00 H new ATOM 0 HG22 VAL A 37 89.076 8.986 -9.437 1.00 0.00 H new ATOM 0 HG23 VAL A 37 89.755 8.023 -10.771 1.00 0.00 H new ATOM 515 N PRO A 38 92.747 6.701 -7.143 1.00 0.00 N ATOM 516 CA PRO A 38 93.579 6.426 -5.943 1.00 0.00 C ATOM 517 C PRO A 38 95.030 6.828 -6.233 1.00 0.00 C ATOM 518 O PRO A 38 95.788 7.174 -5.349 1.00 0.00 O ATOM 519 CB PRO A 38 93.499 4.911 -5.788 1.00 0.00 C ATOM 520 CG PRO A 38 93.205 4.395 -7.156 1.00 0.00 C ATOM 521 CD PRO A 38 92.424 5.462 -7.873 1.00 0.00 C ATOM 0 HA PRO A 38 93.248 6.967 -5.056 1.00 0.00 H new ATOM 0 HB2 PRO A 38 94.435 4.504 -5.406 1.00 0.00 H new ATOM 0 HB3 PRO A 38 92.717 4.628 -5.083 1.00 0.00 H new ATOM 0 HG2 PRO A 38 94.129 4.170 -7.689 1.00 0.00 H new ATOM 0 HG3 PRO A 38 92.633 3.469 -7.104 1.00 0.00 H new ATOM 0 HD2 PRO A 38 92.714 5.531 -8.921 1.00 0.00 H new ATOM 0 HD3 PRO A 38 91.354 5.255 -7.851 1.00 0.00 H new ATOM 529 N GLY A 39 95.411 6.744 -7.480 1.00 0.00 N ATOM 530 CA GLY A 39 96.802 7.072 -7.892 1.00 0.00 C ATOM 531 C GLY A 39 97.326 5.894 -8.715 1.00 0.00 C ATOM 532 O GLY A 39 97.628 6.030 -9.882 1.00 0.00 O ATOM 0 H GLY A 39 94.801 6.455 -8.245 1.00 0.00 H new ATOM 0 HA2 GLY A 39 96.822 7.990 -8.480 1.00 0.00 H new ATOM 0 HA3 GLY A 39 97.432 7.240 -7.018 1.00 0.00 H new ATOM 536 N PHE A 40 97.379 4.731 -8.095 1.00 0.00 N ATOM 537 CA PHE A 40 97.829 3.448 -8.759 1.00 0.00 C ATOM 538 C PHE A 40 98.194 2.395 -7.682 1.00 0.00 C ATOM 539 O PHE A 40 97.715 1.280 -7.743 1.00 0.00 O ATOM 540 CB PHE A 40 99.043 3.757 -9.690 1.00 0.00 C ATOM 541 CG PHE A 40 99.757 2.480 -10.114 1.00 0.00 C ATOM 542 CD1 PHE A 40 99.021 1.334 -10.459 1.00 0.00 C ATOM 543 CD2 PHE A 40 101.156 2.451 -10.165 1.00 0.00 C ATOM 544 CE1 PHE A 40 99.685 0.167 -10.852 1.00 0.00 C ATOM 545 CE2 PHE A 40 101.819 1.281 -10.561 1.00 0.00 C ATOM 546 CZ PHE A 40 101.082 0.140 -10.904 1.00 0.00 C ATOM 0 H PHE A 40 97.118 4.612 -7.116 1.00 0.00 H new ATOM 0 HA PHE A 40 97.022 3.035 -9.364 1.00 0.00 H new ATOM 0 HB2 PHE A 40 98.698 4.294 -10.574 1.00 0.00 H new ATOM 0 HB3 PHE A 40 99.743 4.412 -9.172 1.00 0.00 H new ATOM 0 HD1 PHE A 40 97.942 1.354 -10.421 1.00 0.00 H new ATOM 0 HD2 PHE A 40 101.724 3.330 -9.899 1.00 0.00 H new ATOM 0 HE1 PHE A 40 99.118 -0.714 -11.115 1.00 0.00 H new ATOM 0 HE2 PHE A 40 102.898 1.259 -10.602 1.00 0.00 H new ATOM 0 HZ PHE A 40 101.593 -0.761 -11.209 1.00 0.00 H new ATOM 556 N PRO A 41 99.052 2.762 -6.745 1.00 0.00 N ATOM 557 CA PRO A 41 99.491 1.823 -5.694 1.00 0.00 C ATOM 558 C PRO A 41 98.769 2.092 -4.368 1.00 0.00 C ATOM 559 O PRO A 41 99.232 1.690 -3.316 1.00 0.00 O ATOM 560 CB PRO A 41 100.967 2.192 -5.551 1.00 0.00 C ATOM 561 CG PRO A 41 101.069 3.631 -6.007 1.00 0.00 C ATOM 562 CD PRO A 41 99.713 4.045 -6.539 1.00 0.00 C ATOM 0 HA PRO A 41 99.295 0.779 -5.938 1.00 0.00 H new ATOM 0 HB2 PRO A 41 101.301 2.083 -4.519 1.00 0.00 H new ATOM 0 HB3 PRO A 41 101.595 1.542 -6.160 1.00 0.00 H new ATOM 0 HG2 PRO A 41 101.367 4.274 -5.179 1.00 0.00 H new ATOM 0 HG3 PRO A 41 101.830 3.734 -6.780 1.00 0.00 H new ATOM 0 HD2 PRO A 41 99.172 4.671 -5.829 1.00 0.00 H new ATOM 0 HD3 PRO A 41 99.796 4.612 -7.466 1.00 0.00 H new ATOM 570 N ASN A 42 97.658 2.780 -4.402 1.00 0.00 N ATOM 571 CA ASN A 42 96.928 3.089 -3.139 1.00 0.00 C ATOM 572 C ASN A 42 95.446 2.760 -3.292 1.00 0.00 C ATOM 573 O ASN A 42 94.585 3.565 -2.990 1.00 0.00 O ATOM 574 CB ASN A 42 97.127 4.589 -2.933 1.00 0.00 C ATOM 575 CG ASN A 42 98.460 4.833 -2.225 1.00 0.00 C ATOM 576 OD1 ASN A 42 98.937 3.986 -1.496 1.00 0.00 O ATOM 577 ND2 ASN A 42 99.088 5.961 -2.410 1.00 0.00 N ATOM 0 H ASN A 42 97.225 3.141 -5.252 1.00 0.00 H new ATOM 0 HA ASN A 42 97.294 2.507 -2.293 1.00 0.00 H new ATOM 0 HB2 ASN A 42 97.113 5.104 -3.894 1.00 0.00 H new ATOM 0 HB3 ASN A 42 96.308 4.998 -2.341 1.00 0.00 H new ATOM 0 HD21 ASN A 42 99.979 6.131 -1.943 1.00 0.00 H new ATOM 0 HD22 ASN A 42 98.689 6.673 -3.022 1.00 0.00 H new ATOM 584 N VAL A 43 95.151 1.583 -3.764 1.00 0.00 N ATOM 585 CA VAL A 43 93.731 1.180 -3.948 1.00 0.00 C ATOM 586 C VAL A 43 93.465 -0.143 -3.224 1.00 0.00 C ATOM 587 O VAL A 43 94.285 -1.050 -3.225 1.00 0.00 O ATOM 588 CB VAL A 43 93.551 1.057 -5.469 1.00 0.00 C ATOM 589 CG1 VAL A 43 94.368 -0.124 -6.018 1.00 0.00 C ATOM 590 CG2 VAL A 43 92.066 0.862 -5.789 1.00 0.00 C ATOM 0 H VAL A 43 95.838 0.878 -4.032 1.00 0.00 H new ATOM 0 HA VAL A 43 93.024 1.896 -3.529 1.00 0.00 H new ATOM 0 HB VAL A 43 93.910 1.970 -5.944 1.00 0.00 H new ATOM 0 HG11 VAL A 43 94.227 -0.194 -7.097 1.00 0.00 H new ATOM 0 HG12 VAL A 43 95.424 0.032 -5.800 1.00 0.00 H new ATOM 0 HG13 VAL A 43 94.033 -1.048 -5.548 1.00 0.00 H new ATOM 0 HG21 VAL A 43 91.935 0.774 -6.868 1.00 0.00 H new ATOM 0 HG22 VAL A 43 91.706 -0.045 -5.305 1.00 0.00 H new ATOM 0 HG23 VAL A 43 91.499 1.718 -5.423 1.00 0.00 H new ATOM 600 N GLY A 44 92.326 -0.244 -2.590 1.00 0.00 N ATOM 601 CA GLY A 44 91.985 -1.486 -1.843 1.00 0.00 C ATOM 602 C GLY A 44 90.513 -1.449 -1.423 1.00 0.00 C ATOM 603 O GLY A 44 89.830 -0.461 -1.607 1.00 0.00 O ATOM 0 H GLY A 44 91.615 0.486 -2.559 1.00 0.00 H new ATOM 0 HA2 GLY A 44 92.173 -2.360 -2.467 1.00 0.00 H new ATOM 0 HA3 GLY A 44 92.622 -1.579 -0.963 1.00 0.00 H new ATOM 607 N GLY A 45 90.024 -2.524 -0.854 1.00 0.00 N ATOM 608 CA GLY A 45 88.597 -2.568 -0.417 1.00 0.00 C ATOM 609 C GLY A 45 88.471 -1.986 0.992 1.00 0.00 C ATOM 610 O GLY A 45 89.434 -1.928 1.736 1.00 0.00 O ATOM 0 H GLY A 45 90.556 -3.376 -0.674 1.00 0.00 H new ATOM 0 HA2 GLY A 45 87.976 -2.002 -1.112 1.00 0.00 H new ATOM 0 HA3 GLY A 45 88.234 -3.596 -0.430 1.00 0.00 H new ATOM 614 N ILE A 46 87.287 -1.565 1.365 1.00 0.00 N ATOM 615 CA ILE A 46 87.085 -0.994 2.730 1.00 0.00 C ATOM 616 C ILE A 46 85.645 -1.260 3.224 1.00 0.00 C ATOM 617 O ILE A 46 84.761 -1.518 2.434 1.00 0.00 O ATOM 618 CB ILE A 46 87.365 0.505 2.599 1.00 0.00 C ATOM 619 CG1 ILE A 46 86.545 1.110 1.450 1.00 0.00 C ATOM 620 CG2 ILE A 46 88.856 0.715 2.326 1.00 0.00 C ATOM 621 CD1 ILE A 46 85.910 2.426 1.906 1.00 0.00 C ATOM 0 H ILE A 46 86.451 -1.593 0.781 1.00 0.00 H new ATOM 0 HA ILE A 46 87.747 -1.453 3.464 1.00 0.00 H new ATOM 0 HB ILE A 46 87.081 1.000 3.528 1.00 0.00 H new ATOM 0 HG12 ILE A 46 87.186 1.285 0.586 1.00 0.00 H new ATOM 0 HG13 ILE A 46 85.770 0.411 1.136 1.00 0.00 H new ATOM 0 HG21 ILE A 46 89.062 1.781 2.232 1.00 0.00 H new ATOM 0 HG22 ILE A 46 89.438 0.305 3.151 1.00 0.00 H new ATOM 0 HG23 ILE A 46 89.131 0.209 1.401 1.00 0.00 H new ATOM 0 HD11 ILE A 46 85.329 2.852 1.088 1.00 0.00 H new ATOM 0 HD12 ILE A 46 85.255 2.238 2.757 1.00 0.00 H new ATOM 0 HD13 ILE A 46 86.693 3.126 2.198 1.00 0.00 H new ATOM 633 N PRO A 47 85.466 -1.221 4.528 1.00 0.00 N ATOM 634 CA PRO A 47 84.129 -1.507 5.142 1.00 0.00 C ATOM 635 C PRO A 47 83.061 -0.430 4.868 1.00 0.00 C ATOM 636 O PRO A 47 81.896 -0.655 5.143 1.00 0.00 O ATOM 637 CB PRO A 47 84.436 -1.545 6.639 1.00 0.00 C ATOM 638 CG PRO A 47 85.661 -0.712 6.802 1.00 0.00 C ATOM 639 CD PRO A 47 86.474 -0.907 5.558 1.00 0.00 C ATOM 0 HA PRO A 47 83.706 -2.422 4.727 1.00 0.00 H new ATOM 0 HB2 PRO A 47 83.606 -1.146 7.222 1.00 0.00 H new ATOM 0 HB3 PRO A 47 84.604 -2.566 6.982 1.00 0.00 H new ATOM 0 HG2 PRO A 47 85.402 0.338 6.936 1.00 0.00 H new ATOM 0 HG3 PRO A 47 86.223 -1.016 7.685 1.00 0.00 H new ATOM 0 HD2 PRO A 47 87.040 -0.010 5.305 1.00 0.00 H new ATOM 0 HD3 PRO A 47 87.195 -1.717 5.673 1.00 0.00 H new ATOM 647 N ASP A 48 83.419 0.736 4.380 1.00 0.00 N ATOM 648 CA ASP A 48 82.375 1.798 4.164 1.00 0.00 C ATOM 649 C ASP A 48 81.828 1.813 2.727 1.00 0.00 C ATOM 650 O ASP A 48 81.284 2.809 2.285 1.00 0.00 O ATOM 651 CB ASP A 48 83.068 3.120 4.492 1.00 0.00 C ATOM 652 CG ASP A 48 83.331 3.208 5.999 1.00 0.00 C ATOM 653 OD1 ASP A 48 82.585 2.604 6.753 1.00 0.00 O ATOM 654 OD2 ASP A 48 84.276 3.882 6.372 1.00 0.00 O1- ATOM 0 H ASP A 48 84.371 0.998 4.125 1.00 0.00 H new ATOM 0 HA ASP A 48 81.507 1.613 4.796 1.00 0.00 H new ATOM 0 HB2 ASP A 48 84.008 3.194 3.945 1.00 0.00 H new ATOM 0 HB3 ASP A 48 82.446 3.956 4.173 1.00 0.00 H new ATOM 659 N ILE A 49 81.937 0.727 2.006 1.00 0.00 N ATOM 660 CA ILE A 49 81.387 0.689 0.610 1.00 0.00 C ATOM 661 C ILE A 49 80.212 -0.296 0.576 1.00 0.00 C ATOM 662 O ILE A 49 80.315 -1.410 1.055 1.00 