USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 651 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 65 THR OG1 : rot -83:sc= 1.24 USER MOD Set 1.2: A 68 THR OG1 : rot 61:sc= 1.63 USER MOD Set 2.1: A 15 CYS SG : rot 77:sc= -1.34! USER MOD Set 2.2: A 32 CYS SG : rot -126:sc= -2.42! USER MOD Set 3.1: A 18 GLN : amide:sc= 0.511 K(o=1.8,f=-0.7!) USER MOD Set 3.2: A 23 TYR OH : rot 133:sc= 0.372 USER MOD Set 3.3: A 87 TYR OH : rot 97:sc= 0.903 USER MOD Set 4.1: A 17 LYS NZ :NH3+ 154:sc= -0.171 (180deg=-1.03) USER MOD Set 4.2: A 24 THR OG1 : rot 171:sc= -0.0154 USER MOD Single : A 9 ASN : amide:sc= -3.57! K(o=-3.6!,f=-0.93) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc=-0.00664 K(o=-0.0066,f=-0.66) USER MOD Single : A 19 SER OG : rot -4:sc= 0.561! USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 25 TYR OH : rot 109:sc= -0.702 USER MOD Single : A 26 ASN : amide:sc= -4.13! K(o=-4.1!,f=-0.45) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -156:sc= -0.0751 (180deg=-0.632) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 37 ASN : amide:sc= -1.83 K(o=-1.8,f=-2.7!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0393 USER MOD Single : A 47 SER OG : rot 180:sc= -0.396 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.16 K(o=-0.16,f=-2.4!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -1.18! C(o=-1.2!,f=-2.2!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.268 K(o=-0.27,f=-2.5!) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0103 USER MOD Single : A 73 ASN : amide:sc= -1.23 K(o=-1.2,f=-5.9!) USER MOD Single : A 74 GLN : amide:sc= -0.163 X(o=-0.16,f=-0.44) USER MOD Single : A 77 ASN : amide:sc= -0.0634 K(o=-0.063,f=-1.8!) USER MOD Single : A 78 LYS NZ :NH3+ -157:sc= -0.235 (180deg=-0.99) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.169 USER MOD Single : A 80 ASN : amide:sc= -6.18! C(o=-6.2!,f=-7.6!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 86 LYS NZ :NH3+ 160:sc= -0.15 (180deg=-0.95) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.12 USER MOD ----------------------------------------------------------------- ATOM 73 N ALA A 7 55.323 -2.394 -1.887 1.00 0.00 N ATOM 74 CA ALA A 7 56.811 -2.410 -1.823 1.00 0.00 C ATOM 75 C ALA A 7 57.272 -3.738 -1.197 1.00 0.00 C ATOM 76 O ALA A 7 58.448 -3.964 -0.989 1.00 0.00 O ATOM 77 CB ALA A 7 57.282 -1.211 -0.966 1.00 0.00 C ATOM 0 HA ALA A 7 57.241 -2.326 -2.821 1.00 0.00 H new ATOM 0 HB1 ALA A 7 58.371 -1.209 -0.910 1.00 0.00 H new ATOM 0 HB2 ALA A 7 56.941 -0.282 -1.422 1.00 0.00 H new ATOM 0 HB3 ALA A 7 56.867 -1.296 0.038 1.00 0.00 H new ATOM 83 N ASP A 8 56.348 -4.610 -0.887 1.00 0.00 N ATOM 84 CA ASP A 8 56.720 -5.915 -0.263 1.00 0.00 C ATOM 85 C ASP A 8 57.109 -6.931 -1.343 1.00 0.00 C ATOM 86 O ASP A 8 57.857 -7.857 -1.097 1.00 0.00 O ATOM 87 CB ASP A 8 55.528 -6.451 0.532 1.00 0.00 C ATOM 88 CG ASP A 8 55.980 -7.635 1.386 1.00 0.00 C ATOM 89 OD1 ASP A 8 57.092 -8.094 1.188 1.00 0.00 O ATOM 90 OD2 ASP A 8 55.207 -8.061 2.228 1.00 0.00 O ATOM 0 H ASP A 8 55.349 -4.474 -1.040 1.00 0.00 H new ATOM 0 HA ASP A 8 57.572 -5.762 0.400 1.00 0.00 H new ATOM 0 HB2 ASP A 8 55.117 -5.666 1.167 1.00 0.00 H new ATOM 0 HB3 ASP A 8 54.733 -6.760 -0.147 1.00 0.00 H new ATOM 95 N ASN A 9 56.597 -6.776 -2.533 1.00 0.00 N ATOM 96 CA ASN A 9 56.925 -7.742 -3.625 1.00 0.00 C ATOM 97 C ASN A 9 58.216 -7.321 -4.328 1.00 0.00 C ATOM 98 O ASN A 9 58.650 -7.954 -5.270 1.00 0.00 O ATOM 99 CB ASN A 9 55.778 -7.774 -4.638 1.00 0.00 C ATOM 100 CG ASN A 9 56.001 -8.916 -5.633 1.00 0.00 C ATOM 101 OD1 ASN A 9 55.305 -9.014 -6.626 1.00 0.00 O ATOM 102 ND2 ASN A 9 56.957 -9.779 -5.418 1.00 0.00 N ATOM 0 H ASN A 9 55.964 -6.021 -2.799 1.00 0.00 H new ATOM 0 HA ASN A 9 57.062 -8.734 -3.195 1.00 0.00 H new ATOM 0 HB2 ASN A 9 54.828 -7.909 -4.122 1.00 0.00 H new ATOM 0 HB3 ASN A 9 55.721 -6.823 -5.168 1.00 0.00 H new ATOM 0 HD21 ASN A 9 57.120 -10.535 -6.083 1.00 0.00 H new ATOM 0 HD22 ASN A 9 57.541 -9.697 -4.585 1.00 0.00 H new ATOM 109 N VAL A 10 58.833 -6.257 -3.876 1.00 0.00 N ATOM 110 CA VAL A 10 60.105 -5.782 -4.511 1.00 0.00 C ATOM 111 C VAL A 10 61.234 -5.835 -3.483 1.00 0.00 C ATOM 112 O VAL A 10 61.138 -5.265 -2.415 1.00 0.00 O ATOM 113 CB VAL A 10 59.942 -4.324 -4.974 1.00 0.00 C ATOM 114 CG1 VAL A 10 60.926 -4.014 -6.106 1.00 0.00 C ATOM 115 CG2 VAL A 10 58.518 -4.096 -5.456 1.00 0.00 C ATOM 0 H VAL A 10 58.509 -5.693 -3.090 1.00 0.00 H new ATOM 0 HA VAL A 10 60.336 -6.421 -5.363 1.00 0.00 H new ATOM 0 HB VAL A 10 60.151 -3.662 -4.134 1.00 0.00 H new ATOM 0 HG11 VAL A 10 60.800 -2.979 -6.424 1.00 0.00 H new ATOM 0 HG12 VAL A 10 61.946 -4.163 -5.752 1.00 0.00 H new ATOM 0 HG13 VAL A 10 60.733 -4.679 -6.948 1.00 0.00 H new ATOM 0 HG21 VAL A 10 58.406 -3.062 -5.783 1.00 0.00 H new ATOM 0 HG22 VAL A 10 58.304 -4.766 -6.289 1.00 0.00 H new ATOM 0 HG23 VAL A 10 57.822 -4.296 -4.642 1.00 0.00 H new ATOM 125 N ASP A 11 62.315 -6.478 -3.810 1.00 0.00 N ATOM 126 CA ASP A 11 63.455 -6.517 -2.852 1.00 0.00 C ATOM 127 C ASP A 11 64.175 -5.166 -2.946 1.00 0.00 C ATOM 128 O ASP A 11 64.315 -4.623 -4.025 1.00 0.00 O ATOM 129 CB ASP A 11 64.431 -7.633 -3.238 1.00 0.00 C ATOM 130 CG ASP A 11 63.763 -8.997 -3.057 1.00 0.00 C ATOM 131 OD1 ASP A 11 62.760 -9.235 -3.710 1.00 0.00 O ATOM 132 OD2 ASP A 11 64.269 -9.782 -2.272 1.00 0.00 O ATOM 0 H ASP A 11 62.461 -6.974 -4.689 1.00 0.00 H new ATOM 0 HA ASP A 11 63.094 -6.706 -1.841 1.00 0.00 H new ATOM 0 HB2 ASP A 11 64.748 -7.508 -4.273 1.00 0.00 H new ATOM 0 HB3 ASP A 11 65.328 -7.573 -2.621 1.00 0.00 H new ATOM 137 N PRO A 12 64.620 -4.602 -1.850 1.00 0.00 N ATOM 138 CA PRO A 12 65.312 -3.283 -1.883 1.00 0.00 C ATOM 139 C PRO A 12 66.744 -3.411 -2.420 1.00 0.00 C ATOM 140 O PRO A 12 67.386 -2.434 -2.752 1.00 0.00 O ATOM 141 CB PRO A 12 65.302 -2.850 -0.416 1.00 0.00 C ATOM 142 CG PRO A 12 65.349 -4.128 0.351 1.00 0.00 C ATOM 143 CD PRO A 12 64.537 -5.135 -0.471 1.00 0.00 C ATOM 0 HA PRO A 12 64.828 -2.565 -2.545 1.00 0.00 H new ATOM 0 HB2 PRO A 12 66.158 -2.216 -0.184 1.00 0.00 H new ATOM 0 HB3 PRO A 12 64.406 -2.277 -0.177 1.00 0.00 H new ATOM 0 HG2 PRO A 12 66.376 -4.468 0.483 1.00 0.00 H new ATOM 0 HG3 PRO A 12 64.924 -4.003 1.347 1.00 0.00 H new ATOM 0 HD2 PRO A 12 64.956 -6.139 -0.403 1.00 0.00 H new ATOM 0 HD3 PRO A 12 63.505 -5.196 -0.126 1.00 0.00 H new ATOM 151 N SER A 13 67.240 -4.615 -2.499 1.00 0.00 N ATOM 152 CA SER A 13 68.627 -4.834 -3.001 1.00 0.00 C ATOM 153 C SER A 13 68.774 -4.329 -4.439 1.00 0.00 C ATOM 154 O SER A 13 69.780 -3.750 -4.797 1.00 0.00 O ATOM 155 CB SER A 13 68.936 -6.329 -2.970 1.00 0.00 C ATOM 156 OG SER A 13 70.271 -6.535 -3.406 1.00 0.00 O ATOM 0 H SER A 13 66.740 -5.464 -2.235 1.00 0.00 H new ATOM 0 HA SER A 13 69.319 -4.284 -2.363 1.00 0.00 H new ATOM 0 HB2 SER A 13 68.805 -6.719 -1.961 1.00 0.00 H new ATOM 0 HB3 SER A 13 68.242 -6.870 -3.613 1.00 0.00 H new ATOM 0 HG SER A 13 70.477 -7.493 -3.387 1.00 0.00 H new ATOM 162 N GLN A 14 67.793 -4.549 -5.271 1.00 0.00 N ATOM 163 CA GLN A 14 67.906 -4.087 -6.685 1.00 0.00 C ATOM 164 C GLN A 14 67.541 -2.603 -6.773 1.00 0.00 C ATOM 165 O GLN A 14 67.743 -1.964 -7.785 1.00 0.00 O ATOM 166 CB GLN A 14 66.977 -4.923 -7.576 1.00 0.00 C ATOM 167 CG GLN A 14 65.508 -4.641 -7.237 1.00 0.00 C ATOM 168 CD GLN A 14 64.617 -5.604 -8.028 1.00 0.00 C ATOM 169 OE1 GLN A 14 64.906 -6.780 -8.119 1.00 0.00 O ATOM 170 NE2 GLN A 14 63.543 -5.148 -8.616 1.00 0.00 N ATOM 0 H GLN A 14 66.923 -5.026 -5.036 1.00 0.00 H new ATOM 0 HA GLN A 14 68.932 -4.215 -7.031 1.00 0.00 H new ATOM 0 HB2 GLN A 14 67.165 -4.692 -8.625 1.00 0.00 H new ATOM 0 HB3 GLN A 14 67.190 -5.983 -7.440 1.00 0.00 H new ATOM 0 HG2 GLN A 14 65.339 -4.765 -6.167 1.00 0.00 H new ATOM 0 HG3 GLN A 14 65.257 -3.609 -7.482 1.00 0.00 H new ATOM 0 HE21 GLN A 14 63.300 -4.160 -8.540 1.00 0.00 H new ATOM 0 HE22 GLN A 14 62.947 -5.780 -9.151 1.00 0.00 H new ATOM 179 N CYS A 15 67.016 -2.046 -5.718 1.00 0.00 N ATOM 180 CA CYS A 15 66.656 -0.600 -5.747 1.00 0.00 C ATOM 181 C CYS A 15 67.937 0.242 -5.750 1.00 0.00 C ATOM 182 O CYS A 15 67.976 1.323 -6.304 1.00 0.00 O ATOM 183 CB CYS A 15 65.807 -0.251 -4.524 1.00 0.00 C ATOM 184 SG CYS A 15 65.083 1.394 -4.748 1.00 0.00 S ATOM 0 H CYS A 15 66.821 -2.527 -4.840 1.00 0.00 H new ATOM 0 HA CYS A 15 66.081 -0.388 -6.648 1.00 0.00 H new ATOM 0 HB2 CYS A 15 65.019 -0.992 -4.390 1.00 0.00 H new ATOM 0 HB3 CYS A 15 66.420 -0.271 -3.623 1.00 0.00 H new ATOM 0 HG CYS A 15 64.081 1.319 -5.573 1.00 0.00 H new ATOM 189 N ILE A 16 68.987 -0.250 -5.133 1.00 0.00 N ATOM 190 CA ILE A 16 70.283 0.510 -5.088 1.00 0.00 C ATOM 191 C ILE A 16 71.399 -0.360 -5.662 1.00 0.00 C ATOM 192 O ILE A 16 71.345 -1.571 -5.599 1.00 0.00 O ATOM 193 CB ILE A 16 70.627 0.866 -3.632 1.00 0.00 C ATOM 194 CG1 ILE A 16 70.753 -0.424 -2.768 1.00 0.00 C ATOM 195 CG2 ILE A 16 69.525 1.769 -3.070 1.00 0.00 C ATOM 196 CD1 ILE A 16 72.231 -0.806 -2.583 1.00 0.00 C ATOM 0 H ILE A 16 69.003 -1.151 -4.655 1.00 0.00 H new ATOM 0 HA ILE A 16 70.183 1.424 -5.674 1.00 0.00 H new ATOM 0 HB ILE A 16 71.584 1.387 -3.604 1.00 0.00 H new ATOM 0 HG12 ILE A 16 70.288 -0.264 -1.795 1.00 0.00 H new ATOM 0 HG13 ILE A 16 70.217 -1.243 -3.247 1.00 0.00 H new ATOM 0 HG21 ILE A 16 69.758 2.028 -2.037 1.00 0.00 H new ATOM 0 HG22 ILE A 16 69.461 2.679 -3.667 1.00 0.00 H new ATOM 0 HG23 ILE A 16 68.571 1.244 -3.105 1.00 0.00 H new ATOM 0 HD11 ILE A 16 72.300 -1.709 -1.977 1.00 0.00 H new ATOM 0 HD12 ILE A 16 72.685 -0.987 -3.557 1.00 0.00 H new ATOM 0 HD13 ILE A 16 72.757 0.007 -2.083 1.00 0.00 H new ATOM 208 N LYS A 17 72.414 0.252 -6.221 1.00 0.00 N ATOM 209 CA LYS A 17 73.553 -0.533 -6.803 1.00 0.00 C ATOM 210 C LYS A 17 74.876 0.035 -6.288 1.00 0.00 C ATOM 211 O LYS A 17 74.994 1.216 -6.033 1.00 0.00 O ATOM 212 CB LYS A 17 73.505 -0.433 -8.331 1.00 0.00 C ATOM 213 CG LYS A 17 73.706 1.024 -8.768 1.00 0.00 C ATOM 214 CD LYS A 17 73.564 1.120 -10.286 1.00 0.00 C ATOM 215 CE LYS A 17 73.949 2.527 -10.746 1.00 0.00 C ATOM 216 NZ LYS A 17 75.363 2.808 -10.365 1.00 0.00 N ATOM 0 H LYS A 17 72.505 1.265 -6.301 1.00 0.00 H new ATOM 0 HA LYS A 17 73.471 -1.579 -6.506 1.00 0.00 H new ATOM 0 HB2 LYS A 17 74.279 -1.063 -8.769 1.00 0.00 H new ATOM 0 HB3 LYS A 17 72.548 -0.803 -8.698 1.00 0.00 H new ATOM 0 HG2 LYS A 17 72.972 1.666 -8.281 1.00 0.00 H new ATOM 0 HG3 LYS A 17 74.691 1.375 -8.460 1.00 0.00 H new ATOM 0 HD2 LYS A 17 74.202 0.380 -10.769 1.00 0.00 H new ATOM 0 HD3 LYS A 17 72.539 0.897 -10.581 1.00 0.00 H new ATOM 0 HE2 LYS A 17 73.829 2.613 -11.826 1.00 0.00 H new ATOM 0 HE3 LYS A 17 73.286 3.263 -10.