USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 667 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 90 THR OG1 : rot 180:sc= 0.231 USER MOD Set 1.2: A 92 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 27 TYR OH : rot 180:sc= 0.743 USER MOD Set 2.2: A 81 THR OG1 : rot 85:sc= 1.51 USER MOD Set 3.1: A 5 THR OG1 : rot 51:sc= 0.167 USER MOD Set 3.2: A 10 ASN : amide:sc= 0.141 K(o=0.31,f=-1.8) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0576 USER MOD Single : A 4 THR OG1 : rot -107:sc= 1.29 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 60:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0346 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.058) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= -0.134 X(o=-0.13,f=-0.13) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.807 K(o=-0.81,f=0.93) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0.12) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0142 USER MOD Single : A 38 TYR OH : rot 30:sc= 0.362 USER MOD Single : A 40 HIS : no HD1:sc= -0.946 K(o=-0.95,f=-1.8) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot -151:sc= 0.0188 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 173:sc= 0.821 USER MOD Single : A 57 GLN : amide:sc= -0.563 K(o=-0.56,f=-3.9!) USER MOD Single : A 62 LYS NZ :NH3+ -115:sc= 0.685 (180deg=-0.00428) USER MOD Single : A 63 SER OG : rot -61:sc= 0.0536 USER MOD Single : A 67 TYR OH : rot 98:sc= 0.146 USER MOD Single : A 68 THR OG1 : rot 173:sc= 0.828 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= 0.43 K(o=0.43,f=-2.4!) USER MOD Single : A 82 ASN : amide:sc=-0.00221 K(o=-0.0022,f=-1.3) USER MOD Single : A 85 TYR OH : rot 158:sc= 0.441 USER MOD Single : A 91 HIS : no HD1:sc= -1.24 X(o=-1.2,f=-1.6) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 98 ASN : amide:sc= -0.35 K(o=-0.35,f=-1) USER MOD Single : A 103 SER OG : rot 64:sc= 0.631 USER MOD Single : A 105 THR OG1 : rot -146:sc= 0.982 USER MOD Single : A 106 ASN : amide:sc= 0.138 X(o=0.14,f=0) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 2 5.276 11.768 -5.391 1.00 0.00 N ATOM 16 CA SER A 2 6.575 11.743 -4.733 1.00 0.00 C ATOM 17 C SER A 2 6.969 13.171 -4.351 1.00 0.00 C ATOM 18 O SER A 2 6.253 14.116 -4.678 1.00 0.00 O ATOM 19 CB SER A 2 7.602 11.106 -5.680 1.00 0.00 C ATOM 20 OG SER A 2 8.842 10.919 -5.030 1.00 0.00 O ATOM 0 HA SER A 2 6.537 11.147 -3.821 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.227 10.147 -6.038 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.738 11.741 -6.555 1.00 0.00 H new ATOM 0 HG SER A 2 9.479 10.511 -5.652 1.00 0.00 H new ATOM 26 N ALA A 3 8.107 13.328 -3.659 1.00 0.00 N ATOM 27 CA ALA A 3 8.636 14.619 -3.231 1.00 0.00 C ATOM 28 C ALA A 3 8.848 15.521 -4.445 1.00 0.00 C ATOM 29 O ALA A 3 9.160 15.030 -5.530 1.00 0.00 O ATOM 30 CB ALA A 3 9.950 14.410 -2.476 1.00 0.00 C ATOM 0 H ALA A 3 8.693 12.541 -3.379 1.00 0.00 H new ATOM 0 HA ALA A 3 7.923 15.102 -2.563 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.344 15.375 -2.157 1.00 0.00 H new ATOM 0 HB2 ALA A 3 9.772 13.784 -1.602 1.00 0.00 H new ATOM 0 HB3 ALA A 3 10.672 13.922 -3.131 1.00 0.00 H new ATOM 36 N THR A 4 8.686 16.839 -4.261 1.00 0.00 N ATOM 37 CA THR A 4 8.837 17.791 -5.352 1.00 0.00 C ATOM 38 C THR A 4 9.328 19.152 -4.858 1.00 0.00 C ATOM 39 O THR A 4 9.151 19.494 -3.691 1.00 0.00 O ATOM 40 CB THR A 4 7.504 17.893 -6.117 1.00 0.00 C ATOM 41 OG1 THR A 4 7.726 18.501 -7.369 1.00 0.00 O ATOM 42 CG2 THR A 4 6.419 18.667 -5.354 1.00 0.00 C ATOM 0 H THR A 4 8.450 17.263 -3.364 1.00 0.00 H new ATOM 0 HA THR A 4 9.606 17.432 -6.036 1.00 0.00 H new ATOM 0 HB THR A 4 7.134 16.875 -6.240 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.363 19.411 -7.360 1.00 0.00 H new ATOM 0 HG21 THR A 4 5.508 18.700 -5.951 1.00 0.00 H new ATOM 0 HG22 THR A 4 6.214 18.168 -4.407 1.00 0.00 H new ATOM 0 HG23 THR A 4 6.764 19.683 -5.162 1.00 0.00 H new ATOM 50 N THR A 5 9.956 19.914 -5.762 1.00 0.00 N ATOM 51 CA THR A 5 10.484 21.241 -5.542 1.00 0.00 C ATOM 52 C THR A 5 9.943 22.109 -6.679 1.00 0.00 C ATOM 53 O THR A 5 10.058 21.750 -7.849 1.00 0.00 O ATOM 54 CB THR A 5 12.022 21.173 -5.478 1.00 0.00 C ATOM 55 OG1 THR A 5 12.439 21.198 -4.129 1.00 0.00 O ATOM 56 CG2 THR A 5 12.708 22.308 -6.237 1.00 0.00 C ATOM 0 H THR A 5 10.112 19.591 -6.717 1.00 0.00 H new ATOM 0 HA THR A 5 10.174 21.680 -4.593 1.00 0.00 H new ATOM 0 HB THR A 5 12.316 20.241 -5.961 1.00 0.00 H new ATOM 0 HG1 THR A 5 11.941 20.524 -3.620 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.789 22.201 -6.152 1.00 0.00 H new ATOM 0 HG22 THR A 5 12.421 22.269 -7.288 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.404 23.265 -5.813 1.00 0.00 H new ATOM 64 N CYS A 6 9.345 23.245 -6.315 1.00 0.00 N ATOM 65 CA CYS A 6 8.752 24.208 -7.229 1.00 0.00 C ATOM 66 C CYS A 6 9.544 25.505 -7.076 1.00 0.00 C ATOM 67 O CYS A 6 9.214 26.352 -6.245 1.00 0.00 O ATOM 68 CB CYS A 6 7.268 24.356 -6.875 1.00 0.00 C ATOM 69 SG CYS A 6 6.096 23.423 -7.905 1.00 0.00 S ATOM 0 H CYS A 6 9.260 23.525 -5.338 1.00 0.00 H new ATOM 0 HA CYS A 6 8.798 23.900 -8.273 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.132 24.049 -5.838 1.00 0.00 H new ATOM 0 HB3 CYS A 6 7.007 25.413 -6.931 1.00 0.00 H new ATOM 74 N GLY A 7 10.601 25.642 -7.887 1.00 0.00 N ATOM 75 CA GLY A 7 11.493 26.789 -7.883 1.00 0.00 C ATOM 76 C GLY A 7 12.435 26.654 -6.691 1.00 0.00 C ATOM 77 O GLY A 7 13.542 26.133 -6.826 1.00 0.00 O ATOM 0 H GLY A 7 10.858 24.937 -8.577 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.060 26.833 -8.813 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.922 27.715 -7.814 1.00 0.00 H new ATOM 81 N SER A 8 11.978 27.143 -5.532 1.00 0.00 N ATOM 82 CA SER A 8 12.684 27.106 -4.257 1.00 0.00 C ATOM 83 C SER A 8 11.808 26.503 -3.150 1.00 0.00 C ATOM 84 O SER A 8 12.337 26.118 -2.108 1.00 0.00 O ATOM 85 CB SER A 8 13.137 28.522 -3.882 1.00 0.00 C ATOM 86 OG SER A 8 14.032 29.025 -4.852 1.00 0.00 O ATOM 0 H SER A 8 11.066 27.594 -5.460 1.00 0.00 H new ATOM 0 HA SER A 8 13.559 26.465 -4.362 1.00 0.00 H new ATOM 0 HB2 SER A 8 12.271 29.179 -3.802 1.00 0.00 H new ATOM 0 HB3 SER A 8 13.619 28.510 -2.905 1.00 0.00 H new ATOM 0 HG SER A 8 14.312 29.930 -4.601 1.00 0.00 H new ATOM 92 N THR A 9 10.485 26.405 -3.361 1.00 0.00 N ATOM 93 CA THR A 9 9.540 25.871 -2.392 1.00 0.00 C ATOM 94 C THR A 9 9.548 24.341 -2.455 1.00 0.00 C ATOM 95 O THR A 9 8.906 23.750 -3.323 1.00 0.00 O ATOM 96 CB THR A 9 8.147 26.464 -2.671 1.00 0.00 C ATOM 97 OG1 THR A 9 8.242 27.870 -2.777 1.00 0.00 O ATOM 98 CG2 THR A 9 7.162 26.130 -1.547 1.00 0.00 C ATOM 0 H THR A 9 10.043 26.703 -4.231 1.00 0.00 H new ATOM 0 HA THR A 9 9.825 26.153 -1.378 1.00 0.00 H new ATOM 0 HB THR A 9 7.783 26.030 -3.602 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.355 28.245 -2.956 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.188 26.564 -1.776 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.065 25.048 -1.458 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.530 26.540 -0.607 1.00 0.00 H new ATOM 106 N ASN A 10 10.285 23.709 -1.531 1.00 0.00 N ATOM 107 CA ASN A 10 10.402 22.260 -1.430 1.00 0.00 C ATOM 108 C ASN A 10 9.182 21.667 -0.719 1.00 0.00 C ATOM 109 O ASN A 10 8.506 22.353 0.044 1.00 0.00 O ATOM 110 CB ASN A 10 11.707 21.902 -0.701 1.00 0.00 C ATOM 111 CG ASN A 10 12.005 20.399 -0.691 1.00 0.00 C ATOM 112 OD1 ASN A 10 11.667 19.683 -1.631 1.00 0.00 O ATOM 113 ND2 ASN A 10 12.645 19.916 0.378 1.00 0.00 N ATOM 0 H ASN A 10 10.824 24.206 -0.822 1.00 0.00 H new ATOM 0 HA ASN A 10 10.434 21.829 -2.431 1.00 0.00 H new ATOM 0 HB2 ASN A 10 12.536 22.426 -1.177 1.00 0.00 H new ATOM 0 HB3 ASN A 10 11.651 22.261 0.327 1.00 0.00 H new ATOM 0 HD21 ASN A 10 12.869 18.922 0.433 1.00 0.00 H new ATOM 0 HD22 ASN A 10 12.910 20.541 1.139 1.00 0.00 H new ATOM 120 N TYR A 11 8.910 20.385 -0.992 1.00 0.00 N ATOM 121 CA TYR A 11 7.812 19.627 -0.417 1.00 0.00 C ATOM 122 C TYR A 11 8.197 18.161 -0.247 1.00 0.00 C ATOM 123 O TYR A 11 8.866 17.576 -1.099 1.00 0.00 O ATOM 124 CB TYR A 11 6.587 19.664 -1.336 1.00 0.00 C ATOM 125 CG TYR A 11 5.959 21.023 -1.542 1.00 0.00 C ATOM 126 CD1 TYR A 11 5.044 21.520 -0.598 1.00 0.00 C ATOM 127 CD2 TYR A 11 6.280 21.785 -2.679 1.00 0.00 C ATOM 128 CE1 TYR A 11 4.449 22.775 -0.794 1.00 0.00 C ATOM 129 CE2 TYR A 11 5.683 23.040 -2.872 1.00 0.00 C ATOM 130 CZ TYR A 11 4.757 23.533 -1.935 1.00 0.00 C ATOM 131 OH TYR A 11 4.167 24.749 -2.127 1.00 0.00 O ATOM 0 H TYR A 11 9.472 19.836 -1.642 1.00 0.00 H new ATOM 0 HA TYR A 11 7.585 20.080 0.548 1.00 0.00 H new ATOM 0 HB2 TYR A 11 6.875 19.266 -2.309 1.00 0.00 H new ATOM 0 HB3 TYR A 11 5.831 18.993 -0.929 1.00 0.00 H new ATOM 0 HD1 TYR A 11 4.799 20.936 0.277 1.00 0.00 H new ATOM 0 HD2 TYR A 11 6.985 21.405 -3.403 1.00 0.00 H new ATOM 0 HE1 TYR A 11 3.751 23.160 -0.065 1.00 0.00 H new ATOM 0 HE2 TYR A 11 5.935 23.629 -3.742 1.00 0.00 H new ATOM 0 HH TYR A 11 4.391 25.343 -1.380 1.00 0.00 H new ATOM 141 N SER A 12 7.743 17.586 0.869 1.00 0.00 N ATOM 142 CA SER A 12 7.935 16.193 1.238 1.00 0.00 C ATOM 143 C SER A 12 6.942 15.389 0.434 1.00 0.00 C ATOM 144 O SER A 12 5.864 15.894 0.127 1.00 0.00 O ATOM 145 CB SER A 12 7.681 16.023 2.739 1.00 0.00 C ATOM 146 OG SER A 12 6.384 16.464 3.082 1.00 0.00 O ATOM 0 H SER A 12 7.210 18.106 1.566 1.00 0.00 H new ATOM 0 HA SER A 12 8.952 15.858 1.032 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.799 14.975 3.016 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.423 16.587 3.304 1.00 0.00 H new ATOM 0 HG SER A 12 6.242 16.345 4.044 1.00 0.00 H new ATOM 152 N ALA A 13 7.307 14.147 0.085 1.00 0.00 N ATOM 153 CA ALA A 13 6.417 13.250 -0.638 1.00 0.00 C ATOM 154 C ALA A 13 5.109 13.138 0.149 1.00 0.00 C ATOM 155 O ALA A 13 4.065 12.826 -0.420 1.00 0.00 O ATOM 156 CB ALA A 13 7.073 11.874 -0.774 1.00 0.00 C ATOM 0 H ALA A 13 8.221 13.746 0.297 1.00 0.00 H new ATOM 0 HA ALA A 13 6.216 13.636 -1.637 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.405 11.204 -1.316 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.011 11.971 -1.321 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.271 11.466 0.217 1.00 0.00 H new ATOM 162 N SER A 14 5.188 13.415 1.461 1.00 0.00 N ATOM 163 CA SER A 14 4.050 13.372 2.359 1.00 0.00 C ATOM 164 C SER A 14 3.072 14.495 2.003 1.00 0.00 C ATOM 165 O SER A 14 1.874 14.246 1.943 1.00 0.00 O ATOM 166 CB SER A 14 4.529 13.473 3.810 1.00 0.00 C ATOM 167 OG SER A 14 3.425 13.392 4.686 1.00 0.00 O ATOM 0 H SER A 14 6.060 13.677 1.921 1.00 0.00 H new ATOM 0 HA SER A 14 3.525 12.423 2.249 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.235 12.671 4.026 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.058 14.414 3.963 1.00 0.00 H new ATOM 0 HG SER A 14 3.737 13.456 5.613 1.00 0.00 H new ATOM 173 N GLN A 15 3.572 15.715 1.755 1.00 0.00 N ATOM 174 CA GLN A 15 2.765 16.886 1.426 1.00 0.00 C ATOM 175 C GLN A 15 2.102 16.837 0.056 1.00 0.00 C ATOM 176 