0.00 O ATOM 663 CB ILE A 49 82.545 0.206 -0.265 1.00 0.00 C ATOM 664 CG1 ILE A 49 83.748 1.145 -0.086 1.00 0.00 C ATOM 665 CG2 ILE A 49 82.123 0.182 -1.739 1.00 0.00 C ATOM 666 CD1 ILE A 49 83.399 2.574 -0.510 1.00 0.00 C ATOM 0 H ILE A 49 82.382 -0.136 2.319 1.00 0.00 H new ATOM 0 HA ILE A 49 81.017 1.654 0.263 1.00 0.00 H new ATOM 0 HB ILE A 49 82.821 -0.804 0.037 1.00 0.00 H new ATOM 0 HG12 ILE A 49 84.066 1.139 0.957 1.00 0.00 H new ATOM 0 HG13 ILE A 49 84.588 0.782 -0.678 1.00 0.00 H new ATOM 0 HG21 ILE A 49 82.957 -0.164 -2.351 1.00 0.00 H new ATOM 0 HG22 ILE A 49 81.277 -0.493 -1.864 1.00 0.00 H new ATOM 0 HG23 ILE A 49 81.835 1.186 -2.052 1.00 0.00 H new ATOM 0 HD11 ILE A 49 84.268 3.217 -0.373 1.00 0.00 H new ATOM 0 HD12 ILE A 49 83.105 2.581 -1.560 1.00 0.00 H new ATOM 0 HD13 ILE A 49 82.575 2.943 0.100 1.00 0.00 H new ATOM 678 N ALA A 50 79.087 0.118 0.046 1.00 0.00 N ATOM 679 CA ALA A 50 77.888 -0.778 0.019 1.00 0.00 C ATOM 680 C ALA A 50 77.916 -1.744 -1.161 1.00 0.00 C ATOM 681 O ALA A 50 77.661 -2.924 -0.990 1.00 0.00 O ATOM 682 CB ALA A 50 76.691 0.166 -0.093 1.00 0.00 C ATOM 0 H ALA A 50 78.947 1.039 -0.370 1.00 0.00 H new ATOM 0 HA ALA A 50 77.849 -1.404 0.910 1.00 0.00 H new ATOM 0 HB1 ALA A 50 75.770 -0.416 -0.119 1.00 0.00 H new ATOM 0 HB2 ALA A 50 76.674 0.835 0.767 1.00 0.00 H new ATOM 0 HB3 ALA A 50 76.775 0.753 -1.008 1.00 0.00 H new ATOM 688 N GLY A 51 78.206 -1.278 -2.347 1.00 0.00 N ATOM 689 CA GLY A 51 78.222 -2.217 -3.503 1.00 0.00 C ATOM 690 C GLY A 51 78.351 -1.462 -4.824 1.00 0.00 C ATOM 691 O GLY A 51 79.228 -0.642 -5.010 1.00 0.00 O ATOM 0 H GLY A 51 78.428 -0.306 -2.562 1.00 0.00 H new ATOM 0 HA2 GLY A 51 79.053 -2.915 -3.397 1.00 0.00 H new ATOM 0 HA3 GLY A 51 77.307 -2.809 -3.507 1.00 0.00 H new ATOM 695 N TRP A 52 77.485 -1.769 -5.750 1.00 0.00 N ATOM 696 CA TRP A 52 77.522 -1.125 -7.098 1.00 0.00 C ATOM 697 C TRP A 52 77.548 0.408 -7.019 1.00 0.00 C ATOM 698 O TRP A 52 77.962 1.061 -7.959 1.00 0.00 O ATOM 699 CB TRP A 52 76.239 -1.571 -7.803 1.00 0.00 C ATOM 700 CG TRP A 52 76.320 -1.134 -9.232 1.00 0.00 C ATOM 701 CD1 TRP A 52 77.091 -1.718 -10.177 1.00 0.00 C ATOM 702 CD2 TRP A 52 75.645 -0.019 -9.884 1.00 0.00 C ATOM 703 NE1 TRP A 52 76.937 -1.030 -11.368 1.00 0.00 N ATOM 704 CE2 TRP A 52 76.053 0.022 -11.239 1.00 0.00 C ATOM 705 CE3 TRP A 52 74.728 0.949 -9.437 1.00 0.00 C ATOM 706 CZ2 TRP A 52 75.569 0.991 -12.119 1.00 0.00 C ATOM 707 CZ3 TRP A 52 74.238 1.924 -10.321 1.00 0.00 C ATOM 708 CH2 TRP A 52 74.658 1.945 -11.659 1.00 0.00 C ATOM 0 H TRP A 52 76.738 -2.452 -5.628 1.00 0.00 H new ATOM 0 HA TRP A 52 78.429 -1.421 -7.626 1.00 0.00 H new ATOM 0 HB2 TRP A 52 76.127 -2.653 -7.741 1.00 0.00 H new ATOM 0 HB3 TRP A 52 75.366 -1.132 -7.319 1.00 0.00 H new ATOM 0 HD1 TRP A 52 77.724 -2.580 -10.027 1.00 0.00 H new ATOM 0 HE1 TRP A 52 77.418 -1.271 -12.235 1.00 0.00 H new ATOM 0 HE3 TRP A 52 74.399 0.943 -8.408 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 75.896 1.003 -13.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 73.533 2.662 -9.968 1.00 0.00 H new ATOM 0 HH2 TRP A 52 74.277 2.698 -12.333 1.00 0.00 H new ATOM 719 N ASP A 53 77.101 0.993 -5.934 1.00 0.00 N ATOM 720 CA ASP A 53 77.098 2.484 -5.849 1.00 0.00 C ATOM 721 C ASP A 53 77.285 2.950 -4.402 1.00 0.00 C ATOM 722 O ASP A 53 76.393 3.523 -3.804 1.00 0.00 O ATOM 723 CB ASP A 53 75.719 2.891 -6.374 1.00 0.00 C ATOM 724 CG ASP A 53 75.607 4.416 -6.400 1.00 0.00 C ATOM 725 OD1 ASP A 53 76.022 5.005 -7.384 1.00 0.00 O1- ATOM 726 OD2 ASP A 53 75.108 4.971 -5.434 1.00 0.00 O ATOM 0 H ASP A 53 76.742 0.507 -5.112 1.00 0.00 H new ATOM 0 HA ASP A 53 77.911 2.932 -6.419 1.00 0.00 H new ATOM 0 HB2 ASP A 53 75.567 2.488 -7.375 1.00 0.00 H new ATOM 0 HB3 ASP A 53 74.939 2.470 -5.740 1.00 0.00 H new ATOM 731 N SER A 54 78.430 2.688 -3.833 1.00 0.00 N ATOM 732 CA SER A 54 78.675 3.093 -2.413 1.00 0.00 C ATOM 733 C SER A 54 78.633 4.624 -2.265 1.00 0.00 C ATOM 734 O SER A 54 79.216 5.328 -3.064 1.00 0.00 O ATOM 735 CB SER A 54 80.072 2.570 -2.085 1.00 0.00 C ATOM 736 OG SER A 54 80.961 2.908 -3.143 1.00 0.00 O ATOM 0 H SER A 54 79.209 2.211 -4.288 1.00 0.00 H new ATOM 0 HA SER A 54 77.915 2.692 -1.743 1.00 0.00 H new ATOM 0 HB2 SER A 54 80.423 3.001 -1.148 1.00 0.00 H new ATOM 0 HB3 SER A 54 80.045 1.489 -1.948 1.00 0.00 H new ATOM 0 HG SER A 54 81.053 2.144 -3.749 1.00 0.00 H new ATOM 742 N PRO A 55 77.952 5.101 -1.239 1.00 0.00 N ATOM 743 CA PRO A 55 77.866 6.567 -1.013 1.00 0.00 C ATOM 744 C PRO A 55 79.206 7.117 -0.505 1.00 0.00 C ATOM 745 O PRO A 55 79.475 8.300 -0.603 1.00 0.00 O ATOM 746 CB PRO A 55 76.784 6.708 0.054 1.00 0.00 C ATOM 747 CG PRO A 55 76.780 5.401 0.778 1.00 0.00 C ATOM 748 CD PRO A 55 77.210 4.349 -0.211 1.00 0.00 C ATOM 0 HA PRO A 55 77.636 7.122 -1.922 1.00 0.00 H new ATOM 0 HB2 PRO A 55 77.003 7.533 0.731 1.00 0.00 H new ATOM 0 HB3 PRO A 55 75.812 6.913 -0.395 1.00 0.00 H new ATOM 0 HG2 PRO A 55 77.459 5.430 1.630 1.00 0.00 H new ATOM 0 HG3 PRO A 55 75.787 5.180 1.169 1.00 0.00 H new ATOM 0 HD2 PRO A 55 77.838 3.593 0.260 1.00 0.00 H new ATOM 0 HD3 PRO A 55 76.352 3.830 -0.639 1.00 0.00 H new ATOM 756 N SER A 56 80.042 6.267 0.044 1.00 0.00 N ATOM 757 CA SER A 56 81.360 6.731 0.568 1.00 0.00 C ATOM 758 C SER A 56 82.482 6.474 -0.450 1.00 0.00 C ATOM 759 O SER A 56 83.646 6.593 -0.127 1.00 0.00 O ATOM 760 CB SER A 56 81.589 5.904 1.832 1.00 0.00 C ATOM 761 OG SER A 56 80.430 5.972 2.652 1.00 0.00 O ATOM 0 H SER A 56 79.864 5.268 0.151 1.00 0.00 H new ATOM 0 HA SER A 56 81.363 7.803 0.764 1.00 0.00 H new ATOM 0 HB2 SER A 56 81.803 4.868 1.569 1.00 0.00 H new ATOM 0 HB3 SER A 56 82.456 6.280 2.375 1.00 0.00 H new ATOM 0 HG SER A 56 80.572 5.441 3.464 1.00 0.00 H new ATOM 767 N CYS A 57 82.148 6.128 -1.670 1.00 0.00 N ATOM 768 CA CYS A 57 83.210 5.874 -2.693 1.00 0.00 C ATOM 769 C CYS A 57 83.961 7.175 -3.003 1.00 0.00 C ATOM 770 O CYS A 57 83.383 8.246 -3.014 1.00 0.00 O ATOM 771 CB CYS A 57 82.464 5.373 -3.937 1.00 0.00 C ATOM 772 SG CYS A 57 83.343 3.965 -4.666 1.00 0.00 S ATOM 0 H CYS A 57 81.190 6.011 -2.000 1.00 0.00 H new ATOM 0 HA CYS A 57 83.949 5.150 -2.349 1.00 0.00 H new ATOM 0 HB2 CYS A 57 81.450 5.079 -3.668 1.00 0.00 H new ATOM 0 HB3 CYS A 57 82.379 6.177 -4.668 1.00 0.00 H new ATOM 777 N GLY A 58 85.240 7.083 -3.267 1.00 0.00 N ATOM 778 CA GLY A 58 86.033 8.307 -3.592 1.00 0.00 C ATOM 779 C GLY A 58 86.471 9.006 -2.305 1.00 0.00 C ATOM 780 O GLY A 58 86.651 10.209 -2.274 1.00 0.00 O ATOM 0 H GLY A 58 85.770 6.211 -3.271 1.00 0.00 H new ATOM 0 HA2 GLY A 58 86.907 8.037 -4.184 1.00 0.00 H new ATOM 0 HA3 GLY A 58 85.435 8.987 -4.199 1.00 0.00 H new ATOM 784 N THR A 59 86.653 8.260 -1.247 1.00 0.00 N ATOM 785 CA THR A 59 87.092 8.872 0.042 1.00 0.00 C ATOM 786 C THR A 59 88.586 8.641 0.264 1.00 0.00 C ATOM 787 O THR A 59 89.148 7.643 -0.138 1.00 0.00 O ATOM 788 CB THR A 59 86.283 8.181 1.142 1.00 0.00 C ATOM 789 OG1 THR A 59 86.302 6.770 0.937 1.00 0.00 O ATOM 790 CG2 THR A 59 84.843 8.704 1.134 1.00 0.00 C ATOM 0 H THR A 59 86.516 7.250 -1.220 1.00 0.00 H new ATOM 0 HA THR A 59 86.927 9.949 0.041 1.00 0.00 H new ATOM 0 HB THR A 59 86.728 8.401 2.112 1.00 0.00 H new ATOM 0 HG1 THR A 59 85.444 6.483 0.560 1.00 0.00 H new ATOM 0 HG21 THR A 59 84.272 8.209 1.919 1.00 0.00 H new ATOM 0 HG22 THR A 59 84.846 9.780 1.311 1.00 0.00 H new ATOM 0 HG23 THR A 59 84.386 8.496 0.167 1.00 0.00 H new ATOM 798 N CYS A 60 89.217 9.581 0.908 1.00 0.00 N ATOM 799 CA CYS A 60 90.679 9.483 1.189 1.00 0.00 C ATOM 800 C CYS A 60 90.896 8.963 2.612 1.00 0.00 C ATOM 801 O CYS A 60 90.356 9.499 3.561 1.00 0.00 O ATOM 802 CB CYS A 60 91.178 10.924 1.056 1.00 0.00 C ATOM 803 SG CYS A 60 92.963 11.003 1.357 1.00 0.00 S ATOM 0 H CYS A 60 88.774 10.430 1.259 1.00 0.00 H new ATOM 0 HA CYS A 60 91.203 8.801 0.520 1.00 0.00 H new ATOM 0 HB2 CYS A 60 90.954 11.303 0.059 1.00 0.00 H new ATOM 0 HB3 CYS A 60 90.654 11.564 1.766 1.00 0.00 H new ATOM 808 N TRP A 61 91.675 7.922 2.770 1.00 0.00 N ATOM 809 CA TRP A 61 91.917 7.370 4.137 1.00 0.00 C ATOM 810 C TRP A 61 93.416 7.162 4.380 1.00 0.00 C ATOM 811 O TRP A 61 94.163 6.853 3.470 1.00 0.00 O ATOM 812 CB TRP A 61 91.195 6.024 4.148 1.00 0.00 C ATOM 