USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 655 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 70 SER OG : rot -169:sc= -0.691 USER MOD Set 1.2: A 73 ASN : amide:sc= -0.0448 X(o=-0.74,f=-1.2) USER MOD Set 2.1: A 32 LYS NZ :NH3+ -164:sc= 0.695 (180deg=0) USER MOD Set 2.2: A 82 SER OG : rot -115:sc= 1.08 USER MOD Single : A 3 GLN : amide:sc= -0.637 K(o=-0.64,f=-1.6!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=-0.0056) USER MOD Single : A 16 THR OG1 : rot 180:sc= -1.34 USER MOD Single : A 18 GLN : amide:sc= -1.01 K(o=-1,f=-0.18) USER MOD Single : A 22 THR OG1 : rot 170:sc=-0.00371 USER MOD Single : A 30 SER OG : rot -64:sc= 0.108 USER MOD Single : A 31 TYR OH : rot -130:sc= 0.00912 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 169:sc= -1.08 (180deg=-1.58!) USER MOD Single : A 48 GLN : amide:sc= -0.249 K(o=-0.25,f=-1.7) USER MOD Single : A 53 THR OG1 : rot 72:sc= 0.0816 USER MOD Single : A 58 GLN : amide:sc= -1.18! C(o=-1.2!,f=-0.97!) USER MOD Single : A 61 THR OG1 : rot 180:sc= -1.32 USER MOD Single : A 64 ASN : amide:sc= -0.578 X(o=-0.58,f=-0.45) USER MOD Single : A 69 TYR OH : rot 180:sc= -1.79! USER MOD Single : A 71 SER OG : rot 180:sc= 0.00468 USER MOD Single : A 75 TYR OH : rot -141:sc= 1.23 USER MOD Single : A 85 SER OG : rot 180:sc= 0.00348 USER MOD Single : A 87 THR OG1 : rot -26:sc= 0.675 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot -66:sc= 0.122 USER MOD Single : A 98 LYS NZ :NH3+ -157:sc= 1.33 (180deg=1.08) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 14.707 -0.953 3.449 1.00 0.15 N ATOM 21 CA VAL A 2 13.447 -0.398 2.986 1.00 0.10 C ATOM 22 C VAL A 2 12.425 -0.362 4.131 1.00 0.09 C ATOM 23 O VAL A 2 12.484 -1.170 5.056 1.00 0.12 O ATOM 24 CB VAL A 2 12.864 -1.195 1.787 1.00 0.08 C ATOM 25 CG1 VAL A 2 11.631 -0.513 1.261 1.00 0.08 C ATOM 26 CG2 VAL A 2 13.873 -1.345 0.663 1.00 0.09 C ATOM 0 HA VAL A 2 13.649 0.617 2.645 1.00 0.10 H new ATOM 0 HB VAL A 2 12.611 -2.190 2.152 1.00 0.08 H new ATOM 0 HG11 VAL A 2 11.231 -1.081 0.421 1.00 0.08 H new ATOM 0 HG12 VAL A 2 10.881 -0.457 2.050 1.00 0.08 H new ATOM 0 HG13 VAL A 2 11.885 0.494 0.930 1.00 0.08 H new ATOM 0 HG21 VAL A 2 13.425 -1.908 -0.155 1.00 0.09 H new ATOM 0 HG22 VAL A 2 14.169 -0.359 0.305 1.00 0.09 H new ATOM 0 HG23 VAL A 2 14.751 -1.876 1.031 1.00 0.09 H new ATOM 36 N GLN A 3 11.511 0.593 4.056 1.00 0.09 N ATOM 37 CA GLN A 3 10.455 0.786 5.032 1.00 0.10 C ATOM 38 C GLN A 3 9.120 0.646 4.329 1.00 0.11 C ATOM 39 O GLN A 3 9.077 0.649 3.101 1.00 0.17 O ATOM 40 CB GLN A 3 10.553 2.174 5.648 1.00 0.16 C ATOM 41 CG GLN A 3 11.736 2.366 6.552 1.00 0.79 C ATOM 42 CD GLN A 3 11.897 1.248 7.571 1.00 1.14 C ATOM 43 OE1 GLN A 3 10.918 0.638 8.008 1.00 1.37 O ATOM 44 NE2 GLN A 3 13.131 0.973 7.959 1.00 2.03 N ATOM 0 H GLN A 3 11.484 1.271 3.295 1.00 0.09 H new ATOM 0 HA GLN A 3 10.551 0.043 5.824 1.00 0.10 H new ATOM 0 HB2 GLN A 3 10.599 2.912 4.847 1.00 0.16 H new ATOM 0 HB3 GLN A 3 9.642 2.373 6.213 1.00 0.16 H new ATOM 0 HG2 GLN A 3 12.641 2.431 5.947 1.00 0.79 H new ATOM 0 HG3 GLN A 3 11.634 3.316 7.077 1.00 0.79 H new ATOM 0 HE21 GLN A 3 13.916 1.499 7.575 1.00 2.03 H new ATOM 0 HE22 GLN A 3 13.298 0.234 8.642 1.00 2.03 H new ATOM 53 N CYS A 4 8.033 0.529 5.069 1.00 0.12 N ATOM 54 CA CYS A 4 6.748 0.373 4.422 1.00 0.13 C ATOM 55 C CYS A 4 5.606 0.903 5.277 1.00 0.17 C ATOM 56 O CYS A 4 5.621 0.812 6.505 1.00 0.29 O ATOM 57 CB CYS A 4 6.517 -1.093 4.057 1.00 0.17 C ATOM 58 SG CYS A 4 5.700 -2.077 5.348 1.00 0.30 S ATOM 0 H CYS A 4 8.013 0.539 6.089 1.00 0.12 H new ATOM 0 HA CYS A 4 6.764 0.969 3.510 1.00 0.13 H new ATOM 0 HB2 CYS A 4 5.914 -1.137 3.150 1.00 0.17 H new ATOM 0 HB3 CYS A 4 7.478 -1.551 3.824 1.00 0.17 H new ATOM 63 N GLU A 5 4.632 1.464 4.585 1.00 0.14 N ATOM 64 CA GLU A 5 3.411 1.999 5.151 1.00 0.16 C ATOM 65 C GLU A 5 2.275 1.645 4.207 1.00 0.15 C ATOM 66 O GLU A 5 2.509 1.071 3.144 1.00 0.17 O ATOM 67 CB GLU A 5 3.488 3.522 5.299 1.00 0.24 C ATOM 68 CG GLU A 5 4.545 4.010 6.273 1.00 0.33 C ATOM 69 CD GLU A 5 4.244 3.629 7.711 1.00 1.14 C ATOM 70 OE1 GLU A 5 3.221 4.103 8.253 1.00 1.39 O ATOM 71 OE2 GLU A 5 5.034 2.876 8.313 1.00 1.87 O ATOM 0 H GLU A 5 4.673 1.563 3.571 1.00 0.14 H new ATOM 0 HA GLU A 5 3.254 1.575 6.143 1.00 0.16 H new ATOM 0 HB2 GLU A 5 3.685 3.959 4.320 1.00 0.24 H new ATOM 0 HB3 GLU A 5 2.515 3.892 5.623 1.00 0.24 H new ATOM 0 HG2 GLU A 5 5.513 3.597 5.988 1.00 0.33 H new ATOM 0 HG3 GLU A 5 4.627 5.094 6.199 1.00 0.33 H new ATOM 78 N VAL A 6 1.057 1.979 4.579 1.00 0.17 N ATOM 