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 75.763 3.515 -11.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 75.394 3.174 -9.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 75.919 1.931 -10.423 1.00 0.00 H new ATOM 230 N GLN A 18 75.877 -0.798 -6.129 1.00 0.00 N ATOM 231 CA GLN A 18 77.196 -0.304 -5.624 1.00 0.00 C ATOM 232 C GLN A 18 78.166 -0.135 -6.796 1.00 0.00 C ATOM 233 O GLN A 18 78.418 -1.062 -7.542 1.00 0.00 O ATOM 234 CB GLN A 18 77.774 -1.324 -4.635 1.00 0.00 C ATOM 235 CG GLN A 18 79.126 -0.830 -4.107 1.00 0.00 C ATOM 236 CD GLN A 18 79.641 -1.801 -3.039 1.00 0.00 C ATOM 237 OE1 GLN A 18 78.920 -2.674 -2.601 1.00 0.00 O ATOM 238 NE2 GLN A 18 80.865 -1.682 -2.597 1.00 0.00 N ATOM 0 H GLN A 18 75.837 -1.798 -6.327 1.00 0.00 H new ATOM 0 HA GLN A 18 77.056 0.656 -5.127 1.00 0.00 H new ATOM 0 HB2 GLN A 18 77.082 -1.472 -3.806 1.00 0.00 H new ATOM 0 HB3 GLN A 18 77.896 -2.290 -5.125 1.00 0.00 H new ATOM 0 HG2 GLN A 18 79.843 -0.757 -4.924 1.00 0.00 H new ATOM 0 HG3 GLN A 18 79.021 0.170 -3.685 1.00 0.00 H new ATOM 0 HE21 GLN A 18 81.471 -0.949 -2.965 1.00 0.00 H new ATOM 0 HE22 GLN A 18 81.214 -2.323 -1.884 1.00 0.00 H new ATOM 247 N SER A 19 78.728 1.038 -6.951 1.00 0.00 N ATOM 248 CA SER A 19 79.708 1.285 -8.057 1.00 0.00 C ATOM 249 C SER A 19 81.087 1.497 -7.433 1.00 0.00 C ATOM 250 O SER A 19 81.273 2.381 -6.622 1.00 0.00 O ATOM 251 CB SER A 19 79.304 2.546 -8.820 1.00 0.00 C ATOM 252 OG SER A 19 79.674 3.691 -8.060 1.00 0.00 O ATOM 0 H SER A 19 78.548 1.844 -6.353 1.00 0.00 H new ATOM 0 HA SER A 19 79.725 0.438 -8.743 1.00 0.00 H new ATOM 0 HB2 SER A 19 79.792 2.568 -9.794 1.00 0.00 H new ATOM 0 HB3 SER A 19 78.229 2.547 -9.002 1.00 0.00 H new ATOM 0 HG SER A 19 80.035 3.406 -7.195 1.00 0.00 H new ATOM 258 N GLY A 20 82.057 0.698 -7.787 1.00 0.00 N ATOM 259 CA GLY A 20 83.406 0.878 -7.180 1.00 0.00 C ATOM 260 C GLY A 20 83.257 0.914 -5.655 1.00 0.00 C ATOM 261 O GLY A 20 83.253 -0.109 -5.001 1.00 0.00 O ATOM 0 H GLY A 20 81.976 -0.063 -8.462 1.00 0.00 H new ATOM 0 HA2 GLY A 20 84.066 0.062 -7.476 1.00 0.00 H new ATOM 0 HA3 GLY A 20 83.861 1.802 -7.537 1.00 0.00 H new ATOM 265 N VAL A 21 83.120 2.087 -5.087 1.00 0.00 N ATOM 266 CA VAL A 21 82.953 2.206 -3.602 1.00 0.00 C ATOM 267 C VAL A 21 81.867 3.236 -3.298 1.00 0.00 C ATOM 268 O VAL A 21 81.910 3.912 -2.292 1.00 0.00 O ATOM 269 CB VAL A 21 84.270 2.660 -2.975 1.00 0.00 C ATOM 270 CG1 VAL A 21 85.242 1.484 -2.945 1.00 0.00 C ATOM 271 CG2 VAL A 21 84.863 3.798 -3.811 1.00 0.00 C ATOM 0 H VAL A 21 83.116 2.974 -5.591 1.00 0.00 H new ATOM 0 HA VAL A 21 82.668 1.238 -3.189 1.00 0.00 H new ATOM 0 HB VAL A 21 84.094 3.012 -1.959 1.00 0.00 H new ATOM 0 HG11 VAL A 21 86.184 1.802 -2.498 1.00 0.00 H new ATOM 0 HG12 VAL A 21 84.815 0.674 -2.353 1.00 0.00 H new ATOM 0 HG13 VAL A 21 85.422 1.135 -3.962 1.00 0.00 H new ATOM 0 HG21 VAL A 21 85.803 4.124 -3.366 1.00 0.00 H new ATOM 0 HG22 VAL A 21 85.045 3.447 -4.827 1.00 0.00 H new ATOM 0 HG23 VAL A 21 84.164 4.634 -3.836 1.00 0.00 H new ATOM 281 N GLN A 22 80.900 3.366 -4.170 1.00 0.00 N ATOM 282 CA GLN A 22 79.795 4.362 -3.952 1.00 0.00 C ATOM 283 C GLN A 22 78.427 3.708 -4.122 1.00 0.00 C ATOM 284 O GLN A 22 78.277 2.683 -4.758 1.00 0.00 O ATOM 285 CB GLN A 22 79.917 5.503 -4.962 1.00 0.00 C ATOM 286 CG GLN A 22 81.134 6.353 -4.620 1.00 0.00 C ATOM 287 CD GLN A 22 81.267 7.486 -5.639 1.00 0.00 C ATOM 288 OE1 GLN A 22 80.739 7.407 -6.729 1.00 0.00 O ATOM 289 NE2 GLN A 22 81.952 8.547 -5.323 1.00 0.00 N ATOM 0 H GLN A 22 80.824 2.824 -5.031 1.00 0.00 H new ATOM 0 HA GLN A 22 79.886 4.744 -2.935 1.00 0.00 H new ATOM 0 HB2 GLN A 22 80.012 5.102 -5.971 1.00 0.00 H new ATOM 0 HB3 GLN A 22 79.016 6.116 -4.946 1.00 0.00 H new ATOM 0 HG2 GLN A 22 81.034 6.763 -3.615 1.00 0.00 H new ATOM 0 HG3 GLN A 22 82.034 5.738 -4.625 1.00 0.00 H new ATOM 0 HE21 GLN A 22 82.396 8.613 -4.407 1.00 0.00 H new ATOM 0 HE22 GLN A 22 82.045 9.312 -5.991 1.00 0.00 H new ATOM 298 N TYR A 23 77.424 4.336 -3.569 1.00 0.00 N ATOM 299 CA TYR A 23 76.018 3.828 -3.680 1.00 0.00 C ATOM 300 C TYR A 23 75.173 4.895 -4.374 1.00 0.00 C ATOM 301 O TYR A 23 75.317 6.073 -4.116 1.00 0.00 O ATOM 302 CB TYR A 23 75.438 3.575 -2.275 1.00 0.00 C ATOM 303 CG TYR A 23 75.782 2.181 -1.794 1.00 0.00 C ATOM 304 CD1 TYR A 23 75.264 1.068 -2.468 1.00 0.00 C ATOM 305 CD2 TYR A 23 76.596 2.000 -0.667 1.00 0.00 C ATOM 306 CE1 TYR A 23 75.562 -0.224 -2.019 1.00 0.00 C ATOM 307 CE2 TYR A 23 76.891 0.707 -0.217 1.00 0.00 C ATOM 308 CZ TYR A 23 76.375 -0.403 -0.894 1.00 0.00 C ATOM 309 OH TYR A 23 76.667 -1.675 -0.448 1.00 0.00 O ATOM 0 H TYR A 23 77.519 5.199 -3.033 1.00 0.00 H new ATOM 0 HA TYR A 23 76.009 2.897 -4.247 1.00 0.00 H new ATOM 0 HB2 TYR A 23 75.831 4.313 -1.576 1.00 0.00 H new ATOM 0 HB3 TYR A 23 74.355 3.701 -2.296 1.00 0.00 H new ATOM 0 HD1 TYR A 23 74.634 1.207 -3.334 1.00 0.00 H new ATOM 0 HD2 TYR A 23 76.995 2.857 -0.146 1.00 0.00 H new ATOM 0 HE1 TYR A 23 75.165 -1.082 -2.541 1.00 0.00 H new ATOM 0 HE2 TYR A 23 77.517 0.567 0.652 1.00 0.00 H new ATOM 0 HH TYR A 23 77.629 -1.748 -0.274 1.00 0.00 H new ATOM 319 N THR A 24 74.286 4.495 -5.246 1.00 0.00 N ATOM 320 CA THR A 24 73.422 5.488 -5.947 1.00 0.00 C ATOM 321 C THR A 24 72.000 4.945 -6.019 1.00 0.00 C ATOM 322 O THR A 24 71.780 3.751 -6.101 1.00 0.00 O ATOM 323 CB THR A 24 73.969 5.731 -7.352 1.00 0.00 C ATOM 324 OG1 THR A 24 73.971 4.512 -8.080 1.00 0.00 O ATOM 325 CG2 THR A 24 75.398 6.263 -7.248 1.00 0.00 C ATOM 0 H THR A 24 74.123 3.522 -5.503 1.00 0.00 H new ATOM 0 HA THR A 24 73.417 6.432 -5.403 1.00 0.00 H new ATOM 0 HB THR A 24 73.341 6.458 -7.868 1.00 0.00 H new ATOM 0 HG1 THR A 24 74.183 4.693 -9.020 1.00 0.00 H new ATOM 0 HG21 THR A 24 75.795 6.439 -8.248 1.00 0.00 H new ATOM 0 HG22 THR A 24 75.398 7.198 -6.688 1.00 0.00 H new ATOM 0 HG23 THR A 24 76.022 5.532 -6.734 1.00 0.00 H new ATOM 333 N TYR A 25 71.032 5.816 -5.970 1.00 0.00 N ATOM 334 CA TYR A 25 69.617 5.370 -6.011 1.00 0.00 C ATOM 335 C TYR A 25 69.197 5.148 -7.464 1.00 0.00 C ATOM 336 O TYR A 25 69.327 6.023 -8.297 1.00 0.00 O ATOM 337 CB TYR A 25 68.748 6.459 -5.383 1.00 0.00 C ATOM 338 CG TYR A 25 67.357 5.939 -5.135 1.00 0.00 C ATOM 339 CD1 TYR A 25 66.373 6.067 -6.120 1.00 0.00 C ATOM 340 CD2 TYR A 25 67.046 5.342 -3.909 1.00 0.00 C ATOM 341 CE1 TYR A 25 65.076 5.596 -5.879 1.00 0.00 C ATOM 342 CE2 TYR A 25 65.755 4.869 -3.669 1.00 0.00 C ATOM 343 CZ TYR A 25 64.767 4.994 -4.650 1.00 0.00 C ATOM 344 OH TYR A 25 63.490 4.531 -4.404 1.00 0.00 O ATOM 0 H TYR A 25 71.164 6.825 -5.903 1.00 0.00 H new ATOM 0 HA TYR A 25 69.499 4.437 -5.460 1.00 0.00 H new ATOM 0 HB2 TYR A 25 69.192 6.792 -4.445 1.00 0.00 H new ATOM 0 HB3 TYR A 25 68.707 7.326 -6.042 1.00 0.00 H new ATOM 0 HD1 TYR A 25 66.613 6.529 -7.066 1.00 0.00 H new ATOM 0 HD2 TYR A 25 67.806 5.247 -3.147 1.00 0.00 H new ATOM 0 HE1 TYR A 25 64.315 5.696 -6.638 1.00 0.00 H new ATOM 0 HE2 TYR A 25 65.519 4.405 -2.723 1.00 0.00 H new ATOM 0 HH TYR A 25 63.493 3.551 -4.399 1.00 0.00 H new ATOM 354 N ASN A 26 68.695 3.984 -7.778 1.00 0.00 N ATOM 355 CA ASN A 26 68.270 3.704 -9.177 1.00 0.00 C ATOM 356 C ASN A 26 66.842 4.212 -9.390 1.00 0.00 C ATOM 357 O ASN A 26 65.883 3.497 -9.183 1.00 0.00 O ATOM 358 CB ASN A 26 68.312 2.192 -9.426 1.00 0.00 C ATOM 359 CG ASN A 26 69.764 1.700 -9.399 1.00 0.00 C ATOM 360 OD1 ASN A 26 70.012 0.521 -9.236 1.00 0.00 O ATOM 361 ND2 ASN A 26 70.740 2.555 -9.549 1.00 0.00 N ATOM 0 H ASN A 26 68.561 3.214 -7.123 1.00 0.00 H new ATOM 0 HA ASN A 26 68.943 4.210 -9.869 1.00 0.00 H new ATOM 0 HB2 ASN A 26 67.729 1.673 -8.666 1.00 0.00 H new ATOM 0 HB3 ASN A 26 67.858 1.960 -10.389 1.00 0.00 H new ATOM 0 HD21 ASN A 26 71.708 2.233 -9.529 1.00 0.00 H new ATOM 0 HD22 ASN A 26 70.535 3.545 -9.686 1.00 0.00 H new ATOM 368 N SER A 27 66.693 5.440 -9.813 1.00 0.00 N ATOM 369 CA SER A 27 65.328 5.993 -10.055 1.00 0.00 C ATOM 370 C SER A 27 64.925 5.700 -11.503 1.00 0.00 C ATOM 371 O SER A 27 63.846 6.047 -11.939 1.00 0.00 O ATOM 372 CB SER A 27 65.337 7.509 -9.836 1.00 0.00 C ATOM 373 OG SER A 27 66.074 8.123 -10.882 1.00 0.00 O ATOM 0 H SER A 27 67.460 6.085 -10.002 1.00 0.00 H new ATOM 0 HA SER A 27 64.620 