813 CG TRP A 61 89.722 6.227 3.984 1.00 0.00 C ATOM 814 CD1 TRP A 61 89.025 5.961 2.855 1.00 0.00 C ATOM 815 CD2 TRP A 61 88.751 6.719 4.955 1.00 0.00 C ATOM 816 NE1 TRP A 61 87.690 6.251 3.072 1.00 0.00 N ATOM 817 CE2 TRP A 61 87.471 6.721 4.352 1.00 0.00 C ATOM 818 CE3 TRP A 61 88.853 7.157 6.287 1.00 0.00 C ATOM 819 CZ2 TRP A 61 86.335 7.138 5.046 1.00 0.00 C ATOM 820 CZ3 TRP A 61 87.714 7.575 6.987 1.00 0.00 C ATOM 821 CH2 TRP A 61 86.457 7.565 6.370 1.00 0.00 C ATOM 0 H TRP A 61 92.152 7.432 2.013 1.00 0.00 H new ATOM 0 HA TRP A 61 91.560 8.043 4.916 1.00 0.00 H new ATOM 0 HB2 TRP A 61 91.574 5.393 3.344 1.00 0.00 H new ATOM 0 HB3 TRP A 61 91.396 5.503 5.084 1.00 0.00 H new ATOM 0 HD1 TRP A 61 89.443 5.583 1.934 1.00 0.00 H new ATOM 0 HE1 TRP A 61 86.957 6.132 2.372 1.00 0.00 H new ATOM 0 HE3 TRP A 61 89.817 7.171 6.774 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 85.369 7.131 4.563 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 87.806 7.908 8.010 1.00 0.00 H new ATOM 0 HH2 TRP A 61 85.583 7.887 6.917 1.00 0.00 H new ATOM 832 N LYS A 62 93.857 7.320 5.602 1.00 0.00 N ATOM 833 CA LYS A 62 95.304 7.124 5.923 1.00 0.00 C ATOM 834 C LYS A 62 95.475 5.842 6.739 1.00 0.00 C ATOM 835 O LYS A 62 94.775 5.623 7.713 1.00 0.00 O ATOM 836 CB LYS A 62 95.686 8.344 6.763 1.00 0.00 C ATOM 837 CG LYS A 62 97.168 8.272 7.138 1.00 0.00 C ATOM 838 CD LYS A 62 97.534 9.480 8.001 1.00 0.00 C ATOM 839 CE LYS A 62 99.016 9.411 8.375 1.00 0.00 C ATOM 840 NZ LYS A 62 99.730 10.004 7.210 1.00 0.00 N1+ ATOM 0 H LYS A 62 93.273 7.578 6.397 1.00 0.00 H new ATOM 0 HA LYS A 62 95.926 7.031 5.033 1.00 0.00 H new ATOM 0 HB2 LYS A 62 95.487 9.258 6.204 1.00 0.00 H new ATOM 0 HB3 LYS A 62 95.075 8.382 7.665 1.00 0.00 H new ATOM 0 HG2 LYS A 62 97.373 7.349 7.680 1.00 0.00 H new ATOM 0 HG3 LYS A 62 97.782 8.256 6.237 1.00 0.00 H new ATOM 0 HD2 LYS A 62 97.328 10.403 7.459 1.00 0.00 H new ATOM 0 HD3 LYS A 62 96.921 9.495 8.902 1.00 0.00 H new ATOM 0 HE2 LYS A 62 99.220 9.968 9.289 1.00 0.00 H new ATOM 0 HE3 LYS A 62 99.332 8.383 8.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 100.538 9.401 6.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 99.079 10.072 6.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 100.073 10.954 7.460 1.00 0.00 H new ATOM 854 N VAL A 63 96.393 4.992 6.349 1.00 0.00 N ATOM 855 CA VAL A 63 96.605 3.718 7.103 1.00 0.00 C ATOM 856 C VAL A 63 97.954 3.749 7.831 1.00 0.00 C ATOM 857 O VAL A 63 98.991 3.939 7.229 1.00 0.00 O ATOM 858 CB VAL A 63 96.575 2.611 6.043 1.00 0.00 C ATOM 859 CG1 VAL A 63 96.775 1.249 6.714 1.00 0.00 C ATOM 860 CG2 VAL A 63 95.224 2.626 5.321 1.00 0.00 C ATOM 0 H VAL A 63 97.003 5.125 5.543 1.00 0.00 H new ATOM 0 HA VAL A 63 95.844 3.559 7.867 1.00 0.00 H new ATOM 0 HB VAL A 63 97.375 2.783 5.323 1.00 0.00 H new ATOM 0 HG11 VAL A 63 96.753 0.464 5.958 1.00 0.00 H new ATOM 0 HG12 VAL A 63 97.737 1.233 7.226 1.00 0.00 H new ATOM 0 HG13 VAL A 63 95.977 1.079 7.437 1.00 0.00 H new ATOM 0 HG21 VAL A 63 95.205 1.838 4.568 1.00 0.00 H new ATOM 0 HG22 VAL A 63 94.424 2.458 6.042 1.00 0.00 H new ATOM 0 HG23 VAL A 63 95.080 3.593 4.838 1.00 0.00 H new ATOM 870 N THR A 64 97.934 3.581 9.126 1.00 0.00 N ATOM 871 CA THR A 64 99.189 3.613 9.939 1.00 0.00 C ATOM 872 C THR A 64 99.379 2.293 10.704 1.00 0.00 C ATOM 873 O THR A 64 98.436 1.731 11.238 1.00 0.00 O ATOM 874 CB THR A 64 98.966 4.770 10.915 1.00 0.00 C ATOM 875 OG1 THR A 64 98.793 5.974 10.179 1.00 0.00 O ATOM 876 CG2 THR A 64 100.179 4.910 11.842 1.00 0.00 C ATOM 0 H THR A 64 97.085 3.420 9.667 1.00 0.00 H new ATOM 0 HA THR A 64 100.081 3.741 9.326 1.00 0.00 H new ATOM 0 HB THR A 64 98.078 4.572 11.515 1.00 0.00 H new ATOM 0 HG1 THR A 64 98.648 6.719 10.799 1.00 0.00 H new ATOM 0 HG21 THR A 64 100.014 5.735 12.535 1.00 0.00 H new ATOM 0 HG22 THR A 64 100.316 3.986 12.404 1.00 0.00 H new ATOM 0 HG23 THR A 64 101.071 5.108 11.247 1.00 0.00 H new ATOM 884 N ILE A 65 100.593 1.796 10.751 1.00 0.00 N ATOM 885 CA ILE A 65 100.858 0.505 11.464 1.00 0.00 C ATOM 886 C ILE A 65 101.745 0.738 12.709 1.00 0.00 C ATOM 887 O ILE A 65 102.323 1.795 12.859 1.00 0.00 O ATOM 888 CB ILE A 65 101.567 -0.377 10.423 1.00 0.00 C ATOM 889 CG1 ILE A 65 102.861 0.304 9.958 1.00 0.00 C ATOM 890 CG2 ILE A 65 100.648 -0.583 9.216 1.00 0.00 C ATOM 891 CD1 ILE A 65 103.841 -0.759 9.458 1.00 0.00 C ATOM 0 H ILE A 65 101.413 2.229 10.326 1.00 0.00 H new ATOM 0 HA ILE A 65 99.945 0.038 11.834 1.00 0.00 H new ATOM 0 HB ILE A 65 101.805 -1.340 10.875 1.00 0.00 H new ATOM 0 HG12 ILE A 65 102.644 1.018 9.163 1.00 0.00 H new ATOM 0 HG13 ILE A 65 103.305 0.867 10.779 1.00 0.00 H new ATOM 0 HG21 ILE A 65 101.151 -1.208 8.478 1.00 0.00 H new ATOM 0 HG22 ILE A 65 99.728 -1.071 9.538 1.00 0.00 H new ATOM 0 HG23 ILE A 65 100.410 0.383 8.771 1.00 0.00 H new ATOM 0 HD11 ILE A 65 104.761 -0.278 9.127 1.00 0.00 H new ATOM 0 HD12 ILE A 65 104.066 -1.455 10.266 1.00 0.00 H new ATOM 0 HD13 ILE A 65 103.395 -1.302 8.625 1.00 0.00 H new ATOM 903 N PRO A 66 101.805 -0.259 13.580 1.00 0.00 N ATOM 904 CA PRO A 66 102.609 -0.147 14.839 1.00 0.00 C ATOM 905 C PRO A 66 104.108 0.042 14.573 1.00 0.00 C ATOM 906 O PRO A 66 104.819 0.584 15.400 1.00 0.00 O ATOM 907 CB PRO A 66 102.354 -1.487 15.539 1.00 0.00 C ATOM 908 CG PRO A 66 101.959 -2.413 14.443 1.00 0.00 C ATOM 909 CD PRO A 66 101.152 -1.580 13.492 1.00 0.00 C ATOM 0 HA PRO A 66 102.320 0.724 15.427 1.00 0.00 H new ATOM 0 HB2 PRO A 66 103.247 -1.841 16.055 1.00 0.00 H new ATOM 0 HB3 PRO A 66 101.567 -1.400 16.288 1.00 0.00 H new ATOM 0 HG2 PRO A 66 102.835 -2.835 13.950 1.00 0.00 H new ATOM 0 HG3 PRO A 66 101.375 -3.249 14.826 1.00 0.00 H new ATOM 0 HD2 PRO A 66 101.182 -1.980 12.478 1.00 0.00 H new ATOM 0 HD3 PRO A 66 100.103 -1.533 13.785 1.00 0.00 H new ATOM 917 N ASN A 67 104.596 -0.393 13.440 1.00 0.00 N ATOM 918 CA ASN A 67 106.055 -0.231 13.137 1.00 0.00 C ATOM 919 C ASN A 67 106.402 1.256 13.012 1.00 0.00 C ATOM 920 O ASN A 67 107.431 1.710 13.474 1.00 0.00 O ATOM 921 CB ASN A 67 106.275 -0.947 11.804 1.00 0.00 C ATOM 922 CG ASN A 67 107.775 -1.050 11.513 1.00 0.00 C ATOM 923 OD1 ASN A 67 108.590 -0.937 12.407 1.00 0.00 O ATOM 924 ND2 ASN A 67 108.176 -1.262 10.289 1.00 0.00 N ATOM 0 H ASN A 67 104.051 -0.853 12.711 1.00 0.00 H new ATOM 0 HA ASN A 67 106.686 -0.644 13.924 1.00 0.00 H new ATOM 0 HB2 ASN A 67 105.832 -1.943 11.838 1.00 0.00 H new ATOM 0 HB3 ASN A 67 105.776 -0.403 11.002 1.00 0.00 H new ATOM 0 HD21 ASN A 67 109.173 -1.333 10.084 1.00 0.00 H new ATOM 0 HD22 ASN A 67 107.493 -1.357 9.538 1.00 0.00 H new ATOM 931 N GLY A 68 105.530 2.005 12.398 1.00 0.00 N ATOM 932 CA GLY A 68 105.771 3.469 12.240 1.00 0.00 C ATOM 933 C GLY A 68 105.854 3.828 10.759 1.00 0.00 C ATOM 934 O GLY A 68 106.850 4.347 10.290 1.00 0.00 O ATOM 0 H GLY A 68 104.656 1.666 11.996 1.00 0.00 H new ATOM 0 HA2 GLY A 68 104.967 4.031 12.714 1.00 0.00 H new ATOM 0 HA3 GLY A 68 106.696 3.750 12.743 1.00 0.00 H new ATOM 938 N ASN A 69 104.805 3.574 10.027 1.00 0.00 N ATOM 939 CA ASN A 69 104.790 3.910 8.576 1.00 0.00 C ATOM 940 C ASN A 69 103.342 3.971 8.098 1.00 0.00 C ATOM 941 O ASN A 69 102.481 3.317 8.660 1.00 0.00 O ATOM 942 CB ASN A 69 105.544 2.774 7.888 1.00 0.00 C ATOM 943 CG ASN A 69 105.819 3.152 6.432 1.00 0.00 C ATOM 944 OD1 ASN A 69 105.903 4.318 6.101 1.00 0.00 O ATOM 945 ND2 ASN A 69 105.962 2.209 5.543 1.00 0.00 N ATOM 0 H ASN A 69 103.949 3.143 10.376 1.00 0.00 H new ATOM 0 HA ASN A 69 105.251 4.873 8.358 1.00 0.00 H new ATOM 0 HB2 ASN A 69 106.482 2.579 8.408 1.00 0.00 H new ATOM 0 HB3 ASN A 69 104.958 1.856 7.932 1.00 0.00 H new ATOM 0 HD21 ASN A 69 106.145 2.450 4.569 1.00 0.00 H new ATOM 0 HD22 ASN A 69 105.891 1.230 5.822 1.00 0.00 H new ATOM 952 N SER A 70 103.053 4.748 7.085 1.00 0.00 N ATOM 953 CA SER A 70 101.641 4.828 6.614 1.00 0.00 C ATOM 954 C SER A 70 101.541 5.208 5.136 1.00 0.00 C ATOM 955 O SER A 70 102.437 5.786 4.553 1.00 0.00 O ATOM 956 CB SER A 70 100.996 5.900 7.489 1.00 0.00 C ATOM 957 OG SER A 70 101.611 7.155 7.227 1.00 0.00 O ATOM 0 H SER A 70 103.723 5.321 6.572 1.00 0.00 H new ATOM 0 HA SER A 70 101.146 3.861 6.697 1.00 0.00 H new ATOM 0 HB2 SER A 70 99.927 5.957 7.285 1.00 0.00 H new