79 CA VAL A 6 -0.101 1.645 3.778 1.00 0.18 C ATOM 80 C VAL A 6 -1.087 2.796 3.721 1.00 0.21 C ATOM 81 O VAL A 6 -1.549 3.292 4.749 1.00 0.33 O ATOM 82 CB VAL A 6 -0.797 0.401 4.329 1.00 0.19 C ATOM 83 CG1 VAL A 6 -0.161 -0.858 3.766 1.00 0.17 C ATOM 84 CG2 VAL A 6 -0.717 0.407 5.847 1.00 0.20 C ATOM 0 H VAL A 6 0.843 2.486 5.438 1.00 0.17 H new ATOM 0 HA VAL A 6 0.251 1.442 2.767 1.00 0.18 H new ATOM 0 HB VAL A 6 -1.844 0.413 4.027 1.00 0.19 H new ATOM 0 HG11 VAL A 6 -0.669 -1.734 4.169 1.00 0.17 H new ATOM 0 HG12 VAL A 6 -0.249 -0.855 2.680 1.00 0.17 H new ATOM 0 HG13 VAL A 6 0.892 -0.889 4.045 1.00 0.17 H new ATOM 0 HG21 VAL A 6 -1.213 -0.480 6.241 1.00 0.20 H new ATOM 0 HG22 VAL A 6 0.328 0.406 6.156 1.00 0.20 H new ATOM 0 HG23 VAL A 6 -1.209 1.300 6.234 1.00 0.20 H new ATOM 94 N GLU A 7 -1.405 3.218 2.512 1.00 0.16 N ATOM 95 CA GLU A 7 -2.259 4.374 2.317 1.00 0.16 C ATOM 96 C GLU A 7 -3.433 4.065 1.410 1.00 0.16 C ATOM 97 O GLU A 7 -3.409 3.122 0.622 1.00 0.28 O ATOM 98 CB GLU A 7 -1.466 5.530 1.711 1.00 0.26 C ATOM 99 CG GLU A 7 -0.047 5.625 2.218 1.00 0.24 C ATOM 100 CD GLU A 7 0.392 7.060 2.422 1.00 1.05 C ATOM 101 OE1 GLU A 7 0.535 7.789 1.418 1.00 2.01 O ATOM 102 OE2 GLU A 7 0.618 7.465 3.584 1.00 1.11 O ATOM 0 H GLU A 7 -1.085 2.777 1.650 1.00 0.16 H new ATOM 0 HA GLU A 7 -2.640 4.653 3.300 1.00 0.16 H new ATOM 0 HB2 GLU A 7 -1.448 5.418 0.627 1.00 0.26 H new ATOM 0 HB3 GLU A 7 -1.983 6.465 1.926 1.00 0.26 H new ATOM 0 HG2 GLU A 7 0.038 5.083 3.160 1.00 0.24 H new ATOM 0 HG3 GLU A 7 0.624 5.139 1.510 1.00 0.24 H new ATOM 109 N ALA A 8 -4.454 4.878 1.539 1.00 0.14 N ATOM 110 CA ALA A 8 -5.589 4.840 0.650 1.00 0.12 C ATOM 111 C ALA A 8 -5.838 6.252 0.133 1.00 0.15 C ATOM 112 O ALA A 8 -5.972 7.187 0.923 1.00 0.17 O ATOM 113 CB ALA A 8 -6.795 4.312 1.392 1.00 0.13 C ATOM 0 H ALA A 8 -4.521 5.588 2.268 1.00 0.14 H new ATOM 0 HA ALA A 8 -5.397 4.177 -0.194 1.00 0.12 H new ATOM 0 HB1 ALA A 8 -7.652 4.284 0.719 1.00 0.13 H new ATOM 0 HB2 ALA A 8 -6.586 3.306 1.757 1.00 0.13 H new ATOM 0 HB3 ALA A 8 -7.017 4.965 2.236 1.00 0.13 H new ATOM 119 N ALA A 9 -5.879 6.415 -1.174 1.00 0.16 N ATOM 120 CA ALA A 9 -6.025 7.731 -1.776 1.00 0.19 C ATOM 121 C ALA A 9 -7.388 7.872 -2.432 1.00 0.19 C ATOM 122 O ALA A 9 -7.633 7.331 -3.507 1.00 0.20 O ATOM 123 CB ALA A 9 -4.917 7.963 -2.791 1.00 0.22 C ATOM 0 H ALA A 9 -5.813 5.650 -1.845 1.00 0.16 H new ATOM 0 HA ALA A 9 -5.947 8.485 -0.992 1.00 0.19 H new ATOM 0 HB1 ALA A 9 -5.033 8.951 -3.237 1.00 0.22 H new ATOM 0 HB2 ALA A 9 -3.949 7.901 -2.294 1.00 0.22 H new ATOM 0 HB3 ALA A 9 -4.973 7.204 -3.571 1.00 0.22 H new ATOM 129 N VAL A 10 -8.269 8.612 -1.789 1.00 0.22 N ATOM 130 CA VAL A 10 -9.624 8.764 -2.281 1.00 0.23 C ATOM 131 C VAL A 10 -9.716 9.853 -3.338 1.00 0.27 C ATOM 132 O VAL A 10 -9.253 10.981 -3.139 1.00 0.33 O ATOM 133 CB VAL A 10 -10.617 9.076 -1.145 1.00 0.25 C ATOM 134 CG1 VAL A 10 -12.000 9.352 -1.713 1.00 0.29 C ATOM 135 CG2 VAL A 10 -10.662 7.927 -0.145 1.00 0.27 C ATOM 0 H VAL A 10 -8.071 9.117 -0.925 1.00 0.22 H new ATOM 0 HA VAL A 10 -9.894 7.808 -2.729 1.00 0.23 H new ATOM 0 HB VAL A 10 -10.277 9.969 -0.621 1.00 0.25 H new ATOM 0 HG11 VAL A 10 -12.691 9.571 -0.899 1.00 0.29 H new ATOM 0 HG12 VAL A 10 -11.952 10.207 -2.388 1.00 0.29 H new ATOM 0 HG13 VAL A 10 -12.350 8.477 -2.260 1.00 0.29 H new ATOM 0 HG21 VAL A 10 -11.368 8.164 0.650 1.00 0.27 H new ATOM 0 HG22 VAL A 10 -10.979 7.016 -0.652 1.00 0.27 H new ATOM 0 HG23 VAL A 10 -9.671 7.778 0.283 1.00 0.27 H new ATOM 145 N SER A 11 -10.298 9.493 -4.465 1.00 0.29 N ATOM 146 CA SER A 11 -10.618 10.437 -5.513 1.00 0.36 C ATOM 147 C SER A 11 -12.133 10.476 -5.699 1.00 0.45 C ATOM 148 O SER A 11 -12.855 9.718 -5.046 1.00 0.63 O ATOM 149 CB SER A 11 -9.925 10.030 -6.808 1.00 0.45 C ATOM 150 OG SER A 11 -8.554 9.737 -6.582 1.00 1.22 O ATOM 0 H SER A 11 -10.563 8.531 -4.679 1.00 0.29 H new ATOM 0 HA SER A 11 -10.266 11.431 -5.238 1.00 0.36 H new ATOM 0 HB2 SER A 11 -10.422 9.157 -7.232 1.00 0.45 H new ATOM 0 HB3 SER A 11 -10.013 10.833 -7.540 1.00 0.45 H new ATOM 0 HG SER A 11 -8.131 9.477 -7.427 1.00 1.22 H new ATOM 156 N GLY A 12 -12.610 11.346 -6.579 1.00 0.45 N ATOM 157 CA GLY A 12 -14.042 11.502 -6.773 1.00 0.54 C ATOM 158 C GLY A 12 -14.712 10.249 -7.311 1.00 0.49 C ATOM 159 O GLY A 12 -14.752 10.031 -8.523 1.00 0.61 O ATOM 0 H GLY A 12 -12.031 11.949 -7.164 1.00 0.45 H new ATOM 0 HA2 GLY A 12 -14.503 11.774 -5.824 1.00 0.54 H new ATOM 0 HA3 GLY A 12 -14.221 12.327 -7.463 1.00 0.54 H new ATOM 163 N GLY A 13 -15.215 