5.532 -9.366 1.00 0.00 H new ATOM 0 HB2 SER A 27 64.317 7.893 -9.819 1.00 0.00 H new ATOM 0 HB3 SER A 27 65.784 7.747 -8.871 1.00 0.00 H new ATOM 0 HG SER A 27 66.083 9.094 -10.750 1.00 0.00 H new ATOM 379 N GLY A 28 65.790 5.069 -12.257 1.00 0.00 N ATOM 380 CA GLY A 28 65.460 4.767 -13.678 1.00 0.00 C ATOM 381 C GLY A 28 64.344 3.727 -13.743 1.00 0.00 C ATOM 382 O GLY A 28 63.885 3.371 -14.809 1.00 0.00 O ATOM 0 H GLY A 28 66.709 4.751 -11.948 1.00 0.00 H new ATOM 0 HA2 GLY A 28 65.150 5.678 -14.190 1.00 0.00 H new ATOM 0 HA3 GLY A 28 66.345 4.396 -14.195 1.00 0.00 H new ATOM 386 N VAL A 29 63.896 3.246 -12.608 1.00 0.00 N ATOM 387 CA VAL A 29 62.792 2.233 -12.588 1.00 0.00 C ATOM 388 C VAL A 29 61.550 2.849 -11.941 1.00 0.00 C ATOM 389 O VAL A 29 61.610 3.433 -10.876 1.00 0.00 O ATOM 390 CB VAL A 29 63.228 0.999 -11.798 1.00 0.00 C ATOM 391 CG1 VAL A 29 64.353 0.291 -12.550 1.00 0.00 C ATOM 392 CG2 VAL A 29 63.724 1.409 -10.413 1.00 0.00 C ATOM 0 H VAL A 29 64.249 3.513 -11.689 1.00 0.00 H new ATOM 0 HA VAL A 29 62.560 1.933 -13.610 1.00 0.00 H new ATOM 0 HB VAL A 29 62.377 0.328 -11.686 1.00 0.00 H new ATOM 0 HG11 VAL A 29 64.667 -0.590 -11.990 1.00 0.00 H new ATOM 0 HG12 VAL A 29 63.998 -0.013 -13.535 1.00 0.00 H new ATOM 0 HG13 VAL A 29 65.199 0.970 -12.663 1.00 0.00 H new ATOM 0 HG21 VAL A 29 64.032 0.522 -9.859 1.00 0.00 H new ATOM 0 HG22 VAL A 29 64.573 2.085 -10.516 1.00 0.00 H new ATOM 0 HG23 VAL A 29 62.922 1.913 -9.874 1.00 0.00 H new ATOM 402 N SER A 30 60.427 2.726 -12.593 1.00 0.00 N ATOM 403 CA SER A 30 59.161 3.299 -12.051 1.00 0.00 C ATOM 404 C SER A 30 58.827 2.673 -10.692 1.00 0.00 C ATOM 405 O SER A 30 58.167 3.279 -9.871 1.00 0.00 O ATOM 406 CB SER A 30 58.023 3.015 -13.035 1.00 0.00 C ATOM 407 OG SER A 30 57.729 1.625 -13.030 1.00 0.00 O ATOM 0 H SER A 30 60.331 2.247 -13.489 1.00 0.00 H new ATOM 0 HA SER A 30 59.285 4.374 -11.920 1.00 0.00 H new ATOM 0 HB2 SER A 30 57.137 3.586 -12.758 1.00 0.00 H new ATOM 0 HB3 SER A 30 58.307 3.334 -14.038 1.00 0.00 H new ATOM 0 HG SER A 30 56.999 1.443 -13.658 1.00 0.00 H new ATOM 413 N VAL A 31 59.249 1.461 -10.452 1.00 0.00 N ATOM 414 CA VAL A 31 58.923 0.804 -9.151 1.00 0.00 C ATOM 415 C VAL A 31 59.520 1.604 -7.985 1.00 0.00 C ATOM 416 O VAL A 31 58.877 1.811 -6.976 1.00 0.00 O ATOM 417 CB VAL A 31 59.492 -0.618 -9.137 1.00 0.00 C ATOM 418 CG1 VAL A 31 59.306 -1.233 -7.747 1.00 0.00 C ATOM 419 CG2 VAL A 31 58.753 -1.475 -10.165 1.00 0.00 C ATOM 0 H VAL A 31 59.803 0.898 -11.097 1.00 0.00 H new ATOM 0 HA VAL A 31 57.840 0.768 -9.038 1.00 0.00 H new ATOM 0 HB VAL A 31 60.553 -0.581 -9.383 1.00 0.00 H new ATOM 0 HG11 VAL A 31 59.712 -2.245 -7.740 1.00 0.00 H new ATOM 0 HG12 VAL A 31 59.830 -0.627 -7.008 1.00 0.00 H new ATOM 0 HG13 VAL A 31 58.244 -1.266 -7.503 1.00 0.00 H new ATOM 0 HG21 VAL A 31 59.159 -2.487 -10.154 1.00 0.00 H new ATOM 0 HG22 VAL A 31 57.692 -1.507 -9.917 1.00 0.00 H new ATOM 0 HG23 VAL A 31 58.881 -1.043 -11.158 1.00 0.00 H new ATOM 429 N CYS A 32 60.749 2.037 -8.104 1.00 0.00 N ATOM 430 CA CYS A 32 61.376 2.801 -6.984 1.00 0.00 C ATOM 431 C CYS A 32 60.722 4.179 -6.856 1.00 0.00 C ATOM 432 O CYS A 32 60.478 4.660 -5.766 1.00 0.00 O ATOM 433 CB CYS A 32 62.871 2.974 -7.263 1.00 0.00 C ATOM 434 SG CYS A 32 63.697 1.366 -7.172 1.00 0.00 S ATOM 0 H CYS A 32 61.342 1.896 -8.922 1.00 0.00 H new ATOM 0 HA CYS A 32 61.234 2.251 -6.054 1.00 0.00 H new ATOM 0 HB2 CYS A 32 63.018 3.414 -8.249 1.00 0.00 H new ATOM 0 HB3 CYS A 32 63.309 3.661 -6.539 1.00 0.00 H new ATOM 0 HG CYS A 32 64.694 1.437 -6.340 1.00 0.00 H new ATOM 439 N MET A 33 60.425 4.815 -7.954 1.00 0.00 N ATOM 440 CA MET A 33 59.781 6.157 -7.881 1.00 0.00 C ATOM 441 C MET A 33 58.310 5.997 -7.491 1.00 0.00 C ATOM 442 O MET A 33 57.687 6.916 -7.003 1.00 0.00 O ATOM 443 CB MET A 33 59.905 6.862 -9.247 1.00 0.00 C ATOM 444 CG MET A 33 61.245 7.606 -9.330 1.00 0.00 C ATOM 445 SD MET A 33 61.096 9.192 -8.456 1.00 0.00 S ATOM 446 CE MET A 33 62.348 8.923 -7.168 1.00 0.00 C ATOM 0 H MET A 33 60.599 4.466 -8.896 1.00 0.00 H new ATOM 0 HA MET A 33 60.279 6.765 -7.126 1.00 0.00 H new ATOM 0 HB2 MET A 33 59.835 6.130 -10.052 1.00 0.00 H new ATOM 0 HB3 MET A 33 59.081 7.563 -9.381 1.00 0.00 H new ATOM 0 HG2 MET A 33 62.038 7.004 -8.886 1.00 0.00 H new ATOM 0 HG3 MET A 33 61.518 7.774 -10.372 1.00 0.00 H new ATOM 0 HE1 MET A 33 62.127 9.555 -6.308 1.00 0.00 H new ATOM 0 HE2 MET A 33 62.336 7.877 -6.862 1.00 0.00 H new ATOM 0 HE3 MET A 33 63.333 9.175 -7.560 1.00 0.00 H new ATOM 456 N GLN A 34 57.749 4.837 -7.691 1.00 0.00 N ATOM 457 CA GLN A 34 56.324 4.639 -7.321 1.00 0.00 C ATOM 458 C GLN A 34 56.159 4.881 -5.818 1.00 0.00 C ATOM 459 O GLN A 34 55.193 5.467 -5.373 1.00 0.00 O ATOM 460 CB GLN A 34 55.901 3.204 -7.661 1.00 0.00 C ATOM 461 CG GLN A 34 54.428 2.998 -7.292 1.00 0.00 C ATOM 462 CD GLN A 34 53.971 1.617 -7.769 1.00 0.00 C ATOM 463 OE1 GLN A 34 54.719 0.661 -7.705 1.00 0.00 O ATOM 464 NE2 GLN A 34 52.766 1.471 -8.250 1.00 0.00 N ATOM 0 H GLN A 34 58.214 4.023 -8.093 1.00 0.00 H new ATOM 0 HA GLN A 34 55.699 5.338 -7.876 1.00 0.00 H new ATOM 0 HB2 GLN A 34 56.050 3.013 -8.724 1.00 0.00 H new ATOM 0 HB3 GLN A 34 56.524 2.493 -7.119 1.00 0.00 H new ATOM 0 HG2 GLN A 34 54.297 3.084 -6.213 1.00 0.00 H new ATOM 0 HG3 GLN A 34 53.815 3.774 -7.750 1.00 0.00 H new ATOM 0 HE21 GLN A 34 52.138 2.273 -8.304 1.00 0.00 H new ATOM 0 HE22 GLN A 34 52.453 0.555 -8.572 1.00 0.00 H new ATOM 473 N GLY A 35 57.102 4.434 -5.037 1.00 0.00 N ATOM 474 CA GLY A 35 57.010 4.628 -3.562 1.00 0.00 C ATOM 475 C GLY A 35 57.394 6.063 -3.186 1.00 0.00 C ATOM 476 O GLY A 35 56.696 6.726 -2.444 1.00 0.00 O ATOM 0 H GLY A 35 57.936 3.941 -5.357 1.00 0.00 H new ATOM 0 HA2 GLY A 35 55.996 4.416 -3.224 1.00 0.00 H new ATOM 0 HA3 GLY A 35 57.669 3.924 -3.055 1.00 0.00 H new ATOM 480 N LEU A 36 58.502 6.542 -3.684 1.00 0.00 N ATOM 481 CA LEU A 36 58.927 7.931 -3.341 1.00 0.00 C ATOM 482 C LEU A 36 57.888 8.931 -3.854 1.00 0.00 C ATOM 483 O LEU A 36 57.569 9.899 -3.192 1.00 0.00 O ATOM 484 CB LEU A 36 60.299 8.232 -3.973 1.00 0.00 C ATOM 485 CG LEU A 36 61.429 7.551 -3.169 1.00 0.00 C ATOM 486 CD1 LEU A 36 62.654 7.348 -4.066 1.00 0.00 C ATOM 487 CD2 LEU A 36 61.842 8.444 -1.992 1.00 0.00 C ATOM 0 H LEU A 36 59.128 6.036 -4.310 1.00 0.00 H new ATOM 0 HA LEU A 36 59.008 8.022 -2.258 1.00 0.00 H new ATOM 0 HB2 LEU A 36 60.316 7.879 -5.004 1.00 0.00 H new ATOM 0 HB3 LEU A 36 60.464 9.309 -4.002 1.00 0.00 H new ATOM 0 HG LEU A 36 61.065 6.591 -2.804 1.00 0.00 H new ATOM 0 HD11 LEU A 36 63.448 6.867 -3.494 1.00 0.00 H new ATOM 0 HD12 LEU A 36 62.384 6.717 -4.913 1.00 0.00 H new ATOM 0 HD13 LEU A 36 63.003 8.315 -4.430 1.00 0.00 H new ATOM 0 HD21 LEU A 36 62.639 7.958 -1.429 1.00 0.00 H new ATOM 0 HD22 LEU A 36 62.197 9.403 -2.370 1.00 0.00 H new ATOM 0 HD23 LEU A 36 60.984 8.606 -1.340 1.00 0.00 H new ATOM 499 N ASN A 37 57.354 8.710 -5.024 1.00 0.00 N ATOM 500 CA ASN A 37 56.341 9.659 -5.563 1.00 0.00 C ATOM 501 C ASN A 37 55.076 9.603 -4.698 1.00 0.00 C ATOM 502 O ASN A 37 54.455 10.612 -4.426 1.00 0.00 O ATOM 503 CB ASN A 37 55.988 9.272 -7.002 1.00 0.00 C ATOM 504 CG ASN A 37 57.186 9.557 -7.915 1.00 0.00 C ATOM 505 OD1 ASN A 37 58.094 10.268 -7.536 1.00 0.00 O ATOM 506 ND2 ASN A 37 57.221 9.040 -9.114 1.00 0.00 N ATOM 0 H ASN A 37 57.574 7.917 -5.627 1.00 0.00 H new ATOM 0 HA ASN A 37 56.750 10.669 -5.548 1.00 0.00 H new ATOM 0 HB2 ASN A 37 55.722 8.216 -7.051 1.00 0.00 H new ATOM 0 HB3 ASN A 37 55.118 9.836 -7.339 1.00 0.00 H new ATOM 0 HD21 ASN A 37 58.010 9.234 -9.730 1.00 0.00 H new ATOM 0 HD22 ASN A 37 56.459 8.442 -9.434 1.00 0.00 H new ATOM 513 N GLU A 38 54.682 8.433 -4.270 1.00 0.00 N ATOM 514 CA GLU A 38 53.449 8.326 -3.436 1.00 0.00 C ATOM 515 C GLU A 38 53.691 9.003 -2.083 1.00 0.00 C ATOM 516 O GLU A 38 52.786 9.541 -1.479 1.00 0.00 O ATOM 517 CB GLU A 38 53.091 6.850 -3.237 1.00 0.00 C ATOM 518 CG GLU A 38 51.697 6.738 -2.615 1.00 0.00 C ATOM 519 CD GLU A 38 51.241 5.277 -2.641 1.00 0.00 C ATOM 520 OE1 GLU A 38 51.936 4.468 -3.235 1.00 0.00 O ATOM 521 OE2 GLU A 38 50.202 4.992 -2.067 1.00 0.00 O ATOM 0 H GLU A 38 55.158 7.551 -4.460 1.00 0.00 H new ATOM 0 HA GLU A 38 52.619 8.824 -3.938 1.00 0.00 H new ATOM 0 HB2 GLU A 38 53.116 6.327 -4.193 1.00 0.00 H new ATOM 0 HB3 GLU A 38 53.827 6.371 -2.592 1.00 0.00 H new ATOM 0 HG2 GLU A 38 51.714 7.106 -1.589 1.00 0.00 H new ATOM 0 HG3 GLU A 38 50.991 7.360 -3.165 1.00 0.00 H new ATOM 528 N GLY A 39 54.913 9.000 -1.610 1.00 0.00 N ATOM 529 CA GLY A 39 55.219 9.663 -0.303 1.00 0.00 C ATOM 530 C GLY A 39 55.141 8.654 0.847 1.00 0.00 C ATOM 531 O GLY A 39 54.973 9.030 1.992 1.00 0.00 O ATOM 0 H GLY A 39 55.713 8.567 -2.072 1.00 0.00 H new ATOM 0 HA2 GLY A 39 56.214 10.106 -0.338 1.00 0.00 H new ATOM 0 HA3 GLY A 39 54.515 10.476 -0.128 1.00 0.00 H new ATOM 535 N LYS A 40 55.283 7.381 0.564 1.00 0.00 N ATOM 536 CA LYS A 40 55.240 6.353 1.651 1.00 0.00 C ATOM 537 C LYS A 40 56.664 5.896 1.904 1.00 0.00 C ATOM 538 O LYS A 40 56.935 5.073 2.756 1.00 0.00 O ATOM 539 CB LYS A 40 54.399 5.159 1.197 1.00 0.00 C ATOM 540 CG LYS A 40 52.931 5.577 1.097 1.00 0.00 C ATOM 541 CD LYS A 40 52.151 4.515 0.315 1.00 0.00 C ATOM 542 CE LYS A 40 52.140 3.194 1.092 1.00 0.00 C ATOM 543 NZ LYS A 40 51.108 2.289 0.513 1.00 0.00 N ATOM 0 H LYS A 40 55.427 7.009 -0.375 1.00 0.00 H new ATOM 0 HA LYS A 40 54.799 6.771 2.556 1.00 0.00 H new ATOM 0 HB2 LYS A 40 54.752 4.798 0.231 1.00 0.00 H new ATOM 0 HB3 LYS A 40 54.506 4.336 1.903 1.00 0.00 H new ATOM 0 HG2 LYS A 40 52.506 5.695 2.094 1.00 0.00 H new ATOM 0 HG3 LYS A 40 52.850 6.543 0.599 1.00 0.00 H new ATOM 0 HD2 LYS A 40 51.129 4.855 0.144 1.00 0.00 H new ATOM 0 HD3 LYS A 40 52.605 4.366 -0.665 1.00 0.00 H new ATOM 0 HE2 LYS A 40 53.122 2.723 1.044 1.00 0.00 H new ATOM 0 HE3 LYS A 40 51.927 3.380 2.