ATOM 0 HB3 SER A 70 101.107 5.641 8.542 1.00 0.00 H new ATOM 0 HG SER A 70 101.443 7.764 7.976 1.00 0.00 H new ATOM 963 N ILE A 71 100.421 4.889 4.548 1.00 0.00 N ATOM 964 CA ILE A 71 100.150 5.203 3.121 1.00 0.00 C ATOM 965 C ILE A 71 98.697 5.652 3.013 1.00 0.00 C ATOM 966 O ILE A 71 97.916 5.420 3.918 1.00 0.00 O ATOM 967 CB ILE A 71 100.367 3.890 2.350 1.00 0.00 C ATOM 968 CG1 ILE A 71 99.466 2.785 2.909 1.00 0.00 C ATOM 969 CG2 ILE A 71 101.829 3.459 2.467 1.00 0.00 C ATOM 970 CD1 ILE A 71 99.418 1.623 1.915 1.00 0.00 C ATOM 0 H ILE A 71 99.656 4.406 5.019 1.00 0.00 H new ATOM 0 HA ILE A 71 100.793 5.989 2.725 1.00 0.00 H new ATOM 0 HB ILE A 71 100.115 4.056 1.303 1.00 0.00 H new ATOM 0 HG12 ILE A 71 99.847 2.441 3.871 1.00 0.00 H new ATOM 0 HG13 ILE A 71 98.462 3.172 3.083 1.00 0.00 H new ATOM 0 HG21 ILE A 71 101.979 2.528 1.920 1.00 0.00 H new ATOM 0 HG22 ILE A 71 102.471 4.234 2.048 1.00 0.00 H new ATOM 0 HG23 ILE A 71 102.081 3.307 3.517 1.00 0.00 H new ATOM 0 HD11 ILE A 71 98.778 0.834 2.309 1.00 0.00 H new ATOM 0 HD12 ILE A 71 99.018 1.974 0.964 1.00 0.00 H new ATOM 0 HD13 ILE A 71 100.424 1.232 1.763 1.00 0.00 H new ATOM 982 N PHE A 72 98.316 6.288 1.936 1.00 0.00 N ATOM 983 CA PHE A 72 96.897 6.732 1.827 1.00 0.00 C ATOM 984 C PHE A 72 96.134 5.812 0.873 1.00 0.00 C ATOM 985 O PHE A 72 96.570 5.550 -0.228 1.00 0.00 O ATOM 986 CB PHE A 72 96.958 8.155 1.268 1.00 0.00 C ATOM 987 CG PHE A 72 97.722 9.050 2.215 1.00 0.00 C ATOM 988 CD1 PHE A 72 97.066 9.644 3.299 1.00 0.00 C ATOM 989 CD2 PHE A 72 99.084 9.296 2.002 1.00 0.00 C ATOM 990 CE1 PHE A 72 97.771 10.482 4.172 1.00 0.00 C ATOM 991 CE2 PHE A 72 99.790 10.133 2.875 1.00 0.00 C ATOM 992 CZ PHE A 72 99.133 10.726 3.960 1.00 0.00 C ATOM 0 H PHE A 72 98.914 6.515 1.141 1.00 0.00 H new ATOM 0 HA PHE A 72 96.381 6.700 2.787 1.00 0.00 H new ATOM 0 HB2 PHE A 72 97.440 8.150 0.291 1.00 0.00 H new ATOM 0 HB3 PHE A 72 95.949 8.541 1.124 1.00 0.00 H new ATOM 0 HD1 PHE A 72 96.015 9.456 3.463 1.00 0.00 H new ATOM 0 HD2 PHE A 72 99.590 8.840 1.164 1.00 0.00 H new ATOM 0 HE1 PHE A 72 97.264 10.940 5.009 1.00 0.00 H new ATOM 0 HE2 PHE A 72 100.841 10.321 2.711 1.00 0.00 H new ATOM 0 HZ PHE A 72 99.677 11.372 4.633 1.00 0.00 H new ATOM 1002 N ILE A 73 95.004 5.311 1.303 1.00 0.00 N ATOM 1003 CA ILE A 73 94.204 4.392 0.436 1.00 0.00 C ATOM 1004 C ILE A 73 92.860 5.041 0.106 1.00 0.00 C ATOM 1005 O ILE A 73 92.169 5.518 0.988 1.00 0.00 O ATOM 1006 CB ILE A 73 94.011 3.123 1.275 1.00 0.00 C ATOM 1007 CG1 ILE A 73 95.381 2.515 1.626 1.00 0.00 C ATOM 1008 CG2 ILE A 73 93.179 2.100 0.493 1.00 0.00 C ATOM 1009 CD1 ILE A 73 96.160 2.166 0.349 1.00 0.00 C ATOM 0 H ILE A 73 94.599 5.499 2.220 1.00 0.00 H new ATOM 0 HA ILE A 73 94.694 4.172 -0.513 1.00 0.00 H new ATOM 0 HB ILE A 73 93.486 3.383 2.194 1.00 0.00 H new ATOM 0 HG12 ILE A 73 95.955 3.220 2.227 1.00 0.00 H new ATOM 0 HG13 ILE A 73 95.243 1.619 2.231 1.00 0.00 H new ATOM 0 HG21 ILE A 73 93.047 1.202 1.096 1.00 0.00 H new ATOM 0 HG22 ILE A 73 92.204 2.527 0.259 1.00 0.00 H new ATOM 0 HG23 ILE A 73 93.694 1.843 -0.433 1.00 0.00 H new ATOM 0 HD11 ILE A 73 97.126 1.738 0.618 1.00 0.00 H new ATOM 0 HD12 ILE A 73 95.593 1.443 -0.237 1.00 0.00 H new ATOM 0 HD13 ILE A 73 96.315 3.069 -0.241 1.00 0.00 H new ATOM 1021 N ARG A 74 92.483 5.077 -1.149 1.00 0.00 N ATOM 1022 CA ARG A 74 91.187 5.712 -1.512 1.00 0.00 C ATOM 1023 C ARG A 74 90.131 4.622 -1.725 1.00 0.00 C ATOM 1024 O ARG A 74 90.391 3.594 -2.321 1.00 0.00 O ATOM 1025 CB ARG A 74 91.487 6.497 -2.790 1.00 0.00 C ATOM 1026 CG ARG A 74 90.320 7.417 -3.139 1.00 0.00 C ATOM 1027 CD ARG A 74 90.689 8.237 -4.380 1.00 0.00 C ATOM 1028 NE ARG A 74 89.607 9.253 -4.519 1.00 0.00 N ATOM 1029 CZ ARG A 74 89.717 10.204 -5.407 1.00 0.00 C ATOM 1030 NH1 ARG A 74 90.660 11.100 -5.295 1.00 0.00 N1+ ATOM 1031 NH2 ARG A 74 88.881 10.261 -6.408 1.00 0.00 N ATOM 0 H ARG A 74 93.016 4.695 -1.930 1.00 0.00 H new ATOM 0 HA ARG A 74 90.788 6.371 -0.741 1.00 0.00 H new ATOM 0 HB2 ARG A 74 92.395 7.086 -2.658 1.00 0.00 H new ATOM 0 HB3 ARG A 74 91.672 5.807 -3.613 1.00 0.00 H new ATOM 0 HG2 ARG A 74 89.421 6.830 -3.328 1.00 0.00 H new ATOM 0 HG3 ARG A 74 90.098 8.079 -2.302 1.00 0.00 H new ATOM 0 HD2 ARG A 74 91.662 8.713 -4.261 1.00 0.00 H new ATOM 0 HD3 ARG A 74 90.750 7.604 -5.265 1.00 0.00 H new ATOM 0 HE ARG A 74 88.782 9.205 -3.921 1.00 0.00 H new ATOM 0 HH11 ARG A 74 91.313 11.058 -4.513 1.00 0.00 H new ATOM 0 HH12 ARG A 74 90.744 11.842 -5.990 1.00 0.00 H new ATOM 0 HH21 ARG A 74 88.142 9.563 -6.496 1.00 0.00 H new ATOM 0 HH22 ARG A 74 88.966 11.004 -7.102 1.00 0.00 H new ATOM 1045 N GLY A 75 88.950 4.834 -1.203 1.00 0.00 N ATOM 1046 CA GLY A 75 87.865 3.813 -1.321 1.00 0.00 C ATOM 1047 C GLY A 75 87.589 3.473 -2.785 1.00 0.00 C ATOM 1048 O GLY A 75 87.678 4.309 -3.663 1.00 0.00 O ATOM 0 H GLY A 75 88.688 5.679 -0.695 1.00 0.00 H new ATOM 0 HA2 GLY A 75 88.151 2.910 -0.782 1.00 0.00 H new ATOM 0 HA3 GLY A 75 86.955 4.189 -0.854 1.00 0.00 H new ATOM 1052 N VAL A 76 87.229 2.243 -3.039 1.00 0.00 N ATOM 1053 CA VAL A 76 86.912 1.792 -4.425 1.00 0.00 C ATOM 1054 C VAL A 76 86.026 0.530 -4.365 1.00 0.00 C ATOM 1055 O VAL A 76 85.064 0.407 -5.096 1.00 0.00 O ATOM 1056 CB VAL A 76 88.276 1.518 -5.093 1.00 0.00 C ATOM 1057 CG1 VAL A 76 88.884 0.199 -4.597 1.00 0.00 C ATOM 1058 CG2 VAL A 76 88.081 1.442 -6.609 1.00 0.00 C ATOM 0 H VAL A 76 87.140 1.517 -2.328 1.00 0.00 H new ATOM 0 HA VAL A 76 86.354 2.533 -4.997 1.00 0.00 H new ATOM 0 HB VAL A 76 88.957 2.328 -4.833 1.00 0.00 H new ATOM 0 HG11 VAL A 76 89.844 0.034 -5.086 1.00 0.00 H new ATOM 0 HG12 VAL A 76 89.030 0.249 -3.518 1.00 0.00 H new ATOM 0 HG13 VAL A 76 88.210 -0.624 -4.834 1.00 0.00 H new ATOM 0 HG21 VAL A 76 89.040 1.249 -7.090 1.00 0.00 H new ATOM 0 HG22 VAL A 76 87.387 0.636 -6.847 1.00 0.00 H new ATOM 0 HG23 VAL A 76 87.677 2.387 -6.972 1.00 0.00 H new ATOM 1068 N ASP A 77 86.336 -0.396 -3.485 1.00 0.00 N ATOM 1069 CA ASP A 77 85.517 -1.640 -3.349 1.00 0.00 C ATOM 1070 C ASP A 77 85.172 -1.867 -1.874 1.00 0.00 C ATOM 1071 O ASP A 77 85.700 -1.206 -1.003 1.00 0.00 O ATOM 1072 CB ASP A 77 86.402 -2.773 -3.860 1.00 0.00 C ATOM 1073 CG ASP A 77 85.566 -4.051 -3.978 1.00 0.00 C ATOM 1074 OD1 ASP A 77 85.502 -4.785 -3.005 1.00 0.00 O1- ATOM 1075 OD2 ASP A 77 85.000 -4.274 -5.036 1.00 0.00 O ATOM 0 H ASP A 77 87.132 -0.339 -2.849 1.00 0.00 H new ATOM 0 HA ASP A 77 84.582 -1.579 -3.906 1.00 0.00 H new ATOM 0 HB2 ASP A 77 86.826 -2.511 -4.829 1.00 0.00 H new ATOM 0 HB3 ASP A 77 87.238 -2.933 -3.179 1.00 0.00 H new ATOM 1080 N SER A 78 84.278 -2.783 -1.592 1.00 0.00 N ATOM 1081 CA SER A 78 83.885 -3.043 -0.171 1.00 0.00 C ATOM 1082 C SER A 78 84.643 -4.238 0.415 1.00 0.00 C ATOM 1083 O SER A 78 85.178 -5.064 -0.300 1.00 0.00 O ATOM 1084 CB SER A 78 82.387 -3.331 -0.221 1.00 0.00 C ATOM 1085 OG SER A 78 82.145 -4.403 -1.124 1.00 0.00 O ATOM 0 H SER A 78 83.803 -3.362 -2.284 1.00 0.00 H new ATOM 0 HA SER A 78 84.124 -2.194 0.469 1.00 0.00 H new ATOM 0 HB2 SER A 78 82.021 -3.588 0.773 1.00 0.00 H new ATOM 0 HB3 SER A 78 81.844 -2.441 -0.541 1.00 0.00 H new ATOM 0 HG SER A 78 81.184 -4.592 -1.157 1.00 0.00 H new ATOM 1091 N GLY A 79 84.686 -4.323 1.722 1.00 0.00 N ATOM 1092 CA GLY A 79 85.399 -5.448 2.390 1.00 0.00 C ATOM 1093 C GLY A 79 84.493 -6.067 3.459 1.00 0.00 C ATOM 1094 O GLY A 79 83.680 -5.395 4.064 1.00 0.00 O ATOM 0 H GLY A 79 84.253 -3.653 2.358 1.00 0.00 H new ATOM 0 HA2 GLY A 79 85.679 -6.202 1.655 1.00 0.00 H new ATOM 0 HA3 GLY A 79 86.322 -5.088 2.845 1.00 0.00 H new ATOM 1098 N ARG A 80 84.643 -7.342 3.699 1.00 0.00 N ATOM 1099 CA ARG A 80 83.812 -8.028 4.740 1.00 0.00 C ATOM 1100 C ARG A 80 84.069 -7.428 6.130 1.00 0.00 C ATOM 1101 O ARG A 80 83.177 -7.368 6.958 1.00 0.00 O ATOM 1102 CB ARG A 80 84.247 -9.493 4.703 1.00 0.00 C ATOM 1103 CG ARG A 80 83.761 -10.134 3.401 1.00 0.00 C ATOM 1104 CD ARG A 80 84.187 -11.604 3.361 1.00 0.00 C ATOM 1105 NE ARG A 80 83.696 -12.110 2.049 1.00 0.00 N ATOM 1106 CZ ARG A 80 84.508 -12.749 1.251 1.00 0.00 C ATOM 1107 NH1 ARG A 80 85.281 -12.084 0.439 1.00 0.00 N1+ ATOM 1108 NH2 ARG A 80 84.546 -14.054 1.268 1.00 0.00 N ATOM 0 H ARG A 80 85.310 -7.945 3.217 1.00 0.00 H