9.416 -6.407 1.00 0.45 N ATOM 164 CA GLY A 13 -15.944 8.228 -6.805 1.00 0.48 C ATOM 165 C GLY A 13 -15.092 6.973 -6.794 1.00 0.41 C ATOM 166 O GLY A 13 -15.612 5.858 -6.822 1.00 0.45 O ATOM 0 H GLY A 13 -15.129 9.545 -5.399 1.00 0.45 H new ATOM 0 HA2 GLY A 13 -16.793 8.089 -6.136 1.00 0.48 H new ATOM 0 HA3 GLY A 13 -16.349 8.376 -7.806 1.00 0.48 H new ATOM 170 N HIS A 14 -13.781 7.143 -6.732 1.00 0.34 N ATOM 171 CA HIS A 14 -12.866 6.009 -6.780 1.00 0.31 C ATOM 172 C HIS A 14 -11.747 6.185 -5.773 1.00 0.30 C ATOM 173 O HIS A 14 -11.179 7.263 -5.650 1.00 0.43 O ATOM 174 CB HIS A 14 -12.271 5.843 -8.183 1.00 0.34 C ATOM 175 CG HIS A 14 -13.252 5.374 -9.211 1.00 0.79 C ATOM 176 ND1 HIS A 14 -13.725 6.180 -10.224 1.00 1.56 N ATOM 177 CD2 HIS A 14 -13.842 4.171 -9.384 1.00 1.57 C ATOM 178 CE1 HIS A 14 -14.565 5.491 -10.973 1.00 1.85 C ATOM 179 NE2 HIS A 14 -14.653 4.268 -10.486 1.00 1.82 N ATOM 0 H HIS A 14 -13.326 8.052 -6.649 1.00 0.34 H new ATOM 0 HA HIS A 14 -13.435 5.113 -6.532 1.00 0.31 H new ATOM 0 HB2 HIS A 14 -11.853 6.797 -8.504 1.00 0.34 H new ATOM 0 HB3 HIS A 14 -11.445 5.133 -8.134 1.00 0.34 H new ATOM 0 HD2 HIS A 14 -13.701 3.295 -8.768 1.00 1.57 H new ATOM 0 HE1 HIS A 14 -15.092 5.865 -11.839 1.00 1.85 H new ATOM 0 HE2 HIS A 14 -15.230 3.518 -10.867 1.00 1.82 H new ATOM 188 N VAL A 15 -11.434 5.126 -5.055 1.00 0.23 N ATOM 189 CA VAL A 15 -10.371 5.168 -4.074 1.00 0.20 C ATOM 190 C VAL A 15 -9.166 4.370 -4.571 1.00 0.18 C ATOM 191 O VAL A 15 -9.265 3.182 -4.847 1.00 0.17 O ATOM 192 CB VAL A 15 -10.858 4.667 -2.682 1.00 0.18 C ATOM 193 CG1 VAL A 15 -11.548 3.309 -2.769 1.00 0.18 C ATOM 194 CG2 VAL A 15 -9.705 4.618 -1.691 1.00 0.17 C ATOM 0 H VAL A 15 -11.903 4.223 -5.133 1.00 0.23 H new ATOM 0 HA VAL A 15 -10.063 6.206 -3.944 1.00 0.20 H new ATOM 0 HB VAL A 15 -11.597 5.384 -2.325 1.00 0.18 H new ATOM 0 HG11 VAL A 15 -11.870 3.000 -1.775 1.00 0.18 H new ATOM 0 HG12 VAL A 15 -12.415 3.383 -3.425 1.00 0.18 H new ATOM 0 HG13 VAL A 15 -10.852 2.572 -3.170 1.00 0.18 H new ATOM 0 HG21 VAL A 15 -10.069 4.265 -0.726 1.00 0.17 H new ATOM 0 HG22 VAL A 15 -8.937 3.938 -2.060 1.00 0.17 H new ATOM 0 HG23 VAL A 15 -9.281 5.616 -1.576 1.00 0.17 H new ATOM 204 N THR A 16 -8.042 5.049 -4.727 1.00 0.17 N ATOM 205 CA THR A 16 -6.816 4.422 -5.193 1.00 0.16 C ATOM 206 C THR A 16 -5.949 4.055 -4.002 1.00 0.14 C ATOM 207 O THR A 16 -5.532 4.918 -3.246 1.00 0.15 O ATOM 208 CB THR A 16 -6.034 5.365 -6.124 1.00 0.20 C ATOM 209 OG1 THR A 16 -6.802 5.628 -7.303 1.00 0.24 O ATOM 210 CG2 THR A 16 -4.680 4.773 -6.496 1.00 0.19 C ATOM 0 H THR A 16 -7.953 6.047 -4.535 1.00 0.17 H new ATOM 0 HA THR A 16 -7.080 3.524 -5.752 1.00 0.16 H new ATOM 0 HB THR A 16 -5.855 6.301 -5.594 1.00 0.20 H new ATOM 0 HG1 THR A 16 -6.301 6.230 -7.892 1.00 0.24 H new ATOM 0 HG21 THR A 16 -4.150 5.462 -7.154 1.00 0.19 H new ATOM 0 HG22 THR A 16 -4.093 4.611 -5.592 1.00 0.19 H new ATOM 0 HG23 THR A 16 -4.827 3.822 -7.008 1.00 0.19 H new ATOM 218 N LEU A 17 -5.676 2.785 -3.834 1.00 0.12 N ATOM 219 CA LEU A 17 -5.022 2.323 -2.632 1.00 0.10 C ATOM 220 C LEU A 17 -3.637 1.772 -2.938 1.00 0.13 C ATOM 221 O LEU A 17 -3.488 0.938 -3.828 1.00 0.17 O ATOM 222 CB LEU A 17 -5.882 1.265 -1.986 1.00 0.11 C ATOM 223 CG LEU A 17 -5.818 1.239 -0.469 1.00 0.10 C ATOM 224 CD1 LEU A 17 -7.196 0.981 0.093 1.00 0.10 C ATOM 225 CD2 LEU A 17 -4.818 0.204 0.008 1.00 0.11 C ATOM 0 H LEU A 17 -5.895 2.054 -4.511 1.00 0.12 H new ATOM 0 HA LEU A 17 -4.895 3.163 -1.949 1.00 0.10 H new ATOM 0 HB2 LEU A 17 -6.917 1.421 -2.290 1.00 0.11 H new ATOM 0 HB3 LEU A 17 -5.581 0.289 -2.366 1.00 0.11 H new ATOM 0 HG LEU A 17 -5.476 2.209 -0.107 1.00 0.10 H new ATOM 0 HD11 LEU A 17 -7.147 0.963 1.182 1.00 0.10 H new ATOM 0 HD12 LEU A 17 -7.873 1.773 -0.227 1.00 0.10 H new ATOM 0 HD13 LEU A 17 -7.563 0.021 -0.270 1.00 0.10 H new ATOM 0 HD21 LEU A 17 -4.788 0.202 1.098 1.00 0.11 H new ATOM 0 HD22 LEU A 17 -5.117 -0.782 -0.349 1.00 0.11 H new ATOM 0 HD23 LEU A 17 -3.829 0.447 -0.382 1.00 0.11 H new ATOM 237 N GLN A 18 -2.631 2.255 -2.210 1.00 0.15 N ATOM 238 CA GLN A 18 -1.253 1.831 -2.412 1.00 0.19 C ATOM 239 C GLN A 18 -0.484 1.866 -1.090 1.00 0.24 C ATOM 240 O GLN A 18 -0.834 2.618 -0.183 1.00 0.51 O ATOM 241 CB GLN A 18 -0.553 2.745 -3.414 1.00 0.32 C ATOM 242 CG GLN A 18 -1.234 2.835 -4.761 1.00 0.78 C ATOM 243 CD GLN A 18 -0.504 3.733 -5.741 1.00 1.03 C ATOM 244 OE1 GLN A 18 -1.121 4.379 -6.587 1.00 1.58 O ATOM 245 NE2 GLN A 18 0.816 3.764 -5.654 1.00 1.77 N ATOM 0 H GLN A 18 -2.750 2.946 -1.469 1.00 0.15 H