O GLN A 15 0.945 17.234 -0.071 1.00 0.00 O ATOM 177 CB GLN A 15 3.598 18.163 1.588 1.00 0.00 C ATOM 178 CG GLN A 15 3.713 18.523 3.072 1.00 0.00 C ATOM 179 CD GLN A 15 2.435 19.175 3.598 1.00 0.00 C ATOM 180 OE1 GLN A 15 1.665 18.546 4.321 1.00 0.00 O ATOM 181 NE2 GLN A 15 2.207 20.442 3.237 1.00 0.00 N ATOM 0 H GLN A 15 4.572 15.913 1.780 1.00 0.00 H new ATOM 0 HA GLN A 15 1.939 16.888 2.137 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.591 18.017 1.162 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.133 18.983 1.040 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.926 17.623 3.649 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.554 19.201 3.217 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.872 20.928 2.635 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.368 20.922 3.563 1.00 0.00 H new ATOM 190 N VAL A 16 2.820 16.357 -0.963 1.00 0.00 N ATOM 191 CA VAL A 16 2.317 16.264 -2.324 1.00 0.00 C ATOM 192 C VAL A 16 1.111 15.317 -2.290 1.00 0.00 C ATOM 193 O VAL A 16 0.013 15.680 -2.715 1.00 0.00 O ATOM 194 CB VAL A 16 3.428 15.772 -3.277 1.00 0.00 C ATOM 195 CG1 VAL A 16 3.174 16.170 -4.734 1.00 0.00 C ATOM 196 CG2 VAL A 16 4.799 16.352 -2.910 1.00 0.00 C ATOM 0 H VAL A 16 3.777 16.020 -0.858 1.00 0.00 H new ATOM 0 HA VAL A 16 2.006 17.237 -2.704 1.00 0.00 H new ATOM 0 HB VAL A 16 3.418 14.687 -3.170 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.986 15.798 -5.359 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.231 15.739 -5.070 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.124 17.256 -4.811 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.550 15.979 -3.606 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.761 17.440 -2.966 1.00 0.00 H new ATOM 0 HG23 VAL A 16 5.062 16.050 -1.896 1.00 0.00 H new ATOM 206 N ARG A 17 1.333 14.107 -1.756 1.00 0.00 N ATOM 207 CA ARG A 17 0.337 13.053 -1.646 1.00 0.00 C ATOM 208 C ARG A 17 -0.787 13.418 -0.674 1.00 0.00 C ATOM 209 O ARG A 17 -1.928 13.035 -0.916 1.00 0.00 O ATOM 210 CB ARG A 17 1.010 11.740 -1.227 1.00 0.00 C ATOM 211 CG ARG A 17 1.984 11.229 -2.298 1.00 0.00 C ATOM 212 CD ARG A 17 2.744 9.994 -1.798 1.00 0.00 C ATOM 213 NE ARG A 17 1.841 8.861 -1.554 1.00 0.00 N ATOM 214 CZ ARG A 17 1.604 7.832 -2.386 1.00 0.00 C ATOM 215 NH1 ARG A 17 2.204 7.734 -3.582 1.00 0.00 N ATOM 216 NH2 ARG A 17 0.742 6.877 -2.010 1.00 0.00 N ATOM 0 H ARG A 17 2.241 13.835 -1.380 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.121 12.927 -2.627 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.547 11.890 -0.290 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.247 10.984 -1.040 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.435 10.981 -3.206 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.691 12.016 -2.558 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.496 9.708 -2.533 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.274 10.241 -0.878 1.00 0.00 H new ATOM 0 HE ARG A 17 1.344 8.855 -0.663 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.862 8.453 -3.883 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.002 6.940 -4.190 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.277 6.938 -1.104 1.00 0.00 H new ATOM 0 HH22 ARG A 17 0.551 6.090 -2.630 1.00 0.00 H new ATOM 230 N ALA A 18 -0.489 14.146 0.415 1.00 0.00 N ATOM 231 CA ALA A 18 -1.506 14.548 1.385 1.00 0.00 C ATOM 232 C ALA A 18 -2.488 15.515 0.731 1.00 0.00 C ATOM 233 O ALA A 18 -3.697 15.375 0.908 1.00 0.00 O ATOM 234 CB ALA A 18 -0.877 15.176 2.629 1.00 0.00 C ATOM 0 H ALA A 18 0.453 14.466 0.641 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.043 13.656 1.708 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.662 15.463 3.328 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.213 14.454 3.105 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.307 16.059 2.342 1.00 0.00 H new ATOM 240 N ALA A 19 -1.962 16.485 -0.027 1.00 0.00 N ATOM 241 CA ALA A 19 -2.768 17.465 -0.731 1.00 0.00 C ATOM 242 C ALA A 19 -3.670 16.770 -1.752 1.00 0.00 C ATOM 243 O ALA A 19 -4.806 17.192 -1.950 1.00 0.00 O ATOM 244 CB ALA A 19 -1.871 18.515 -1.386 1.00 0.00 C ATOM 0 H ALA A 19 -0.958 16.605 -0.164 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.412 17.981 -0.019 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.488 19.244 -1.911 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.284 19.021 -0.620 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.201 18.030 -2.095 1.00 0.00 H new ATOM 250 N ALA A 20 -3.180 15.701 -2.395 1.00 0.00 N ATOM 251 CA ALA A 20 -3.984 14.970 -3.363 1.00 0.00 C ATOM 252 C ALA A 20 -5.050 14.117 -2.698 1.00 0.00 C ATOM 253 O ALA A 20 -6.166 14.051 -3.207 1.00 0.00 O ATOM 254 CB ALA A 20 -3.104 14.171 -4.321 1.00 0.00 C ATOM 0 H ALA A 20 -2.239 15.332 -2.259 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.522 15.704 -3.962 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.733 13.636 -5.032 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.443 14.850 -4.860 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.506 13.456 -3.756 1.00 0.00 H new ATOM 260 N ASN A 21 -4.723 13.459 -1.583 1.00 0.00 N ATOM 261 CA ASN A 21 -5.689 12.660 -0.851 1.00 0.00 C ATOM 262 C ASN A 21 -6.765 13.594 -0.273 1.00 0.00 C ATOM 263 O ASN A 21 -7.879 13.157 0.021 1.00 0.00 O ATOM 264 CB ASN A 21 -4.968 11.895 0.265 1.00 0.00 C ATOM 265 CG ASN A 21 -5.921 10.984 1.038 1.00 0.00 C ATOM 266 OD1 ASN A 21 -6.272 9.906 0.562 1.00 0.00 O ATOM 267 ND2 ASN A 21 -6.338 11.412 2.233 1.00 0.00 N ATOM 0 H ASN A 21 -3.790 13.469 -1.172 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.168 11.936 -1.510 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.164 11.298 -0.165 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.506 12.604 0.952 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.972 10.837 2.788 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.022 12.314 2.591 1.00 0.00 H new ATOM 274 N ALA A 22 -6.443 14.892 -0.136 1.00 0.00 N ATOM 275 CA ALA A 22 -7.357 15.866 0.439 1.00 0.00 C ATOM 276 C ALA A 22 -8.359 16.183 -0.658 1.00 0.00 C ATOM 277 O ALA A 22 -9.553 15.936 -0.492 1.00 0.00 O ATOM 278 CB ALA A 22 -6.583 17.083 0.941 1.00 0.00 C ATOM 0 H ALA A 22 -5.545 15.283 -0.422 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.886 15.493 1.316 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.278 17.805 1.369 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.869 16.771 1.703 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.049 17.543 0.110 1.00 0.00 H new ATOM 284 N ALA A 23 -7.849 16.741 -1.763 1.00 0.00 N ATOM 285 CA ALA A 23 -8.632 17.059 -2.950 1.00 0.00 C ATOM 286 C ALA A 23 -9.539 15.881 -3.338 1.00 0.00 C ATOM 287 O ALA A 23 -10.706 16.089 -3.645 1.00 0.00 O ATOM 288 CB ALA A 23 -7.688 17.376 -4.110 1.00 0.00 C ATOM 0 H ALA A 23 -6.863 16.986 -1.853 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.259 17.923 -2.731 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.272 17.614 -4.999 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.062 18.229 -3.847 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.056 16.511 -4.312 1.00 0.00 H new ATOM 294 N CYS A 24 -8.992 14.655 -3.310 1.00 0.00 N ATOM 295 CA CYS A 24 -9.673 13.404 -3.624 1.00 0.00 C ATOM 296 C CYS A 24 -10.932 13.226 -2.773 1.00 0.00 C ATOM 297 O CYS A 24 -12.001 12.970 -3.320 1.00 0.00 O ATOM 298 CB CYS A 24 -8.690 12.241 -3.414 1.00 0.00 C ATOM 299 SG CYS A 24 -9.328 10.539 -3.484 1.00 0.00 S ATOM 0 H CYS A 24 -8.015 14.510 -3.054 1.00 0.00 H new ATOM 0 HA CYS A 24 -9.998 13.421 -4.664 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -7.905 12.331 -4.165 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -8.218 12.378 -2.441 1.00 0.00 H new ATOM 304 N GLN A 25 -10.834 13.367 -1.445 1.00 0.00 N ATOM 305 CA GLN A 25 -11.990 13.186 -0.575 1.00 0.00 C ATOM 306 C GLN A 25 -13.076 14.230 -0.840 1.00 0.00 C ATOM 307 O GLN A 25 -14.243 13.879 -0.999 1.00 0.00 O ATOM 308 CB GLN A 25 -11.556 13.245 0.895 1.00 0.00 C ATOM 309 CG GLN A 25 -10.769 12.000 1.323 1.00 0.00 C ATOM 310 CD GLN A 25 -11.631 10.740 1.333 1.00 0.00 C ATOM 311 OE1 GLN A 25 -11.397 9.821 0.550 1.00 0.00 O ATOM 312 NE2 GLN A 25 -12.624 10.692 2.223 1.00 0.00 N ATOM 0 H GLN A 25 -9.970 13.604 -0.958 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.414 12.206 -0.794 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.943 14.132 1.055 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -12.438 13.349 1.527 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -9.927 11.855 0.646 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.354 12.161 2.318 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.782 11.478 2.854 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.225 9.869 2.273 1.00 0.00 H new ATOM 321 N TYR A 26 -12.689 15.508 -0.905 1.00 0.00 N ATOM 322 CA TYR A 26 -13.629 16.609 -1.105 1.00 0.00 C ATOM 323 C TYR A 26 -14.262 16.635 -2.495 1.00 0.00 C ATOM 324 O TYR A 26 -15.414 17.030 -2.630 1.00 0.00 O ATOM 325 CB TYR A 26 -12.957 17.952 -0.784 1.00 0.00 C ATOM 326 CG TYR A 26 -12.189 17.967 0.527 1.00 0.00 C ATOM 327 CD1 TYR A 26 -12.798 17.507 1.711 1.00 0.00 C ATOM 328 CD2 TYR A 26 -10.867 18.450 0.567 1.00 0.00 C ATOM 329 CE1 TYR A 26 -12.082 17.511 2.921 1.00 0.00 C ATOM 330 CE2 TYR A 26 -10.161 18.474 1.782 1.00 0.00 C ATOM 331 CZ TYR A 26 -10.763 17.993 2.957 1.00 0.00 C ATOM 332 OH TYR A 26 -10.072 18.004 4.136 1.00 0.00 O ATOM 0 H TYR A 26 -11.717 15.805 -0.820 1.00 0.00 H new ATOM 0 HA TYR A 26 -14.451 16.439 -0.409 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -12.275 18.207 -1.595 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -13.720 18.729 -0.754 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -13.817 17.150 1.689 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -10.395 18.803 -0.338 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -12.547 17.143 3.824 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -9.154 18.863 1.813 1.00 0.00 H new ATOM 0 HH TYR A 26 -9.174 18.367 3.986 1.00 0.00 H new ATOM 342 N TYR A 27 -13.539 16.204 -3.531 1.00 0.00 N ATOM 343 CA TYR A 27 -14.035 16.227 -4.895 1.00 0.00 C ATOM 344 C TYR A 27 -15.252 15.308 -5.070 1.00 0.00 C ATOM 345 O TYR A 27 -16.187 15.684 -5.777 1.00 0.00 O ATOM 346 CB TYR A 27 -12.869 15.956 -5.863 1.00 0.00 C ATOM 347 CG TYR A 27 -13.184 16.083 -7.345 1.00 0.00 C ATOM 348 CD1 TYR A 27 -14.089 15.190 -7.957 1.00 0.00 C ATOM 349 CD2 TYR A 27 -12.569 17.084 -8.129 1.00 0.00 C ATOM 350 CE1 TYR A 27 -14.405 15.306 -9.320 1.00 0.00 C ATOM 351 CE2 TYR A 27 -12.887 17.182 -9.489 1.00 0.00 C ATOM 352 CZ TYR A 27 -13.804 16.311 -10.090 1.00 0.00 C ATOM 353 OH TYR A 27 -14.100 16.450 -11.415 1.00 0.00 O ATOM 0 H TYR A 27 -12.594 15.831 -3.440 1.00 0.00 H new ATOM 0 HA TYR A 27 -14.419 17.217 -5.142 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -12.059 16.645 -5.625 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.496 