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 51.099 1.392 1.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 50.173 2.740 0.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 51.331 2.103 -0.486 1.00 0.00 H new ATOM 557 N VAL A 41 57.574 6.436 1.146 1.00 0.00 N ATOM 558 CA VAL A 41 59.009 6.068 1.283 1.00 0.00 C ATOM 559 C VAL A 41 59.854 7.337 1.360 1.00 0.00 C ATOM 560 O VAL A 41 59.454 8.397 0.920 1.00 0.00 O ATOM 561 CB VAL A 41 59.425 5.277 0.050 1.00 0.00 C ATOM 562 CG1 VAL A 41 60.893 4.896 0.137 1.00 0.00 C ATOM 563 CG2 VAL A 41 58.565 4.012 -0.065 1.00 0.00 C ATOM 0 H VAL A 41 57.380 7.130 0.424 1.00 0.00 H new ATOM 0 HA VAL A 41 59.155 5.475 2.186 1.00 0.00 H new ATOM 0 HB VAL A 41 59.277 5.898 -0.834 1.00 0.00 H new ATOM 0 HG11 VAL A 41 61.176 4.331 -0.751 1.00 0.00 H new ATOM 0 HG12 VAL A 41 61.500 5.799 0.201 1.00 0.00 H new ATOM 0 HG13 VAL A 41 61.058 4.284 1.024 1.00 0.00 H new ATOM 0 HG21 VAL A 41 58.864 3.448 -0.948 1.00 0.00 H new ATOM 0 HG22 VAL A 41 58.703 3.396 0.824 1.00 0.00 H new ATOM 0 HG23 VAL A 41 57.515 4.292 -0.152 1.00 0.00 H new ATOM 573 N ARG A 42 61.028 7.216 1.902 1.00 0.00 N ATOM 574 CA ARG A 42 61.962 8.382 2.016 1.00 0.00 C ATOM 575 C ARG A 42 63.268 8.005 1.322 1.00 0.00 C ATOM 576 O ARG A 42 64.162 8.809 1.154 1.00 0.00 O ATOM 577 CB ARG A 42 62.223 8.685 3.498 1.00 0.00 C ATOM 578 CG ARG A 42 63.035 9.975 3.638 1.00 0.00 C ATOM 579 CD ARG A 42 63.143 10.354 5.116 1.00 0.00 C ATOM 580 NE ARG A 42 61.787 10.651 5.662 1.00 0.00 N ATOM 581 CZ ARG A 42 61.234 11.814 5.452 1.00 0.00 C ATOM 582 NH1 ARG A 42 61.857 12.711 4.736 1.00 0.00 N ATOM 583 NH2 ARG A 42 60.057 12.077 5.955 1.00 0.00 N ATOM 0 H ARG A 42 61.394 6.343 2.281 1.00 0.00 H new ATOM 0 HA ARG A 42 61.531 9.268 1.551 1.00 0.00 H new ATOM 0 HB2 ARG A 42 61.276 8.783 4.029 1.00 0.00 H new ATOM 0 HB3 ARG A 42 62.762 7.856 3.957 1.00 0.00 H new ATOM 0 HG2 ARG A 42 64.030 9.839 3.213 1.00 0.00 H new ATOM 0 HG3 ARG A 42 62.557 10.780 3.079 1.00 0.00 H new ATOM 0 HD2 ARG A 42 63.601 9.539 5.677 1.00 0.00 H new ATOM 0 HD3 ARG A 42 63.790 11.224 5.232 1.00 0.00 H new ATOM 0 HE ARG A 42 61.290 9.942 6.202 1.00 0.00 H new ATOM 0 HH11 ARG A 42 62.774 12.502 4.342 1.00 0.00 H new ATOM 0 HH12 ARG A 42 61.426 13.621 4.571 1.00 0.00 H new ATOM 0 HH21 ARG A 42 59.571 11.373 6.511 1.00 0.00 H new ATOM 0 HH22 ARG A 42 59.624 12.986 5.791 1.00 0.00 H new ATOM 597 N GLY A 43 63.372 6.770 0.916 1.00 0.00 N ATOM 598 CA GLY A 43 64.610 6.290 0.226 1.00 0.00 C ATOM 599 C GLY A 43 64.924 4.879 0.717 1.00 0.00 C ATOM 600 O GLY A 43 64.080 4.221 1.292 1.00 0.00 O ATOM 0 H GLY A 43 62.646 6.063 1.033 1.00 0.00 H new ATOM 0 HA2 GLY A 43 64.466 6.291 -0.854 1.00 0.00 H new ATOM 0 HA3 GLY A 43 65.444 6.959 0.437 1.00 0.00 H new ATOM 604 N VAL A 44 66.131 4.404 0.503 1.00 0.00 N ATOM 605 CA VAL A 44 66.503 3.027 0.970 1.00 0.00 C ATOM 606 C VAL A 44 67.661 3.142 1.959 1.00 0.00 C ATOM 607 O VAL A 44 68.667 3.757 1.677 1.00 0.00 O ATOM 608 CB VAL A 44 66.950 2.176 -0.232 1.00 0.00 C ATOM 609 CG1 VAL A 44 67.504 0.833 0.271 1.00 0.00 C ATOM 610 CG2 VAL A 44 65.754 1.916 -1.172 1.00 0.00 C ATOM 0 H VAL A 44 66.875 4.911 0.024 1.00 0.00 H new ATOM 0 HA VAL A 44 65.644 2.555 1.447 1.00 0.00 H new ATOM 0 HB VAL A 44 67.724 2.713 -0.780 1.00 0.00 H new ATOM 0 HG11 VAL A 44 67.821 0.229 -0.579 1.00 0.00 H new ATOM 0 HG12 VAL A 44 68.356 1.013 0.926 1.00 0.00 H new ATOM 0 HG13 VAL A 44 66.728 0.303 0.823 1.00 0.00 H new ATOM 0 HG21 VAL A 44 66.081 1.313 -2.019 1.00 0.00 H new ATOM 0 HG22 VAL A 44 64.973 1.384 -0.628 1.00 0.00 H new ATOM 0 HG23 VAL A 44 65.362 2.867 -1.533 1.00 0.00 H new ATOM 620 N SER A 45 67.536 2.548 3.113 1.00 0.00 N ATOM 621 CA SER A 45 68.642 2.623 4.105 1.00 0.00 C ATOM 622 C SER A 45 69.649 1.518 3.800 1.00 0.00 C ATOM 623 O SER A 45 69.281 0.394 3.525 1.00 0.00 O ATOM 624 CB SER A 45 68.082 2.430 5.517 1.00 0.00 C ATOM 625 OG SER A 45 67.111 1.393 5.496 1.00 0.00 O ATOM 0 H SER A 45 66.718 2.016 3.411 1.00 0.00 H new ATOM 0 HA SER A 45 69.128 3.597 4.045 1.00 0.00 H new ATOM 0 HB2 SER A 45 68.886 2.178 6.209 1.00 0.00 H new ATOM 0 HB3 SER A 45 67.634 3.357 5.873 1.00 0.00 H new ATOM 0 HG SER A 45 66.750 1.264 6.398 1.00 0.00 H new ATOM 631 N VAL A 46 70.917 1.830 3.865 1.00 0.00 N ATOM 632 CA VAL A 46 71.968 0.800 3.603 1.00 0.00 C ATOM 633 C VAL A 46 72.981 0.840 4.738 1.00 0.00 C ATOM 634 O VAL A 46 73.467 1.888 5.116 1.00 0.00 O ATOM 635 CB VAL A 46 72.691 1.077 2.280 1.00 0.00 C ATOM 636 CG1 VAL A 46 73.420 2.421 2.354 1.00 0.00 C ATOM 637 CG2 VAL A 46 73.712 -0.041 2.033 1.00 0.00 C ATOM 0 H VAL A 46 71.273 2.759 4.090 1.00 0.00 H new ATOM 0 HA VAL A 46 71.494 -0.179 3.540 1.00 0.00 H new ATOM 0 HB VAL A 46 71.965 1.111 1.467 1.00 0.00 H new ATOM 0 HG11 VAL A 46 73.931 2.610 1.410 1.00 0.00 H new ATOM 0 HG12 VAL A 46 72.699 3.216 2.542 1.00 0.00 H new ATOM 0 HG13 VAL A 46 74.150 2.395 3.163 1.00 0.00 H new ATOM 0 HG21 VAL A 46 74.234 0.144 1.094 1.00 0.00 H new ATOM 0 HG22 VAL A 46 74.433 -0.063 2.851 1.00 0.00 H new ATOM 0 HG23 VAL A 46 73.196 -1.000 1.979 1.00 0.00 H new ATOM 647 N SER A 47 73.308 -0.300 5.274 1.00 0.00 N ATOM 648 CA SER A 47 74.303 -0.372 6.382 1.00 0.00 C ATOM 649 C SER A 47 75.378 -1.358 5.963 1.00 0.00 C ATOM 650 O SER A 47 75.099 -2.354 5.330 1.00 0.00 O ATOM 651 CB SER A 47 73.628 -0.860 7.661 1.00 0.00 C ATOM 652 OG SER A 47 73.357 -2.252 7.555 1.00 0.00 O ATOM 0 H SER A 47 72.923 -1.200 4.988 1.00 0.00 H new ATOM 0 HA SER A 47 74.731 0.611 6.576 1.00 0.00 H new ATOM 0 HB2 SER A 47 74.271 -0.669 8.520 1.00 0.00 H new ATOM 0 HB3 SER A 47 72.702 -0.310 7.828 1.00 0.00 H new ATOM 0 HG SER A 47 72.925 -2.565 8.377 1.00 0.00 H new ATOM 658 N GLY A 48 76.607 -1.087 6.285 1.00 0.00 N ATOM 659 CA GLY A 48 77.702 -2.020 5.871 1.00 0.00 C ATOM 660 C GLY A 48 78.735 -2.147 6.980 1.00 0.00 C ATOM 661 O GLY A 48 79.116 -1.180 7.607 1.00 0.00 O ATOM 0 H GLY A 48 76.907 -0.267 6.813 1.00 0.00 H new ATOM 0 HA2 GLY A 48 77.285 -3.000 5.639 1.00 0.00 H new ATOM 0 HA3 GLY A 48 78.178 -1.652 4.962 1.00 0.00 H new ATOM 665 N VAL A 49 79.207 -3.343 7.199 1.00 0.00 N ATOM 666 CA VAL A 49 80.248 -3.582 8.240 1.00 0.00 C ATOM 667 C VAL A 49 81.471 -4.164 7.548 1.00 0.00 C ATOM 668 O VAL A 49 81.405 -5.217 6.944 1.00 0.00 O ATOM 669 CB VAL A 49 79.731 -4.583 9.284 1.00 0.00 C ATOM 670 CG1 VAL A 49 80.873 -5.001 10.215 1.00 0.00 C ATOM 671 CG2 VAL A 49 78.637 -3.930 10.125 1.00 0.00 C ATOM 0 H VAL A 49 78.911 -4.178 6.693 1.00 0.00 H new ATOM 0 HA VAL A 49 80.494 -2.648 8.746 1.00 0.00 H new ATOM 0 HB VAL A 49 79.335 -5.456 8.765 1.00 0.00 H new ATOM 0 HG11 VAL A 49 80.499 -5.711 10.953 1.00 0.00 H new ATOM 0 HG12 VAL A 49 81.666 -5.468 9.631 1.00 0.00 H new ATOM 0 HG13 VAL A 49 81.267 -4.122 10.725 1.00 0.00 H new ATOM 0 HG21 VAL A 49 78.272 -4.643 10.865 1.00 0.00 H new ATOM 0 HG22 VAL A 49 79.042 -3.055 10.633 1.00 0.00 H new ATOM 0 HG23 VAL A 49 77.814 -3.625 9.478 1.00 0.00 H new ATOM 681 N PHE A 50 82.590 -3.500 7.630 1.00 0.00 N ATOM 682 CA PHE A 50 83.816 -4.032 6.978 1.00 0.00 C ATOM 683 C PHE A 50 84.579 -4.863 8.007 1.00 0.00 C ATOM 684 O PHE A 50 85.013 -4.366 9.027 1.00 0.00 O ATOM 685 CB PHE A 50 84.688 -2.863 6.490 1.00 0.00 C ATOM 686 CG PHE A 50 84.152 -2.328 5.174 1.00 0.00 C ATOM 687 CD1 PHE A 50 84.154 -3.152 4.041 1.00 0.00 C ATOM 688 CD2 PHE A 50 83.658 -1.015 5.080 1.00 0.00 C ATOM 689 CE1 PHE A 50 83.665 -2.671 2.820 1.00 0.00 C ATOM 690 CE2 PHE A 50 83.171 -0.538 3.858 1.00 0.00 C ATOM 691 CZ PHE A 50 83.174 -1.365 2.729 1.00 0.00 C ATOM 0 H PHE A 50 82.707 -2.613 8.120 1.00 0.00 H new ATOM 0 HA PHE A 50 83.555 -4.651 6.120 1.00 0.00 H new ATOM 0 HB2 PHE A 50 84.698 -2.070 7.237 1.00 0.00 H new ATOM 0 HB3 PHE A 50 85.718 -3.195 6.364 1.00 0.00 H new ATOM 0 HD1 PHE A 50 84.534 -4.161 4.109 1.00 0.00 H new ATOM 0 HD2 PHE A 50 83.654 -0.375 5.950 1.00 0.00 H new ATOM 0 HE1 PHE A 50 83.667 -3.309 1.949 1.00 0.00 H new ATOM 0 HE2 PHE A 50 82.792 0.471 3.786 1.00 0.00 H new ATOM 0 HZ PHE A 50 82.797 -0.994 1.787 1.00 0.00 H new ATOM 701 N TYR A 51 84.735 -6.132 7.746 1.00 0.00 N ATOM 702 CA TYR A 51 85.460 -7.019 8.701 1.00 0.00 C ATOM 703 C TYR A 51 86.942 -7.026 8.335 1.00 0.00 C ATOM 704 O TYR A 51 87.312 -7.385 7.237 1.00 0.00 O ATOM 705 CB TYR A 51 84.895 -8.440 8.601 1.00 0.00 C ATOM 706 CG TYR A 51 83.495 -8.471 9.170 1.00 0.00 C ATOM 707 CD1 TYR A 51 83.298 -8.708 10.536 1.00 0.00 C ATOM 708 CD2 TYR A 51 82.393 -8.269 8.327 1.00 0.00 C ATOM 709 CE1 TYR A 51 82.000 -8.740 11.061 1.00 0.00 C ATOM 710 CE2 TYR A 51 81.093 -8.302 8.851 1.00 0.00 C ATOM 711 CZ TYR A 51 80.898 -8.537 10.219 1.00 0.00 C ATOM 712 OH TYR A 51 79.619 -8.566 10.740 1.00 0.00 O ATOM 0 H TYR A 51 84.389 -6.596 6.906 1.00 0.00 H new ATOM 0 HA TYR A 51 85.335 -6.655 9.721 1.00 0.00 H new ATOM 0 HB2 TYR A 51 84.883 -8.765 7.561 1.00 0.00 H new ATOM 0 HB3 TYR A 51 85.535 -9.135 9.144 1.00 0.00 H new ATOM 0 HD1 TYR A 51 