new ATOM 0 HA GLN A 18 -1.270 0.812 -2.799 1.00 0.19 H new ATOM 0 HB2 GLN A 18 -0.485 3.746 -2.988 1.00 0.32 H new ATOM 0 HB3 GLN A 18 0.467 2.390 -3.560 1.00 0.32 H new ATOM 0 HG2 GLN A 18 -1.316 1.835 -5.187 1.00 0.78 H new ATOM 0 HG3 GLN A 18 -2.249 3.208 -4.623 1.00 0.78 H new ATOM 0 HE21 GLN A 18 1.293 3.215 -4.939 1.00 1.77 H new ATOM 0 HE22 GLN A 18 1.356 4.337 -6.302 1.00 1.77 H new ATOM 254 N GLY A 19 0.572 1.073 -0.990 1.00 0.17 N ATOM 255 CA GLY A 19 1.384 1.071 0.213 1.00 0.18 C ATOM 256 C GLY A 19 2.656 1.882 0.040 1.00 0.18 C ATOM 257 O GLY A 19 3.397 1.673 -0.913 1.00 0.19 O ATOM 0 H GLY A 19 0.883 0.431 -1.719 1.00 0.17 H new ATOM 0 HA2 GLY A 19 0.805 1.477 1.042 1.00 0.18 H new ATOM 0 HA3 GLY A 19 1.641 0.045 0.476 1.00 0.18 H new ATOM 261 N VAL A 20 2.913 2.808 0.957 1.00 0.17 N ATOM 262 CA VAL A 20 4.072 3.688 0.846 1.00 0.18 C ATOM 263 C VAL A 20 5.317 3.069 1.444 1.00 0.21 C ATOM 264 O VAL A 20 5.420 2.852 2.639 1.00 0.45 O ATOM 265 CB VAL A 20 3.821 5.064 1.491 1.00 0.19 C ATOM 266 CG1 VAL A 20 5.128 5.748 1.884 1.00 0.24 C ATOM 267 CG2 VAL A 20 3.034 5.951 0.545 1.00 0.20 C ATOM 0 H VAL A 20 2.337 2.969 1.783 1.00 0.17 H new ATOM 0 HA VAL A 20 4.234 3.830 -0.223 1.00 0.18 H new ATOM 0 HB VAL A 20 3.242 4.903 2.400 1.00 0.19 H new ATOM 0 HG11 VAL A 20 4.911 6.716 2.336 1.00 0.24 H new ATOM 0 HG12 VAL A 20 5.663 5.125 2.601 1.00 0.24 H new ATOM 0 HG13 VAL A 20 5.744 5.892 0.997 1.00 0.24 H new ATOM 0 HG21 VAL A 20 2.863 6.921 1.013 1.00 0.20 H new ATOM 0 HG22 VAL A 20 3.597 6.088 -0.378 1.00 0.20 H new ATOM 0 HG23 VAL A 20 2.076 5.483 0.320 1.00 0.20 H new ATOM 277 N ILE A 21 6.258 2.813 0.586 1.00 0.13 N ATOM 278 CA ILE A 21 7.548 2.305 0.966 1.00 0.11 C ATOM 279 C ILE A 21 8.550 3.437 1.060 1.00 0.13 C ATOM 280 O ILE A 21 8.974 3.987 0.053 1.00 0.14 O ATOM 281 CB ILE A 21 8.014 1.268 -0.066 1.00 0.10 C ATOM 282 CG1 ILE A 21 7.462 -0.089 0.297 1.00 0.10 C ATOM 283 CG2 ILE A 21 9.528 1.206 -0.193 1.00 0.10 C ATOM 284 CD1 ILE A 21 7.567 -1.051 -0.837 1.00 0.10 C ATOM 0 H ILE A 21 6.152 2.953 -0.419 1.00 0.13 H new ATOM 0 HA ILE A 21 7.472 1.829 1.944 1.00 0.11 H new ATOM 0 HB ILE A 21 7.631 1.578 -1.038 1.00 0.10 H new ATOM 0 HG12 ILE A 21 8.002 -0.482 1.158 1.00 0.10 H new ATOM 0 HG13 ILE A 21 6.418 0.011 0.593 1.00 0.10 H new ATOM 0 HG21 ILE A 21 9.800 0.456 -0.936 1.00 0.10 H new ATOM 0 HG22 ILE A 21 9.907 2.180 -0.504 1.00 0.10 H new ATOM 0 HG23 ILE A 21 9.963 0.937 0.770 1.00 0.10 H new ATOM 0 HD11 ILE A 21 7.159 -2.016 -0.535 1.00 0.10 H new ATOM 0 HD12 ILE A 21 7.005 -0.671 -1.690 1.00 0.10 H new ATOM 0 HD13 ILE A 21 8.614 -1.171 -1.116 1.00 0.10 H new ATOM 296 N THR A 22 8.906 3.822 2.256 1.00 0.13 N ATOM 297 CA THR A 22 10.025 4.713 2.400 1.00 0.14 C ATOM 298 C THR A 22 11.270 3.885 2.296 1.00 0.14 C ATOM 299 O THR A 22 11.376 2.854 2.926 1.00 0.18 O ATOM 300 CB THR A 22 10.031 5.453 3.735 1.00 0.16 C ATOM 301 OG1 THR A 22 8.700 5.866 4.071 1.00 0.20 O ATOM 302 CG2 THR A 22 10.944 6.663 3.649 1.00 0.17 C ATOM 0 H THR A 22 8.451 3.541 3.125 1.00 0.13 H new ATOM 0 HA THR A 22 9.963 5.473 1.621 1.00 0.14 H new ATOM 0 HB THR A 22 10.400 4.784 4.512 1.00 0.16 H new ATOM 0 HG1 THR A 22 8.683 6.194 4.994 1.00 0.20 H new ATOM 0 HG21 THR A 22 10.944 7.187 4.605 1.00 0.17 H new ATOM 0 HG22 THR A 22 11.957 6.338 3.413 1.00 0.17 H new ATOM 0 HG23 THR A 22 10.587 7.334 2.867 1.00 0.17 H new ATOM 310 N ALA A 23 12.203 4.294 1.501 1.00 0.12 N ATOM 311 CA ALA A 23 13.387 3.504 1.352 1.00 0.12 C ATOM 312 C ALA A 23 14.578 4.329 1.724 1.00 0.14 C ATOM 313 O ALA A 23 14.811 5.360 1.138 1.00 0.16 O ATOM 314 CB ALA A 23 13.483 3.009 -0.066 1.00 0.11 C ATOM 0 H ALA A 23 12.174 5.154 0.953 1.00 0.12 H new ATOM 0 HA ALA A 23 13.350 2.637 2.012 1.00 0.12 H new ATOM 0 HB1 ALA A 23 14.384 2.407 -0.181 1.00 0.11 H new ATOM 0 HB2 ALA A 23 12.609 2.401 -0.299 1.00 0.11 H new ATOM 0 HB3 ALA A 23 13.526 3.860 -0.746 1.00 0.11 H new ATOM 320 N VAL A 24 15.325 3.884 2.708 1.00 0.16 N ATOM 321 CA VAL A 24 16.430 4.677 3.219 1.00 0.18 C ATOM 322 C VAL A 24 17.612 4.706 2.245 1.00 0.20 C ATOM 323 O VAL A 24 18.584 5.433 2.448 1.00 0.25 O ATOM 324 CB VAL A 24 16.889 4.169 4.597 1.00 0.22 C ATOM 325 CG1 VAL A 24 18.025 5.021 5.139 1.00 0.25 C ATOM 326 CG2 VAL A 24 15.713 4.165 5.554 1.00 0.23 C ATOM 0 H VAL A 24 15.193 2.985 3.171 1.00 0.16 H new ATOM 0 HA VAL A 24 16.062 5.697 3.328 1.00 0.18 H new ATOM 0 HB VAL A 24 17.263 3.151 4.491 1.00 0.22 H new ATOM 0 HG11 VAL A 24 18.331 4.641 6.114 1.00 0.25 H new ATOM 0 HG12 VAL A 24 18.870 