14.949 -5.677 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -14.545 14.407 -7.369 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -11.861 17.767 -7.684 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -15.109 14.623 -9.773 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -12.414 17.946 -10.088 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.590 17.200 -11.787 1.00 0.00 H new ATOM 363 N GLN A 28 -15.260 14.127 -4.432 1.00 0.00 N ATOM 364 CA GLN A 28 -16.365 13.176 -4.555 1.00 0.00 C ATOM 365 C GLN A 28 -17.362 13.189 -3.393 1.00 0.00 C ATOM 366 O GLN A 28 -18.568 13.259 -3.630 1.00 0.00 O ATOM 367 CB GLN A 28 -15.856 11.734 -4.681 1.00 0.00 C ATOM 368 CG GLN A 28 -14.979 11.466 -5.907 1.00 0.00 C ATOM 369 CD GLN A 28 -13.506 11.453 -5.528 1.00 0.00 C ATOM 370 OE1 GLN A 28 -13.050 10.538 -4.845 1.00 0.00 O ATOM 371 NE2 GLN A 28 -12.760 12.468 -5.961 1.00 0.00 N ATOM 0 H GLN A 28 -14.506 13.811 -3.823 1.00 0.00 H new ATOM 0 HA GLN A 28 -16.881 13.509 -5.456 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -15.288 11.485 -3.785 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -16.714 11.062 -4.712 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -15.252 10.510 -6.353 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -15.158 12.232 -6.662 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -13.181 13.206 -6.526 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -11.768 12.507 -5.728 1.00 0.00 H new ATOM 380 N ASN A 29 -16.878 13.132 -2.147 1.00 0.00 N ATOM 381 CA ASN A 29 -17.731 13.062 -0.968 1.00 0.00 C ATOM 382 C ASN A 29 -18.416 14.365 -0.565 1.00 0.00 C ATOM 383 O ASN A 29 -19.613 14.344 -0.282 1.00 0.00 O ATOM 384 CB ASN A 29 -16.945 12.482 0.218 1.00 0.00 C ATOM 385 CG ASN A 29 -16.243 11.167 -0.126 1.00 0.00 C ATOM 386 OD1 ASN A 29 -15.016 11.104 -0.164 1.00 0.00 O ATOM 387 ND2 ASN A 29 -17.023 10.112 -0.373 1.00 0.00 N ATOM 0 H ASN A 29 -15.881 13.133 -1.934 1.00 0.00 H new ATOM 0 HA ASN A 29 -18.549 12.401 -1.254 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -16.203 13.210 0.548 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -17.625 12.318 1.054 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -16.604 9.211 -0.604 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -18.038 10.207 -0.331 1.00 0.00 H new ATOM 394 N ASP A 30 -17.691 15.490 -0.544 1.00 0.00 N ATOM 395 CA ASP A 30 -18.270 16.761 -0.128 1.00 0.00 C ATOM 396 C ASP A 30 -17.459 17.925 -0.679 1.00 0.00 C ATOM 397 O ASP A 30 -16.472 18.351 -0.077 1.00 0.00 O ATOM 398 CB ASP A 30 -18.337 16.802 1.405 1.00 0.00 C ATOM 399 CG ASP A 30 -18.865 18.134 1.936 1.00 0.00 C ATOM 400 OD1 ASP A 30 -20.005 18.486 1.562 1.00 0.00 O ATOM 401 OD2 ASP A 30 -18.116 18.776 2.705 1.00 0.00 O ATOM 0 H ASP A 30 -16.708 15.540 -0.810 1.00 0.00 H new ATOM 0 HA ASP A 30 -19.280 16.853 -0.528 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -18.978 15.995 1.758 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -17.343 16.621 1.813 1.00 0.00 H new ATOM 406 N ASP A 31 -17.892 18.430 -1.837 1.00 0.00 N ATOM 407 CA ASP A 31 -17.254 19.549 -2.505 1.00 0.00 C ATOM 408 C ASP A 31 -17.491 20.836 -1.729 1.00 0.00 C ATOM 409 O ASP A 31 -18.580 21.407 -1.767 1.00 0.00 O ATOM 410 CB ASP A 31 -17.734 19.716 -3.940 1.00 0.00 C ATOM 411 CG ASP A 31 -17.499 18.479 -4.808 1.00 0.00 C ATOM 412 OD1 ASP A 31 -18.111 17.433 -4.497 1.00 0.00 O ATOM 413 OD2 ASP A 31 -16.716 18.606 -5.776 1.00 0.00 O ATOM 0 H ASP A 31 -18.703 18.065 -2.336 1.00 0.00 H new ATOM 0 HA ASP A 31 -16.186 19.333 -2.538 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -18.799 19.949 -3.934 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -17.223 20.568 -4.389 1.00 0.00 H new ATOM 418 N THR A 32 -16.423 21.257 -1.051 1.00 0.00 N ATOM 419 CA THR A 32 -16.291 22.429 -0.196 1.00 0.00 C ATOM 420 C THR A 32 -15.030 22.334 0.666 1.00 0.00 C ATOM 421 O THR A 32 -15.079 21.929 1.826 1.00 0.00 O ATOM 422 CB THR A 32 -17.559 22.822 0.587 1.00 0.00 C ATOM 423 OG1 THR A 32 -17.273 23.908 1.443 1.00 0.00 O ATOM 424 CG2 THR A 32 -18.135 21.676 1.410 1.00 0.00 C ATOM 0 H THR A 32 -15.548 20.734 -1.093 1.00 0.00 H new ATOM 0 HA THR A 32 -16.167 23.278 -0.868 1.00 0.00 H new ATOM 0 HB THR A 32 -18.310 23.098 -0.153 1.00 0.00 H new ATOM 0 HG1 THR A 32 -18.082 24.156 1.938 1.00 0.00 H new ATOM 0 HG21 THR A 32 -19.026 22.018 1.937 1.00 0.00 H new ATOM 0 HG22 THR A 32 -18.399 20.850 0.749 1.00 0.00 H new ATOM 0 HG23 THR A 32 -17.393 21.339 2.134 1.00 0.00 H new ATOM 432 N ALA A 33 -13.894 22.727 0.078 1.00 0.00 N ATOM 433 CA ALA A 33 -12.580 22.743 0.704 1.00 0.00 C ATOM 434 C ALA A 33 -11.597 23.316 -0.312 1.00 0.00 C ATOM 435 O ALA A 33 -11.209 22.626 -1.253 1.00 0.00 O ATOM 436 CB ALA A 33 -12.155 21.333 1.115 1.00 0.00 C ATOM 0 H ALA A 33 -13.872 23.055 -0.888 1.00 0.00 H new ATOM 0 HA ALA A 33 -12.601 23.352 1.608 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -11.170 21.371 1.580 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -12.876 20.928 1.825 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -12.115 20.693 0.233 1.00 0.00 H new ATOM 442 N GLY A 34 -11.205 24.580 -0.125 1.00 0.00 N ATOM 443 CA GLY A 34 -10.287 25.281 -1.004 1.00 0.00 C ATOM 444 C GLY A 34 -10.544 26.782 -0.942 1.00 0.00 C ATOM 445 O GLY A 34 -11.427 27.237 -0.215 1.00 0.00 O ATOM 0 H GLY A 34 -11.527 25.148 0.658 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.258 25.068 -0.713 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.408 24.926 -2.027 1.00 0.00 H new ATOM 449 N SER A 35 -9.766 27.539 -1.726 1.00 0.00 N ATOM 450 CA SER A 35 -9.828 28.993 -1.810 1.00 0.00 C ATOM 451 C SER A 35 -11.256 29.497 -2.039 1.00 0.00 C ATOM 452 O SER A 35 -11.727 30.353 -1.292 1.00 0.00 O ATOM 453 CB SER A 35 -8.885 29.481 -2.916 1.00 0.00 C ATOM 454 OG SER A 35 -7.562 29.062 -2.653 1.00 0.00 O ATOM 0 H SER A 35 -9.055 27.137 -2.337 1.00 0.00 H new ATOM 0 HA SER A 35 -9.505 29.405 -0.854 1.00 0.00 H new ATOM 0 HB2 SER A 35 -9.212 29.092 -3.880 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.923 30.568 -2.982 1.00 0.00 H new ATOM 0 HG SER A 35 -6.970 29.379 -3.367 1.00 0.00 H new ATOM 460 N SER A 36 -11.940 28.961 -3.057 1.00 0.00 N ATOM 461 CA SER A 36 -13.302 29.336 -3.405 1.00 0.00 C ATOM 462 C SER A 36 -13.873 28.285 -4.353 1.00 0.00 C ATOM 463 O SER A 36 -14.862 27.630 -4.030 1.00 0.00 O ATOM 464 CB SER A 36 -13.330 30.734 -4.041 1.00 0.00 C ATOM 465 OG SER A 36 -14.641 31.052 -4.458 1.00 0.00 O ATOM 0 H SER A 36 -11.550 28.243 -3.668 1.00 0.00 H new ATOM 0 HA SER A 36 -13.916 29.377 -2.506 1.00 0.00 H new ATOM 0 HB2 SER A 36 -12.979 31.475 -3.323 1.00 0.00 H new ATOM 0 HB3 SER A 36 -12.651 30.768 -4.893 1.00 0.00 H new ATOM 0 HG SER A 36 -14.649 31.946 -4.860 1.00 0.00 H new ATOM 471 N THR A 37 -13.236 28.141 -5.521 1.00 0.00 N ATOM 472 CA THR A 37 -13.616 27.210 -6.568 1.00 0.00 C ATOM 473 C THR A 37 -12.391 26.369 -6.931 1.00 0.00 C ATOM 474 O THR A 37 -11.746 26.585 -7.948 1.00 0.00 O ATOM 475 CB THR A 37 -14.276 27.979 -7.730 1.00 0.00 C ATOM 476 OG1 THR A 37 -14.706 27.077 -8.727 1.00 0.00 O ATOM 477 CG2 THR A 37 -13.414 29.083 -8.358 1.00 0.00 C ATOM 0 H THR A 37 -12.413 28.693 -5.763 1.00 0.00 H new ATOM 0 HA THR A 37 -14.378 26.501 -6.244 1.00 0.00 H new ATOM 0 HB THR A 37 -15.124 28.497 -7.282 1.00 0.00 H new ATOM 0 HG1 THR A 37 -15.125 27.575 -9.460 1.00 0.00 H new ATOM 0 HG21 THR A 37 -13.968 29.563 -9.165 1.00 0.00 H new ATOM 0 HG22 THR A 37 -13.163 29.824 -7.599 1.00 0.00 H new ATOM 0 HG23 THR A 37 -12.498 28.647 -8.756 1.00 0.00 H new ATOM 485 N TYR A 38 -12.082 25.412 -6.052 1.00 0.00 N ATOM 486 CA TYR A 38 -10.999 24.435 -6.106 1.00 0.00 C ATOM 487 C TYR A 38 -11.506 23.328 -5.187 1.00 0.00 C ATOM 488 O TYR A 38 -11.596 23.547 -3.980 1.00 0.00 O ATOM 489 CB TYR A 38 -9.683 25.042 -5.575 1.00 0.00 C ATOM 490 CG TYR A 38 -9.066 26.143 -6.427 1.00 0.00 C ATOM 491 CD1 TYR A 38 -9.525 27.468 -6.298 1.00 0.00 C ATOM 492 CD2 TYR A 38 -8.031 25.856 -7.341 1.00 0.00 C ATOM 493 CE1 TYR A 38 -8.975 28.491 -7.088 1.00 0.00 C ATOM 494 CE2 TYR A 38 -7.481 26.878 -8.131 1.00 0.00 C ATOM 495 CZ TYR A 38 -7.961 28.194 -8.014 1.00 0.00 C ATOM 496 OH TYR A 38 -7.435 29.185 -8.789 1.00 0.00 O ATOM 0 H TYR A 38 -12.639 25.293 -5.206 1.00 0.00 H new ATOM 0 HA TYR A 38 -10.772 24.089 -7.114 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -9.866 25.441 -4.577 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -8.953 24.240 -5.468 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -10.305 27.699 -5.587 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -7.660 24.846 -7.434 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -9.331 29.505 -6.984 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.688 26.653 -8.829 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.479 30.036 -8.306 1.00 0.00 H new ATOM 506 N PRO A 39 -11.852 22.147 -5.715 1.00 0.00 N ATOM 507 CA PRO A 39 -11.751 21.743 -7.113 1.00 0.00 C ATOM 508 C PRO A 39 -12.688 22.457 -8.099 1.00 0.00 C ATOM 509 O PRO A 39 -13.836 22.756 -7.778 1.00 0.00 O ATOM 510 CB PRO A 39 -12.002 20.242 -7.094 1.00 0.00 C ATOM 511 CG PRO A 39 -12.896 20.023 -5.878 1.00 0.00 C ATOM 512 CD PRO A 39 -12.368 21.063 -4.898 1.00 0.00 C ATOM 0 HA PRO A 39 -10.771 22.027 -7.495 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -12.489 19.909 -8.010 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -11.070 19.684 -7.007 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -13.948 20.182 -6.113 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -12.807 19.011 -5.484 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -13.159 21.414 -4.236 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -11.586 20.643 -4.265 1.00 0.00 H new ATOM 520 N HIS A 40 -12.155 22.729 -9.303 1.00 0.00 N ATOM 521 CA HIS A 40 -12.818 23.363 -10.441 1.00 0.00 C ATOM 522 C HIS A 40 -12.089 22.999 -11.738 1.00 0.00 C ATOM 523 O HIS A 40 -10.885 22.739 -11.714 1.00 0.00 O ATOM 524 CB HIS A 40 -12.865 24.881 -10.293 1.00 0.00 C ATOM 525 CG HIS A 40 -11.544 25.556 -10.572 1.00 0.00 C ATOM 526 ND1 HIS A 40 -11.430 26.643 -11.423 1.00 0.00 N ATOM 527 CD2 HIS A 40 -10.265 25.306 -10.133 1.00 0.00 C ATOM 528 CE1 HIS A 40 -10.132 26.988 -11.459 1.00 0.00 C ATOM 529 NE2 HIS A 40 -9.369 26.212 -10.688 1.00 0.00 N ATOM 0 H HIS A 40 -11.185 22.494 -9.514 1.00 0.00 H new ATOM 0 HA HIS A 40 -13.843 22.994 -10.474 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -13.618 25.281 -10.972 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -13.184 25.129 -9.281 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -9.994 24.514 -9.450 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -9.747 27.807 -12.049 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -8.361 26.270 -10.540 1.00 0.00 H new ATOM 537 N THR A 41 -12.827 23.004 -12.858 1.00 0.00 N ATOM 538 CA THR A 41 -12.361 22.672 -14.203 1.00 0.00 C ATOM 539 C THR