84.147 -8.866 11.185 1.00 0.00 H new ATOM 0 HD2 TYR A 51 82.546 -8.088 7.273 1.00 0.00 H new ATOM 0 HE1 TYR A 51 81.848 -8.921 12.115 1.00 0.00 H new ATOM 0 HE2 TYR A 51 80.244 -8.147 8.202 1.00 0.00 H new ATOM 0 HH TYR A 51 78.970 -8.406 10.023 1.00 0.00 H new ATOM 722 N TYR A 52 87.791 -6.614 9.245 1.00 0.00 N ATOM 723 CA TYR A 52 89.260 -6.571 8.955 1.00 0.00 C ATOM 724 C TYR A 52 89.981 -7.710 9.675 1.00 0.00 C ATOM 725 O TYR A 52 89.705 -8.008 10.823 1.00 0.00 O ATOM 726 CB TYR A 52 89.823 -5.235 9.442 1.00 0.00 C ATOM 727 CG TYR A 52 89.216 -4.110 8.641 1.00 0.00 C ATOM 728 CD1 TYR A 52 89.748 -3.777 7.391 1.00 0.00 C ATOM 729 CD2 TYR A 52 88.122 -3.402 9.146 1.00 0.00 C ATOM 730 CE1 TYR A 52 89.186 -2.734 6.647 1.00 0.00 C ATOM 731 CE2 TYR A 52 87.558 -2.358 8.403 1.00 0.00 C ATOM 732 CZ TYR A 52 88.091 -2.023 7.151 1.00 0.00 C ATOM 733 OH TYR A 52 87.537 -0.992 6.417 1.00 0.00 O ATOM 0 H TYR A 52 87.529 -6.304 10.181 1.00 0.00 H new ATOM 0 HA TYR A 52 89.414 -6.680 7.881 1.00 0.00 H new ATOM 0 HB2 TYR A 52 89.604 -5.101 10.501 1.00 0.00 H new ATOM 0 HB3 TYR A 52 90.908 -5.226 9.337 1.00 0.00 H new ATOM 0 HD1 TYR A 52 90.593 -4.325 7.000 1.00 0.00 H new ATOM 0 HD2 TYR A 52 87.711 -3.661 10.111 1.00 0.00 H new ATOM 0 HE1 TYR A 52 89.598 -2.477 5.682 1.00 0.00 H new ATOM 0 HE2 TYR A 52 86.713 -1.811 8.794 1.00 0.00 H new ATOM 0 HH TYR A 52 86.784 -0.606 6.912 1.00 0.00 H new ATOM 743 N ASN A 53 90.923 -8.331 9.012 1.00 0.00 N ATOM 744 CA ASN A 53 91.688 -9.435 9.650 1.00 0.00 C ATOM 745 C ASN A 53 92.411 -8.864 10.861 1.00 0.00 C ATOM 746 O ASN A 53 92.889 -9.583 11.716 1.00 0.00 O ATOM 747 CB ASN A 53 92.706 -9.994 8.657 1.00 0.00 C ATOM 748 CG ASN A 53 93.269 -11.310 9.184 1.00 0.00 C ATOM 749 OD1 ASN A 53 92.828 -11.816 10.197 1.00 0.00 O ATOM 750 ND2 ASN A 53 94.244 -11.884 8.534 1.00 0.00 N ATOM 0 H ASN A 53 91.193 -8.117 8.052 1.00 0.00 H new ATOM 0 HA ASN A 53 91.017 -10.239 9.953 1.00 0.00 H new ATOM 0 HB2 ASN A 53 92.234 -10.152 7.687 1.00 0.00 H new ATOM 0 HB3 ASN A 53 93.513 -9.277 8.506 1.00 0.00 H new ATOM 0 HD21 ASN A 53 94.638 -12.760 8.876 1.00 0.00 H new ATOM 0 HD22 ASN A 53 94.612 -11.456 7.684 1.00 0.00 H new ATOM 757 N ASP A 54 92.486 -7.562 10.938 1.00 0.00 N ATOM 758 CA ASP A 54 93.168 -6.927 12.092 1.00 0.00 C ATOM 759 C ASP A 54 92.345 -7.223 13.346 1.00 0.00 C ATOM 760 O ASP A 54 92.681 -6.819 14.441 1.00 0.00 O ATOM 761 CB ASP A 54 93.244 -5.411 11.870 1.00 0.00 C ATOM 762 CG ASP A 54 94.264 -4.799 12.832 1.00 0.00 C ATOM 763 OD1 ASP A 54 93.975 -4.745 14.017 1.00 0.00 O ATOM 764 OD2 ASP A 54 95.319 -4.397 12.369 1.00 0.00 O ATOM 0 H ASP A 54 92.103 -6.915 10.249 1.00 0.00 H new ATOM 0 HA ASP A 54 94.180 -7.318 12.201 1.00 0.00 H new ATOM 0 HB2 ASP A 54 93.529 -5.199 10.840 1.00 0.00 H new ATOM 0 HB3 ASP A 54 92.264 -4.961 12.029 1.00 0.00 H new ATOM 769 N GLY A 55 91.268 -7.951 13.183 1.00 0.00 N ATOM 770 CA GLY A 55 90.411 -8.310 14.349 1.00 0.00 C ATOM 771 C GLY A 55 89.509 -7.139 14.728 1.00 0.00 C ATOM 772 O GLY A 55 88.954 -7.109 15.808 1.00 0.00 O ATOM 0 H GLY A 55 90.946 -8.313 12.285 1.00 0.00 H new ATOM 0 HA2 GLY A 55 89.803 -9.182 14.107 1.00 0.00 H new ATOM 0 HA3 GLY A 55 91.037 -8.584 15.198 1.00 0.00 H new ATOM 776 N THR A 56 89.358 -6.171 13.855 1.00 0.00 N ATOM 777 CA THR A 56 88.488 -4.989 14.170 1.00 0.00 C ATOM 778 C THR A 56 87.405 -4.836 13.114 1.00 0.00 C ATOM 779 O THR A 56 87.602 -5.145 11.961 1.00 0.00 O ATOM 780 CB THR A 56 89.338 -3.713 14.211 1.00 0.00 C ATOM 781 OG1 THR A 56 90.216 -3.686 13.092 1.00 0.00 O ATOM 782 CG2 THR A 56 90.144 -3.674 15.510 1.00 0.00 C ATOM 0 H THR A 56 89.800 -6.147 12.936 1.00 0.00 H new ATOM 0 HA THR A 56 88.021 -5.150 15.142 1.00 0.00 H new ATOM 0 HB THR A 56 88.685 -2.841 14.171 1.00 0.00 H new ATOM 0 HG1 THR A 56 90.756 -2.869 13.120 1.00 0.00 H new ATOM 0 HG21 THR A 56 90.747 -2.766 15.537 1.00 0.00 H new ATOM 0 HG22 THR A 56 89.463 -3.682 16.361 1.00 0.00 H new ATOM 0 HG23 THR A 56 90.797 -4.545 15.559 1.00 0.00 H new ATOM 790 N THR A 57 86.260 -4.342 13.512 1.00 0.00 N ATOM 791 CA THR A 57 85.135 -4.143 12.546 1.00 0.00 C ATOM 792 C THR A 57 84.636 -2.705 12.638 1.00 0.00 C ATOM 793 O THR A 57 84.511 -2.140 13.708 1.00 0.00 O ATOM 794 CB THR A 57 83.975 -5.087 12.890 1.00 0.00 C ATOM 795 OG1 THR A 57 83.448 -4.735 14.161 1.00 0.00 O ATOM 796 CG2 THR A 57 84.467 -6.538 12.923 1.00 0.00 C ATOM 0 H THR A 57 86.054 -4.066 14.472 1.00 0.00 H new ATOM 0 HA THR A 57 85.494 -4.354 11.539 1.00 0.00 H new ATOM 0 HB THR A 57 83.200 -4.995 12.129 1.00 0.00 H new ATOM 0 HG1 THR A 57 82.705 -5.334 14.385 1.00 0.00 H new ATOM 0 HG21 THR A 57 83.635 -7.199 13.168 1.00 0.00 H new ATOM 0 HG22 THR A 57 84.869 -6.808 11.947 1.00 0.00 H new ATOM 0 HG23 THR A 57 85.247 -6.641 13.678 1.00 0.00 H new ATOM 804 N SER A 58 84.327 -2.127 11.512 1.00 0.00 N ATOM 805 CA SER A 58 83.804 -0.730 11.471 1.00 0.00 C ATOM 806 C SER A 58 82.392 -0.791 10.902 1.00 0.00 C ATOM 807 O SER A 58 82.097 -1.638 10.089 1.00 0.00 O ATOM 808 CB SER A 58 84.687 0.120 10.558 1.00 0.00 C ATOM 809 OG SER A 58 84.182 1.445 10.527 1.00 0.00 O ATOM 0 H SER A 58 84.416 -2.572 10.599 1.00 0.00 H new ATOM 0 HA SER A 58 83.802 -0.287 12.467 1.00 0.00 H new ATOM 0 HB2 SER A 58 85.715 0.118 10.920 1.00 0.00 H new ATOM 0 HB3 SER A 58 84.703 -0.300 9.552 1.00 0.00 H new ATOM 0 HG SER A 58 84.745 1.996 9.944 1.00 0.00 H new ATOM 815 N ASN A 59 81.509 0.079 11.322 1.00 0.00 N ATOM 816 CA ASN A 59 80.107 0.041 10.795 1.00 0.00 C ATOM 817 C ASN A 59 79.682 1.447 10.382 1.00 0.00 C ATOM 818 O ASN A 59 79.623 2.345 11.199 1.00 0.00 O ATOM 819 CB ASN A 59 79.174 -0.467 11.901 1.00 0.00 C ATOM 820 CG ASN A 59 79.117 0.558 13.037 1.00 0.00 C ATOM 821 OD1 ASN A 59 78.285 1.446 13.030 1.00 0.00 O ATOM 822 ND2 ASN A 59 79.976 0.474 14.015 1.00 0.00 N ATOM 0 H ASN A 59 81.695 0.813 12.005 1.00 0.00 H new ATOM 0 HA ASN A 59 80.054 -0.622 9.931 1.00 0.00 H new ATOM 0 HB2 ASN A 59 78.175 -0.635 11.499 1.00 0.00 H new ATOM 0 HB3 ASN A 59 79.530 -1.425 12.280 1.00 0.00 H new ATOM 0 HD21 ASN A 59 79.951 1.153 14.776 1.00 0.00 H new ATOM 0 HD22 ASN A 59 80.673 -0.271 14.019 1.00 0.00 H new ATOM 829 N PHE A 60 79.363 1.639 9.121 1.00 0.00 N ATOM 830 CA PHE A 60 78.909 2.984 8.646 1.00 0.00 C ATOM 831 C PHE A 60 77.469 2.850 8.167 1.00 0.00 C ATOM 832 O PHE A 60 77.175 2.080 7.274 1.00 0.00 O ATOM 833 CB PHE A 60 79.799 3.461 7.495 1.00 0.00 C ATOM 834 CG PHE A 60 79.625 2.550 6.303 1.00 0.00 C ATOM 835 CD1 PHE A 60 80.399 1.391 6.197 1.00 0.00 C ATOM 836 CD2 PHE A 60 78.696 2.865 5.300 1.00 0.00 C ATOM 837 CE1 PHE A 60 80.249 0.546 5.094 1.00 0.00 C ATOM 838 CE2 PHE A 60 78.545 2.019 4.193 1.00 0.00 C ATOM 839 CZ PHE A 60 79.323 0.858 4.091 1.00 0.00 C ATOM 0 H PHE A 60 79.398 0.918 8.400 1.00 0.00 H new ATOM 0 HA PHE A 60 78.974 3.712 9.454 1.00 0.00 H new ATOM 0 HB2 PHE A 60 79.540 4.484 7.223 1.00 0.00 H new ATOM 0 HB3 PHE A 60 80.843 3.469 7.809 1.00 0.00 H new ATOM 0 HD1 PHE A 60 81.114 1.148 6.969 1.00 0.00 H new ATOM 0 HD2 PHE A 60 78.097 3.760 5.381 1.00 0.00 H new ATOM 0 HE1 PHE A 60 80.848 -0.349 5.015 1.00 0.00 H new ATOM 0 HE2 PHE A 60 77.831 2.261 3.420 1.00 0.00 H new ATOM 0 HZ PHE A 60 79.208 0.204 3.239 1.00 0.00 H new ATOM 849 N LYS A 61 76.570 3.588 8.756 1.00 0.00 N ATOM 850 CA LYS A 61 75.140 3.519 8.362 1.00 0.00 C ATOM 851 C LYS A 61 74.741 4.855 7.758 1.00 0.00 C ATOM 852 O LYS A 61 75.207 5.901 8.166 1.00 0.00 O ATOM 853 CB LYS A 61 74.289 3.239 9.597 1.00 0.00 C ATOM 854 CG LYS A 61 72.833 3.057 9.177 1.00 0.00 C ATOM 855 CD LYS A 61 71.987 2.758 10.410 1.00 0.00 C ATOM 856 CE LYS A 61 70.522 2.621 9.995 1.00 0.00 C ATOM 857 NZ LYS A 61 69.693 2.298 11.190 1.00 0.00 N ATOM 0 H LYS A 61 76.773 4.247 9.507 1.00 0.00 H new ATOM 0 HA LYS A 61 74.987 2.722 7.635 1.00 0.00 H new ATOM 0 HB2 LYS A 61 74.648 2.343 10.104 1.00 0.00 H new ATOM 0 HB3 LYS A 61 74.375 4.063 10.306 1.00 0.00 H new ATOM 0 HG2 LYS A 61 72.470 3.958 8.682 1.00 0.00 H new ATOM 0 HG3 LYS A 61 72.749 2.242 8.458 1.00 0.00 H new ATOM 0 HD2 LYS A 61 72.330 1.839 10.886 1.00 0.00 H new ATOM 0 HD3 LYS A 61 72.096 3.557 11.143 1.00 0.00 H new ATOM 0 HE2 LYS A 61 70.175 3.548 9.538 1.00 0.00 H new ATOM 0 HE3 LYS A 61 70.418 1.837 9.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 68.697 2.205 10.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 70.019 1.403 11.