4.980 4.452 1.00 0.25 H new ATOM 0 HG13 VAL A 24 17.689 6.053 5.241 1.00 0.25 H new ATOM 0 HG21 VAL A 24 16.039 3.805 6.530 1.00 0.23 H new ATOM 0 HG22 VAL A 24 15.321 5.177 5.653 1.00 0.23 H new ATOM 0 HG23 VAL A 24 14.932 3.510 5.168 1.00 0.23 H new ATOM 336 N ARG A 25 17.528 3.947 1.167 1.00 0.21 N ATOM 337 CA ARG A 25 18.602 3.944 0.195 1.00 0.24 C ATOM 338 C ARG A 25 18.069 4.094 -1.224 1.00 0.23 C ATOM 339 O ARG A 25 17.066 3.483 -1.589 1.00 0.26 O ATOM 340 CB ARG A 25 19.428 2.681 0.336 1.00 0.33 C ATOM 341 CG ARG A 25 20.192 2.628 1.639 1.00 0.40 C ATOM 342 CD ARG A 25 21.410 3.520 1.588 1.00 0.73 C ATOM 343 NE ARG A 25 22.212 3.438 2.807 1.00 0.80 N ATOM 344 CZ ARG A 25 23.231 4.253 3.082 1.00 1.41 C ATOM 345 NH1 ARG A 25 23.566 5.217 2.233 1.00 2.18 N ATOM 346 NH2 ARG A 25 23.907 4.110 4.215 1.00 1.42 N ATOM 0 H ARG A 25 16.742 3.336 0.946 1.00 0.21 H new ATOM 0 HA ARG A 25 19.243 4.803 0.392 1.00 0.24 H new ATOM 0 HB2 ARG A 25 18.772 1.813 0.268 1.00 0.33 H new ATOM 0 HB3 ARG A 25 20.130 2.616 -0.495 1.00 0.33 H new ATOM 0 HG2 ARG A 25 19.543 2.938 2.458 1.00 0.40 H new ATOM 0 HG3 ARG A 25 20.496 1.602 1.845 1.00 0.40 H new ATOM 0 HD2 ARG A 25 22.025 3.242 0.732 1.00 0.73 H new ATOM 0 HD3 ARG A 25 21.095 4.552 1.432 1.00 0.73 H new ATOM 0 HE ARG A 25 21.979 2.715 3.487 1.00 0.80 H new ATOM 0 HH11 ARG A 25 23.043 5.337 1.366 1.00 2.18 H new ATOM 0 HH12 ARG A 25 24.346 5.838 2.448 1.00 2.18 H new ATOM 0 HH21 ARG A 25 23.647 3.377 4.875 1.00 1.42 H new ATOM 0 HH22 ARG A 25 24.687 4.733 4.426 1.00 1.42 H new ATOM 360 N ASP A 26 18.732 4.940 -2.004 1.00 0.23 N ATOM 361 CA ASP A 26 18.340 5.194 -3.381 1.00 0.25 C ATOM 362 C ASP A 26 18.795 4.054 -4.281 1.00 0.24 C ATOM 363 O ASP A 26 19.879 3.498 -4.102 1.00 0.32 O ATOM 364 CB ASP A 26 18.921 6.523 -3.879 1.00 0.31 C ATOM 365 CG ASP A 26 20.435 6.513 -3.969 1.00 0.78 C ATOM 366 OD1 ASP A 26 21.099 6.634 -2.917 1.00 0.73 O ATOM 367 OD2 ASP A 26 20.970 6.391 -5.090 1.00 1.54 O ATOM 0 H ASP A 26 19.552 5.465 -1.700 1.00 0.23 H new ATOM 0 HA ASP A 26 17.253 5.259 -3.417 1.00 0.25 H new ATOM 0 HB2 ASP A 26 18.506 6.749 -4.861 1.00 0.31 H new ATOM 0 HB3 ASP A 26 18.608 7.324 -3.209 1.00 0.31 H new ATOM 372 N GLY A 27 17.951 3.705 -5.231 1.00 0.24 N ATOM 373 CA GLY A 27 18.249 2.631 -6.142 1.00 0.26 C ATOM 374 C GLY A 27 16.988 1.907 -6.542 1.00 0.21 C ATOM 375 O GLY A 27 15.994 2.539 -6.890 1.00 0.23 O ATOM 0 H GLY A 27 17.050 4.156 -5.388 1.00 0.24 H new ATOM 0 HA2 GLY A 27 18.744 3.026 -7.029 1.00 0.26 H new ATOM 0 HA3 GLY A 27 18.943 1.932 -5.674 1.00 0.26 H new ATOM 379 N ALA A 28 17.008 0.593 -6.467 1.00 0.19 N ATOM 380 CA ALA A 28 15.842 -0.202 -6.804 1.00 0.18 C ATOM 381 C ALA A 28 15.764 -1.436 -5.921 1.00 0.24 C ATOM 382 O ALA A 28 16.774 -2.092 -5.669 1.00 0.45 O ATOM 383 CB ALA A 28 15.872 -0.598 -8.272 1.00 0.21 C ATOM 0 H ALA A 28 17.820 0.050 -6.175 1.00 0.19 H new ATOM 0 HA ALA A 28 14.952 0.403 -6.629 1.00 0.18 H new ATOM 0 HB1 ALA A 28 14.990 -1.194 -8.506 1.00 0.21 H new ATOM 0 HB2 ALA A 28 15.879 0.299 -8.891 1.00 0.21 H new ATOM 0 HB3 ALA A 28 16.769 -1.184 -8.473 1.00 0.21 H new ATOM 389 N GLY A 29 14.569 -1.746 -5.455 1.00 0.15 N ATOM 390 CA GLY A 29 14.377 -2.891 -4.606 1.00 0.19 C ATOM 391 C GLY A 29 13.142 -3.652 -5.007 1.00 0.17 C ATOM 392 O GLY A 29 12.498 -3.311 -5.999 1.00 0.21 O ATOM 0 H GLY A 29 13.720 -1.216 -5.654 1.00 0.15 H new ATOM 0 HA2 GLY A 29 15.248 -3.544 -4.666 1.00 0.19 H new ATOM 0 HA3 GLY A 29 14.291 -2.569 -3.568 1.00 0.19 H new ATOM 396 N SER A 30 12.788 -4.656 -4.238 1.00 0.15 N ATOM 397 CA SER A 30 11.635 -5.467 -4.566 1.00 0.15 C ATOM 398 C SER A 30 10.718 -5.592 -3.363 1.00 0.13 C ATOM 399 O SER A 30 11.171 -5.752 -2.227 1.00 0.14 O ATOM 400 CB SER A 30 12.066 -6.842 -5.073 1.00 0.20 C ATOM 401 OG SER A 30 12.919 -7.492 -4.145 1.00 0.23 O ATOM 0 H SER A 30 13.277 -4.931 -3.386 1.00 0.15 H new ATOM 0 HA SER A 30 11.082 -4.975 -5.366 1.00 0.15 H new ATOM 0 HB2 SER A 30 11.185 -7.458 -5.253 1.00 0.20 H new ATOM 0 HB3 SER A 30 12.580 -6.735 -6.028 1.00 0.20 H new ATOM 0 HG SER A 30 13.753 -6.985 -4.057 1.00 0.23 H new ATOM 407 N TYR A 31 9.430 -5.497 -3.625 1.00 0.13 N ATOM 408 CA TYR A 31 8.424 -5.497 -2.584 1.00 0.11 C ATOM 409 C TYR A 31 7.080 -5.966 -3.134 1.00 0.13 C ATOM 410 O TYR A 31 6.820 -5.890 -4.335 1.00 0.18 O ATOM 411 CB TYR A 31 8.315 -4.110 -1.955 1.00 0.10 C ATOM 412 CG TYR A 31 8.993 -3.000 -2.733 1.00 0.09 C ATOM 413 CD1 TYR A 31 8.416 -2.502 -3.888 1.00 0.11 C ATOM 414 CD2 TYR A 31 10.195 -2.427 -2.295 1.00 