A 41 -10.986 23.240 -14.548 1.00 0.00 C ATOM 540 O THR A 41 -10.665 24.379 -14.212 1.00 0.00 O ATOM 541 CB THR A 41 -13.396 23.095 -15.254 1.00 0.00 C ATOM 542 OG1 THR A 41 -13.817 24.426 -15.034 1.00 0.00 O ATOM 543 CG2 THR A 41 -14.594 22.146 -15.234 1.00 0.00 C ATOM 0 H THR A 41 -13.816 23.253 -12.844 1.00 0.00 H new ATOM 0 HA THR A 41 -12.246 21.588 -14.215 1.00 0.00 H new ATOM 0 HB THR A 41 -12.927 23.043 -16.237 1.00 0.00 H new ATOM 0 HG1 THR A 41 -14.475 24.678 -15.715 1.00 0.00 H new ATOM 0 HG21 THR A 41 -15.319 22.460 -15.985 1.00 0.00 H new ATOM 0 HG22 THR A 41 -14.259 21.132 -15.454 1.00 0.00 H new ATOM 0 HG23 THR A 41 -15.060 22.168 -14.249 1.00 0.00 H new ATOM 551 N TYR A 42 -10.187 22.403 -15.223 1.00 0.00 N ATOM 552 CA TYR A 42 -8.840 22.710 -15.679 1.00 0.00 C ATOM 553 C TYR A 42 -8.664 22.136 -17.086 1.00 0.00 C ATOM 554 O TYR A 42 -7.789 21.306 -17.328 1.00 0.00 O ATOM 555 CB TYR A 42 -7.838 22.131 -14.671 1.00 0.00 C ATOM 556 CG TYR A 42 -6.394 22.536 -14.897 1.00 0.00 C ATOM 557 CD1 TYR A 42 -6.004 23.875 -14.717 1.00 0.00 C ATOM 558 CD2 TYR A 42 -5.441 21.579 -15.293 1.00 0.00 C ATOM 559 CE1 TYR A 42 -4.665 24.253 -14.911 1.00 0.00 C ATOM 560 CE2 TYR A 42 -4.102 21.957 -15.489 1.00 0.00 C ATOM 561 CZ TYR A 42 -3.711 23.292 -15.286 1.00 0.00 C ATOM 562 OH TYR A 42 -2.410 23.659 -15.462 1.00 0.00 O ATOM 0 H TYR A 42 -10.480 21.458 -15.472 1.00 0.00 H new ATOM 0 HA TYR A 42 -8.664 23.784 -15.735 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -8.134 22.441 -13.669 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -7.903 21.043 -14.701 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -6.736 24.615 -14.429 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -5.739 20.552 -15.446 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -4.369 25.282 -14.772 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -3.373 21.222 -15.796 1.00 0.00 H new ATOM 0 HH TYR A 42 -1.989 23.065 -16.118 1.00 0.00 H new ATOM 572 N ASN A 43 -9.515 22.587 -18.015 1.00 0.00 N ATOM 573 CA ASN A 43 -9.513 22.144 -19.403 1.00 0.00 C ATOM 574 C ASN A 43 -10.104 23.186 -20.363 1.00 0.00 C ATOM 575 O ASN A 43 -10.181 22.921 -21.561 1.00 0.00 O ATOM 576 CB ASN A 43 -10.254 20.800 -19.507 1.00 0.00 C ATOM 577 CG ASN A 43 -11.698 20.886 -19.012 1.00 0.00 C ATOM 578 OD1 ASN A 43 -12.605 21.172 -19.791 1.00 0.00 O ATOM 579 ND2 ASN A 43 -11.915 20.630 -17.718 1.00 0.00 N ATOM 0 H ASN A 43 -10.234 23.282 -17.814 1.00 0.00 H new ATOM 0 HA ASN A 43 -8.476 22.014 -19.713 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -10.249 20.465 -20.544 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -9.719 20.048 -18.927 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -12.863 20.668 -17.343 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -11.133 20.396 -17.106 1.00 0.00 H new ATOM 586 N ASN A 44 -10.507 24.365 -19.864 1.00 0.00 N ATOM 587 CA ASN A 44 -11.088 25.427 -20.676 1.00 0.00 C ATOM 588 C ASN A 44 -10.060 25.941 -21.688 1.00 0.00 C ATOM 589 O ASN A 44 -10.353 26.004 -22.881 1.00 0.00 O ATOM 590 CB ASN A 44 -11.597 26.548 -19.761 1.00 0.00 C ATOM 591 CG ASN A 44 -12.293 27.663 -20.541 1.00 0.00 C ATOM 592 OD1 ASN A 44 -12.936 27.411 -21.558 1.00 0.00 O ATOM 593 ND2 ASN A 44 -12.167 28.905 -20.068 1.00 0.00 N ATOM 0 H ASN A 44 -10.435 24.603 -18.875 1.00 0.00 H new ATOM 0 HA ASN A 44 -11.935 25.039 -21.242 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -12.291 26.131 -19.031 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -10.760 26.966 -19.203 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -12.612 29.683 -20.554 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -11.625 29.076 -19.221 1.00 0.00 H new ATOM 600 N TYR A 45 -8.870 26.310 -21.200 1.00 0.00 N ATOM 601 CA TYR A 45 -7.756 26.801 -21.997 1.00 0.00 C ATOM 602 C TYR A 45 -6.662 25.736 -22.000 1.00 0.00 C ATOM 603 O TYR A 45 -6.240 25.277 -20.940 1.00 0.00 O ATOM 604 CB TYR A 45 -7.220 28.120 -21.423 1.00 0.00 C ATOM 605 CG TYR A 45 -7.808 29.351 -22.079 1.00 0.00 C ATOM 606 CD1 TYR A 45 -9.002 29.916 -21.595 1.00 0.00 C ATOM 607 CD2 TYR A 45 -7.162 29.926 -23.191 1.00 0.00 C ATOM 608 CE1 TYR A 45 -9.546 31.054 -22.217 1.00 0.00 C ATOM 609 CE2 TYR A 45 -7.706 31.062 -23.813 1.00 0.00 C ATOM 610 CZ TYR A 45 -8.897 31.627 -23.327 1.00 0.00 C ATOM 611 OH TYR A 45 -9.418 32.734 -23.934 1.00 0.00 O ATOM 0 H TYR A 45 -8.656 26.271 -20.204 1.00 0.00 H new ATOM 0 HA TYR A 45 -8.089 26.996 -23.017 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -7.430 28.153 -20.354 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.136 28.141 -21.536 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -9.501 29.475 -20.745 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -6.247 29.493 -23.566 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -10.461 31.488 -21.843 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -7.209 31.501 -24.665 1.00 0.00 H new ATOM 0 HH TYR A 45 -8.843 32.998 -24.682 1.00 0.00 H new ATOM 621 N GLU A 46 -6.203 25.358 -23.200 1.00 0.00 N ATOM 622 CA GLU A 46 -5.156 24.367 -23.391 1.00 0.00 C ATOM 623 C GLU A 46 -3.786 25.041 -23.304 1.00 0.00 C ATOM 624 O GLU A 46 -3.677 26.265 -23.395 1.00 0.00 O ATOM 625 CB GLU A 46 -5.330 23.650 -24.738 1.00 0.00 C ATOM 626 CG GLU A 46 -6.665 22.897 -24.864 1.00 0.00 C ATOM 627 CD GLU A 46 -7.864 23.822 -25.071 1.00 0.00 C ATOM 628 OE1 GLU A 46 -7.867 24.530 -26.101 1.00 0.00 O ATOM 629 OE2 GLU A 46 -8.753 23.811 -24.191 1.00 0.00 O ATOM 0 H GLU A 46 -6.560 25.743 -24.075 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.228 23.617 -22.603 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.258 24.382 -25.542 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.510 22.945 -24.874 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.604 22.200 -25.700 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.825 22.302 -23.965 1.00 0.00 H new ATOM 636 N GLY A 47 -2.741 24.223 -23.136 1.00 0.00 N ATOM 637 CA GLY A 47 -1.359 24.652 -23.013 1.00 0.00 C ATOM 638 C GLY A 47 -0.748 23.864 -21.865 1.00 0.00 C ATOM 639 O GLY A 47 -0.021 22.899 -22.096 1.00 0.00 O ATOM 0 H GLY A 47 -2.847 23.210 -23.081 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.815 24.468 -23.939 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.304 25.723 -22.818 1.00 0.00 H new ATOM 643 N PHE A 48 -1.058 24.280 -20.631 1.00 0.00 N ATOM 644 CA PHE A 48 -0.581 23.624 -19.426 1.00 0.00 C ATOM 645 C PHE A 48 -1.569 22.516 -19.063 1.00 0.00 C ATOM 646 O PHE A 48 -2.530 22.733 -18.326 1.00 0.00 O ATOM 647 CB PHE A 48 -0.332 24.639 -18.296 1.00 0.00 C ATOM 648 CG PHE A 48 1.142 24.744 -17.972 1.00 0.00 C ATOM 649 CD1 PHE A 48 1.736 23.794 -17.119 1.00 0.00 C ATOM 650 CD2 PHE A 48 1.920 25.775 -18.528 1.00 0.00 C ATOM 651 CE1 PHE A 48 3.109 23.874 -16.829 1.00 0.00 C ATOM 652 CE2 PHE A 48 3.292 25.854 -18.237 1.00 0.00 C ATOM 653 CZ PHE A 48 3.887 24.897 -17.397 1.00 0.00 C ATOM 0 H PHE A 48 -1.652 25.089 -20.448 1.00 0.00 H new ATOM 0 HA PHE A 48 0.392 23.162 -19.596 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -0.713 25.617 -18.591 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.883 24.338 -17.405 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.137 23.005 -16.688 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.463 26.506 -19.179 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.565 23.150 -16.170 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.889 26.649 -18.658 1.00 0.00 H new ATOM 0 HZ PHE A 48 4.945 24.948 -17.187 1.00 0.00 H new ATOM 663 N ASP A 49 -1.312 21.325 -19.613 1.00 0.00 N ATOM 664 CA ASP A 49 -2.094 20.119 -19.414 1.00 0.00 C ATOM 665 C ASP A 49 -1.148 18.920 -19.471 1.00 0.00 C ATOM 666 O ASP A 49 -0.199 18.907 -20.255 1.00 0.00 O ATOM 667 CB ASP A 49 -3.223 20.032 -20.451 1.00 0.00 C ATOM 668 CG ASP A 49 -2.725 20.177 -21.890 1.00 0.00 C ATOM 669 OD1 ASP A 49 -2.310 19.143 -22.456 1.00 0.00 O ATOM 670 OD2 ASP A 49 -2.778 21.319 -22.399 1.00 0.00 O ATOM 0 H ASP A 49 -0.517 21.178 -20.235 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.579 20.131 -18.438 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.734 19.075 -20.344 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.958 20.811 -20.246 1.00 0.00 H new ATOM 675 N PHE A 50 -1.419 17.916 -18.631 1.00 0.00 N ATOM 676 CA PHE A 50 -0.632 16.697 -18.502 1.00 0.00 C ATOM 677 C PHE A 50 -1.241 15.584 -19.370 1.00 0.00 C ATOM 678 O PHE A 50 -2.440 15.628 -19.646 1.00 0.00 O ATOM 679 CB PHE A 50 -0.588 16.323 -17.011 1.00 0.00 C ATOM 680 CG PHE A 50 -0.357 17.515 -16.095 1.00 0.00 C ATOM 681 CD1 PHE A 50 0.944 18.001 -15.867 1.00 0.00 C ATOM 682 CD2 PHE A 50 -1.457 18.145 -15.482 1.00 0.00 C ATOM 683 CE1 PHE A 50 1.140 19.116 -15.030 1.00 0.00 C ATOM 684 CE2 PHE A 50 -1.260 19.253 -14.643 1.00 0.00 C ATOM 685 CZ PHE A 50 0.038 19.739 -14.417 1.00 0.00 C ATOM 0 H PHE A 50 -2.222 17.936 -18.002 1.00 0.00 H new ATOM 0 HA PHE A 50 0.388 16.844 -18.857 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.526 15.841 -16.737 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.205 15.592 -16.851 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.791 17.519 -16.333 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.456 17.774 -15.658 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.137 19.493 -14.858 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.106 19.731 -14.172 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.190 20.592 -13.772 1.00 0.00 H new ATOM 695 N PRO A 51 -0.446 14.593 -19.817 1.00 0.00 N ATOM 696 CA PRO A 51 -0.900 13.486 -20.651 1.00 0.00 C ATOM 697 C PRO A 51 -1.703 12.464 -19.837 1.00 0.00 C ATOM 698 O PRO A 51 -1.177 11.435 -19.417 1.00 0.00 O ATOM 699 CB PRO A 51 0.381 12.885 -21.236 1.00 0.00 C ATOM 700 CG PRO A 51 1.402 13.118 -20.124 1.00 0.00 C ATOM 701 CD PRO A 51 0.981 14.476 -19.564 1.00 0.00 C ATOM 0 HA PRO A 51 -1.581 13.813 -21.437 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.264 11.825 -21.462 1.00 0.00 H new ATOM 0 HB3 PRO A 51 0.673 13.379 -22.163 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.361 12.336 -19.365 1.00 0.00 H new ATOM 0 HG3 PRO A 51 2.422 13.136 -20.508 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.194 14.540 -18.497 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.530 15.284 -20.048 1.00 0.00 H new ATOM 709 N VAL A 52 -2.988 12.763 -19.629 1.00 0.00 N ATOM 710 CA VAL A 52 -3.950 11.945 -18.897 1.00 0.00 C ATOM 711 C VAL A 52 -5.337 12.159 -19.509 1.00 0.00 C ATOM 712 O VAL A 52 -5.517 13.051 -20.339 1.00 0.00 O ATOM 713 CB VAL A 52 -3.937 12.303 -17.391 1.00 0.00 C ATOM 714 CG1 VAL A 52 -2.983 11.397 -16.603 1.00 0.00 C ATOM 715 CG2 VAL A 52 -3.556 13.765 -17.122 1.00 0.00 C ATOM 0 H VAL A 52 -3.403 13.624 -19.985 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.680 10.892 -18.978 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.962 12.148 -17.054 