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 69.784 3.060 11.892 1.00 0.00 H new ATOM 871 N GLY A 62 73.886 4.829 6.791 1.00 0.00 N ATOM 872 CA GLY A 62 73.451 6.101 6.147 1.00 0.00 C ATOM 873 C GLY A 62 72.257 5.839 5.225 1.00 0.00 C ATOM 874 O GLY A 62 71.889 4.708 4.981 1.00 0.00 O ATOM 0 H GLY A 62 73.463 3.983 6.411 1.00 0.00 H new ATOM 0 HA2 GLY A 62 73.179 6.830 6.910 1.00 0.00 H new ATOM 0 HA3 GLY A 62 74.275 6.530 5.576 1.00 0.00 H new ATOM 878 N VAL A 63 71.645 6.883 4.717 1.00 0.00 N ATOM 879 CA VAL A 63 70.461 6.721 3.809 1.00 0.00 C ATOM 880 C VAL A 63 70.835 7.137 2.382 1.00 0.00 C ATOM 881 O VAL A 63 71.328 8.223 2.153 1.00 0.00 O ATOM 882 CB VAL A 63 69.326 7.611 4.319 1.00 0.00 C ATOM 883 CG1 VAL A 63 68.105 7.481 3.403 1.00 0.00 C ATOM 884 CG2 VAL A 63 68.950 7.168 5.733 1.00 0.00 C ATOM 0 H VAL A 63 71.917 7.850 4.894 1.00 0.00 H new ATOM 0 HA VAL A 63 70.145 5.678 3.801 1.00 0.00 H new ATOM 0 HB VAL A 63 69.653 8.651 4.326 1.00 0.00 H new ATOM 0 HG11 VAL A 63 67.302 8.118 3.774 1.00 0.00 H new ATOM 0 HG12 VAL A 63 68.374 7.788 2.392 1.00 0.00 H new ATOM 0 HG13 VAL A 63 67.769 6.444 3.390 1.00 0.00 H new ATOM 0 HG21 VAL A 63 68.141 7.795 6.108 1.00 0.00 H new ATOM 0 HG22 VAL A 63 68.624 6.128 5.714 1.00 0.00 H new ATOM 0 HG23 VAL A 63 69.817 7.264 6.387 1.00 0.00 H new ATOM 894 N VAL A 64 70.597 6.282 1.418 1.00 0.00 N ATOM 895 CA VAL A 64 70.931 6.626 0.002 1.00 0.00 C ATOM 896 C VAL A 64 69.707 7.235 -0.682 1.00 0.00 C ATOM 897 O VAL A 64 68.667 6.611 -0.796 1.00 0.00 O ATOM 898 CB VAL A 64 71.340 5.363 -0.760 1.00 0.00 C ATOM 899 CG1 VAL A 64 71.565 5.709 -2.237 1.00 0.00 C ATOM 900 CG2 VAL A 64 72.633 4.801 -0.166 1.00 0.00 C ATOM 0 H VAL A 64 70.185 5.359 1.552 1.00 0.00 H new ATOM 0 HA VAL A 64 71.754 7.340 -0.000 1.00 0.00 H new ATOM 0 HB VAL A 64 70.549 4.617 -0.676 1.00 0.00 H new ATOM 0 HG11 VAL A 64 71.856 4.810 -2.781 1.00 0.00 H new ATOM 0 HG12 VAL A 64 70.644 6.108 -2.662 1.00 0.00 H new ATOM 0 HG13 VAL A 64 72.355 6.455 -2.320 1.00 0.00 H new ATOM 0 HG21 VAL A 64 72.923 3.902 -0.710 1.00 0.00 H new ATOM 0 HG22 VAL A 64 73.425 5.546 -0.248 1.00 0.00 H new ATOM 0 HG23 VAL A 64 72.474 4.555 0.884 1.00 0.00 H new ATOM 910 N THR A 65 69.840 8.451 -1.149 1.00 0.00 N ATOM 911 CA THR A 65 68.717 9.140 -1.856 1.00 0.00 C ATOM 912 C THR A 65 69.245 9.623 -3.211 1.00 0.00 C ATOM 913 O THR A 65 70.421 9.903 -3.343 1.00 0.00 O ATOM 914 CB THR A 65 68.258 10.352 -1.032 1.00 0.00 C ATOM 915 OG1 THR A 65 69.243 11.371 -1.117 1.00 0.00 O ATOM 916 CG2 THR A 65 68.067 9.956 0.435 1.00 0.00 C ATOM 0 H THR A 65 70.693 9.004 -1.069 1.00 0.00 H new ATOM 0 HA THR A 65 67.875 8.460 -1.988 1.00 0.00 H new ATOM 0 HB THR A 65 67.309 10.713 -1.427 1.00 0.00 H new ATOM 0 HG1 THR A 65 69.955 11.192 -0.468 1.00 0.00 H new ATOM 0 HG21 THR A 65 67.742 10.825 1.007 1.00 0.00 H new ATOM 0 HG22 THR A 65 67.313 9.172 0.505 1.00 0.00 H new ATOM 0 HG23 THR A 65 69.011 9.589 0.839 1.00 0.00 H new ATOM 924 N PRO A 66 68.414 9.730 -4.218 1.00 0.00 N ATOM 925 CA PRO A 66 68.872 10.197 -5.559 1.00 0.00 C ATOM 926 C PRO A 66 69.599 11.542 -5.470 1.00 0.00 C ATOM 927 O PRO A 66 70.180 12.008 -6.430 1.00 0.00 O ATOM 928 CB PRO A 66 67.571 10.298 -6.391 1.00 0.00 C ATOM 929 CG PRO A 66 66.458 10.272 -5.387 1.00 0.00 C ATOM 930 CD PRO A 66 66.970 9.435 -4.218 1.00 0.00 C ATOM 0 HA PRO A 66 69.596 9.519 -6.010 1.00 0.00 H new ATOM 0 HB2 PRO A 66 67.550 11.216 -6.978 1.00 0.00 H new ATOM 0 HB3 PRO A 66 67.487 9.468 -7.093 1.00 0.00 H new ATOM 0 HG2 PRO A 66 66.201 11.280 -5.063 1.00 0.00 H new ATOM 0 HG3 PRO A 66 65.556 9.835 -5.815 1.00 0.00 H new ATOM 0 HD2 PRO A 66 66.498 9.721 -3.278 1.00 0.00 H new ATOM 0 HD3 PRO A 66 66.773 8.373 -4.363 1.00 0.00 H new ATOM 938 N SER A 67 69.569 12.167 -4.319 1.00 0.00 N ATOM 939 CA SER A 67 70.257 13.486 -4.144 1.00 0.00 C ATOM 940 C SER A 67 71.469 13.334 -3.211 1.00 0.00 C ATOM 941 O SER A 67 72.337 14.181 -3.185 1.00 0.00 O ATOM 942 CB SER A 67 69.272 14.479 -3.528 1.00 0.00 C ATOM 943 OG SER A 67 68.199 14.701 -4.436 1.00 0.00 O ATOM 0 H SER A 67 69.094 11.818 -3.486 1.00 0.00 H new ATOM 0 HA SER A 67 70.600 13.844 -5.115 1.00 0.00 H new ATOM 0 HB2 SER A 67 68.890 14.092 -2.583 1.00 0.00 H new ATOM 0 HB3 SER A 67 69.777 15.419 -3.306 1.00 0.00 H new ATOM 0 HG SER A 67 67.564 15.336 -4.043 1.00 0.00 H new ATOM 949 N THR A 68 71.528 12.275 -2.430 1.00 0.00 N ATOM 950 CA THR A 68 72.684 12.093 -1.483 1.00 0.00 C ATOM 951 C THR A 68 73.232 10.647 -1.556 1.00 0.00 C ATOM 952 O THR A 68 72.588 9.728 -1.088 1.00 0.00 O ATOM 953 CB THR A 68 72.189 12.359 -0.060 1.00 0.00 C ATOM 954 OG1 THR A 68 71.466 11.228 0.404 1.00 0.00 O ATOM 955 CG2 THR A 68 71.281 13.592 -0.052 1.00 0.00 C ATOM 0 H THR A 68 70.830 11.532 -2.407 1.00 0.00 H new ATOM 0 HA THR A 68 73.481 12.784 -1.757 1.00 0.00 H new ATOM 0 HB THR A 68 73.041 12.540 0.595 1.00 0.00 H new ATOM 0 HG1 THR A 68 72.057 10.446 0.421 1.00 0.00 H new ATOM 0 HG21 THR A 68 70.930 13.779 0.963 1.00 0.00 H new ATOM 0 HG22 THR A 68 71.840 14.458 -0.408 1.00 0.00 H new ATOM 0 HG23 THR A 68 70.426 13.418 -0.705 1.00 0.00 H new ATOM 963 N PRO A 69 74.416 10.437 -2.109 1.00 0.00 N ATOM 964 CA PRO A 69 75.032 9.076 -2.201 1.00 0.00 C ATOM 965 C PRO A 69 75.837 8.713 -0.936 1.00 0.00 C ATOM 966 O PRO A 69 76.174 9.573 -0.145 1.00 0.00 O ATOM 967 CB PRO A 69 75.956 9.217 -3.411 1.00 0.00 C ATOM 968 CG PRO A 69 76.441 10.632 -3.345 1.00 0.00 C ATOM 969 CD PRO A 69 75.300 11.454 -2.719 1.00 0.00 C ATOM 0 HA PRO A 69 74.291 8.282 -2.294 1.00 0.00 H new ATOM 0 HB2 PRO A 69 76.784 8.510 -3.363 1.00 0.00 H new ATOM 0 HB3 PRO A 69 75.424 9.022 -4.342 1.00 0.00 H new ATOM 0 HG2 PRO A 69 77.347 10.704 -2.743 1.00 0.00 H new ATOM 0 HG3 PRO A 69 76.688 11.005 -4.339 1.00 0.00 H new ATOM 0 HD2 PRO A 69 75.676 12.154 -1.973 1.00 0.00 H new ATOM 0 HD3 PRO A 69 74.773 12.041 -3.471 1.00 0.00 H new ATOM 977 N VAL A 70 76.148 7.446 -0.743 1.00 0.00 N ATOM 978 CA VAL A 70 76.930 7.008 0.469 1.00 0.00 C ATOM 979 C VAL A 70 78.249 6.361 0.029 1.00 0.00 C ATOM 980 O VAL A 70 78.279 5.507 -0.832 1.00 0.00 O ATOM 981 CB VAL A 70 76.105 5.999 1.270 1.00 0.00 C ATOM 982 CG1 VAL A 70 76.887 5.548 2.505 1.00 0.00 C ATOM 983 CG2 VAL A 70 74.813 6.672 1.732 1.00 0.00 C ATOM 0 H VAL A 70 75.891 6.690 -1.378 1.00 0.00 H new ATOM 0 HA VAL A 70 77.147 7.876 1.092 1.00 0.00 H new ATOM 0 HB VAL A 70 75.885 5.136 0.642 1.00 0.00 H new ATOM 0 HG11 VAL A 70 76.293 4.830 3.070 1.00 0.00 H new ATOM 0 HG12 VAL A 70 77.821 5.081 2.194 1.00 0.00 H new ATOM 0 HG13 VAL A 70 77.105 6.412 3.133 1.00 0.00 H new ATOM 0 HG21 VAL A 70 74.217 5.961 2.304 1.00 0.00 H new ATOM 0 HG22 VAL A 70 75.054 7.531 2.359 1.00 0.00 H new ATOM 0 HG23 VAL A 70 74.245 7.005 0.863 1.00 0.00 H new ATOM 993 N ASN A 71 79.345 6.785 0.606 1.00 0.00 N ATOM 994 CA ASN A 71 80.681 6.228 0.218 1.00 0.00 C ATOM 995 C ASN A 71 81.152 5.179 1.242 1.00 0.00 C ATOM 996 O ASN A 71 81.269 5.461 2.417 1.00 0.00 O ATOM 997 CB ASN A 71 81.686 7.379 0.193 1.00 0.00 C ATOM 998 CG ASN A 71 81.139 8.517 -0.673 1.00 0.00 C ATOM 999 OD1 ASN A 71 80.732 8.300 -1.797 1.00 0.00 O ATOM 1000 ND2 ASN A 71 81.104 9.730 -0.187 1.00 0.00 N ATOM 0 H ASN A 71 79.374 7.498 1.335 1.00 0.00 H new ATOM 0 HA ASN A 71 80.604 5.751 -0.759 1.00 0.00 H new ATOM 0 HB2 ASN A 71 81.871 7.736 1.206 1.00 0.00 H new ATOM 0 HB3 ASN A 71 82.641 7.033 -0.203 1.00 0.00 H new ATOM 0 HD21 ASN A 71 80.735 10.495 -0.752 1.00 0.00 H new ATOM 0 HD22 ASN A 71 81.446 9.911 0.757 1.00 0.00 H new ATOM 1007 N THR A 72 81.442 3.975 0.807 1.00 0.00 N ATOM 1008 CA THR A 72 81.926 2.919 1.756 1.00 0.00 C ATOM 1009 C THR A 72 83.458 2.975 1.813 1.00 0.00 C ATOM 1010 O THR A 72 84.094 2.200 2.499 1.00 0.00 O ATOM 1011 CB THR A 72 81.484 1.531 1.249 1.00 0.00 C ATOM 1012 OG1 THR A 72 82.526 0.953 0.472 1.00 0.00 O ATOM 1013 CG2 THR A 72 80.232 1.669 0.382 1.00 0.00 C ATOM 0 H THR A 72 81.365 3.677 -0.165 1.00 0.00 H new ATOM 0 HA THR A 72 81.508 3.090 2.748 1.00 0.00 H new ATOM 0 HB THR A 72 81.265 0.893 2.106 1.00 0.00 H new ATOM 0 HG1 THR A 72 82.244 0.071 0.152 1.00 0.00 H new ATOM 0 HG21 THR A 72 79.925 0.685 0.027 1.00 0.00 H new ATOM 0 HG22 THR A 72 79.428 2.109 0.972 1.00 0.00 H new ATOM 0 HG23 THR A 72 80.449 2.311 -0.472 1.00 0.00 H new ATOM 1021 N ASN A 73 84.052 3.880 1.085 1.00 0.00 N ATOM 1022 CA ASN A 73 85.541 3.992 1.076 1.00 0.00 C ATOM 1023 C ASN A 73 86.043 4.436 2.453 1.00 0.00 C ATOM 1024 O ASN A 73 86.813 5.368 2.570 1.00 0.00 O ATOM 1025 CB ASN A 73 85.958 5.026 0.030 1.00 0.00 C ATOM 1026 CG ASN A 73 85.434 6.404 0.445 1.00 0.00 C ATOM 1027 OD1 ASN A 73 84.626 6.511 1.344 1.00 0.00 O ATOM 1028 ND2 ASN A 73 85.860 7.468 -0.179 1.00 0.00 N ATOM 0 H ASN A 73 83.567 4.553 0.491 1.00 0.00 H new ATOM 0 HA ASN A 73 85.973 3.021 0.835 1.00 0.00 H new ATOM 0 HB2 ASN A 73 87.044 5.050 -0.062 1.00 0.00 H new ATOM 0 HB3 ASN A 73 85.561 4.752 -0.947 1.00 0.00 H new ATOM 0 HD21 ASN A 73 85.514 8.389 0.089 1.00 0.00 H new ATOM 0 HD22 ASN A 73 86.539 7.378 -0.935 1.00 0.00 H new ATOM 1035 N GLN A 74 85.615 3.783 3.493 1.00 0.00 N ATOM 1036 CA GLN A 74 86.072 4.181 4.854 1.00 0.00 C ATOM 1037 C GLN A 74 87.603 4.180 4.907 1.00 0.00 C ATOM 1038 O GLN A 74 88.243 5.126 4.492 1.00 0.00 O ATOM 1039 CB GLN A 74 85.519 3.192 5.883 1.00 0.00 C ATOM 1040 CG GLN A 74 83.987 3.243 5.862 1.00 0.00 C ATOM 1041 CD GLN A 74 83.511 4.618 6.339 1.00 0.00 C ATOM 1042 OE1 GLN A 74 83.963 5.113 7.351 1.00 0.00 O ATOM 1043 NE2 GLN A 74 82.614 5.265 5.643 1.00 0.00 N ATOM 0 H GLN A 74 84.971 2.993 3.463 1.00 0.00 H new ATOM 0 HA GLN A 74 85.709 5.183 5.081 1.00 0.00 H new ATOM 0 HB2 GLN A 74 85.864 2.183 5.657 1.00 0.00 H new ATOM 0 HB3 GLN A 74 85.889 3.440 6.878 1.00 0.00 H new ATOM 0 HG2 GLN A 74 83.621 3.050 4.854 1.00 0.00 H new ATOM 0 HG3 GLN A 74 83.578 2.463 6.504 1.00 0.00 H new ATOM 0 HE21 GLN A 74 82.233 4.851 4.792 1.00 0.00 H new ATOM 0 HE22 GLN A 74 82.295 6.184 5.950 1.00 0.00 H new ATOM 1052 N ASP A 75 88.200 3.124 5.410 1.00 0.00 N ATOM 1053 CA ASP A 75 89.695 3.058 5.487 1.00 0.00 C ATOM 1054 C ASP A 75 90.218 2.144 4.373 1.00 0.00 C ATOM 1055 O ASP A 75 90.435 0.964 4.571 1.00 0.00 O ATOM 1056 CB ASP A 75 90.111 2.494 6.850 1.00 0.00 C ATOM 1057 CG ASP A 75 89.721 3.481 7.953 1.00 0.00 C ATOM 1058 OD1 ASP A 75 89.406 4.612 7.626 1.00 0.00 O ATOM 1059 OD2 ASP A 75 89.747 3.087 9.109 1.00 0.00 O ATOM 