new ATOM 0 HA ARG A 80 82.746 -7.912 4.543 1.00 0.00 H new ATOM 0 HB2 ARG A 80 85.332 -9.564 4.773 1.00 0.00 H new ATOM 0 HB3 ARG A 80 83.837 -10.028 5.560 1.00 0.00 H new ATOM 0 HG2 ARG A 80 82.676 -10.057 3.329 1.00 0.00 H new ATOM 0 HG3 ARG A 80 84.176 -9.602 2.545 1.00 0.00 H new ATOM 0 HD2 ARG A 80 85.269 -11.704 3.443 1.00 0.00 H new ATOM 0 HD3 ARG A 80 83.752 -12.164 4.188 1.00 0.00 H new ATOM 0 HE ARG A 80 82.726 -11.957 1.774 1.00 0.00 H new ATOM 0 HH11 ARG A 80 85.251 -11.064 0.427 1.00 0.00 H new ATOM 0 HH12 ARG A 80 85.915 -12.583 -0.184 1.00 0.00 H new ATOM 0 HH21 ARG A 80 83.942 -14.574 1.904 1.00 0.00 H new ATOM 0 HH22 ARG A 80 85.180 -14.554 0.645 1.00 0.00 H new ATOM 1122 N GLY A 81 85.275 -6.987 6.392 1.00 0.00 N ATOM 1123 CA GLY A 81 85.578 -6.395 7.735 1.00 0.00 C ATOM 1124 C GLY A 81 87.082 -6.167 7.905 1.00 0.00 C ATOM 1125 O GLY A 81 87.769 -6.960 8.525 1.00 0.00 O ATOM 0 H GLY A 81 86.059 -7.010 5.740 1.00 0.00 H new ATOM 0 HA2 GLY A 81 85.048 -5.449 7.848 1.00 0.00 H new ATOM 0 HA3 GLY A 81 85.216 -7.059 8.520 1.00 0.00 H new ATOM 1129 N GLY A 82 87.594 -5.084 7.376 1.00 0.00 N ATOM 1130 CA GLY A 82 89.049 -4.800 7.527 1.00 0.00 C ATOM 1131 C GLY A 82 89.616 -4.226 6.229 1.00 0.00 C ATOM 1132 O GLY A 82 89.159 -4.531 5.145 1.00 0.00 O ATOM 0 H GLY A 82 87.067 -4.388 6.848 1.00 0.00 H new ATOM 0 HA2 GLY A 82 89.206 -4.095 8.343 1.00 0.00 H new ATOM 0 HA3 GLY A 82 89.580 -5.715 7.790 1.00 0.00 H new ATOM 1136 N PHE A 83 90.621 -3.403 6.348 1.00 0.00 N ATOM 1137 CA PHE A 83 91.259 -2.792 5.141 1.00 0.00 C ATOM 1138 C PHE A 83 91.941 -3.870 4.295 1.00 0.00 C ATOM 1139 O PHE A 83 92.652 -4.713 4.808 1.00 0.00 O ATOM 1140 CB PHE A 83 92.337 -1.842 5.695 1.00 0.00 C ATOM 1141 CG PHE A 83 91.933 -0.400 5.517 1.00 0.00 C ATOM 1142 CD1 PHE A 83 91.600 0.089 4.249 1.00 0.00 C ATOM 1143 CD2 PHE A 83 91.923 0.454 6.624 1.00 0.00 C ATOM 1144 CE1 PHE A 83 91.254 1.437 4.090 1.00 0.00 C ATOM 1145 CE2 PHE A 83 91.574 1.798 6.467 1.00 0.00 C ATOM 1146 CZ PHE A 83 91.239 2.291 5.200 1.00 0.00 C ATOM 0 H PHE A 83 91.034 -3.123 7.238 1.00 0.00 H new ATOM 0 HA PHE A 83 90.525 -2.286 4.514 1.00 0.00 H new ATOM 0 HB2 PHE A 83 92.500 -2.049 6.753 1.00 0.00 H new ATOM 0 HB3 PHE A 83 93.283 -2.024 5.185 1.00 0.00 H new ATOM 0 HD1 PHE A 83 91.610 -0.572 3.395 1.00 0.00 H new ATOM 0 HD2 PHE A 83 92.185 0.075 7.601 1.00 0.00 H new ATOM 0 HE1 PHE A 83 90.999 1.818 3.112 1.00 0.00 H new ATOM 0 HE2 PHE A 83 91.563 2.456 7.323 1.00 0.00 H new ATOM 0 HZ PHE A 83 90.969 3.330 5.079 1.00 0.00 H new ATOM 1156 N ASN A 84 91.774 -3.814 2.999 1.00 0.00 N ATOM 1157 CA ASN A 84 92.465 -4.798 2.117 1.00 0.00 C ATOM 1158 C ASN A 84 93.056 -4.014 0.947 1.00 0.00 C ATOM 1159 O ASN A 84 92.340 -3.292 0.290 1.00 0.00 O ATOM 1160 CB ASN A 84 91.383 -5.772 1.644 1.00 0.00 C ATOM 1161 CG ASN A 84 92.035 -6.957 0.923 1.00 0.00 C ATOM 1162 OD1 ASN A 84 93.164 -6.869 0.478 1.00 0.00 O ATOM 1163 ND2 ASN A 84 91.370 -8.071 0.789 1.00 0.00 N ATOM 0 H ASN A 84 91.191 -3.131 2.515 1.00 0.00 H new ATOM 0 HA ASN A 84 93.266 -5.347 2.612 1.00 0.00 H new ATOM 0 HB2 ASN A 84 90.802 -6.127 2.495 1.00 0.00 H new ATOM 0 HB3 ASN A 84 90.689 -5.263 0.974 1.00 0.00 H new ATOM 0 HD21 ASN A 84 91.797 -8.865 0.312 1.00 0.00 H new ATOM 0 HD22 ASN A 84 90.423 -8.148 1.161 1.00 0.00 H new ATOM 1170 N VAL A 85 94.340 -4.105 0.696 1.00 0.00 N ATOM 1171 CA VAL A 85 94.919 -3.293 -0.424 1.00 0.00 C ATOM 1172 C VAL A 85 95.846 -4.118 -1.313 1.00 0.00 C ATOM 1173 O VAL A 85 96.110 -5.277 -1.061 1.00 0.00 O ATOM 1174 CB VAL A 85 95.710 -2.172 0.263 1.00 0.00 C ATOM 1175 CG1 VAL A 85 94.759 -1.315 1.100 1.00 0.00 C ATOM 1176 CG2 VAL A 85 96.787 -2.774 1.176 1.00 0.00 C ATOM 0 H VAL A 85 95.001 -4.692 1.205 1.00 0.00 H new ATOM 0 HA VAL A 85 94.132 -2.918 -1.078 1.00 0.00 H new ATOM 0 HB VAL A 85 96.188 -1.555 -0.498 1.00 0.00 H new ATOM 0 HG11 VAL A 85 95.321 -0.519 1.588 1.00 0.00 H new ATOM 0 HG12 VAL A 85 93.998 -0.878 0.453 1.00 0.00 H new ATOM 0 HG13 VAL A 85 94.279 -1.936 1.856 1.00 0.00 H new ATOM 0 HG21 VAL A 85 97.344 -1.972 1.660 1.00 0.00 H new ATOM 0 HG22 VAL A 85 96.314 -3.396 1.935 1.00 0.00 H new ATOM 0 HG23 VAL A 85 97.469 -3.382 0.582 1.00 0.00 H new ATOM 1186 N ASN A 86 96.344 -3.512 -2.360 1.00 0.00 N ATOM 1187 CA ASN A 86 97.269 -4.241 -3.281 1.00 0.00 C ATOM 1188 C ASN A 86 98.487 -4.765 -2.506 1.00 0.00 C ATOM 1189 O ASN A 86 98.847 -4.213 -1.486 1.00 0.00 O ATOM 1190 CB ASN A 86 97.713 -3.201 -4.308 1.00 0.00 C ATOM 1191 CG ASN A 86 96.771 -3.251 -5.503 1.00 0.00 C ATOM 1192 OD1 ASN A 86 96.322 -4.312 -5.881 1.00 0.00 O ATOM 1193 ND2 ASN A 86 96.452 -2.143 -6.115 1.00 0.00 N ATOM 0 H ASN A 86 96.151 -2.544 -2.618 1.00 0.00 H new ATOM 0 HA ASN A 86 96.786 -5.100 -3.747 1.00 0.00 H new ATOM 0 HB2 ASN A 86 97.705 -2.206 -3.864 1.00 0.00 H new ATOM 0 HB3 ASN A 86 98.736 -3.400 -4.627 1.00 0.00 H new ATOM 0 HD21 ASN A 86 95.821 -2.166 -6.916 1.00 0.00 H new ATOM 0 HD22 ASN A 86 96.833 -1.254 -5.792 1.00 0.00 H new ATOM 1200 N PRO A 87 99.092 -5.816 -3.014 1.00 0.00 N ATOM 1201 CA PRO A 87 100.280 -6.391 -2.342 1.00 0.00 C ATOM 1202 C PRO A 87 101.453 -5.414 -2.395 1.00 0.00 C ATOM 1203 O PRO A 87 102.298 -5.432 -1.524 1.00 0.00 O ATOM 1204 CB PRO A 87 100.569 -7.666 -3.130 1.00 0.00 C ATOM 1205 CG PRO A 87 99.961 -7.427 -4.473 1.00 0.00 C ATOM 1206 CD PRO A 87 98.752 -6.558 -4.242 1.00 0.00 C ATOM 0 HA PRO A 87 100.117 -6.594 -1.284 1.00 0.00 H new ATOM 0 HB2 PRO A 87 101.641 -7.849 -3.207 1.00 0.00 H new ATOM 0 HB3 PRO A 87 100.130 -8.539 -2.646 1.00 0.00 H new ATOM 0 HG2 PRO A 87 100.671 -6.936 -5.139 1.00 0.00 H new ATOM 0 HG3 PRO A 87 99.679 -8.368 -4.945 1.00 0.00 H new ATOM 0 HD2 PRO A 87 98.575 -5.886 -5.081 1.00 0.00 H new ATOM 0 HD3 PRO A 87 97.848 -7.153 -4.114 1.00 0.00 H new ATOM 1214 N THR A 88 101.514 -4.544 -3.376 1.00 0.00 N ATOM 1215 CA THR A 88 102.642 -3.562 -3.425 1.00 0.00 C ATOM 1216 C THR A 88 102.462 -2.554 -2.289 1.00 0.00 C ATOM 1217 O THR A 88 103.412 -2.187 -1.622 1.00 0.00 O ATOM 1218 CB THR A 88 102.543 -2.887 -4.788 1.00 0.00 C ATOM 1219 OG1 THR A 88 102.665 -3.865 -5.810 1.00 0.00 O ATOM 1220 CG2 THR A 88 103.656 -1.847 -4.942 1.00 0.00 C ATOM 0 H THR A 88 100.839 -4.472 -4.137 1.00 0.00 H new ATOM 0 HA THR A 88 103.620 -4.027 -3.301 1.00 0.00 H new ATOM 0 HB THR A 88 101.577 -2.389 -4.869 1.00 0.00 H new ATOM 0 HG1 THR A 88 102.600 -3.432 -6.687 1.00 0.00 H new ATOM 0 HG21 THR A 88 103.576 -1.371 -5.919 1.00 0.00 H new ATOM 0 HG22 THR A 88 103.559 -1.092 -4.161 1.00 0.00 H new ATOM 0 HG23 THR A 88 104.626 -2.337 -4.855 1.00 0.00 H new ATOM 1228 N ALA A 89 101.248 -2.127 -2.045 1.00 0.00 N ATOM 1229 CA ALA A 89 101.007 -1.168 -0.927 1.00 0.00 C ATOM 1230 C ALA A 89 101.294 -1.886 0.387 1.00 0.00 C ATOM 1231 O ALA A 89 101.880 -1.333 1.297 1.00 0.00 O ATOM 1232 CB ALA A 89 99.527 -0.779 -1.025 1.00 0.00 C ATOM 0 H ALA A 89 100.417 -2.401 -2.570 1.00 0.00 H new ATOM 0 HA ALA A 89 101.641 -0.283 -0.977 1.00 0.00 H new ATOM 0 HB1 ALA A 89 99.283 -0.074 -0.230 1.00 0.00 H new ATOM 0 HB2 ALA A 89 99.336 -0.315 -1.993 1.00 0.00 H new ATOM 0 HB3 ALA A 89 98.909 -1.671 -0.922 1.00 0.00 H new ATOM 1238 N PHE A 90 100.898 -3.125 0.476 1.00 0.00 N ATOM 1239 CA PHE A 90 101.156 -3.916 1.721 1.00 0.00 C ATOM 1240 C PHE A 90 102.662 -4.012 1.993 1.00 0.00 C ATOM 1241 O PHE A 90 103.119 -3.763 3.093 1.00 0.00 O ATOM 1242 CB PHE A 90 100.583 -5.306 1.427 1.00 0.00 C ATOM 1243 CG PHE A 90 100.655 -6.159 2.671 1.00 0.00 C ATOM 1244 CD1 PHE A 90 99.584 -6.170 3.573 1.00 0.00 C ATOM 1245 CD2 PHE A 90 101.787 -6.944 2.919 1.00 0.00 C ATOM 1246 CE1 PHE A 90 99.647 -6.963 4.724 1.00 0.00 C ATOM 1247 CE2 PHE A 90 101.850 -7.737 4.071 1.00 0.00 C ATOM 1248 CZ PHE A 90 100.779 -7.746 4.974 1.00 0.00 C ATOM 0 H PHE A 90 100.405 -3.629 -0.261 1.00 0.00 H new ATOM 0 HA PHE A 90 100.703 -3.457 2.600 1.00 0.00 H new ATOM 0 HB2 PHE A 90 99.549 -5.221 1.092 1.00 0.00 H new ATOM 0 HB3 PHE A 90 101.142 -5.777 0.618 1.00 0.00 H new ATOM 0 HD1 PHE A 90 98.709 -5.566 3.380 1.00 0.00 H new ATOM 0 HD2 PHE A 90 102.612 -6.938 2.222 1.00 0.00 H new ATOM 0 HE1 PHE A 90 98.821 -6.971 5.420 1.00 0.00 H new ATOM 0 HE2 PHE A 90 102.724 -8.342 4.263 1.00 