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.001 11.678 -15.550 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.298 10.359 -16.707 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.971 11.509 -16.991 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.565 13.952 -16.048 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.558 13.959 -17.515 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.273 14.424 -17.611 1.00 0.00 H new ATOM 725 N ASP A 53 -6.315 11.333 -19.109 1.00 0.00 N ATOM 726 CA ASP A 53 -7.691 11.420 -19.580 1.00 0.00 C ATOM 727 C ASP A 53 -8.474 12.305 -18.610 1.00 0.00 C ATOM 728 O ASP A 53 -8.554 11.990 -17.425 1.00 0.00 O ATOM 729 CB ASP A 53 -8.305 10.020 -19.660 1.00 0.00 C ATOM 730 CG ASP A 53 -9.761 10.084 -20.113 1.00 0.00 C ATOM 731 OD1 ASP A 53 -9.969 10.266 -21.332 1.00 0.00 O ATOM 732 OD2 ASP A 53 -10.641 9.958 -19.234 1.00 0.00 O ATOM 0 H ASP A 53 -6.163 10.578 -18.440 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.725 11.856 -20.578 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.731 9.407 -20.355 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.245 9.537 -18.685 1.00 0.00 H new ATOM 737 N GLY A 54 -9.056 13.402 -19.112 1.00 0.00 N ATOM 738 CA GLY A 54 -9.816 14.350 -18.311 1.00 0.00 C ATOM 739 C GLY A 54 -11.258 13.908 -18.074 1.00 0.00 C ATOM 740 O GLY A 54 -11.651 12.824 -18.506 1.00 0.00 O ATOM 0 H GLY A 54 -9.007 13.653 -20.100 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.320 14.485 -17.350 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.816 15.320 -18.808 1.00 0.00 H new ATOM 744 N PRO A 55 -12.059 14.742 -17.388 1.00 0.00 N ATOM 745 CA PRO A 55 -11.696 16.045 -16.839 1.00 0.00 C ATOM 746 C PRO A 55 -10.731 15.968 -15.649 1.00 0.00 C ATOM 747 O PRO A 55 -10.579 14.923 -15.021 1.00 0.00 O ATOM 748 CB PRO A 55 -13.022 16.678 -16.404 1.00 0.00 C ATOM 749 CG PRO A 55 -13.915 15.480 -16.098 1.00 0.00 C ATOM 750 CD PRO A 55 -13.452 14.437 -17.114 1.00 0.00 C ATOM 0 HA PRO A 55 -11.163 16.627 -17.590 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.893 17.315 -15.529 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -13.445 17.301 -17.192 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -13.785 15.131 -15.074 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -14.971 15.722 -16.221 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -13.560 13.428 -16.716 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -14.049 14.486 -18.024 1.00 0.00 H new ATOM 758 N TYR A 56 -10.072 17.097 -15.361 1.00 0.00 N ATOM 759 CA TYR A 56 -9.126 17.289 -14.273 1.00 0.00 C ATOM 760 C TYR A 56 -9.451 18.634 -13.642 1.00 0.00 C ATOM 761 O TYR A 56 -9.987 19.515 -14.317 1.00 0.00 O ATOM 762 CB TYR A 56 -7.684 17.330 -14.804 1.00 0.00 C ATOM 763 CG TYR A 56 -7.456 16.855 -16.222 1.00 0.00 C ATOM 764 CD1 TYR A 56 -7.750 17.717 -17.296 1.00 0.00 C ATOM 765 CD2 TYR A 56 -6.946 15.569 -16.474 1.00 0.00 C ATOM 766 CE1 TYR A 56 -7.535 17.299 -18.618 1.00 0.00 C ATOM 767 CE2 TYR A 56 -6.733 15.153 -17.799 1.00 0.00 C ATOM 768 CZ TYR A 56 -7.027 16.015 -18.872 1.00 0.00 C ATOM 769 OH TYR A 56 -6.829 15.607 -20.157 1.00 0.00 O ATOM 0 H TYR A 56 -10.197 17.944 -15.916 1.00 0.00 H new ATOM 0 HA TYR A 56 -9.204 16.469 -13.559 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -7.326 18.357 -14.730 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -7.063 16.727 -14.142 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -8.143 18.704 -17.101 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -6.719 14.905 -15.653 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -7.760 17.964 -19.439 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -6.341 14.166 -17.995 1.00 0.00 H new ATOM 0 HH TYR A 56 -6.366 14.743 -20.158 1.00 0.00 H new ATOM 779 N GLN A 57 -9.113 18.786 -12.356 1.00 0.00 N ATOM 780 CA GLN A 57 -9.380 20.001 -11.604 1.00 0.00 C ATOM 781 C GLN A 57 -8.211 20.363 -10.690 1.00 0.00 C ATOM 782 O GLN A 57 -7.454 19.492 -10.258 1.00 0.00 O ATOM 783 CB GLN A 57 -10.703 19.837 -10.847 1.00 0.00 C ATOM 784 CG GLN A 57 -11.849 19.641 -11.863 1.00 0.00 C ATOM 785 CD GLN A 57 -13.263 19.973 -11.382 1.00 0.00 C ATOM 786 OE1 GLN A 57 -13.496 20.260 -10.212 1.00 0.00 O ATOM 787 NE2 GLN A 57 -14.224 19.931 -12.306 1.00 0.00 N ATOM 0 H GLN A 57 -8.645 18.061 -11.812 1.00 0.00 H new ATOM 0 HA GLN A 57 -9.483 20.842 -12.289 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -10.647 18.981 -10.174 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -10.894 20.715 -10.230 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -11.635 20.254 -12.738 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -11.837 18.602 -12.192 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -13.995 19.689 -13.270 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -15.188 20.141 -12.049 1.00 0.00 H new ATOM 796 N GLU A 58 -8.089 21.666 -10.397 1.00 0.00 N ATOM 797 CA GLU A 58 -7.016 22.214 -9.574 1.00 0.00 C ATOM 798 C GLU A 58 -7.279 22.145 -8.072 1.00 0.00 C ATOM 799 O GLU A 58 -8.403 21.935 -7.629 1.00 0.00 O ATOM 800 CB GLU A 58 -6.753 23.676 -9.951 1.00 0.00 C ATOM 801 CG GLU A 58 -6.401 23.857 -11.427 1.00 0.00 C ATOM 802 CD GLU A 58 -5.776 25.228 -11.673 1.00 0.00 C ATOM 803 OE1 GLU A 58 -6.554 26.177 -11.909 1.00 0.00 O ATOM 804 OE2 GLU A 58 -4.529 25.304 -11.612 1.00 0.00 O ATOM 0 H GLU A 58 -8.744 22.372 -10.732 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.149 21.586 -9.779 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.637 24.270 -9.718 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.938 24.063 -9.339 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.708 23.076 -11.738 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.299 23.748 -12.035 1.00 0.00 H new ATOM 811 N PHE A 59 -6.203 22.318 -7.298 1.00 0.00 N ATOM 812 CA PHE A 59 -6.188 22.331 -5.845 1.00 0.00 C ATOM 813 C PHE A 59 -4.883 23.039 -5.476 1.00 0.00 C ATOM 814 O PHE A 59 -3.815 22.468 -5.670 1.00 0.00 O ATOM 815 CB PHE A 59 -6.291 20.900 -5.321 1.00 0.00 C ATOM 816 CG PHE A 59 -6.532 20.825 -3.832 1.00 0.00 C ATOM 817 CD1 PHE A 59 -7.699 21.384 -3.273 1.00 0.00 C ATOM 818 CD2 PHE A 59 -5.595 20.186 -3.004 1.00 0.00 C ATOM 819 CE1 PHE A 59 -7.925 21.301 -1.888 1.00 0.00 C ATOM 820 CE2 PHE A 59 -5.829 20.099 -1.626 1.00 0.00 C ATOM 821 CZ PHE A 59 -6.994 20.648 -1.065 1.00 0.00 C ATOM 0 H PHE A 59 -5.275 22.459 -7.696 1.00 0.00 H new ATOM 0 HA PHE A 59 -7.030 22.856 -5.394 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -7.102 20.388 -5.839 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.372 20.366 -5.561 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -8.420 21.876 -3.909 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.697 19.763 -3.429 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -8.814 21.739 -1.458 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.109 19.606 -0.990 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.173 20.568 -0.003 1.00 0.00 H new ATOM 831 N PRO A 60 -4.908 24.261 -4.931 1.00 0.00 N ATOM 832 CA PRO A 60 -3.697 24.997 -4.651 1.00 0.00 C ATOM 833 C PRO A 60 -2.979 24.594 -3.360 1.00 0.00 C ATOM 834 O PRO A 60 -3.595 24.594 -2.296 1.00 0.00 O ATOM 835 CB PRO A 60 -4.160 26.445 -4.673 1.00 0.00 C ATOM 836 CG PRO A 60 -5.536 26.373 -4.013 1.00 0.00 C ATOM 837 CD PRO A 60 -6.067 25.029 -4.519 1.00 0.00 C ATOM 0 HA PRO A 60 -2.918 24.789 -5.385 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.481 27.095 -4.121 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -4.219 26.835 -5.689 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.468 26.401 -2.925 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -6.176 27.203 -4.313 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.619 24.510 -3.736 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.755 25.172 -5.352 1.00 0.00 H new ATOM 845 N ILE A 61 -1.679 24.253 -3.449 1.00 0.00 N ATOM 846 CA ILE A 61 -0.889 23.873 -2.286 1.00 0.00 C ATOM 847 C ILE A 61 -0.257 25.054 -1.604 1.00 0.00 C ATOM 848 O ILE A 61 -0.050 26.140 -2.143 1.00 0.00 O ATOM 849 CB ILE A 61 0.134 22.780 -2.553 1.00 0.00 C ATOM 850 CG1 ILE A 61 0.900 22.134 -1.380 1.00 0.00 C ATOM 851 CG2 ILE A 61 1.066 23.147 -3.709 1.00 0.00 C ATOM 852 CD1 ILE A 61 1.344 20.706 -1.716 1.00 0.00 C ATOM 0 H ILE A 61 -1.160 24.236 -4.327 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.616 23.440 -1.599 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.526 21.957 -2.828 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.773 22.740 -1.137 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.265 22.120 -0.494 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.782 22.341 -3.869 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.480 23.296 -4.616 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.601 24.065 -3.467 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.880 20.282 -0.867 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.468 20.094 -1.934 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.999 20.724 -2.587 1.00 0.00 H new ATOM 864 N LYS A 62 0.035 24.702 -0.370 1.00 0.00 N ATOM 865 CA LYS A 62 0.622 25.532 0.671 1.00 0.00 C ATOM 866 C LYS A 62 1.720 24.747 1.391 1.00 0.00 C ATOM 867 O LYS A 62 1.533 23.577 1.726 1.00 0.00 O ATOM 868 CB LYS A 62 -0.458 26.006 1.659 1.00 0.00 C ATOM 869 CG LYS A 62 -1.287 27.211 1.183 1.00 0.00 C ATOM 870 CD LYS A 62 -2.411 26.857 0.199 1.00 0.00 C ATOM 871 CE LYS A 62 -3.456 27.972 0.095 1.00 0.00 C ATOM 872 NZ LYS A 62 -2.881 29.199 -0.483 1.00 0.00 N ATOM 0 H LYS A 62 -0.145 23.754 -0.039 1.00 0.00 H new ATOM 0 HA LYS A 62 1.065 26.418 0.217 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.134 25.175 1.861 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.022 26.264 2.603 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.723 27.703 2.052 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.620 27.932 0.710 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.984 26.667 -0.786 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.896 25.935 0.519 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.290 27.634 -0.521 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.858 28.189 1.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.894 29.957 0.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.900 29.018 -0.