0 H ASP A 75 87.714 2.303 5.771 1.00 0.00 H new ATOM 0 HA ASP A 75 90.113 4.057 5.366 1.00 0.00 H new ATOM 0 HB2 ASP A 75 89.627 1.532 7.020 1.00 0.00 H new ATOM 0 HB3 ASP A 75 91.186 2.317 6.869 1.00 0.00 H new ATOM 1064 N ILE A 76 90.411 2.686 3.203 1.00 0.00 N ATOM 1065 CA ILE A 76 90.913 1.875 2.055 1.00 0.00 C ATOM 1066 C ILE A 76 92.349 1.436 2.318 1.00 0.00 C ATOM 1067 O ILE A 76 92.742 0.329 2.009 1.00 0.00 O ATOM 1068 CB ILE A 76 90.846 2.739 0.787 1.00 0.00 C ATOM 1069 CG1 ILE A 76 90.929 1.850 -0.463 1.00 0.00 C ATOM 1070 CG2 ILE A 76 92.006 3.744 0.765 1.00 0.00 C ATOM 1071 CD1 ILE A 76 89.648 1.014 -0.628 1.00 0.00 C ATOM 0 H ILE A 76 90.240 3.669 2.989 1.00 0.00 H new ATOM 0 HA ILE A 76 90.300 0.983 1.928 1.00 0.00 H new ATOM 0 HB ILE A 76 89.899 3.279 0.790 1.00 0.00 H new ATOM 0 HG12 ILE A 76 91.079 2.471 -1.346 1.00 0.00 H new ATOM 0 HG13 ILE A 76 91.792 1.189 -0.387 1.00 0.00 H new ATOM 0 HG21 ILE A 76 91.946 4.350 -0.139 1.00 0.00 H new ATOM 0 HG22 ILE A 76 91.943 4.391 1.640 1.00 0.00 H new ATOM 0 HG23 ILE A 76 92.954 3.206 0.779 1.00 0.00 H new ATOM 0 HD11 ILE A 76 89.731 0.393 -1.520 1.00 0.00 H new ATOM 0 HD12 ILE A 76 89.514 0.377 0.246 1.00 0.00 H new ATOM 0 HD13 ILE A 76 88.790 1.679 -0.728 1.00 0.00 H new ATOM 1083 N ASN A 77 93.134 2.304 2.876 1.00 0.00 N ATOM 1084 CA ASN A 77 94.551 1.943 3.152 1.00 0.00 C ATOM 1085 C ASN A 77 94.555 0.732 4.084 1.00 0.00 C ATOM 1086 O ASN A 77 95.330 -0.190 3.924 1.00 0.00 O ATOM 1087 CB ASN A 77 95.257 3.117 3.832 1.00 0.00 C ATOM 1088 CG ASN A 77 95.432 4.260 2.831 1.00 0.00 C ATOM 1089 OD1 ASN A 77 95.452 4.039 1.636 1.00 0.00 O ATOM 1090 ND2 ASN A 77 95.556 5.482 3.272 1.00 0.00 N ATOM 0 H ASN A 77 92.861 3.247 3.154 1.00 0.00 H new ATOM 0 HA ASN A 77 95.072 1.710 2.223 1.00 0.00 H new ATOM 0 HB2 ASN A 77 94.676 3.457 4.689 1.00 0.00 H new ATOM 0 HB3 ASN A 77 96.229 2.800 4.211 1.00 0.00 H new ATOM 0 HD21 ASN A 77 95.670 6.253 2.614 1.00 0.00 H new ATOM 0 HD22 ASN A 77 95.539 5.666 4.275 1.00 0.00 H new ATOM 1097 N LYS A 78 93.670 0.721 5.038 1.00 0.00 N ATOM 1098 CA LYS A 78 93.582 -0.437 5.968 1.00 0.00 C ATOM 1099 C LYS A 78 93.114 -1.674 5.200 1.00 0.00 C ATOM 1100 O LYS A 78 93.579 -2.774 5.428 1.00 0.00 O ATOM 1101 CB LYS A 78 92.542 -0.113 7.048 1.00 0.00 C ATOM 1102 CG LYS A 78 92.402 -1.279 8.041 1.00 0.00 C ATOM 1103 CD LYS A 78 91.139 -1.073 8.880 1.00 0.00 C ATOM 1104 CE LYS A 78 91.291 0.156 9.787 1.00 0.00 C ATOM 1105 NZ LYS A 78 92.663 0.202 10.371 1.00 0.00 N ATOM 0 H LYS A 78 92.999 1.469 5.215 1.00 0.00 H new ATOM 0 HA LYS A 78 94.558 -0.628 6.415 1.00 0.00 H new ATOM 0 HB2 LYS A 78 92.835 0.791 7.581 1.00 0.00 H new ATOM 0 HB3 LYS A 78 91.578 0.090 6.581 1.00 0.00 H new ATOM 0 HG2 LYS A 78 92.346 -2.226 7.504 1.00 0.00 H new ATOM 0 HG3 LYS A 78 93.278 -1.330 8.687 1.00 0.00 H new ATOM 0 HD2 LYS A 78 90.277 -0.945 8.225 1.00 0.00 H new ATOM 0 HD3 LYS A 78 90.950 -1.959 9.486 1.00 0.00 H new ATOM 0 HE2 LYS A 78 91.101 1.064 9.215 1.00 0.00 H new ATOM 0 HE3 LYS A 78 90.550 0.121 10.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 92.650 0.767 11.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 92.980 -0.764 10.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 93.317 0.636 9.688 1.00 0.00 H new ATOM 1119 N THR A 79 92.162 -1.509 4.321 1.00 0.00 N ATOM 1120 CA THR A 79 91.624 -2.681 3.577 1.00 0.00 C ATOM 1121 C THR A 79 92.700 -3.292 2.669 1.00 0.00 C ATOM 1122 O THR A 79 92.956 -4.468 2.731 1.00 0.00 O ATOM 1123 CB THR A 79 90.363 -2.240 2.801 1.00 0.00 C ATOM 1124 OG1 THR A 79 89.225 -2.828 3.414 1.00 0.00 O ATOM 1125 CG2 THR A 79 90.397 -2.662 1.325 1.00 0.00 C ATOM 0 H THR A 79 91.735 -0.613 4.087 1.00 0.00 H new ATOM 0 HA THR A 79 91.336 -3.470 4.272 1.00 0.00 H new ATOM 0 HB THR A 79 90.322 -1.151 2.831 1.00 0.00 H new ATOM 0 HG1 THR A 79 88.416 -2.555 2.932 1.00 0.00 H new ATOM 0 HG21 THR A 79 89.486 -2.326 0.829 1.00 0.00 H new ATOM 0 HG22 THR A 79 91.262 -2.213 0.838 1.00 0.00 H new ATOM 0 HG23 THR A 79 90.467 -3.748 1.259 1.00 0.00 H new ATOM 1133 N ASN A 80 93.346 -2.535 1.839 1.00 0.00 N ATOM 1134 CA ASN A 80 94.388 -3.165 0.980 1.00 0.00 C ATOM 1135 C ASN A 80 95.487 -3.738 1.872 1.00 0.00 C ATOM 1136 O ASN A 80 96.158 -4.685 1.514 1.00 0.00 O ATOM 1137 CB ASN A 80 94.984 -2.142 0.014 1.00 0.00 C ATOM 1138 CG ASN A 80 95.312 -0.852 0.760 1.00 0.00 C ATOM 1139 OD1 ASN A 80 94.729 0.177 0.492 1.00 0.00 O ATOM 1140 ND2 ASN A 80 96.230 -0.862 1.688 1.00 0.00 N ATOM 0 H ASN A 80 93.208 -1.532 1.715 1.00 0.00 H new ATOM 0 HA ASN A 80 93.932 -3.962 0.393 1.00 0.00 H new ATOM 0 HB2 ASN A 80 95.886 -2.546 -0.446 1.00 0.00 H new ATOM 0 HB3 ASN A 80 94.280 -1.937 -0.792 1.00 0.00 H new ATOM 0 HD21 ASN A 80 96.458 -0.003 2.189 1.00 0.00 H new ATOM 0 HD22 ASN A 80 96.719 -1.728 1.912 1.00 0.00 H new ATOM 1147 N LYS A 81 95.689 -3.167 3.026 1.00 0.00 N ATOM 1148 CA LYS A 81 96.760 -3.678 3.927 1.00 0.00 C ATOM 1149 C LYS A 81 96.439 -5.107 4.387 1.00 0.00 C ATOM 1150 O LYS A 81 97.271 -5.989 4.288 1.00 0.00 O ATOM 1151 CB LYS A 81 96.859 -2.750 5.140 1.00 0.00 C ATOM 1152 CG LYS A 81 98.013 -3.182 6.049 1.00 0.00 C ATOM 1153 CD LYS A 81 98.020 -2.311 7.310 1.00 0.00 C ATOM 1154 CE LYS A 81 98.241 -0.837 6.943 1.00 0.00 C ATOM 1155 NZ LYS A 81 98.767 -0.109 8.135 1.00 0.00 N ATOM 0 H LYS A 81 95.161 -2.371 3.384 1.00 0.00 H new ATOM 0 HA LYS A 81 97.709 -3.698 3.391 1.00 0.00 H new ATOM 0 HB2 LYS A 81 97.013 -1.723 4.809 1.00 0.00 H new ATOM 0 HB3 LYS A 81 95.922 -2.768 5.697 1.00 0.00 H new ATOM 0 HG2 LYS A 81 97.904 -4.232 6.320 1.00 0.00 H new ATOM 0 HG3 LYS A 81 98.962 -3.085 5.522 1.00 0.00 H new ATOM 0 HD2 LYS A 81 97.075 -2.422 7.841 1.00 0.00 H new ATOM 0 HD3 LYS A 81 98.807 -2.646 7.986 1.00 0.00 H new ATOM 0 HE2 LYS A 81 98.944 -0.758 6.114 1.00 0.00 H new ATOM 0 HE3 LYS A 81 97.305 -0.388 6.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 98.919 0.891 7.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 98.081 -0.176 8.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 99.669 -0.534 8.431 1.00 0.00 H new ATOM 1169 N VAL A 82 95.250 -5.342 4.898 1.00 0.00 N ATOM 1170 CA VAL A 82 94.885 -6.720 5.379 1.00 0.00 C ATOM 1171 C VAL A 82 93.729 -7.296 4.550 1.00 0.00 C ATOM 1172 O VAL A 82 93.550 -8.496 4.481 1.00 0.00 O ATOM 1173 CB VAL A 82 94.491 -6.654 6.859 1.00 0.00 C ATOM 1174 CG1 VAL A 82 95.568 -5.913 7.650 1.00 0.00 C ATOM 1175 CG2 VAL A 82 93.158 -5.923 7.031 1.00 0.00 C ATOM 0 H VAL A 82 94.517 -4.641 5.003 1.00 0.00 H new ATOM 0 HA VAL A 82 95.748 -7.376 5.260 1.00 0.00 H new ATOM 0 HB VAL A 82 94.391 -7.674 7.231 1.00 0.00 H new ATOM 0 HG11 VAL A 82 95.282 -5.869 8.701 1.00 0.00 H new ATOM 0 HG12 VAL A 82 96.517 -6.440 7.554 1.00 0.00 H new ATOM 0 HG13 VAL A 82 95.674 -4.900 7.260 1.00 0.00 H new ATOM 0 HG21 VAL A 82 92.897 -5.887 8.089 1.00 0.00 H new ATOM 0 HG22 VAL A 82 93.247 -4.908 6.645 1.00 0.00 H new ATOM 0 HG23 VAL A 82 92.379 -6.453 6.482 1.00 0.00 H new ATOM 1185 N GLY A 83 92.952 -6.466 3.910 1.00 0.00 N ATOM 1186 CA GLY A 83 91.827 -6.979 3.082 1.00 0.00 C ATOM 1187 C GLY A 83 90.618 -7.244 3.969 1.00 0.00 C ATOM 1188 O GLY A 83 90.714 -7.288 5.179 1.00 0.00 O ATOM 0 H GLY A 83 93.049 -5.451 3.926 1.00 0.00 H new ATOM 0 HA2 GLY A 83 91.571 -6.254 2.309 1.00 0.00 H new ATOM 0 HA3 GLY A 83 92.125 -7.896 2.573 1.00 0.00 H new ATOM 1192 N VAL A 84 89.480 -7.424 3.361 1.00 0.00 N ATOM 1193 CA VAL A 84 88.227 -7.696 4.132 1.00 0.00 C ATOM 1194 C VAL A 84 87.836 -9.164 3.922 1.00 0.00 C ATOM 1195 O VAL A 84 87.619 -9.605 2.811 1.00 0.00 O ATOM 1196 CB VAL A 84 87.105 -6.786 3.612 1.00 0.00 C ATOM 1197 CG1 VAL A 84 85.857 -6.936 4.492 1.00 0.00 C ATOM 1198 CG2 VAL A 84 87.582 -5.329 3.641 1.00 0.00 C ATOM 0 H VAL A 84 89.359 -7.395 2.349 1.00 0.00 H new ATOM 0 HA VAL A 84 88.386 -7.500 5.193 1.00 0.00 H new ATOM 0 HB VAL A 84 86.854 -7.071 2.590 1.00 0.00 H new ATOM 0 HG11 VAL A 84 85.066 -6.287 4.116 1.00 0.00 H new ATOM 0 HG12 VAL A 84 85.518 -7.972 4.469 1.00 0.00 H new ATOM 0 HG13 VAL A 84 86.099 -6.656 5.517 1.00 0.00 H new ATOM 0 HG21 VAL A 84 86.788 -4.679 3.273 1.00 0.00 H new ATOM 0 HG22 VAL A 84 87.835 -5.049 4.664 1.00 0.00 H new ATOM 0 HG23 VAL A 84 88.462 -5.222 3.007 1.00 0.00 H new ATOM 1208 N GLN A 85 87.758 -9.928 4.974 1.00 0.00 N ATOM 1209 CA GLN A 85 87.396 -11.363 4.818 1.00 0.00 C ATOM 1210 C GLN A 85 85.927 -11.492 4.403 1.00 0.00 C ATOM 1211 O GLN A 85 85.610 -12.118 3.408 1.00 0.00 O ATOM 1212 CB GLN A 85 87.608 -12.079 6.153 1.00 0.00 C ATOM 1213 CG GLN A 85 89.106 -12.175 6.447 1.00 0.00 C ATOM 1214 CD GLN A 85 89.316 -12.881 7.787 1.00 0.00 C ATOM 1215 OE1 GLN A 85 88.510 -12.755 8.687 1.00 0.00 O ATOM 1216 NE2 GLN A 85 90.375 -13.623 7.961 1.00 0.00 N ATOM 0 H GLN A 85 87.929 -9.622 5.932 1.00 0.00 H new ATOM 0 HA GLN A 85 88.024 -11.812 4.049 1.00 0.00 H new ATOM 0 HB2 GLN A 85 87.103 -11.537 6.953 1.00 0.00 H new ATOM 0 HB3 GLN A 85 87.169 -13.076 6.117 1.00 0.00 H new ATOM 0 HG2 GLN A 85 89.610 -12.724 5.651 1.00 0.00 H new ATOM 0 HG3 GLN A 85 89.547 -11.179 6.475 1.00 0.00 H new ATOM 0 HE21 GLN A 85 91.053 -13.730 7.206 1.00 0.00 H new ATOM 0 HE22 GLN A 85 90.525 -14.096 8.852 1.00 0.00 H new ATOM 1225 N LYS A 86 85.025 -10.913 5.168 1.00 0.00 N ATOM 1226 CA LYS A 86 83.561 -11.004 4.845 1.00 0.00 C ATOM 1227 C LYS A 86 82.959 -9.627 4.545 1.00 0.00 C ATOM 1228 O LYS A 86 83.358 -8.620 5.093 1.00 0.00 O ATOM 1229 CB LYS A 86 82.812 -11.618 6.028 1.00 0.00 C ATOM 1230 CG LYS A 86 83.181 -13.095 6.143 1.00 0.00 C ATOM 1231 CD LYS A 86 82.439 -13.718 7.327 1.00 0.00 C ATOM 1232 CE LYS A 86 82.800 -15.200 7.437 1.00 0.00 C ATOM 1233 NZ LYS A 86 84.275 -15.365 7.315 1.00 0.00 N ATOM 0 H LYS A 86 85.243 -10.378 6.008 1.00 0.00 H new ATOM 0 HA LYS A 86 83.458 -11.628 3.957 1.00 0.00 H new ATOM 0 HB2 LYS A 86 83.069 -11.094 6.948 1.00 0.00 H new ATOM 0 HB3 LYS A 86 81.736 -11.509 5.889 1.00 0.00 H new ATOM 0 HG2 LYS A 86 82.922 -13.618 5.222 1.00 0.00 H new ATOM 0 HG3 LYS A 86 84.257 -13.202 6.278 1.00 0.00 H new ATOM 0 HD2 LYS A 86 82.704 -13.200 8.249 1.00 0.00 H new ATOM 0 HD3 LYS A 86 81.363 -13.604 7.195 1.00 0.00 H new ATOM 0 HE2 LYS A 86 82.457 -15.598 8.392 1.00 0.00 H new ATOM 0 HE3 LYS A 86 82.295 -15.767 6.