0.00 H new ATOM 0 HZ PHE A 90 100.827 -8.357 5.863 1.00 0.00 H new ATOM 1258 N THR A 91 103.431 -4.394 1.005 1.00 0.00 N ATOM 1259 CA THR A 91 104.910 -4.537 1.200 1.00 0.00 C ATOM 1260 C THR A 91 105.528 -3.201 1.619 1.00 0.00 C ATOM 1261 O THR A 91 106.420 -3.149 2.439 1.00 0.00 O ATOM 1262 CB THR A 91 105.462 -4.976 -0.163 1.00 0.00 C ATOM 1263 OG1 THR A 91 104.851 -6.199 -0.540 1.00 0.00 O ATOM 1264 CG2 THR A 91 106.976 -5.191 -0.066 1.00 0.00 C ATOM 0 H THR A 91 103.098 -4.615 0.066 1.00 0.00 H new ATOM 0 HA THR A 91 105.145 -5.256 1.985 1.00 0.00 H new ATOM 0 HB THR A 91 105.249 -4.204 -0.902 1.00 0.00 H new ATOM 0 HG1 THR A 91 103.981 -6.017 -0.952 1.00 0.00 H new ATOM 0 HG21 THR A 91 107.362 -5.503 -1.037 1.00 0.00 H new ATOM 0 HG22 THR A 91 107.457 -4.260 0.234 1.00 0.00 H new ATOM 0 HG23 THR A 91 107.187 -5.963 0.673 1.00 0.00 H new ATOM 1272 N LYS A 92 105.075 -2.128 1.031 1.00 0.00 N ATOM 1273 CA LYS A 92 105.650 -0.793 1.377 1.00 0.00 C ATOM 1274 C LYS A 92 105.266 -0.368 2.795 1.00 0.00 C ATOM 1275 O LYS A 92 106.065 0.204 3.514 1.00 0.00 O ATOM 1276 CB LYS A 92 105.055 0.185 0.369 1.00 0.00 C ATOM 1277 CG LYS A 92 105.633 -0.072 -1.023 1.00 0.00 C ATOM 1278 CD LYS A 92 105.020 0.922 -2.014 1.00 0.00 C ATOM 1279 CE LYS A 92 105.591 0.674 -3.413 1.00 0.00 C ATOM 1280 NZ LYS A 92 104.697 1.423 -4.343 1.00 0.00 N1+ ATOM 0 H LYS A 92 104.335 -2.115 0.329 1.00 0.00 H new ATOM 0 HA LYS A 92 106.739 -0.820 1.340 1.00 0.00 H new ATOM 0 HB2 LYS A 92 103.970 0.079 0.345 1.00 0.00 H new ATOM 0 HB3 LYS A 92 105.268 1.209 0.676 1.00 0.00 H new ATOM 0 HG2 LYS A 92 106.718 0.036 -1.005 1.00 0.00 H new ATOM 0 HG3 LYS A 92 105.419 -1.094 -1.336 1.00 0.00 H new ATOM 0 HD2 LYS A 92 103.935 0.814 -2.029 1.00 0.00 H new ATOM 0 HD3 LYS A 92 105.234 1.943 -1.699 1.00 0.00 H new ATOM 0 HE2 LYS A 92 106.619 1.028 -3.486 1.00 0.00 H new ATOM 0 HE3 LYS A 92 105.602 -0.390 -3.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 105.029 1.297 -5.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 103.726 1.060 -4.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 104.712 2.434 -4.100 1.00 0.00 H new ATOM 1294 N LEU A 93 104.049 -0.621 3.193 1.00 0.00 N ATOM 1295 CA LEU A 93 103.611 -0.206 4.560 1.00 0.00 C ATOM 1296 C LEU A 93 104.266 -1.068 5.646 1.00 0.00 C ATOM 1297 O LEU A 93 104.674 -0.567 6.676 1.00 0.00 O ATOM 1298 CB LEU A 93 102.091 -0.386 4.566 1.00 0.00 C ATOM 1299 CG LEU A 93 101.513 0.012 5.931 1.00 0.00 C ATOM 1300 CD1 LEU A 93 101.616 1.527 6.121 1.00 0.00 C ATOM 1301 CD2 LEU A 93 100.044 -0.409 6.002 1.00 0.00 C ATOM 0 H LEU A 93 103.340 -1.095 2.634 1.00 0.00 H new ATOM 0 HA LEU A 93 103.904 0.821 4.777 1.00 0.00 H new ATOM 0 HB2 LEU A 93 101.643 0.224 3.782 1.00 0.00 H new ATOM 0 HB3 LEU A 93 101.840 -1.424 4.346 1.00 0.00 H new ATOM 0 HG LEU A 93 102.078 -0.487 6.718 1.00 0.00 H new ATOM 0 HD11 LEU A 93 101.204 1.801 7.092 1.00 0.00 H new ATOM 0 HD12 LEU A 93 102.662 1.829 6.073 1.00 0.00 H new ATOM 0 HD13 LEU A 93 101.056 2.031 5.334 1.00 0.00 H new ATOM 0 HD21 LEU A 93 99.631 -0.127 6.971 1.00 0.00 H new ATOM 0 HD22 LEU A 93 99.484 0.089 5.210 1.00 0.00 H new ATOM 0 HD23 LEU A 93 99.969 -1.489 5.876 1.00 0.00 H new ATOM 1313 N VAL A 94 104.333 -2.358 5.445 1.00 0.00 N ATOM 1314 CA VAL A 94 104.921 -3.255 6.495 1.00 0.00 C ATOM 1315 C VAL A 94 106.394 -3.556 6.214 1.00 0.00 C ATOM 1316 O VAL A 94 107.209 -3.614 7.116 1.00 0.00 O ATOM 1317 CB VAL A 94 104.094 -4.545 6.429 1.00 0.00 C ATOM 1318 CG1 VAL A 94 104.556 -5.510 7.524 1.00 0.00 C ATOM 1319 CG2 VAL A 94 102.609 -4.226 6.635 1.00 0.00 C ATOM 0 H VAL A 94 104.008 -2.832 4.603 1.00 0.00 H new ATOM 0 HA VAL A 94 104.887 -2.787 7.479 1.00 0.00 H new ATOM 0 HB VAL A 94 104.234 -5.004 5.450 1.00 0.00 H new ATOM 0 HG11 VAL A 94 103.967 -6.426 7.475 1.00 0.00 H new ATOM 0 HG12 VAL A 94 105.610 -5.748 7.378 1.00 0.00 H new ATOM 0 HG13 VAL A 94 104.421 -5.044 8.500 1.00 0.00 H new ATOM 0 HG21 VAL A 94 102.029 -5.147 6.587 1.00 0.00 H new ATOM 0 HG22 VAL A 94 102.469 -3.760 7.610 1.00 0.00 H new ATOM 0 HG23 VAL A 94 102.272 -3.544 5.855 1.00 0.00 H new ATOM 1329 N GLY A 95 106.732 -3.761 4.974 1.00 0.00 N ATOM 1330 CA GLY A 95 108.143 -4.076 4.610 1.00 0.00 C ATOM 1331 C GLY A 95 108.201 -5.437 3.909 1.00 0.00 C ATOM 1332 O GLY A 95 109.106 -5.707 3.141 1.00 0.00 O ATOM 0 H GLY A 95 106.085 -3.724 4.187 1.00 0.00 H new ATOM 0 HA2 GLY A 95 108.542 -3.301 3.955 1.00 0.00 H new ATOM 0 HA3 GLY A 95 108.766 -4.089 5.505 1.00 0.00 H new ATOM 1336 N SER A 96 107.241 -6.293 4.163 1.00 0.00 N ATOM 1337 CA SER A 96 107.237 -7.634 3.507 1.00 0.00 C ATOM 1338 C SER A 96 105.799 -8.071 3.210 1.00 0.00 C ATOM 1339 O SER A 96 104.861 -7.601 3.827 1.00 0.00 O ATOM 1340 CB SER A 96 107.882 -8.572 4.526 1.00 0.00 C ATOM 1341 OG SER A 96 107.116 -8.560 5.724 1.00 0.00 O ATOM 0 H SER A 96 106.461 -6.119 4.797 1.00 0.00 H new ATOM 0 HA SER A 96 107.772 -7.633 2.557 1.00 0.00 H new ATOM 0 HB2 SER A 96 107.935 -9.584 4.124 1.00 0.00 H new ATOM 0 HB3 SER A 96 108.905 -8.257 4.731 1.00 0.00 H new ATOM 0 HG SER A 96 107.525 -9.162 6.380 1.00 0.00 H new ATOM 1347 N THR A 97 105.619 -8.971 2.273 1.00 0.00 N ATOM 1348 CA THR A 97 104.237 -9.444 1.944 1.00 0.00 C ATOM 1349 C THR A 97 103.986 -10.835 2.543 1.00 0.00 C ATOM 1350 O THR A 97 103.052 -11.518 2.171 1.00 0.00 O ATOM 1351 CB THR A 97 104.151 -9.498 0.409 1.00 0.00 C ATOM 1352 OG1 THR A 97 105.122 -8.636 -0.173 1.00 0.00 O ATOM 1353 CG2 THR A 97 102.754 -9.061 -0.035 1.00 0.00 C ATOM 0 H THR A 97 106.366 -9.397 1.724 1.00 0.00 H new ATOM 0 HA THR A 97 103.484 -8.775 2.359 1.00 0.00 H new ATOM 0 HB THR A 97 104.344 -10.519 0.080 1.00 0.00 H new ATOM 0 HG1 THR A 97 104.833 -7.705 -0.076 1.00 0.00 H new ATOM 0 HG21 THR A 97 102.690 -9.098 -1.122 1.00 0.00 H new ATOM 0 HG22 THR A 97 102.009 -9.730 0.396 1.00 0.00 H new ATOM 0 HG23 THR A 97 102.566 -8.043 0.305 1.00 0.00 H new ATOM 1361 N GLU A 98 104.812 -11.253 3.470 1.00 0.00 N ATOM 1362 CA GLU A 98 104.630 -12.593 4.103 1.00 0.00 C ATOM 1363 C GLU A 98 103.798 -12.479 5.390 1.00 0.00 C ATOM 1364 O GLU A 98 103.315 -13.467 5.911 1.00 0.00 O ATOM 1365 CB GLU A 98 106.044 -13.069 4.424 1.00 0.00 C ATOM 1366 CG GLU A 98 106.785 -13.399 3.125 1.00 0.00 C ATOM 1367 CD GLU A 98 108.212 -13.880 3.430 1.00 0.00 C ATOM 1368 OE1 GLU A 98 108.638 -13.763 4.570 1.00 0.00 O1- ATOM 1369 OE2 GLU A 98 108.859 -14.356 2.512 1.00 0.00 O ATOM 0 H GLU A 98 105.609 -10.719 3.817 1.00 0.00 H new ATOM 0 HA GLU A 98 104.099 -13.284 3.449 1.00 0.00 H new ATOM 0 HB2 GLU A 98 106.582 -12.297 4.975 1.00 0.00 H new ATOM 0 HB3 GLU A 98 106.005 -13.949 5.065 1.00 0.00 H new ATOM 0 HG2 GLU A 98 106.244 -14.170 2.576 1.00 0.00 H new ATOM 0 HG3 GLU A 98 106.821 -12.517 2.485 1.00 0.00 H new ATOM 1376 N ALA A 99 103.633 -11.285 5.911 1.00 0.00 N ATOM 1377 CA ALA A 99 102.838 -11.111 7.169 1.00 0.00 C ATOM 1378 C ALA A 99 101.405 -11.606 6.967 1.00 0.00 C ATOM 1379 O ALA A 99 100.827 -12.224 7.841 1.00 0.00 O ATOM 1380 CB ALA A 99 102.854 -9.604 7.458 1.00 0.00 C ATOM 0 H ALA A 99 104.015 -10.424 5.519 1.00 0.00 H new ATOM 0 HA ALA A 99 103.256 -11.684 7.997 1.00 0.00 H new ATOM 0 HB1 ALA A 99 102.289 -9.402 8.368 1.00 0.00 H new ATOM 0 HB2 ALA A 99 103.883 -9.269 7.588 1.00 0.00 H new ATOM 0 HB3 ALA A 99 102.401 -9.069 6.624 1.00 0.00 H new ATOM 1386 N GLY A 100 100.830 -11.335 5.824 1.00 0.00 N ATOM 1387 CA GLY A 100 99.434 -11.786 5.564 1.00 0.00 C ATOM 1388 C GLY A 100 98.456 -10.737 6.093 1.00 0.00 C ATOM 1389 O GLY A 100 97.892 -9.968 5.337 1.00 0.00 O ATOM 0 H GLY A 100 101.269 -10.821 5.060 1.00 0.00 H new ATOM 0 HA2 GLY A 100 99.281 -11.936 4.495 1.00 0.00 H new ATOM 0 HA3 GLY A 100 99.253 -12.745 6.049 1.00 0.00 H new ATOM 1393 N ARG A 101 98.253 -10.700 7.388 1.00 0.00 N ATOM 1394 CA ARG A 101 97.311 -9.699 7.967 1.00 0.00 C ATOM 1395 C ARG A 101 97.897 -9.092 9.243 1.00 0.00 C ATOM 1396 O ARG A 101 98.416 -9.797 10.089 1.00 0.00 O ATOM 1397 CB ARG A 101 96.046 -10.485 8.298 1.00 0.00 C ATOM 1398 CG ARG A 101 94.889 -9.516 8.541 1.00 0.00 C ATOM 1399 CD ARG A 101 93.648 -10.309 8.952 1.00 0.00 C ATOM 1400 NE ARG A 101 92.521 -9.333 8.901 1.00 0.00 N ATOM 1401 CZ ARG A 101 91.304 -9.726 