0.08 C ATOM 415 CE1 TYR A 31 9.002 -1.478 -4.594 1.00 0.12 C ATOM 416 CE2 TYR A 31 10.784 -1.391 -3.001 1.00 0.09 C ATOM 417 CZ TYR A 31 10.184 -0.923 -4.147 1.00 0.11 C ATOM 418 OH TYR A 31 10.763 0.109 -4.846 1.00 0.13 O ATOM 0 H TYR A 31 9.051 -5.417 -4.569 1.00 0.13 H new ATOM 0 HA TYR A 31 8.724 -6.198 -1.805 1.00 0.11 H new ATOM 0 HB2 TYR A 31 7.260 -3.861 -1.840 1.00 0.10 H new ATOM 0 HB3 TYR A 31 8.744 -4.147 -0.954 1.00 0.10 H new ATOM 0 HD1 TYR A 31 7.488 -2.926 -4.242 1.00 0.11 H new ATOM 0 HD2 TYR A 31 10.667 -2.797 -1.397 1.00 0.08 H new ATOM 0 HE1 TYR A 31 8.538 -1.109 -5.497 1.00 0.12 H new ATOM 0 HE2 TYR A 31 11.708 -0.953 -2.654 1.00 0.09 H new ATOM 0 HH TYR A 31 11.709 -0.092 -5.003 1.00 0.13 H new ATOM 428 N LYS A 32 6.240 -6.455 -2.240 1.00 0.13 N ATOM 429 CA LYS A 32 5.008 -7.140 -2.608 1.00 0.14 C ATOM 430 C LYS A 32 3.809 -6.552 -1.875 1.00 0.14 C ATOM 431 O LYS A 32 3.667 -6.718 -0.662 1.00 0.13 O ATOM 432 CB LYS A 32 5.140 -8.630 -2.271 1.00 0.16 C ATOM 433 CG LYS A 32 6.049 -8.896 -1.082 1.00 0.17 C ATOM 434 CD LYS A 32 7.507 -9.032 -1.507 1.00 0.25 C ATOM 435 CE LYS A 32 7.770 -10.338 -2.232 1.00 0.40 C ATOM 436 NZ LYS A 32 8.052 -11.449 -1.286 1.00 1.26 N ATOM 0 H LYS A 32 6.391 -6.389 -1.233 1.00 0.13 H new ATOM 0 HA LYS A 32 4.846 -7.010 -3.678 1.00 0.14 H new ATOM 0 HB2 LYS A 32 4.151 -9.038 -2.063 1.00 0.16 H new ATOM 0 HB3 LYS A 32 5.526 -9.160 -3.142 1.00 0.16 H new ATOM 0 HG2 LYS A 32 5.954 -8.083 -0.362 1.00 0.17 H new ATOM 0 HG3 LYS A 32 5.730 -9.808 -0.577 1.00 0.17 H new ATOM 0 HD2 LYS A 32 7.775 -8.198 -2.155 1.00 0.25 H new ATOM 0 HD3 LYS A 32 8.148 -8.971 -0.627 1.00 0.25 H new ATOM 0 HE2 LYS A 32 6.906 -10.594 -2.845 1.00 0.40 H new ATOM 0 HE3 LYS A 32 8.615 -10.214 -2.909 1.00 0.40 H new ATOM 0 HZ1 LYS A 32 8.486 -12.242 -1.801 1.00 1.26 H new ATOM 0 HZ2 LYS A 32 8.704 -11.118 -0.546 1.00 1.26 H new ATOM 0 HZ3 LYS A 32 7.164 -11.766 -0.848 1.00 1.26 H new ATOM 450 N LEU A 33 2.937 -5.893 -2.613 1.00 0.17 N ATOM 451 CA LEU A 33 1.781 -5.241 -2.023 1.00 0.17 C ATOM 452 C LEU A 33 0.517 -6.044 -2.303 1.00 0.19 C ATOM 453 O LEU A 33 0.261 -6.464 -3.431 1.00 0.27 O ATOM 454 CB LEU A 33 1.662 -3.798 -2.555 1.00 0.22 C ATOM 455 CG LEU A 33 0.489 -2.951 -2.022 1.00 0.25 C ATOM 456 CD1 LEU A 33 -0.792 -3.285 -2.757 1.00 0.55 C ATOM 457 CD2 LEU A 33 0.294 -3.144 -0.521 1.00 0.49 C ATOM 0 H LEU A 33 3.006 -5.794 -3.626 1.00 0.17 H new ATOM 0 HA LEU A 33 1.909 -5.194 -0.942 1.00 0.17 H new ATOM 0 HB2 LEU A 33 2.590 -3.274 -2.325 1.00 0.22 H new ATOM 0 HB3 LEU A 33 1.582 -3.843 -3.641 1.00 0.22 H new ATOM 0 HG LEU A 33 0.738 -1.905 -2.200 1.00 0.25 H new ATOM 0 HD11 LEU A 33 -1.606 -2.676 -2.365 1.00 0.55 H new ATOM 0 HD12 LEU A 33 -0.665 -3.080 -3.820 1.00 0.55 H new ATOM 0 HD13 LEU A 33 -1.028 -4.340 -2.616 1.00 0.55 H new ATOM 0 HD21 LEU A 33 -0.541 -2.532 -0.181 1.00 0.49 H new ATOM 0 HD22 LEU A 33 0.083 -4.193 -0.313 1.00 0.49 H new ATOM 0 HD23 LEU A 33 1.201 -2.845 0.005 1.00 0.49 H new ATOM 469 N ALA A 34 -0.257 -6.272 -1.259 1.00 0.16 N ATOM 470 CA ALA A 34 -1.560 -6.902 -1.398 1.00 0.19 C ATOM 471 C ALA A 34 -2.643 -5.997 -0.833 1.00 0.18 C ATOM 472 O ALA A 34 -2.438 -5.343 0.187 1.00 0.25 O ATOM 473 CB ALA A 34 -1.591 -8.254 -0.701 1.00 0.25 C ATOM 0 H ALA A 34 -0.006 -6.030 -0.300 1.00 0.16 H new ATOM 0 HA ALA A 34 -1.747 -7.063 -2.460 1.00 0.19 H new ATOM 0 HB1 ALA A 34 -2.577 -8.703 -0.821 1.00 0.25 H new ATOM 0 HB2 ALA A 34 -0.839 -8.908 -1.142 1.00 0.25 H new ATOM 0 HB3 ALA A 34 -1.379 -8.121 0.360 1.00 0.25 H new ATOM 479 N VAL A 35 -3.780 -5.950 -1.502 1.00 0.16 N ATOM 480 CA VAL A 35 -4.904 -5.156 -1.038 1.00 0.14 C ATOM 481 C VAL A 35 -6.108 -6.055 -0.837 1.00 0.16 C ATOM 482 O VAL A 35 -6.377 -6.934 -1.647 1.00 0.23 O ATOM 483 CB VAL A 35 -5.265 -4.015 -2.018 1.00 0.16 C ATOM 484 CG1 VAL A 35 -6.345 -3.123 -1.430 1.00 0.13 C ATOM 485 CG2 VAL A 35 -4.039 -3.193 -2.356 1.00 0.21 C ATOM 0 H VAL A 35 -3.950 -6.454 -2.372 1.00 0.16 H new ATOM 0 HA VAL A 35 -4.612 -4.694 -0.095 1.00 0.14 H new ATOM 0 HB VAL A 35 -5.647 -4.466 -2.934 1.00 0.16 H new ATOM 0 HG11 VAL A 35 -6.584 -2.327 -2.136 1.00 0.13 H new ATOM 0 HG12 VAL A 35 -7.239 -3.715 -1.234 1.00 0.13 H new ATOM 0 HG13 VAL A 35 -5.988 -2.686 -0.497 1.00 0.13 H new ATOM 0 HG21 VAL A 35 -4.314 -2.396 -3.046 1.00 0.21 H new ATOM 0 HG22 VAL A 35 -3.630 -2.758 -1.444 1.00 0.21 H new ATOM 0 HG23 VAL A 35 -3.289 -3.833 -2.821 1.00 0.21 H new ATOM 495 N ASP A 36 -6.819 -5.833 0.243 1.00 0.19 N ATOM 496 CA ASP A 36 -7.941 -6.672 0.605 