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.442 29.490 -1.309 1.00 0.00 H new ATOM 886 N SER A 63 2.860 25.409 1.634 1.00 0.00 N ATOM 887 CA SER A 63 4.033 24.845 2.290 1.00 0.00 C ATOM 888 C SER A 63 3.911 25.004 3.808 1.00 0.00 C ATOM 889 O SER A 63 4.742 25.646 4.449 1.00 0.00 O ATOM 890 CB SER A 63 5.295 25.503 1.717 1.00 0.00 C ATOM 891 OG SER A 63 6.454 24.867 2.212 1.00 0.00 O ATOM 0 H SER A 63 2.988 26.385 1.367 1.00 0.00 H new ATOM 0 HA SER A 63 4.105 23.775 2.095 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.279 25.447 0.629 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.313 26.560 1.981 1.00 0.00 H new ATOM 0 HG SER A 63 6.480 24.948 3.188 1.00 0.00 H new ATOM 897 N GLY A 64 2.853 24.414 4.373 1.00 0.00 N ATOM 898 CA GLY A 64 2.577 24.441 5.799 1.00 0.00 C ATOM 899 C GLY A 64 1.158 23.955 6.082 1.00 0.00 C ATOM 900 O GLY A 64 0.413 24.620 6.798 1.00 0.00 O ATOM 0 H GLY A 64 2.157 23.897 3.836 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.294 23.811 6.325 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.703 25.455 6.180 1.00 0.00 H new ATOM 904 N GLY A 65 0.797 22.791 5.523 1.00 0.00 N ATOM 905 CA GLY A 65 -0.515 22.178 5.664 1.00 0.00 C ATOM 906 C GLY A 65 -1.358 22.432 4.415 1.00 0.00 C ATOM 907 O GLY A 65 -1.156 23.423 3.717 1.00 0.00 O ATOM 0 H GLY A 65 1.433 22.241 4.946 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.407 21.106 5.826 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.021 22.583 6.540 1.00 0.00 H new ATOM 911 N VAL A 66 -2.309 21.529 4.145 1.00 0.00 N ATOM 912 CA VAL A 66 -3.196 21.592 2.992 1.00 0.00 C ATOM 913 C VAL A 66 -4.263 22.678 3.182 1.00 0.00 C ATOM 914 O VAL A 66 -5.093 22.578 4.084 1.00 0.00 O ATOM 915 CB VAL A 66 -3.773 20.188 2.711 1.00 0.00 C ATOM 916 CG1 VAL A 66 -4.676 19.616 3.814 1.00 0.00 C ATOM 917 CG2 VAL A 66 -4.547 20.191 1.395 1.00 0.00 C ATOM 0 H VAL A 66 -2.482 20.719 4.740 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.639 21.889 2.103 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.901 19.536 2.665 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.029 18.628 3.519 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.111 19.537 4.743 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.530 20.276 3.964 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.949 19.196 1.207 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.366 20.908 1.456 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.879 20.472 0.581 1.00 0.00 H new ATOM 927 N TYR A 67 -4.229 23.718 2.331 1.00 0.00 N ATOM 928 CA TYR A 67 -5.140 24.860 2.349 1.00 0.00 C ATOM 929 C TYR A 67 -5.176 25.501 3.739 1.00 0.00 C ATOM 930 O TYR A 67 -6.126 25.304 4.496 1.00 0.00 O ATOM 931 CB TYR A 67 -6.529 24.481 1.803 1.00 0.00 C ATOM 932 CG TYR A 67 -7.552 25.606 1.873 1.00 0.00 C ATOM 933 CD1 TYR A 67 -7.260 26.871 1.326 1.00 0.00 C ATOM 934 CD2 TYR A 67 -8.795 25.389 2.496 1.00 0.00 C ATOM 935 CE1 TYR A 67 -8.200 27.912 1.410 1.00 0.00 C ATOM 936 CE2 TYR A 67 -9.736 26.430 2.579 1.00 0.00 C ATOM 937 CZ TYR A 67 -9.434 27.696 2.046 1.00 0.00 C ATOM 938 OH TYR A 67 -10.339 28.714 2.134 1.00 0.00 O ATOM 0 H TYR A 67 -3.536 23.782 1.585 1.00 0.00 H new ATOM 0 HA TYR A 67 -4.761 25.624 1.670 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -6.425 24.163 0.766 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -6.907 23.625 2.363 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -6.310 27.041 0.840 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -9.027 24.420 2.912 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -7.974 28.879 0.985 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -10.691 26.258 3.052 1.00 0.00 H new ATOM 0 HH TYR A 67 -11.000 28.627 1.416 1.00 0.00 H new ATOM 948 N THR A 68 -4.129 26.271 4.057 1.00 0.00 N ATOM 949 CA THR A 68 -3.963 26.950 5.335 1.00 0.00 C ATOM 950 C THR A 68 -3.415 28.365 5.124 1.00 0.00 C ATOM 951 O THR A 68 -2.310 28.684 5.562 1.00 0.00 O ATOM 952 CB THR A 68 -3.052 26.105 6.243 1.00 0.00 C ATOM 953 OG1 THR A 68 -1.835 25.833 5.578 1.00 0.00 O ATOM 954 CG2 THR A 68 -3.704 24.778 6.646 1.00 0.00 C ATOM 0 H THR A 68 -3.357 26.440 3.412 1.00 0.00 H new ATOM 0 HA THR A 68 -4.930 27.056 5.827 1.00 0.00 H new ATOM 0 HB THR A 68 -2.874 26.684 7.149 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.213 25.399 6.199 1.00 0.00 H new ATOM 0 HG21 THR A 68 -3.023 24.217 7.286 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.629 24.977 7.187 1.00 0.00 H new ATOM 0 HG23 THR A 68 -3.924 24.195 5.752 1.00 0.00 H new ATOM 962 N GLY A 69 -4.200 29.218 4.452 1.00 0.00 N ATOM 963 CA GLY A 69 -3.849 30.603 4.180 1.00 0.00 C ATOM 964 C GLY A 69 -2.821 30.722 3.056 1.00 0.00 C ATOM 965 O GLY A 69 -3.195 30.899 1.899 1.00 0.00 O ATOM 0 H GLY A 69 -5.111 28.952 4.079 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -4.747 31.159 3.910 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -3.451 31.061 5.086 1.00 0.00 H new ATOM 969 N GLY A 70 -1.531 30.638 3.409 1.00 0.00 N ATOM 970 CA GLY A 70 -0.415 30.748 2.482 1.00 0.00 C ATOM 971 C GLY A 70 -0.286 32.179 1.963 1.00 0.00 C ATOM 972 O GLY A 70 0.372 33.003 2.596 1.00 0.00 O ATOM 0 H GLY A 70 -1.236 30.488 4.374 1.00 0.00 H new ATOM 0 HA2 GLY A 70 0.508 30.451 2.979 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -0.561 30.064 1.646 1.00 0.00 H new ATOM 976 N SER A 71 -0.911 32.445 0.806 1.00 0.00 N ATOM 977 CA SER A 71 -0.957 33.724 0.105 1.00 0.00 C ATOM 978 C SER A 71 0.381 34.039 -0.587 1.00 0.00 C ATOM 979 O SER A 71 1.426 33.905 0.046 1.00 0.00 O ATOM 980 CB SER A 71 -1.403 34.859 1.039 1.00 0.00 C ATOM 981 OG SER A 71 -1.711 36.012 0.286 1.00 0.00 O ATOM 0 H SER A 71 -1.429 31.721 0.308 1.00 0.00 H new ATOM 0 HA SER A 71 -1.708 33.641 -0.681 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.275 34.547 1.614 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.613 35.083 1.755 1.00 0.00 H new ATOM 0 HG SER A 71 -1.996 36.730 0.889 1.00 0.00 H new ATOM 987 N PRO A 72 0.388 34.468 -1.865 1.00 0.00 N ATOM 988 CA PRO A 72 -0.750 34.591 -2.772 1.00 0.00 C ATOM 989 C PRO A 72 -1.330 33.226 -3.155 1.00 0.00 C ATOM 990 O PRO A 72 -2.536 33.016 -3.031 1.00 0.00 O ATOM 991 CB PRO A 72 -0.230 35.331 -4.014 1.00 0.00 C ATOM 992 CG PRO A 72 1.111 35.918 -3.575 1.00 0.00 C ATOM 993 CD PRO A 72 1.595 34.910 -2.538 1.00 0.00 C ATOM 0 HA PRO A 72 -1.563 35.134 -2.291 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -0.109 34.653 -4.859 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -0.921 36.112 -4.329 1.00 0.00 H new ATOM 0 HG2 PRO A 72 1.807 36.006 -4.409 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.997 36.915 -3.148 1.00 0.00 H new ATOM 0 HD2 PRO A 72 2.114 34.075 -3.009 1.00 0.00 H new ATOM 0 HD3 PRO A 72 2.295 35.367 -1.838 1.00 0.00 H new ATOM 1001 N GLY A 73 -0.469 32.309 -3.621 1.00 0.00 N ATOM 1002 CA GLY A 73 -0.838 30.959 -4.020 1.00 0.00 C ATOM 1003 C GLY A 73 -0.417 30.663 -5.458 1.00 0.00 C ATOM 1004 O GLY A 73 -1.270 30.397 -6.303 1.00 0.00 O ATOM 0 H GLY A 73 0.527 32.499 -3.730 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.370 30.240 -3.348 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.916 30.832 -3.922 1.00 0.00 H new ATOM 1008 N ALA A 74 0.893 30.719 -5.735 1.00 0.00 N ATOM 1009 CA ALA A 74 1.452 30.430 -7.051 1.00 0.00 C ATOM 1010 C ALA A 74 1.525 28.917 -7.240 1.00 0.00 C ATOM 1011 O ALA A 74 1.199 28.425 -8.316 1.00 0.00 O ATOM 1012 CB ALA A 74 2.857 31.032 -7.185 1.00 0.00 C ATOM 0 H ALA A 74 1.597 30.969 -5.040 1.00 0.00 H new ATOM 0 HA ALA A 74 0.811 30.872 -7.814 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.257 30.806 -8.173 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.804 32.113 -7.054 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.510 30.606 -6.423 1.00 0.00 H new ATOM 1018 N ASP A 75 1.943 28.205 -6.184 1.00 0.00 N ATOM 1019 CA ASP A 75 2.115 26.762 -6.138 1.00 0.00 C ATOM 1020 C ASP A 75 0.779 26.013 -6.167 1.00 0.00 C ATOM 1021 O ASP A 75 0.012 26.063 -5.204 1.00 0.00 O ATOM 1022 CB ASP A 75 2.951 26.416 -4.901 1.00 0.00 C ATOM 1023 CG ASP A 75 3.853 25.222 -5.182 1.00 0.00 C ATOM 1024 OD1 ASP A 75 3.309 24.119 -5.406 1.00 0.00 O ATOM 1025 OD2 ASP A 75 5.079 25.451 -5.174 1.00 0.00 O ATOM 0 H ASP A 75 2.180 28.651 -5.298 1.00 0.00 H new ATOM 0 HA ASP A 75 2.642 26.433 -7.034 1.00 0.00 H new ATOM 0 HB2 ASP A 75 3.556 27.276 -4.612 1.00 0.00 H new ATOM 0 HB3 ASP A 75 2.293 26.192 -4.061 1.00 0.00 H new ATOM 1030 N ARG A 76 0.519 25.309 -7.277 1.00 0.00 N ATOM 1031 CA ARG A 76 -0.709 24.559 -7.495 1.00 0.00 C ATOM 1032 C ARG A 76 -0.460 23.105 -7.880 1.00 0.00 C ATOM 1033 O ARG A 76 0.305 22.828 -8.803 1.00 0.00 O ATOM 1034 CB ARG A 76 -1.520 25.181 -8.650 1.00 0.00 C ATOM 1035 CG ARG A 76 -2.568 26.233 -8.268 1.00 0.00 C ATOM 1036 CD ARG A 76 -1.988 27.526 -7.683 1.00 0.00 C ATOM 1037 NE ARG A 76 -2.290 28.696 -8.516 1.00 0.00 N ATOM 1038 CZ ARG A 76 -3.509 29.242 -8.652 1.00 0.00 C ATOM 1039 NH1 ARG A 76 -4.567 28.730 -8.005 1.00 0.00 N ATOM 1040 NH2 ARG A 76 -3.673 30.309 -9.445 1.00 0.00 N ATOM 0 H ARG A 76 1.173 25.249 -8.058 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.245 24.598 -6.547 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.820 25.637 -9.350 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.025 24.376 -9.183 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.155 26.481 -9.153 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.254 25.797 -7.542 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.389 27.682 -6.682 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.908 27.424 -7.581 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.519 29.125 -9.028 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.451 27.916 -7.401 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.488 29.154 -8.117 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.874 30.703 -9.942 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.597 30.728 -9.552 1.00 0.00 H new ATOM 1054 N VAL A 77 -1.123 22.190 -7.164 1.00 0.00 N ATOM 1055 CA VAL A 77 -1.079 20.763 -7.436 1.00 0.00 C ATOM 1056 C VAL A 77 -2.386 20.527 -8.187 1.00 0.00 C ATOM 1057 O VAL A 77 -3.383 21.204 -7.939 1.00 0.00 O ATOM 1058 CB VAL A 77 -0.928 19.889 -6.190 1.00 0.00 C ATOM 1059 CG1 VAL A 77 0.506 20.000 -5.662 1.00 0.00 C ATOM 1060 CG2 VAL A 77 -1.936 20.179 -5.075 1.00 0.00 C ATOM 0 H VAL A 77 -1.713 22.432 -6.368 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.196 20.476 -8.007 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.147 18.869 -6.506 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.616 19.378 -4.774 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.203 19.664 -6.429 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.720 21.038 -5.407 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.751 19.511 -4.234 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.829 21.213 -4.747 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.948 20.020 -5.449 1.00 0.00 H new ATOM 1070 N VAL A 78 -2.400 19.568 -9.107 1.00 0.00 N ATOM 1071 CA VAL A 78 -3.576 19.314 -9.921 1.00 0.00 C ATOM 1072 C VAL A 78 -3.764 17.809 -10.096 1.00 0.00 C ATOM 1073 O VAL A 78 -2.797 17.088 -10.343 1.00 0.00 O ATOM 1074 CB VAL A 78 -3.376 20.099 -11.233 1.00 0.00 C ATOM 1075 CG1 VAL A 78 -4.506 19.864 -12.237 1.00 0.00 C ATOM 1076 CG2 VAL A 78 -3.238 21.617 -10.961 1.00 0.00 C ATOM 0 H VAL A 78 -1.609 18.956 -9.305 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.503 19.657 -9.461 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.452 