9.162 1.00 0.00 C ATOM 1402 NH1 ARG A 101 91.079 -10.536 10.161 1.00 0.00 N ATOM 1403 NH2 ARG A 101 90.312 -9.307 8.426 1.00 0.00 N1+ ATOM 0 H ARG A 101 98.699 -11.319 8.065 1.00 0.00 H new ATOM 0 HA ARG A 101 97.118 -8.877 7.277 1.00 0.00 H new ATOM 0 HB2 ARG A 101 95.801 -11.161 7.479 1.00 0.00 H new ATOM 0 HB3 ARG A 101 96.209 -11.101 9.182 1.00 0.00 H new ATOM 0 HG2 ARG A 101 95.154 -8.802 9.321 1.00 0.00 H new ATOM 0 HG3 ARG A 101 94.685 -8.940 7.638 1.00 0.00 H new ATOM 0 HD2 ARG A 101 93.474 -11.146 8.275 1.00 0.00 H new ATOM 0 HD3 ARG A 101 93.762 -10.726 9.953 1.00 0.00 H new ATOM 0 HE ARG A 101 92.702 -8.358 8.662 1.00 0.00 H new ATOM 0 HH11 ARG A 101 91.854 -10.862 10.738 1.00 0.00 H new ATOM 0 HH12 ARG A 101 90.128 -10.843 10.365 1.00 0.00 H new ATOM 0 HH21 ARG A 101 90.487 -8.673 7.647 1.00 0.00 H new ATOM 0 HH22 ARG A 101 89.361 -9.614 8.630 1.00 0.00 H new ATOM 1417 N VAL A 102 97.805 -7.794 9.398 1.00 0.00 N ATOM 1418 CA VAL A 102 98.346 -7.151 10.634 1.00 0.00 C ATOM 1419 C VAL A 102 97.215 -6.430 11.371 1.00 0.00 C ATOM 1420 O VAL A 102 96.575 -5.543 10.841 1.00 0.00 O ATOM 1421 CB VAL A 102 99.406 -6.156 10.147 1.00 0.00 C ATOM 1422 CG1 VAL A 102 100.059 -5.475 11.351 1.00 0.00 C ATOM 1423 CG2 VAL A 102 100.479 -6.895 9.341 1.00 0.00 C ATOM 0 H VAL A 102 97.381 -7.155 8.725 1.00 0.00 H new ATOM 0 HA VAL A 102 98.775 -7.873 11.328 1.00 0.00 H new ATOM 0 HB VAL A 102 98.930 -5.406 9.515 1.00 0.00 H new ATOM 0 HG11 VAL A 102 100.813 -4.768 11.005 1.00 0.00 H new ATOM 0 HG12 VAL A 102 99.299 -4.944 11.925 1.00 0.00 H new ATOM 0 HG13 VAL A 102 100.531 -6.227 11.983 1.00 0.00 H new ATOM 0 HG21 VAL A 102 101.230 -6.184 8.997 1.00 0.00 H new ATOM 0 HG22 VAL A 102 100.953 -7.647 9.971 1.00 0.00 H new ATOM 0 HG23 VAL A 102 100.018 -7.380 8.481 1.00 0.00 H new ATOM 1433 N ASP A 103 96.952 -6.836 12.583 1.00 0.00 N ATOM 1434 CA ASP A 103 95.844 -6.219 13.371 1.00 0.00 C ATOM 1435 C ASP A 103 96.293 -4.952 14.099 1.00 0.00 C ATOM 1436 O ASP A 103 97.444 -4.566 14.061 1.00 0.00 O ATOM 1437 CB ASP A 103 95.425 -7.305 14.369 1.00 0.00 C ATOM 1438 CG ASP A 103 96.581 -7.645 15.321 1.00 0.00 C ATOM 1439 OD1 ASP A 103 97.718 -7.356 14.982 1.00 0.00 O1- ATOM 1440 OD2 ASP A 103 96.306 -8.194 16.376 1.00 0.00 O ATOM 0 H ASP A 103 97.461 -7.576 13.067 1.00 0.00 H new ATOM 0 HA ASP A 103 95.024 -5.904 12.726 1.00 0.00 H new ATOM 0 HB2 ASP A 103 94.563 -6.965 14.943 1.00 0.00 H new ATOM 0 HB3 ASP A 103 95.116 -8.201 13.830 1.00 0.00 H new ATOM 1445 N ASN A 104 95.364 -4.312 14.768 1.00 0.00 N ATOM 1446 CA ASN A 104 95.662 -3.062 15.540 1.00 0.00 C ATOM 1447 C ASN A 104 96.203 -1.948 14.638 1.00 0.00 C ATOM 1448 O ASN A 104 97.096 -1.214 15.021 1.00 0.00 O ATOM 1449 CB ASN A 104 96.696 -3.455 16.603 1.00 0.00 C ATOM 1450 CG ASN A 104 96.099 -4.526 17.518 1.00 0.00 C ATOM 1451 OD1 ASN A 104 94.927 -4.483 17.839 1.00 0.00 O ATOM 1452 ND2 ASN A 104 96.858 -5.493 17.955 1.00 0.00 N ATOM 0 H ASN A 104 94.390 -4.610 14.813 1.00 0.00 H new ATOM 0 HA ASN A 104 94.753 -2.664 15.991 1.00 0.00 H new ATOM 0 HB2 ASN A 104 97.600 -3.832 16.125 1.00 0.00 H new ATOM 0 HB3 ASN A 104 96.984 -2.581 17.187 1.00 0.00 H new ATOM 0 HD21 ASN A 104 96.468 -6.212 18.565 1.00 0.00 H new ATOM 0 HD22 ASN A 104 97.841 -5.531 17.687 1.00 0.00 H new ATOM 1459 N VAL A 105 95.657 -1.805 13.455 1.00 0.00 N ATOM 1460 CA VAL A 105 96.137 -0.718 12.550 1.00 0.00 C ATOM 1461 C VAL A 105 95.233 0.506 12.709 1.00 0.00 C ATOM 1462 O VAL A 105 94.033 0.417 12.521 1.00 0.00 O ATOM 1463 CB VAL A 105 96.047 -1.273 11.127 1.00 0.00 C ATOM 1464 CG1 VAL A 105 96.500 -0.203 10.121 1.00 0.00 C ATOM 1465 CG2 VAL A 105 96.943 -2.513 10.998 1.00 0.00 C ATOM 0 H VAL A 105 94.908 -2.388 13.081 1.00 0.00 H new ATOM 0 HA VAL A 105 97.157 -0.413 12.781 1.00 0.00 H new ATOM 0 HB VAL A 105 95.014 -1.550 10.916 1.00 0.00 H new ATOM 0 HG11 VAL A 105 96.434 -0.604 9.109 1.00 0.00 H new ATOM 0 HG12 VAL A 105 95.857 0.673 10.207 1.00 0.00 H new ATOM 0 HG13 VAL A 105 97.531 0.082 10.332 1.00 0.00 H new ATOM 0 HG21 VAL A 105 96.877 -2.906 9.983 1.00 0.00 H new ATOM 0 HG22 VAL A 105 97.976 -2.240 11.215 1.00 0.00 H new ATOM 0 HG23 VAL A 105 96.614 -3.275 11.704 1.00 0.00 H new ATOM 1475 N ASN A 106 95.789 1.641 13.046 1.00 0.00 N ATOM 1476 CA ASN A 106 94.937 2.854 13.205 1.00 0.00 C ATOM 1477 C ASN A 106 94.722 3.518 11.842 1.00 0.00 C ATOM 1478 O ASN A 106 95.567 3.472 10.970 1.00 0.00 O ATOM 1479 CB ASN A 106 95.668 3.776 14.188 1.00 0.00 C ATOM 1480 CG ASN A 106 97.062 4.117 13.671 1.00 0.00 C ATOM 1481 OD1 ASN A 106 97.800 3.248 13.252 1.00 0.00 O ATOM 1482 ND2 ASN A 106 97.455 5.361 13.684 1.00 0.00 N ATOM 0 H ASN A 106 96.785 1.779 13.216 1.00 0.00 H new ATOM 0 HA ASN A 106 93.947 2.613 13.593 1.00 0.00 H new ATOM 0 HB2 ASN A 106 95.094 4.691 14.332 1.00 0.00 H new ATOM 0 HB3 ASN A 106 95.744 3.291 15.161 1.00 0.00 H new ATOM 0 HD21 ASN A 106 98.384 5.606 13.342 1.00 0.00 H new ATOM 0 HD22 ASN A 106 96.833 6.089 14.036 1.00 0.00 H new ATOM 1489 N TYR A 107 93.574 4.104 11.658 1.00 0.00 N ATOM 1490 CA TYR A 107 93.237 4.754 10.355 1.00 0.00 C ATOM 1491 C TYR A 107 92.441 6.049 10.578 1.00 0.00 C ATOM 1492 O TYR A 107 91.696 6.162 11.534 1.00 0.00 O ATOM 1493 CB TYR A 107 92.359 3.715 9.643 1.00 0.00 C ATOM 1494 CG TYR A 107 91.130 3.410 10.475 1.00 0.00 C ATOM 1495 CD1 TYR A 107 91.171 2.378 11.416 1.00 0.00 C ATOM 1496 CD2 TYR A 107 89.964 4.167 10.315 1.00 0.00 C ATOM 1497 CE1 TYR A 107 90.048 2.101 12.198 1.00 0.00 C ATOM 1498 CE2 TYR A 107 88.837 3.889 11.097 1.00 0.00 C ATOM 1499 CZ TYR A 107 88.879 2.854 12.039 1.00 0.00 C ATOM 1500 OH TYR A 107 87.770 2.581 12.813 1.00 0.00 O ATOM 0 H TYR A 107 92.841 4.163 12.365 1.00 0.00 H new ATOM 0 HA TYR A 107 94.125 5.030 9.787 1.00 0.00 H new ATOM 0 HB2 TYR A 107 92.060 4.090 8.664 1.00 0.00 H new ATOM 0 HB3 TYR A 107 92.929 2.801 9.474 1.00 0.00 H new ATOM 0 HD1 TYR A 107 92.071 1.794 11.538 1.00 0.00 H new ATOM 0 HD2 TYR A 107 89.934 4.965 9.588 1.00 0.00 H new ATOM 0 HE1 TYR A 107 90.081 1.305 12.927 1.00 0.00 H new ATOM 0 HE2 TYR A 107 87.936 4.472 10.974 1.00 0.00 H new ATOM 0 HH TYR A 107 87.046 3.197 12.576 1.00 0.00 H new ATOM 1510 N VAL A 108 92.592 7.023 9.711 1.00 0.00 N ATOM 1511 CA VAL A 108 91.832 8.306 9.894 1.00 0.00 C ATOM 1512 C VAL A 108 91.525 8.982 8.552 1.00 0.00 C ATOM 1513 O VAL A 108 92.316 8.947 7.629 1.00 0.00 O ATOM 1514 CB VAL A 108 92.737 9.205 10.743 1.00 0.00 C ATOM 1515 CG1 VAL A 108 92.886 8.609 12.144 1.00 0.00 C ATOM 1516 CG2 VAL A 108 94.120 9.331 10.093 1.00 0.00 C ATOM 0 H VAL A 108 93.201 6.989 8.893 1.00 0.00 H new ATOM 0 HA VAL A 108 90.869 8.120 10.370 1.00 0.00 H new ATOM 0 HB VAL A 108 92.285 10.194 10.812 1.00 0.00 H new ATOM 0 HG11 VAL A 108 93.530 9.250 12.746 1.00 0.00 H new ATOM 0 HG12 VAL A 108 91.905 8.536 12.614 1.00 0.00 H new ATOM 0 HG13 VAL A 108 93.329 7.616 12.072 1.00 0.00 H new ATOM 0 HG21 VAL A 108 94.753 9.972 10.706 1.00 0.00 H new ATOM 0 HG22 VAL A 108 94.575 8.344 10.011 1.00 0.00 H new ATOM 0 HG23 VAL A 108 94.017 9.767 9.099 1.00 0.00 H new ATOM 1526 N GLN A 109 90.381 9.617 8.456 1.00 0.00 N ATOM 1527 CA GLN A 109 90.005 10.330 7.193 1.00 0.00 C ATOM 1528 C GLN A 109 90.884 11.563 7.012 1.00 0.00 C ATOM 1529 O GLN A 109 91.180 12.267 7.959 1.00 0.00 O ATOM 1530 CB GLN A 109 88.549 10.767 7.385 1.00 0.00 C ATOM 1531 CG GLN A 109 88.041 11.448 6.113 1.00 0.00 C ATOM 1532 CD GLN A 109 86.574 11.843 6.297 1.00 0.00 C ATOM 1533 OE1 GLN A 109 86.219 12.472 7.274 1.00 0.00 O ATOM 1534 NE2 GLN A 109 85.701 11.493 5.394 1.00 0.00 N ATOM 0 H GLN A 109 89.688 9.672 9.202 1.00 0.00 H new ATOM 0 HA GLN A 109 90.132 9.693 6.317 1.00 0.00 H new ATOM 0 HB2 GLN A 109 87.928 9.902 7.619 1.00 0.00 H new ATOM 0 HB3 GLN A 109 88.473 11.451 8.230 1.00 0.00 H new ATOM 0 HG2 GLN A 109 88.642 12.331 5.896 1.00 0.00 H new ATOM 0 HG3 GLN A 109 88.144 10.775 5.262 1.00 0.00 H new ATOM 0 HE21 GLN A 109 85.999 10.965 4.574 1.00 0.00 H new ATOM 0 HE22 GLN A 109 84.720 11.747 5.508 1.00 0.00 H new ATOM 1543 N VAL A 110 91.287 11.840 5.798 1.00 0.00 N ATOM 1544 CA VAL A 110 92.128 13.044 5.554 1.00 0.00 C ATOM 1545 C VAL A 110 91.694 13.732 4.254 1.00 0.00 C ATOM 1546 O VAL A 110 