1.00 0.24 C ATOM 497 C ASP A 36 -9.159 -5.824 0.901 1.00 0.25 C ATOM 498 O ASP A 36 -9.164 -5.037 1.841 1.00 0.31 O ATOM 499 CB ASP A 36 -7.588 -7.524 1.823 1.00 0.33 C ATOM 500 CG ASP A 36 -6.813 -8.776 1.456 1.00 1.05 C ATOM 501 OD1 ASP A 36 -5.644 -8.655 1.021 1.00 1.52 O ATOM 502 OD2 ASP A 36 -7.366 -9.885 1.583 1.00 1.67 O ATOM 0 H ASP A 36 -6.639 -5.069 0.895 1.00 0.19 H new ATOM 0 HA ASP A 36 -8.169 -7.330 -0.234 1.00 0.24 H new ATOM 0 HB2 ASP A 36 -6.999 -6.928 2.520 1.00 0.33 H new ATOM 0 HB3 ASP A 36 -8.504 -7.807 2.341 1.00 0.33 H new ATOM 507 N LYS A 37 -10.190 -5.976 0.096 1.00 0.28 N ATOM 508 CA LYS A 37 -11.416 -5.240 0.314 1.00 0.33 C ATOM 509 C LYS A 37 -12.345 -6.033 1.187 1.00 0.46 C ATOM 510 O LYS A 37 -12.231 -7.253 1.291 1.00 0.63 O ATOM 511 CB LYS A 37 -12.162 -4.923 -0.959 1.00 0.42 C ATOM 512 CG LYS A 37 -11.312 -4.474 -2.110 1.00 0.95 C ATOM 513 CD LYS A 37 -12.186 -4.257 -3.332 1.00 0.77 C ATOM 514 CE LYS A 37 -11.506 -4.691 -4.617 1.00 1.13 C ATOM 515 NZ LYS A 37 -12.356 -4.431 -5.812 1.00 1.34 N ATOM 0 H LYS A 37 -10.203 -6.600 -0.711 1.00 0.28 H new ATOM 0 HA LYS A 37 -11.115 -4.303 0.782 1.00 0.33 H new ATOM 0 HB2 LYS A 37 -12.718 -5.810 -1.264 1.00 0.42 H new ATOM 0 HB3 LYS A 37 -12.895 -4.145 -0.746 1.00 0.42 H new ATOM 0 HG2 LYS A 37 -10.792 -3.551 -1.853 1.00 0.95 H new ATOM 0 HG3 LYS A 37 -10.548 -5.221 -2.325 1.00 0.95 H new ATOM 0 HD2 LYS A 37 -13.117 -4.811 -3.212 1.00 0.77 H new ATOM 0 HD3 LYS A 37 -12.450 -3.202 -3.403 1.00 0.77 H new ATOM 0 HE2 LYS A 37 -10.559 -4.161 -4.723 1.00 1.13 H new ATOM 0 HE3 LYS A 37 -11.272 -5.754 -4.563 1.00 1.13 H new ATOM 0 HZ1 LYS A 37 -11.855 -4.742 -6.669 1.00 1.34 H new ATOM 0 HZ2 LYS A 37 -13.249 -4.956 -5.724 1.00 1.34 H new ATOM 0 HZ3 LYS A 37 -12.558 -3.413 -5.879 1.00 1.34 H new ATOM 622 N ILE A 46 -6.527 -8.631 -3.641 1.00 0.38 N ATOM 623 CA ILE A 46 -5.732 -8.084 -4.738 1.00 0.33 C ATOM 624 C ILE A 46 -4.247 -8.275 -4.426 1.00 0.30 C ATOM 625 O ILE A 46 -3.832 -8.101 -3.282 1.00 0.34 O ATOM 626 CB ILE A 46 -6.002 -6.583 -4.962 1.00 0.35 C ATOM 627 CG1 ILE A 46 -7.465 -6.344 -5.318 1.00 0.44 C ATOM 628 CG2 ILE A 46 -5.107 -6.041 -6.060 1.00 0.45 C ATOM 629 CD1 ILE A 46 -8.354 -6.107 -4.118 1.00 0.40 C ATOM 0 HA ILE A 46 -6.014 -8.616 -5.646 1.00 0.33 H new ATOM 0 HB ILE A 46 -5.780 -6.057 -4.033 1.00 0.35 H new ATOM 0 HG12 ILE A 46 -7.531 -5.483 -5.983 1.00 0.44 H new ATOM 0 HG13 ILE A 46 -7.840 -7.205 -5.872 1.00 0.44 H new ATOM 0 HG21 ILE A 46 -5.311 -4.980 -6.205 1.00 0.45 H new ATOM 0 HG22 ILE A 46 -4.063 -6.175 -5.777 1.00 0.45 H new ATOM 0 HG23 ILE A 46 -5.303 -6.578 -6.988 1.00 0.45 H new ATOM 0 HD11 ILE A 46 -9.379 -5.945 -4.451 1.00 0.40 H new ATOM 0 HD12 ILE A 46 -8.319 -6.977 -3.462 1.00 0.40 H new ATOM 0 HD13 ILE A 46 -8.006 -5.228 -3.575 1.00 0.40 H new ATOM 641 N LYS A 47 -3.443 -8.633 -5.421 1.00 0.31 N ATOM 642 CA LYS A 47 -2.023 -8.864 -5.187 1.00 0.38 C ATOM 643 C LYS A 47 -1.158 -8.293 -6.314 1.00 0.41 C ATOM 644 O LYS A 47 -1.356 -8.614 -7.488 1.00 0.51 O ATOM 645 CB LYS A 47 -1.757 -10.361 -5.046 1.00 0.51 C ATOM 646 CG LYS A 47 -0.899 -10.738 -3.846 1.00 0.91 C ATOM 647 CD LYS A 47 0.457 -10.047 -3.867 1.00 1.56 C ATOM 648 CE LYS A 47 1.415 -10.673 -2.866 1.00 2.17 C ATOM 649 NZ LYS A 47 0.884 -10.649 -1.478 1.00 2.74 N ATOM 0 H LYS A 47 -3.745 -8.768 -6.386 1.00 0.31 H new ATOM 0 HA LYS A 47 -1.753 -8.349 -4.265 1.00 0.38 H new ATOM 0 HB2 LYS A 47 -2.712 -10.882 -4.972 1.00 0.51 H new ATOM 0 HB3 LYS A 47 -1.268 -10.718 -5.953 1.00 0.51 H new ATOM 0 HG2 LYS A 47 -1.425 -10.474 -2.929 1.00 0.91 H new ATOM 0 HG3 LYS A 47 -0.754 -11.818 -3.831 1.00 0.91 H new ATOM 0 HD2 LYS A 47 0.883 -10.109 -4.868 1.00 1.56 H new ATOM 0 HD3 LYS A 47 0.331 -8.989 -3.639 1.00 1.56 H new ATOM 0 HE2 LYS A 47 1.616 -11.704 -3.157 1.00 2.17 H new ATOM 0 HE3 LYS A 47 2.366 -10.141 -2.897 1.00 2.17 H new ATOM 0 HZ1 LYS A 47 1.479 -11.246 -0.868 1.00 2.74 H new ATOM 0 HZ2 LYS A 47 0.891 -9.672 -1.120 1.00 2.74 H new ATOM 0 HZ3 LYS A 47 -0.091 -11.012 -1.473 1.00 2.74 H new ATOM 663 N GLN A 48 -0.208 -7.440 -5.947 1.00 0.40 N ATOM 664 CA GLN A 48 0.797 -6.939 -6.879 1.00 0.47 C ATOM 665 C GLN A 48 2.185 -7.084 -6.265 1.00 0.50 C ATOM 666 O GLN A 48 2.491 -6.461 -5.250 1.00 0.78 O ATOM 667 CB GLN A 48 0.541 -5.468 -7.225 1.00 0.52 C ATOM 668 CG GLN A 48 -0.695 -5.232 -8.077 1.00 0.55 C ATOM 669 CD GLN A 48 -0.906 -3.764 -8.398 1.00 0.82 C ATOM 670 OE1 GLN A 48 0.045 -2.985 -8.471 1.00 1.63 O ATOM 671 NE2 GLN A 48 -2.152 -3.377 -8.606 1.00 1.37 N ATOM 