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 84.556 -16.282 7.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 84.547 -15.328 6.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 84.754 -14.600 7.832 1.00 0.00 H new ATOM 1247 N TYR A 87 81.969 -9.607 3.687 1.00 0.00 N ATOM 1248 CA TYR A 87 81.265 -8.337 3.328 1.00 0.00 C ATOM 1249 C TYR A 87 79.794 -8.502 3.715 1.00 0.00 C ATOM 1250 O TYR A 87 79.197 -9.526 3.446 1.00 0.00 O ATOM 1251 CB TYR A 87 81.390 -8.116 1.817 1.00 0.00 C ATOM 1252 CG TYR A 87 80.752 -6.804 1.428 1.00 0.00 C ATOM 1253 CD1 TYR A 87 81.510 -5.628 1.445 1.00 0.00 C ATOM 1254 CD2 TYR A 87 79.407 -6.764 1.040 1.00 0.00 C ATOM 1255 CE1 TYR A 87 80.925 -4.411 1.077 1.00 0.00 C ATOM 1256 CE2 TYR A 87 78.821 -5.548 0.670 1.00 0.00 C ATOM 1257 CZ TYR A 87 79.580 -4.372 0.689 1.00 0.00 C ATOM 1258 OH TYR A 87 79.004 -3.172 0.321 1.00 0.00 O ATOM 0 H TYR A 87 81.612 -10.435 3.211 1.00 0.00 H new ATOM 0 HA TYR A 87 81.696 -7.481 3.847 1.00 0.00 H new ATOM 0 HB2 TYR A 87 82.441 -8.118 1.527 1.00 0.00 H new ATOM 0 HB3 TYR A 87 80.910 -8.935 1.281 1.00 0.00 H new ATOM 0 HD1 TYR A 87 82.548 -5.659 1.742 1.00 0.00 H new ATOM 0 HD2 TYR A 87 78.822 -7.672 1.026 1.00 0.00 H new ATOM 0 HE1 TYR A 87 81.510 -3.503 1.092 1.00 0.00 H new ATOM 0 HE2 TYR A 87 77.784 -5.517 0.370 1.00 0.00 H new ATOM 0 HH TYR A 87 79.018 -3.088 -0.655 1.00 0.00 H new ATOM 1268 N ARG A 88 79.201 -7.528 4.364 1.00 0.00 N ATOM 1269 CA ARG A 88 77.768 -7.672 4.780 1.00 0.00 C ATOM 1270 C ARG A 88 77.015 -6.363 4.573 1.00 0.00 C ATOM 1271 O ARG A 88 77.357 -5.333 5.119 1.00 0.00 O ATOM 1272 CB ARG A 88 77.725 -8.054 6.252 1.00 0.00 C ATOM 1273 CG ARG A 88 76.278 -8.205 6.717 1.00 0.00 C ATOM 1274 CD ARG A 88 76.262 -8.821 8.117 1.00 0.00 C ATOM 1275 NE ARG A 88 74.875 -8.800 8.661 1.00 0.00 N ATOM 1276 CZ ARG A 88 74.652 -9.188 9.887 1.00 0.00 C ATOM 1277 NH1 ARG A 88 75.647 -9.568 10.641 1.00 0.00 N ATOM 1278 NH2 ARG A 88 73.434 -9.196 10.360 1.00 0.00 N ATOM 0 H ARG A 88 79.643 -6.646 4.622 1.00 0.00 H new ATOM 0 HA ARG A 88 77.293 -8.443 4.173 1.00 0.00 H new ATOM 0 HB2 ARG A 88 78.264 -8.988 6.408 1.00 0.00 H new ATOM 0 HB3 ARG A 88 78.228 -7.292 6.848 1.00 0.00 H new ATOM 0 HG2 ARG A 88 75.784 -7.234 6.728 1.00 0.00 H new ATOM 0 HG3 ARG A 88 75.724 -8.836 6.022 1.00 0.00 H new ATOM 0 HD2 ARG A 88 76.632 -9.846 8.078 1.00 0.00 H new ATOM 0 HD3 ARG A 88 76.930 -8.266 8.776 1.00 0.00 H new ATOM 0 HE ARG A 88 74.101 -8.483 8.077 1.00 0.00 H new ATOM 0 HH11 ARG A 88 76.598 -9.562 10.272 1.00 0.00 H new ATOM 0 HH12 ARG A 88 75.474 -9.871 11.599 1.00 0.00 H new ATOM 0 HH21 ARG A 88 72.656 -8.899 9.771 1.00 0.00 H new ATOM 0 HH22 ARG A 88 73.261 -9.499 11.318 1.00 0.00 H new ATOM 1292 N ALA A 89 75.980 -6.419 3.783 1.00 0.00 N ATOM 1293 CA ALA A 89 75.145 -5.203 3.502 1.00 0.00 C ATOM 1294 C ALA A 89 73.670 -5.488 3.825 1.00 0.00 C ATOM 1295 O ALA A 89 73.147 -6.539 3.504 1.00 0.00 O ATOM 1296 CB ALA A 89 75.281 -4.824 2.022 1.00 0.00 C ATOM 0 H ALA A 89 75.667 -7.267 3.310 1.00 0.00 H new ATOM 0 HA ALA A 89 75.492 -4.380 4.127 1.00 0.00 H new ATOM 0 HB1 ALA A 89 74.676 -3.941 1.815 1.00 0.00 H new ATOM 0 HB2 ALA A 89 76.325 -4.609 1.796 1.00 0.00 H new ATOM 0 HB3 ALA A 89 74.939 -5.652 1.401 1.00 0.00 H new ATOM 1302 N LEU A 90 72.998 -4.547 4.447 1.00 0.00 N ATOM 1303 CA LEU A 90 71.547 -4.720 4.791 1.00 0.00 C ATOM 1304 C LEU A 90 70.744 -3.609 4.111 1.00 0.00 C ATOM 1305 O LEU A 90 71.094 -2.447 4.191 1.00 0.00 O ATOM 1306 CB LEU A 90 71.367 -4.605 6.303 1.00 0.00 C ATOM 1307 CG LEU A 90 69.907 -4.876 6.694 1.00 0.00 C ATOM 1308 CD1 LEU A 90 69.505 -6.316 6.315 1.00 0.00 C ATOM 1309 CD2 LEU A 90 69.761 -4.679 8.207 1.00 0.00 C ATOM 0 H LEU A 90 73.398 -3.654 4.735 1.00 0.00 H new ATOM 0 HA LEU A 90 71.202 -5.697 4.453 1.00 0.00 H new ATOM 0 HB2 LEU A 90 72.022 -5.315 6.808 1.00 0.00 H new ATOM 0 HB3 LEU A 90 71.660 -3.609 6.635 1.00 0.00 H new ATOM 0 HG LEU A 90 69.254 -4.186 6.160 1.00 0.00 H new ATOM 0 HD11 LEU A 90 68.467 -6.491 6.599 1.00 0.00 H new ATOM 0 HD12 LEU A 90 69.615 -6.453 5.239 1.00 0.00 H new ATOM 0 HD13 LEU A 90 70.149 -7.023 6.838 1.00 0.00 H new ATOM 0 HD21 LEU A 90 68.728 -4.868 8.501 1.00 0.00 H new ATOM 0 HD22 LEU A 90 70.420 -5.373 8.729 1.00 0.00 H new ATOM 0 HD23 LEU A 90 70.031 -3.656 8.468 1.00 0.00 H new ATOM 1321 N THR A 91 69.677 -3.958 3.435 1.00 0.00 N ATOM 1322 CA THR A 91 68.842 -2.919 2.729 1.00 0.00 C ATOM 1323 C THR A 91 67.355 -3.063 3.090 1.00 0.00 C ATOM 1324 O THR A 91 66.730 -4.074 2.839 1.00 0.00 O ATOM 1325 CB THR A 91 69.002 -3.075 1.212 1.00 0.00 C ATOM 1326 OG1 THR A 91 68.807 -4.434 0.839 1.00 0.00 O ATOM 1327 CG2 THR A 91 70.398 -2.619 0.791 1.00 0.00 C ATOM 0 H THR A 91 69.343 -4.917 3.338 1.00 0.00 H new ATOM 0 HA THR A 91 69.186 -1.935 3.048 1.00 0.00 H new ATOM 0 HB THR A 91 68.256 -2.459 0.711 1.00 0.00 H new ATOM 0 HG1 THR A 91 68.909 -4.525 -0.131 1.00 0.00 H new ATOM 0 HG21 THR A 91 70.508 -2.731 -0.288 1.00 0.00 H new ATOM 0 HG22 THR A 91 70.536 -1.572 1.063 1.00 0.00 H new ATOM 0 HG23 THR A 91 71.148 -3.227 1.297 1.00 0.00 H new ATOM 1335 N GLU A 92 66.789 -2.028 3.667 1.00 0.00 N ATOM 1336 CA GLU A 92 65.334 -2.042 4.049 1.00 0.00 C ATOM 1337 C GLU A 92 64.652 -0.747 3.587 1.00 0.00 C ATOM 1338 O GLU A 92 65.296 0.249 3.326 1.00 0.00 O ATOM 1339 CB GLU A 92 65.186 -2.176 5.567 1.00 0.00 C ATOM 1340 CG GLU A 92 65.594 -3.583 6.005 1.00 0.00 C ATOM 1341 CD GLU A 92 65.375 -3.729 7.512 1.00 0.00 C ATOM 1342 OE1 GLU A 92 64.242 -3.953 7.906 1.00 0.00 O ATOM 1343 OE2 GLU A 92 66.342 -3.609 8.247 1.00 0.00 O ATOM 0 H GLU A 92 67.278 -1.162 3.893 1.00 0.00 H new ATOM 0 HA GLU A 92 64.859 -2.894 3.563 1.00 0.00 H new ATOM 0 HB2 GLU A 92 65.807 -1.434 6.069 1.00 0.00 H new ATOM 0 HB3 GLU A 92 64.155 -1.979 5.860 1.00 0.00 H new ATOM 0 HG2 GLU A 92 65.007 -4.328 5.467 1.00 0.00 H new ATOM 0 HG3 GLU A 92 66.640 -3.763 5.759 1.00 0.00 H new ATOM 1350 N TRP A 93 63.347 -0.762 3.486 1.00 0.00 N ATOM 1351 CA TRP A 93 62.596 0.453 3.042 1.00 0.00 C ATOM 1352 C TRP A 93 62.659 1.546 4.120 1.00 0.00 C ATOM 1353 O TRP A 93 62.598 1.269 5.302 1.00 0.00 O ATOM 1354 CB TRP A 93 61.127 0.075 2.815 1.00 0.00 C ATOM 1355 CG TRP A 93 60.985 -0.703 1.547 1.00 0.00 C ATOM 1356 CD1 TRP A 93 60.908 -2.051 1.457 1.00 0.00 C ATOM 1357 CD2 TRP A 93 60.887 -0.197 0.189 1.00 0.00 C ATOM 1358 NE1 TRP A 93 60.774 -2.402 0.126 1.00 0.00 N ATOM 1359 CE2 TRP A 93 60.756 -1.290 -0.696 1.00 0.00 C ATOM 1360 CE3 TRP A 93 60.902 1.097 -0.351 1.00 0.00 C ATOM 1361 CZ2 TRP A 93 60.642 -1.103 -2.074 1.00 0.00 C ATOM 1362 CZ3 TRP A 93 60.788 1.292 -1.736 1.00 0.00 C ATOM 1363 CH2 TRP A 93 60.658 0.194 -2.597 1.00 0.00 C ATOM 0 H TRP A 93 62.763 -1.572 3.694 1.00 0.00 H new ATOM 0 HA TRP A 93 63.044 0.829 2.122 1.00 0.00 H new ATOM 0 HB2 TRP A 93 60.762 -0.515 3.655 1.00 0.00 H new ATOM 0 HB3 TRP A 93 60.515 0.976 2.768 1.00 0.00 H new ATOM 0 HD1 TRP A 93 60.945 -2.740 2.288 1.00 0.00 H new ATOM 0 HE1 TRP A 93 60.698 -3.363 -0.208 1.00 0.00 H new ATOM 0 HE3 TRP A 93 61.002 1.950 0.304 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 60.542 -1.954 -2.732 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 60.801 2.293 -2.140 1.00 0.00 H new ATOM 0 HH2 TRP A 93 60.570 0.349 -3.662 1.00 0.00 H new ATOM 1374 N VAL A 94 62.756 2.791 3.710 1.00 0.00 N ATOM 1375 CA VAL A 94 62.801 3.931 4.685 1.00 0.00 C ATOM 1376 C VAL A 94 61.557 4.802 4.479 1.00 0.00 C ATOM 1377 O VAL A 94 61.309 5.295 3.394 1.00 0.00 O ATOM 1378 CB VAL A 94 64.054 4.775 4.425 1.00 0.00 C ATOM 1379 CG1 VAL A 94 64.178 5.879 5.487 1.00 0.00 C ATOM 1380 CG2 VAL A 94 65.288 3.876 4.479 1.00 0.00 C ATOM 0 H VAL A 94 62.806 3.069 2.730 1.00 0.00 H new ATOM 0 HA VAL A 94 62.827 3.547 5.705 1.00 0.00 H new ATOM 0 HB VAL A 94 63.976 5.237 3.441 1.00 0.00 H new ATOM 0 HG11 VAL A 94 65.071 6.472 5.293 1.00 0.00 H new ATOM 0 HG12 VAL A 94 63.299 6.523 5.447 1.00 0.00 H new ATOM 0 HG13 VAL A 94 64.251 5.426 6.476 1.00 0.00 H new ATOM 0 HG21 VAL A 94 66.181 4.473 4.295 1.00 0.00 H new ATOM 0 HG22 VAL A 94 65.358 3.413 5.463 1.00 0.00 H new ATOM 0 HG23 VAL A 94 65.206 3.100 3.718 1.00 0.00 H new ATOM 1390 N GLY A 95 60.780 4.999 5.517 1.00 0.00 N ATOM 1391 CA GLY A 95 59.542 5.838 5.412 1.00 0.00 C ATOM 1392 C GLY A 95 58.340 5.011 5.865 1.00 0.00 C ATOM 1393 O GLY A 95 57.210 5.453 5.816 1.00 0.00 O ATOM 0 H GLY A 95 60.952 4.610 6.444 1.00 0.00 H new ATOM 0 HA2 GLY A 95 59.639 6.731 6.030 1.00 0.00 H new ATOM 0 HA3 GLY A 95 59.402 6.175 4.385 1.00 0.00 H new