90.867 13.220 3.522 1.00 0.00 O ATOM 1547 CB VAL A 110 93.576 12.541 5.469 1.00 0.00 C ATOM 1548 CG1 VAL A 110 93.997 11.987 6.834 1.00 0.00 C ATOM 1549 CG2 VAL A 110 93.699 11.440 4.404 1.00 0.00 C ATOM 0 H VAL A 110 91.070 11.285 4.970 1.00 0.00 H new ATOM 0 HA VAL A 110 92.026 13.783 6.349 1.00 0.00 H new ATOM 0 HB VAL A 110 94.226 13.370 5.189 1.00 0.00 H new ATOM 0 HG11 VAL A 110 95.025 11.628 6.780 1.00 0.00 H new ATOM 0 HG12 VAL A 110 93.927 12.775 7.584 1.00 0.00 H new ATOM 0 HG13 VAL A 110 93.339 11.163 7.111 1.00 0.00 H new ATOM 0 HG21 VAL A 110 94.731 11.094 4.356 1.00 0.00 H new ATOM 0 HG22 VAL A 110 93.048 10.606 4.666 1.00 0.00 H new ATOM 0 HG23 VAL A 110 93.404 11.838 3.433 1.00 0.00 H new ATOM 1559 N ASP A 111 92.235 14.886 3.967 1.00 0.00 N ATOM 1560 CA ASP A 111 91.848 15.618 2.717 1.00 0.00 C ATOM 1561 C ASP A 111 92.157 14.775 1.472 1.00 0.00 C ATOM 1562 O ASP A 111 93.126 14.042 1.433 1.00 0.00 O ATOM 1563 CB ASP A 111 92.697 16.892 2.723 1.00 0.00 C ATOM 1564 CG ASP A 111 92.131 17.891 1.713 1.00 0.00 C ATOM 1565 OD1 ASP A 111 91.935 17.505 0.573 1.00 0.00 O ATOM 1566 OD2 ASP A 111 91.902 19.026 2.097 1.00 0.00 O1- ATOM 0 H ASP A 111 92.931 15.358 4.544 1.00 0.00 H new ATOM 0 HA ASP A 111 90.780 15.834 2.689 1.00 0.00 H new ATOM 0 HB2 ASP A 111 92.703 17.332 3.720 1.00 0.00 H new ATOM 0 HB3 ASP A 111 93.731 16.653 2.473 1.00 0.00 H new ATOM 1571 N LEU A 112 91.338 14.879 0.453 1.00 0.00 N ATOM 1572 CA LEU A 112 91.572 14.092 -0.804 1.00 0.00 C ATOM 1573 C LEU A 112 92.927 14.456 -1.410 1.00 0.00 C ATOM 1574 O LEU A 112 93.642 13.609 -1.909 1.00 0.00 O ATOM 1575 CB LEU A 112 90.443 14.498 -1.753 1.00 0.00 C ATOM 1576 CG LEU A 112 90.589 13.744 -3.080 1.00 0.00 C ATOM 1577 CD1 LEU A 112 89.209 13.484 -3.687 1.00 0.00 C ATOM 1578 CD2 LEU A 112 91.417 14.587 -4.052 1.00 0.00 C ATOM 0 H LEU A 112 90.513 15.478 0.436 1.00 0.00 H new ATOM 0 HA LEU A 112 91.580 13.018 -0.616 1.00 0.00 H new ATOM 0 HB2 LEU A 112 89.477 14.275 -1.301 1.00 0.00 H new ATOM 0 HB3 LEU A 112 90.472 15.573 -1.929 1.00 0.00 H new ATOM 0 HG LEU A 112 91.087 12.791 -2.898 1.00 0.00 H new ATOM 0 HD11 LEU A 112 89.321 12.948 -4.629 1.00 0.00 H new ATOM 0 HD12 LEU A 112 88.615 12.884 -2.997 1.00 0.00 H new ATOM 0 HD13 LEU A 112 88.706 14.434 -3.868 1.00 0.00 H new ATOM 0 HD21 LEU A 112 91.523 14.054 -4.997 1.00 0.00 H new ATOM 0 HD22 LEU A 112 90.915 15.539 -4.227 1.00 0.00 H new ATOM 0 HD23 LEU A 112 92.404 14.770 -3.626 1.00 0.00 H new ATOM 1590 N SER A 113 93.273 15.715 -1.383 1.00 0.00 N ATOM 1591 CA SER A 113 94.579 16.159 -1.967 1.00 0.00 C ATOM 1592 C SER A 113 95.727 15.365 -1.337 1.00 0.00 C ATOM 1593 O SER A 113 96.672 15.001 -2.001 1.00 0.00 O ATOM 1594 CB SER A 113 94.694 17.640 -1.616 1.00 0.00 C ATOM 1595 OG SER A 113 93.690 18.367 -2.313 1.00 0.00 O ATOM 0 H SER A 113 92.706 16.461 -0.980 1.00 0.00 H new ATOM 0 HA SER A 113 94.628 15.997 -3.044 1.00 0.00 H new ATOM 0 HB2 SER A 113 94.581 17.781 -0.541 1.00 0.00 H new ATOM 0 HB3 SER A 113 95.682 18.014 -1.884 1.00 0.00 H new ATOM 0 HG SER A 113 93.760 19.318 -2.089 1.00 0.00 H new ATOM 1601 N ASN A 114 95.638 15.086 -0.062 1.00 0.00 N ATOM 1602 CA ASN A 114 96.711 14.297 0.622 1.00 0.00 C ATOM 1603 C ASN A 114 96.847 12.920 -0.031 1.00 0.00 C ATOM 1604 O ASN A 114 97.938 12.430 -0.233 1.00 0.00 O ATOM 1605 CB ASN A 114 96.257 14.158 2.075 1.00 0.00 C ATOM 1606 CG ASN A 114 96.341 15.517 2.772 1.00 0.00 C ATOM 1607 OD1 ASN A 114 97.149 16.349 2.411 1.00 0.00 O ATOM 1608 ND2 ASN A 114 95.532 15.779 3.761 1.00 0.00 N ATOM 0 H ASN A 114 94.865 15.371 0.539 1.00 0.00 H new ATOM 0 HA ASN A 114 97.683 14.785 0.552 1.00 0.00 H new ATOM 0 HB2 ASN A 114 95.235 13.781 2.113 1.00 0.00 H new ATOM 0 HB3 ASN A 114 96.883 13.433 2.594 1.00 0.00 H new ATOM 0 HD21 ASN A 114 95.578 16.683 4.232 1.00 0.00 H new ATOM 0 HD22 ASN A 114 94.854 15.080 4.064 1.00 0.00 H new ATOM 1615 N CYS A 115 95.744 12.306 -0.386 1.00 0.00 N ATOM 1616 CA CYS A 115 95.810 10.973 -1.060 1.00 0.00 C ATOM 1617 C CYS A 115 96.508 11.126 -2.410 1.00 0.00 C ATOM 1618 O CYS A 115 97.352 10.333 -2.783 1.00 0.00 O ATOM 1619 CB CYS A 115 94.353 10.549 -1.288 1.00 0.00 C ATOM 1620 SG CYS A 115 93.748 9.607 0.133 1.00 0.00 S ATOM 0 H CYS A 115 94.803 12.670 -0.238 1.00 0.00 H new ATOM 0 HA CYS A 115 96.358 10.242 -0.466 1.00 0.00 H new ATOM 0 HB2 CYS A 115 93.730 11.430 -1.442 1.00 0.00 H new ATOM 0 HB3 CYS A 115 94.279 9.945 -2.192 1.00 0.00 H new ATOM 1625 N ILE A 116 96.134 12.135 -3.149 1.00 0.00 N ATOM 1626 CA ILE A 116 96.740 12.353 -4.496 1.00 0.00 C ATOM 1627 C ILE A 116 98.243 12.624 -4.361 1.00 0.00 C ATOM 1628 O ILE A 116 99.051 12.078 -5.089 1.00 0.00 O ATOM 1629 CB ILE A 116 96.031 13.587 -5.076 1.00 0.00 C ATOM 1630 CG1 ILE A 116 94.506 13.375 -5.125 1.00 0.00 C ATOM 1631 CG2 ILE A 116 96.539 13.849 -6.494 1.00 0.00 C ATOM 1632 CD1 ILE A 116 94.163 12.124 -5.935 1.00 0.00 C ATOM 0 H ILE A 116 95.431 12.822 -2.877 1.00 0.00 H new ATOM 0 HA ILE A 116 96.622 11.480 -5.138 1.00 0.00 H new ATOM 0 HB ILE A 116 96.248 14.439 -4.432 1.00 0.00 H new ATOM 0 HG12 ILE A 116 94.114 13.278 -4.113 1.00 0.00 H new ATOM 0 HG13 ILE A 116 94.026 14.246 -5.571 1.00 0.00 H new ATOM 0 HG21 ILE A 116 96.036 14.724 -6.905 1.00 0.00 H new ATOM 0 HG22 ILE A 116 97.614 14.027 -6.468 1.00 0.00 H new ATOM 0 HG23 ILE A 116 96.330 12.982 -7.121 1.00 0.00 H new ATOM 0 HD11 ILE A 116 93.081 11.991 -5.958 1.00 0.00 H new ATOM 0 HD12 ILE A 116 94.537 12.236 -6.953 1.00 0.00 H new ATOM 0 HD13 ILE A 116 94.626 11.253 -5.472 1.00 0.00 H new ATOM 1644 N ASN A 117 98.611 13.472 -3.438 1.00 0.00 N ATOM 1645 CA ASN A 117 100.057 13.806 -3.245 1.00 0.00 C ATOM 1646 C ASN A 117 100.828 12.584 -2.739 1.00 0.00 C ATOM 1647 O ASN A 117 101.947 12.331 -3.145 1.00 0.00 O ATOM 1648 CB ASN A 117 100.064 14.915 -2.192 1.00 0.00 C ATOM 1649 CG ASN A 117 99.490 16.198 -2.799 1.00 0.00 C ATOM 1650 OD1 ASN A 117 99.665 16.459 -3.973 1.00 0.00 O ATOM 1651 ND2 ASN A 117 98.796 17.006 -2.047 1.00 0.00 N ATOM 0 H ASN A 117 97.971 13.951 -2.805 1.00 0.00 H new ATOM 0 HA ASN A 117 100.535 14.115 -4.174 1.00 0.00 H new ATOM 0 HB2 ASN A 117 99.474 14.613 -1.327 1.00 0.00 H new ATOM 0 HB3 ASN A 117 101.080 15.090 -1.839 1.00 0.00 H new ATOM 0 HD21 ASN A 117 98.399 17.858 -2.444 1.00 0.00 H new ATOM 0 HD22 ASN A 117 98.650 16.786 -1.062 1.00 0.00 H new ATOM 1658 N GLY A 118 100.236 11.833 -1.849 1.00 0.00 N ATOM 1659 CA GLY A 118 100.918 10.628 -1.296 1.00 0.00 C ATOM 1660 C GLY A 118 101.204 9.626 -2.415 1.00 0.00 C ATOM 1661 O GLY A 118 102.269 9.040 -2.477 1.00 0.00 O ATOM 0 H GLY A 118 99.301 12.005 -1.479 1.00 0.00 H new ATOM 0 HA2 GLY A 118 101.850 10.919 -0.811 1.00 0.00 H new ATOM 0 HA3 GLY A 118 100.292 10.164 -0.533 1.00 0.00 H new ATOM 1665 N ALA A 119 100.257 9.420 -3.293 1.00 0.00 N ATOM 1666 CA ALA A 119 100.463 8.448 -4.411 1.00 0.00 C ATOM 1667 C ALA A 119 101.581 8.928 -5.341 1.00 0.00 C ATOM 1668 O ALA A 119 102.388 8.147 -5.808 1.00 0.00 O ATOM 1669 CB ALA A 119 99.128 8.400 -5.155 1.00 0.00 C ATOM 0 H ALA A 119 99.348 9.883 -3.285 1.00 0.00 H new ATOM 0 HA ALA A 119 100.759 7.465 -4.046 1.00 0.00 H new ATOM 0 HB1 ALA A 119 99.202 7.705 -5.992 1.00 0.00 H new ATOM 0 HB2 ALA A 119 98.344 8.066 -4.475 1.00 0.00 H new ATOM 0 HB3 ALA A 119 98.884 9.394 -5.530 1.00 0.00 H new ATOM 1675 N ASN A 120 101.632 10.208 -5.612 1.00 0.00 N ATOM 1676 CA ASN A 120 102.695 10.745 -6.513 1.00 0.00 C ATOM 1677 C ASN A 120 103.535 11.793 -5.778 1.00 0.00 C ATOM 1678 O ASN A 120 104.591 11.435 -5.283 1.00 0.00 O ATOM 1679 CB ASN A 120 101.939 11.384 -7.679 1.00 0.00 C ATOM 1680 CG ASN A 120 101.168 10.304 -8.441 1.00 0.00 C ATOM 1681 OD1 ASN A 120 99.962 10.211 -8.332 1.00 0.00 O ATOM 1682 ND2 ASN A 120 101.818 9.480 -9.215 1.00 0.00 N ATOM 1683 OXT ASN A 120 103.109 12.934 -5.724 1.00 0.00 O ATOM 0 H ASN A 120 100.982 10.904 -5.247 1.00 0.00 H new ATOM 0 HA ASN A 120 103.382 9.969 -6.849 1.00 0.00 H new ATOM 0 HB2 ASN A 120 101.251 12.143 -7.308 1.00 0.00 H new ATOM 0 HB3 ASN A 120 102.638 11.887 -8.347 1.00 0.00 H new ATOM 0 HD21 ASN A 120 101.314 8.758 -9.729 1.00 0.00 H new ATOM 0 HD22 ASN A 120 102.831 9.558 -9.307 1.00 0.00 H new TER 1690 ASN A 120