19.722 -11.672 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.314 20.440 -13.142 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.557 18.804 -12.486 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.453 20.180 -11.799 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.098 22.144 -11.905 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.141 21.982 -10.471 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.378 21.794 -10.315 1.00 0.00 H new ATOM 1086 N ILE A 79 -5.016 17.344 -9.954 1.00 0.00 N ATOM 1087 CA ILE A 79 -5.382 15.937 -10.058 1.00 0.00 C ATOM 1088 C ILE A 79 -6.507 15.714 -11.072 1.00 0.00 C ATOM 1089 O ILE A 79 -7.188 16.649 -11.493 1.00 0.00 O ATOM 1090 CB ILE A 79 -5.738 15.366 -8.669 1.00 0.00 C ATOM 1091 CG1 ILE A 79 -7.063 15.902 -8.098 1.00 0.00 C ATOM 1092 CG2 ILE A 79 -4.591 15.632 -7.682 1.00 0.00 C ATOM 1093 CD1 ILE A 79 -7.548 15.024 -6.938 1.00 0.00 C ATOM 0 H ILE A 79 -5.811 17.953 -9.760 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.516 15.392 -10.433 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.878 14.294 -8.805 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.928 16.927 -7.753 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.819 15.927 -8.883 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -4.851 15.226 -6.704 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.681 15.153 -8.044 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.426 16.706 -7.596 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.486 15.421 -6.549 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.704 14.005 -7.293 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.799 15.021 -6.146 1.00 0.00 H new ATOM 1105 N ASN A 80 -6.684 14.440 -11.440 1.00 0.00 N ATOM 1106 CA ASN A 80 -7.679 13.921 -12.362 1.00 0.00 C ATOM 1107 C ASN A 80 -8.997 13.764 -11.603 1.00 0.00 C ATOM 1108 O ASN A 80 -9.010 13.803 -10.372 1.00 0.00 O ATOM 1109 CB ASN A 80 -7.176 12.579 -12.914 1.00 0.00 C ATOM 1110 CG ASN A 80 -8.000 12.044 -14.083 1.00 0.00 C ATOM 1111 OD1 ASN A 80 -8.718 12.790 -14.742 1.00 0.00 O ATOM 1112 ND2 ASN A 80 -7.887 10.741 -14.353 1.00 0.00 N ATOM 0 H ASN A 80 -6.089 13.699 -11.070 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.843 14.595 -13.203 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -6.141 12.694 -13.234 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.181 11.842 -12.111 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -8.408 10.334 -15.130 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -7.280 10.153 -13.782 1.00 0.00 H new ATOM 1119 N THR A 81 -10.107 13.575 -12.328 1.00 0.00 N ATOM 1120 CA THR A 81 -11.429 13.451 -11.732 1.00 0.00 C ATOM 1121 C THR A 81 -11.712 12.267 -10.840 1.00 0.00 C ATOM 1122 O THR A 81 -12.653 12.337 -10.047 1.00 0.00 O ATOM 1123 CB THR A 81 -12.549 13.774 -12.727 1.00 0.00 C ATOM 1124 OG1 THR A 81 -13.815 13.769 -12.102 1.00 0.00 O ATOM 1125 CG2 THR A 81 -12.567 12.714 -13.820 1.00 0.00 C ATOM 0 H THR A 81 -10.106 13.505 -13.346 1.00 0.00 H new ATOM 0 HA THR A 81 -11.413 14.238 -10.978 1.00 0.00 H new ATOM 0 HB THR A 81 -12.355 14.766 -13.135 1.00 0.00 H new ATOM 0 HG1 THR A 81 -13.982 14.644 -11.694 1.00 0.00 H new ATOM 0 HG21 THR A 81 -13.362 12.938 -14.531 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.608 12.709 -14.338 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.744 11.735 -13.375 1.00 0.00 H new ATOM 1133 N ASN A 82 -10.928 11.200 -10.936 1.00 0.00 N ATOM 1134 CA ASN A 82 -11.166 10.105 -10.034 1.00 0.00 C ATOM 1135 C ASN A 82 -10.485 10.618 -8.763 1.00 0.00 C ATOM 1136 O ASN A 82 -11.130 11.215 -7.908 1.00 0.00 O ATOM 1137 CB ASN A 82 -10.595 8.794 -10.603 1.00 0.00 C ATOM 1138 CG ASN A 82 -11.427 8.243 -11.763 1.00 0.00 C ATOM 1139 OD1 ASN A 82 -12.102 8.991 -12.469 1.00 0.00 O ATOM 1140 ND2 ASN A 82 -11.374 6.924 -11.965 1.00 0.00 N ATOM 0 H ASN A 82 -10.161 11.079 -11.598 1.00 0.00 H new ATOM 0 HA ASN A 82 -12.210 9.845 -9.857 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -9.573 8.964 -10.943 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -10.547 8.049 -9.809 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -11.905 6.503 -12.727 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -10.802 6.338 -11.357 1.00 0.00 H new ATOM 1147 N CYS A 83 -9.182 10.372 -8.695 1.00 0.00 N ATOM 1148 CA CYS A 83 -8.210 10.680 -7.642 1.00 0.00 C ATOM 1149 C CYS A 83 -6.747 10.560 -8.123 1.00 0.00 C ATOM 1150 O CYS A 83 -5.840 10.659 -7.297 1.00 0.00 O ATOM 1151 CB CYS A 83 -8.454 9.878 -6.347 1.00 0.00 C ATOM 1152 SG CYS A 83 -9.946 10.320 -5.411 1.00 0.00 S ATOM 0 H CYS A 83 -8.722 9.894 -9.470 1.00 0.00 H new ATOM 0 HA CYS A 83 -8.373 11.729 -7.395 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -8.509 8.820 -6.603 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -7.589 10.004 -5.696 1.00 0.00 H new ATOM 1157 N GLU A 84 -6.478 10.366 -9.425 1.00 0.00 N ATOM 1158 CA GLU A 84 -5.123 10.165 -9.934 1.00 0.00 C ATOM 1159 C GLU A 84 -4.363 11.479 -10.053 1.00 0.00 C ATOM 1160 O GLU A 84 -4.899 12.455 -10.561 1.00 0.00 O ATOM 1161 CB GLU A 84 -5.189 9.482 -11.308 1.00 0.00 C ATOM 1162 CG GLU A 84 -5.980 8.169 -11.287 1.00 0.00 C ATOM 1163 CD GLU A 84 -6.023 7.516 -12.668 1.00 0.00 C ATOM 1164 OE1 GLU A 84 -6.387 8.230 -13.628 1.00 0.00 O ATOM 1165 OE2 GLU A 84 -5.701 6.310 -12.741 1.00 0.00 O ATOM 0 H GLU A 84 -7.197 10.345 -10.148 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.588 9.534 -9.225 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.646 10.164 -12.025 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.176 9.284 -11.658 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.526 7.482 -10.573 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.996 8.361 -10.943 1.00 0.00 H new ATOM 1172 N TYR A 85 -3.106 11.504 -9.597 1.00 0.00 N ATOM 1173 CA TYR A 85 -2.278 12.699 -9.630 1.00 0.00 C ATOM 1174 C TYR A 85 -1.879 13.023 -11.073 1.00 0.00 C ATOM 1175 O TYR A 85 -1.234 12.209 -11.732 1.00 0.00 O ATOM 1176 CB TYR A 85 -1.056 12.506 -8.707 1.00 0.00 C ATOM 1177 CG TYR A 85 -0.706 13.688 -7.825 1.00 0.00 C ATOM 1178 CD1 TYR A 85 -0.912 15.005 -8.281 1.00 0.00 C ATOM 1179 CD2 TYR A 85 -0.170 13.479 -6.537 1.00 0.00 C ATOM 1180 CE1 TYR A 85 -0.610 16.097 -7.457 1.00 0.00 C ATOM 1181 CE2 TYR A 85 0.126 14.569 -5.718 1.00 0.00 C ATOM 1182 CZ TYR A 85 -0.105 15.880 -6.166 1.00 0.00 C ATOM 1183 OH TYR A 85 0.175 16.936 -5.353 1.00 0.00 O ATOM 0 H TYR A 85 -2.640 10.691 -9.195 1.00 0.00 H new ATOM 0 HA TYR A 85 -2.840 13.555 -9.256 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.239 11.641 -8.069 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.190 12.269 -9.325 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -1.305 15.174 -9.273 1.00 0.00 H new ATOM 0 HD2 TYR A 85 0.011 12.474 -6.185 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -0.766 17.104 -7.815 1.00 0.00 H new ATOM 0 HE2 TYR A 85 0.536 14.404 -4.733 1.00 0.00 H new ATOM 0 HH TYR A 85 0.167 16.641 -4.419 1.00 0.00 H new ATOM 1193 N ALA A 86 -2.262 14.216 -11.553 1.00 0.00 N ATOM 1194 CA ALA A 86 -1.987 14.680 -12.905 1.00 0.00 C ATOM 1195 C ALA A 86 -0.615 15.352 -12.963 1.00 0.00 C ATOM 1196 O ALA A 86 0.183 15.036 -13.844 1.00 0.00 O ATOM 1197 CB ALA A 86 -3.102 15.617 -13.374 1.00 0.00 C ATOM 0 H ALA A 86 -2.782 14.893 -10.994 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.963 13.828 -13.584 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.888 15.959 -14.386 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.053 15.084 -13.365 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -3.161 16.476 -12.706 1.00 0.00 H new ATOM 1203 N GLY A 87 -0.338 16.275 -12.030 1.00 0.00 N ATOM 1204 CA GLY A 87 0.941 16.964 -11.974 1.00 0.00 C ATOM 1205 C GLY A 87 0.978 18.051 -10.902 1.00 0.00 C ATOM 1206 O GLY A 87 0.005 18.268 -10.182 1.00 0.00 O ATOM 0 H GLY A 87 -0.995 16.557 -11.302 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.731 16.239 -11.778 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.152 17.410 -12.946 1.00 0.00 H new ATOM 1210 N ALA A 88 2.131 18.723 -10.817 1.00 0.00 N ATOM 1211 CA ALA A 88 2.444 19.804 -9.897 1.00 0.00 C ATOM 1212 C ALA A 88 3.093 20.928 -10.702 1.00 0.00 C ATOM 1213 O ALA A 88 3.965 20.673 -11.533 1.00 0.00 O ATOM 1214 CB ALA A 88 3.371 19.284 -8.797 1.00 0.00 C ATOM 0 H ALA A 88 2.916 18.507 -11.432 1.00 0.00 H new ATOM 0 HA ALA A 88 1.546 20.187 -9.412 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.606 20.094 -8.107 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.876 18.478 -8.255 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.292 18.909 -9.244 1.00 0.00 H new ATOM 1220 N ILE A 89 2.668 22.172 -10.452 1.00 0.00 N ATOM 1221 CA ILE A 89 3.142 23.367 -11.140 1.00 0.00 C ATOM 1222 C ILE A 89 3.152 24.570 -10.186 1.00 0.00 C ATOM 1223 O ILE A 89 2.659 24.470 -9.065 1.00 0.00 O ATOM 1224 CB ILE A 89 2.240 23.610 -12.372 1.00 0.00 C ATOM 1225 CG1 ILE A 89 0.747 23.615 -11.979 1.00 0.00 C ATOM 1226 CG2 ILE A 89 2.501 22.564 -13.461 1.00 0.00 C ATOM 1227 CD1 ILE A 89 -0.192 23.932 -13.146 1.00 0.00 C ATOM 0 H ILE A 89 1.963 22.375 -9.743 1.00 0.00 H new ATOM 0 HA ILE A 89 4.169 23.229 -11.478 1.00 0.00 H new ATOM 0 HB ILE A 89 2.491 24.592 -12.772 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.485 22.641 -11.567 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.590 24.348 -11.188 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.853 22.759 -14.316 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.543 22.619 -13.776 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.293 21.569 -13.067 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.224 23.918 -12.796 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.043 24.919 -13.544 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.064 23.185 -13.929 1.00 0.00 H new ATOM 1239 N THR A 90 3.723 25.706 -10.618 1.00 0.00 N ATOM 1240 CA THR A 90 3.783 26.923 -9.809 1.00 0.00 C ATOM 1241 C THR A 90 4.022 28.205 -10.618 1.00 0.00 C ATOM 1242 O THR A 90 4.625 28.149 -11.687 1.00 0.00 O ATOM 1243 CB THR A 90 4.921 26.797 -8.775 1.00 0.00 C ATOM 1244 OG1 THR A 90 4.911 27.908 -7.900 1.00 0.00 O ATOM 1245 CG2 THR A 90 6.299 26.700 -9.454 1.00 0.00 C ATOM 0 H THR A 90 4.154 25.801 -11.537 1.00 0.00 H new ATOM 0 HA THR A 90 2.804 27.013 -9.338 1.00 0.00 H new ATOM 0 HB THR A 90 4.749 25.879 -8.213 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.636 27.817 -7.247 1.00 0.00 H new ATOM 0 HG21 THR A 90 7.074 26.613 -8.693 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.325 25.823 -10.101 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.475 27.596 -10.050 1.00 0.00 H new ATOM 1253 N HIS A 91 3.533 29.354 -10.114 1.00 0.00 N ATOM 1254 CA HIS A 91 3.792 30.653 -10.750 1.00 0.00 C ATOM 1255 C HIS A 91 5.201 31.145 -10.378 1.00 0.00 C ATOM 1256 O HIS A 91 5.693 32.089 -10.993 1.00 0.00 O ATOM 1257 CB HIS A 91 2.795 31.806 -10.485 1.00 0.00 C ATOM 1258 CG HIS A 91 1.336 31.532 -10.696 1.00 0.00 C ATOM 1259 ND1 HIS A 91 0.381 32.537 -10.667 1.00 0.00 N ATOM 1260 CD2 HIS A 91 0.637 30.384 -10.951 1.00 0.00 C ATOM 1261 CE1 HIS A 91 -0.813 31.961 -10.887 1.00 0.00 C ATOM 1262 NE2 HIS A 91 -0.726 30.640 -11.058 1.00 0.00 N ATOM 0 H HIS A 91 2.959 29.406 -9.272 1.00 0.00 H new ATOM 0 HA HIS A 91 3.673 30.426 -11.809 1.00 0.00 H new ATOM 0 HB2 HIS A 91 2.928 32.134 -9.454 1.00 0.00 H new ATOM 0 HB3 HIS A 91 3.074 32.644 -11.124 1.00 0.00 H new ATOM 0 HD2 HIS A 91 1.085 29.407 -11.056 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -1.743 32.508 -10.922 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -1.481 29.975 -11.227 1.00 0.00 H new ATOM 1270 N THR A 92 5.842 30.519 -9.377 1.00 0.00 N ATOM 1271 CA THR A 92 7.170 30.865 -8.890 1.00 0.00 C ATOM 1272 C THR A 92 8.202 30.708 -10.007 1.00 0.00 C ATOM 1273 O THR A 92 8.515 29.588 -10.409 1.00 0.00 O ATOM 1274 CB THR A 92 7.515 29.982 -7.678 1.00 0.00 C ATOM 1275 OG1 THR A 92 6.499 30.082 -6.702 1.00 0.00 O ATOM 1276 CG2 THR A 92 8.848 30.387 -7.043 1.00 0.00 C ATOM 0 H THR A 92 5.429 29.734 -8.874 1.00 0.00 H new ATOM 0 HA THR A 92 7.185 31.908 -8.574 1.00 0.00 H new ATOM 0 HB THR A 92 7.597 28.956 -8.037 1.00 0.00 H new ATOM 0 HG1 THR A 92 6.725 29.516 -5.935 1.00 0.00 H new ATOM 0 HG21 THR A 92 9.056 29.740 -6.191 1.00 0.00 H new ATOM 0 HG22 THR A 92 9.647 30.287 -7.778 1.00 0.00 H new ATOM 0 HG23 THR A 92 8.791 31.423 -6.707 1.00 0.00 H new ATOM 1284 N GLY A 93 8.723 31.836 -10.505 1.00 0.00 N ATOM 1285 CA GLY A 93 9.704 31.872 -11.575 1.00 0.00 C ATOM 1286 C GLY A 93 9.066 31.467 -12.898 1.00 0.00 C ATOM 1287 O GLY A 93 9.490 30.490 -13.512 1.00 0.00 O ATOM 0 H GLY A 93 8.464 32.762 -10.163 1.00 0.00 H new ATOM 0 HA2 GLY A 93 10.123 32.875 -11.659 1.00 0.00 H new ATOM 0 HA3 GLY A 93 10.530 31.200 -11.342 1.00 0.00 H new ATOM 1291 N ALA A 94 8.041 32.221 -13.319 1.00 0.00 N ATOM 1292 CA ALA A 94 7.308 32.006 -14.558 1.00 0.00 C ATOM 1293 C ALA A 94 7.241 33.332 -15.321 1.00 0.00 C ATOM 1294 O ALA A 94 8.284 33.926 -15.593 1.00 0.00 O ATOM 1295 CB ALA A 94 5.934 31.407 -14.232 1.00 0.00 C ATOM 0 H ALA A 94 7.695 33.019 -12.786 1.00 0.00 H new ATOM 0 HA ALA A 94 7.809 31.289 -15.208 1.00 0.00 H new ATOM 0 HB1 ALA A 94 5.380 31.244 -15.156 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.065 30.457 -13.714 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.380 32.095 -13.593 1.00 0.00 H new ATOM 1301 N SER A 95 6.035 33.795 -15.671 1.00 0.00 N ATOM 1302 CA SER A 95 5.799 35.041 -16.383 1.00 0.00 C ATOM 1303 C SER A 95 4.442 35.590 -15.936 1.00 0.00 C ATOM 1304 O SER A 95 3.463 35.537 -16.680 1.00 0.00 O ATOM 1305 CB SER A 95 5.869 34.815 -17.902 1.00 0.00 C ATOM 1306 OG SER A 95 7.177 34.458 -18.297 1.00 0.00 O ATOM 0 H SER A 95 5.174 33.291 -15.456 1.00 0.00 H new ATOM 0 HA SER A 95 6.571 35.774 -16.148 1.00 0.00 H new ATOM 0 HB2 SER A 95 5.170 34.029 -18.190 1.00 0.00 H new ATOM 0 HB3 SER A 95 5.562 35.721 -18.423 1.00 0.00 H new ATOM 0 HG SER A 95 7.199 34.317 -19.267 1.00 0.00 H new ATOM 1312 N GLY A 96 4.401 36.109 -14.703 1.00 0.00 N ATOM 1313 CA GLY A 96 3.212 36.688 -14.097 1.00 0.00 C ATOM 1314 C GLY A 96 2.212 35.597 -13.722 1.00 0.00 C ATOM 1315 O GLY A 96 2.414 34.879 -12.744 1.00 0.00 O ATOM 0 H GLY A 96 5.216 36.135 -14.091 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.490 37.255 -13.208 1.00 0.00 H new ATOM 0 HA3 GLY A 96 2.749 37.390 -14.791 1.00 0.00 H new ATOM 1319 N ASN A 97 1.141 35.476 -14.514 1.00 0.00 N ATOM 1320 CA ASN A 97 0.083 34.493 -14.314 1.00 0.00 C ATOM 1321 C ASN A 97 0.500 33.118 -14.838 1.00 0.00 C ATOM 1322 O ASN A 97 -0.051 32.109 -14.398 1.00 0.00 O ATOM 1323 CB ASN A 97 -1.188 34.958 -15.035 1.00 0.00 C ATOM 1324 CG ASN A 97 -1.688 36.318 -14.548 1.00 0.00 C ATOM 1325 OD1 ASN A 97 -1.509 36.675 -13.385 1.00 0.00 O ATOM 1326 ND2 ASN A 97 -2.318 37.081 -15.443 1.00 0.00 N ATOM 0 H ASN A 97 0.987 36.073 -15.327 1.00 0.00 H new ATOM 0 HA ASN A 97 -0.108 34.405 -13.244 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -0.993 35.011 -16.106 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -1.973 34.216 -14.891 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -2.672 37.998 -15.172 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -2.446 36.747 -16.398 1.00 0.00 H new ATOM 1333 N ASN A 98 1.466 33.078 -15.771 1.00 0.00 N ATOM 1334 CA ASN A 98 1.981 31.858 -16.375 1.00 0.00 C ATOM 1335 C ASN A 98 2.498 30.885 -15.312 1.00 0.00 C ATOM 1336 O ASN A 98 2.814 31.277 -14.190 1.00 0.00 O ATOM 1337 CB ASN A 98 3.076 32.231 -17.383 1.00 0.00 C ATOM 1338 CG ASN A 98 3.659 31.027 -18.122 1.00 0.00 C ATOM 1339 OD1 ASN A 98 2.919 30.203 -18.657 1.00 0.00 O ATOM 1340 ND2 ASN A 98 4.990 30.917 -18.146 1.00 0.00 N ATOM 0 H ASN A 98 1.916 33.921 -16.129 1.00 0.00 H new ATOM 0 HA ASN A 98 1.175 31.343 -16.898 1.00 0.00 H new ATOM 0 HB2 ASN A 98 2.666 32.931 -18.111 1.00 0.00 H new ATOM 0 HB3 ASN A 98 3.879 32.750 -16.860 1.00 0.00 H new ATOM 0 HD21 ASN A 98 5.428 30.127 -18.621 1.00 0.00 H new ATOM 0 HD22 ASN A 98 5.568 31.623 -17.690 1.00 0.00 H new ATOM 1347 N PHE A 99 2.578 29.609 -15.699 1.00 0.00 N ATOM 1348 CA PHE A 99 3.011 28.494 -14.876 1.00 0.00 C ATOM 1349 C PHE A 99 4.314 27.878 -15.391 1.00 0.00 C ATOM 1350 O PHE A 99 4.725 28.118 -16.526 1.00 0.00 O ATOM 1351 CB PHE A 99 1.908 27.422 -14.951 1.00 0.00 C ATOM 1352 CG PHE A 99 0.919 27.473 -13.814 1.00 0.00 C ATOM 1353 CD1 PHE A 99 1.357 27.064 -12.547 1.00 0.00 C ATOM 1354 CD2 PHE A 99 -0.410 27.901 -13.993 1.00 0.00 C ATOM 1355 CE1 PHE A 99 0.483 27.075 -11.453 1.00 0.00 C ATOM 1356 CE2 PHE A 99 -1.290 27.915 -12.895 1.00 0.00 C ATOM 1357 CZ PHE A 99 -0.840 27.502 -11.628 1.00 0.00 C ATOM 0 H PHE A 99 2.328 29.319 -16.644 1.00 0.00 H new ATOM 0 HA PHE A 99 3.185 28.847 -13.860 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.369 27.536 -15.892 1.00 0.00 H new ATOM 0 HB3 PHE A 99 2.375 26.437 -14.968 1.00 0.00 H new ATOM 0 HD1 PHE A 99 2.378 26.737 -12.413 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.752 28.217 -14.967 1.00 0.00 H new ATOM 0 HE1 PHE A 99 0.827 26.756 -10.480 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -2.311 28.243 -13.025 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.517 27.514 -10.787 1.00 0.00 H new ATOM 1367 N VAL A 100 4.957 27.091 -14.520 1.00 0.00 N ATOM 1368 CA VAL A 100 6.180 26.338 -14.778 1.00 0.00 C ATOM 1369 C VAL A 100 6.035 24.990 -14.072 1.00 0.00 C ATOM 1370 O VAL A 100 5.221 24.839 -13.162 1.00 0.00 O ATOM 1371 CB VAL A 100 7.489 27.060 -14.420 1.00 0.00 C ATOM 1372 CG1 VAL A 100 7.749 28.213 -15.392 1.00 0.00 C ATOM 1373 CG2 VAL A 100 7.558 27.523 -12.967 1.00 0.00 C ATOM 0 H VAL A 100 4.616 26.959 -13.568 1.00 0.00 H new ATOM 0 HA VAL A 100 6.281 26.210 -15.856 1.00 0.00 H new ATOM 0 HB VAL A 100 8.286 26.324 -14.525 1.00 0.00 H new ATOM 0 HG11 VAL A 100 8.680 28.713 -15.123 1.00 0.00 H new ATOM 0 HG12 VAL A 100 7.827 27.823 -16.407 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.926 28.926 -15.339 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.510 28.023 -12.789 1.00 0.00 H new ATOM 0 HG22 VAL A 100 6.741 28.216 -12.767 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.473 26.661 -12.306 1.00 0.00 H new ATOM 1383 N GLY A 101 6.844 24.017 -14.497 1.00 0.00 N ATOM 1384 CA GLY A 101 6.823 22.660 -13.974 1.00 0.00 C ATOM 1385 C GLY A 101 7.619 22.475 -12.686 1.00 0.00 C ATOM 1386 O GLY A 101 8.693 23.052 -12.525 1.00 0.00 O ATOM 0 H GLY A 101 7.542 24.158 -15.227 1.00 0.00 H new ATOM 0 HA2 GLY A 101 5.788 22.368 -13.794 1.00 0.00 H new ATOM 0 HA3 GLY A 101 7.218 21.984 -14.732 1.00 0.00 H new ATOM 1390 N CYS A 102 7.073 21.659 -11.772 1.00 0.00 N ATOM 1391 CA CYS A 102 7.699 21.320 -10.498 1.00 0.00 C ATOM 1392 C CYS A 102 8.682 20.169 -10.784 1.00 0.00 C ATOM 1393 O CYS A 102 8.792 19.718 -11.925 1.00 0.00 O ATOM 1394 CB CYS A 102 6.608 20.897 -9.498 1.00 0.00 C ATOM 1395 SG CYS A 102 6.707 21.483 -7.783 1.00 0.00 S ATOM 0 H CYS A 102 6.167 21.211 -11.906 1.00 0.00 H new ATOM 0 HA CYS A 102 8.233 22.164 -10.061 1.00 0.00 H new ATOM 0 HB2 CYS A 102 5.649 21.222 -9.901 1.00 0.00 H new ATOM 0 HB3 CYS A 102 6.590 19.807 -9.472 1.00 0.00 H new ATOM 1400 N SER A 103 9.398 19.670 -9.769 1.00 0.00 N ATOM 1401 CA SER A 103 10.338 18.573 -9.978 1.00 0.00 C ATOM 1402 C SER A 103 9.589 17.270 -10.269 1.00 0.00 C ATOM 1403 O SER A 103 8.655 16.913 -9.553 1.00 0.00 O ATOM 1404 CB SER A 103 11.260 18.408 -8.769 1.00 0.00 C ATOM 1405 OG SER A 103 11.961 19.605 -8.511 1.00 0.00 O ATOM 0 H SER A 103 9.343 20.006 -8.808 1.00 0.00 H new ATOM 0 HA SER A 103 10.955 18.814 -10.843 1.00 0.00 H new ATOM 0 HB2 SER A 103 10.674 18.128 -7.894 1.00 0.00 H new ATOM 0 HB3 SER A 103 11.967 17.599 -8.952 1.00 0.00 H new ATOM 0 HG SER A 103 11.326 20.309 -8.262 1.00 0.00 H new ATOM 1411 N GLY A 104 10.001 16.566 -11.330 1.00 0.00 N ATOM 1412 CA GLY A 104 9.415 15.300 -11.745 1.00 0.00 C ATOM 1413 C GLY A 104 8.053 15.447 -12.431 1.00 0.00 C ATOM 1414 O GLY A 104 7.337 14.457 -12.564 1.00 0.00 O ATOM 0 H GLY A 104 10.766 16.872 -11.931 1.00 0.00 H new ATOM 0 HA2 GLY A 104 10.102 14.797 -12.426 1.00 0.00 H new ATOM 0 HA3 GLY A 104 9.304 14.657 -10.872 1.00 0.00 H new ATOM 1418 N THR A 105 7.689 16.661 -12.869 1.00 0.00 N ATOM 1419 CA THR A 105 6.426 16.918 -13.548 1.00 0.00 C ATOM 1420 C THR A 105 6.561 16.495 -15.010 1.00 0.00 C ATOM 1421 O THR A 105 7.535 16.855 -15.672 1.00 0.00 O ATOM 1422 CB THR A 105 6.060 18.403 -13.417 1.00 0.00 C ATOM 1423 OG1 THR A 105 5.965 18.733 -12.048 1.00 0.00 O ATOM 1424 CG2 THR A 105 4.723 18.723 -14.095 1.00 0.00 C ATOM 0 H THR A 105 8.271 17.492 -12.758 1.00 0.00 H new ATOM 0 HA THR A 105 5.621 16.341 -13.093 1.00 0.00 H new ATOM 0 HB THR A 105 6.839 18.986 -13.908 1.00 0.00 H new ATOM 0 HG1 THR A 105 5.264 19.406 -11.922 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.501 19.784 -13.979 1.00 0.00 H new ATOM 0 HG22 THR A 105 4.785 18.479 -15.155 1.00 0.00 H new ATOM 0 HG23 THR A 105 3.931 18.134 -13.633 1.00 0.00 H new ATOM 1432 N ASN A 106 5.581 15.731 -15.506 1.00 0.00 N ATOM 1433 CA ASN A 106 5.555 15.226 -16.872 1.00 0.00 C ATOM 1434 C ASN A 106 4.116 14.991 -17.330 1.00 0.00 C ATOM 1435 O ASN A 106 3.263 14.716 -16.457 1.00 0.00 O ATOM 1436 CB ASN A 106 6.399 13.947 -16.980 1.00 0.00 C ATOM 1437 CG ASN A 106 5.846 12.796 -16.138 1.00 0.00 C ATOM 1438 OD1 ASN A 106 5.150 11.927 -16.657 1.00 0.00 O ATOM 1439 ND2 ASN A 106 6.160 12.782 -14.840 1.00 0.00 N ATOM 1440 OXT ASN A 106 3.926 14.946 -18.565 1.00 0.00 O ATOM 0 H ASN A 106 4.772 15.445 -14.955 1.00 0.00 H new ATOM 0 HA ASN A 106 5.992 15.973 -17.535 1.00 0.00 H new ATOM 0 HB2 ASN A 106 6.447 13.637 -18.024 1.00 0.00 H new ATOM 0 HB3 ASN A 106 7.420 14.164 -16.665 1.00 0.00 H new ATOM 0 HD21 ASN A 106 5.819 12.030 -14.241 1.00 0.00 H new ATOM 0 HD22 ASN A 106 6.741 13.523 -14.448 1.00 0.00 H new