0 H GLN A 48 -0.112 -7.077 -4.999 1.00 0.40 H new ATOM 0 HA GLN A 48 0.736 -7.525 -7.796 1.00 0.47 H new ATOM 0 HB2 GLN A 48 0.444 -4.901 -6.299 1.00 0.52 H new ATOM 0 HB3 GLN A 48 1.411 -5.074 -7.750 1.00 0.52 H new ATOM 0 HG2 GLN A 48 -0.605 -5.795 -9.006 1.00 0.55 H new ATOM 0 HG3 GLN A 48 -1.571 -5.616 -7.555 1.00 0.55 H new ATOM 0 HE21 GLN A 48 -2.914 -4.052 -8.537 1.00 1.37 H new ATOM 0 HE22 GLN A 48 -2.352 -2.404 -8.836 1.00 1.37 H new ATOM 680 N ALA A 49 3.023 -7.903 -6.876 1.00 0.32 N ATOM 681 CA ALA A 49 4.366 -8.132 -6.366 1.00 0.31 C ATOM 682 C ALA A 49 5.401 -7.966 -7.466 1.00 0.31 C ATOM 683 O ALA A 49 5.197 -8.414 -8.596 1.00 0.39 O ATOM 684 CB ALA A 49 4.469 -9.517 -5.747 1.00 0.33 C ATOM 0 H ALA A 49 2.799 -8.421 -7.726 1.00 0.32 H new ATOM 0 HA ALA A 49 4.567 -7.388 -5.595 1.00 0.31 H new ATOM 0 HB1 ALA A 49 5.480 -9.673 -5.370 1.00 0.33 H new ATOM 0 HB2 ALA A 49 3.758 -9.602 -4.925 1.00 0.33 H new ATOM 0 HB3 ALA A 49 4.243 -10.270 -6.501 1.00 0.33 H new ATOM 690 N GLY A 50 6.506 -7.314 -7.135 1.00 0.25 N ATOM 691 CA GLY A 50 7.564 -7.110 -8.097 1.00 0.26 C ATOM 692 C GLY A 50 8.651 -6.217 -7.551 1.00 0.23 C ATOM 693 O GLY A 50 8.908 -6.208 -6.347 1.00 0.25 O ATOM 0 H GLY A 50 6.687 -6.921 -6.211 1.00 0.25 H new ATOM 0 HA2 GLY A 50 7.991 -8.073 -8.378 1.00 0.26 H new ATOM 0 HA3 GLY A 50 7.151 -6.668 -9.004 1.00 0.26 H new ATOM 697 N ALA A 51 9.282 -5.458 -8.425 1.00 0.23 N ATOM 698 CA ALA A 51 10.350 -4.574 -8.026 1.00 0.21 C ATOM 699 C ALA A 51 10.169 -3.208 -8.662 1.00 0.23 C ATOM 700 O ALA A 51 9.608 -3.089 -9.751 1.00 0.38 O ATOM 701 CB ALA A 51 11.693 -5.172 -8.401 1.00 0.23 C ATOM 0 H ALA A 51 9.069 -5.439 -9.422 1.00 0.23 H new ATOM 0 HA ALA A 51 10.321 -4.451 -6.943 1.00 0.21 H new ATOM 0 HB1 ALA A 51 12.491 -4.495 -8.095 1.00 0.23 H new ATOM 0 HB2 ALA A 51 11.817 -6.131 -7.898 1.00 0.23 H new ATOM 0 HB3 ALA A 51 11.737 -5.320 -9.480 1.00 0.23 H new ATOM 707 N PHE A 52 10.643 -2.187 -7.980 1.00 0.15 N ATOM 708 CA PHE A 52 10.499 -0.818 -8.438 1.00 0.16 C ATOM 709 C PHE A 52 11.677 0.009 -7.925 1.00 0.14 C ATOM 710 O PHE A 52 12.509 -0.497 -7.170 1.00 0.16 O ATOM 711 CB PHE A 52 9.149 -0.257 -7.965 1.00 0.17 C ATOM 712 CG PHE A 52 8.844 1.143 -8.422 1.00 0.18 C ATOM 713 CD1 PHE A 52 8.741 1.447 -9.769 1.00 0.24 C ATOM 714 CD2 PHE A 52 8.671 2.156 -7.494 1.00 0.16 C ATOM 715 CE1 PHE A 52 8.468 2.737 -10.180 1.00 0.26 C ATOM 716 CE2 PHE A 52 8.400 3.448 -7.898 1.00 0.18 C ATOM 717 CZ PHE A 52 8.299 3.739 -9.244 1.00 0.23 C ATOM 0 H PHE A 52 11.139 -2.280 -7.093 1.00 0.15 H new ATOM 0 HA PHE A 52 10.509 -0.776 -9.527 1.00 0.16 H new ATOM 0 HB2 PHE A 52 8.356 -0.918 -8.315 1.00 0.17 H new ATOM 0 HB3 PHE A 52 9.125 -0.280 -6.876 1.00 0.17 H new ATOM 0 HD1 PHE A 52 8.875 0.668 -10.505 1.00 0.24 H new ATOM 0 HD2 PHE A 52 8.749 1.932 -6.440 1.00 0.16 H new ATOM 0 HE1 PHE A 52 8.387 2.962 -11.233 1.00 0.26 H new ATOM 0 HE2 PHE A 52 8.267 4.229 -7.164 1.00 0.18 H new ATOM 0 HZ PHE A 52 8.088 4.749 -9.565 1.00 0.23 H new ATOM 727 N THR A 53 11.756 1.259 -8.343 1.00 0.15 N ATOM 728 CA THR A 53 12.856 2.124 -7.967 1.00 0.16 C ATOM 729 C THR A 53 12.524 2.907 -6.710 1.00 0.16 C ATOM 730 O THR A 53 11.445 3.496 -6.600 1.00 0.27 O ATOM 731 CB THR A 53 13.209 3.097 -9.096 1.00 0.21 C ATOM 732 OG1 THR A 53 12.226 3.015 -10.144 1.00 0.43 O ATOM 733 CG2 THR A 53 14.592 2.792 -9.649 1.00 0.40 C ATOM 0 H THR A 53 11.064 1.700 -8.949 1.00 0.15 H new ATOM 0 HA THR A 53 13.718 1.485 -7.773 1.00 0.16 H new ATOM 0 HB THR A 53 13.213 4.110 -8.693 1.00 0.21 H new ATOM 0 HG1 THR A 53 11.389 3.424 -9.840 1.00 0.43 H new ATOM 0 HG21 THR A 53 14.826 3.493 -10.450 1.00 0.40 H new ATOM 0 HG22 THR A 53 15.331 2.889 -8.854 1.00 0.40 H new ATOM 0 HG23 THR A 53 14.611 1.775 -10.040 1.00 0.40 H new ATOM 741 N ALA A 54 13.449 2.919 -5.770 1.00 0.13 N ATOM 742 CA ALA A 54 13.223 3.571 -4.500 1.00 0.13 C ATOM 743 C ALA A 54 14.319 4.587 -4.214 1.00 0.14 C ATOM 744 O ALA A 54 15.480 4.368 -4.538 1.00 0.23 O ATOM 745 CB ALA A 54 13.128 2.537 -3.384 1.00 0.15 C ATOM 0 H ALA A 54 14.366 2.483 -5.865 1.00 0.13 H new ATOM 0 HA ALA A 54 12.276 4.108 -4.548 1.00 0.13 H new ATOM 0 HB1 ALA A 54 12.958 3.042 -2.433 1.00 0.15 H new ATOM 0 HB2 ALA A 54 12.300 1.857 -3.587 1.00 0.15 H new ATOM 0 HB3 ALA A 54 14.058 1.971 -3.332 1.00 0.15 H new ATOM 751 N ILE A 55 13.937 5.705 -3.625 1.00 0.17 N ATOM 752 CA ILE A 55 14.881 6.763 -3.296 1.00 0.18 C ATOM 753 C ILE A 55 15.093 6.841 -1.800 1.00 0.16 C ATOM 754 O ILE A 55 14.147 6.710 -1.025 1.00 0.14 O ATOM 755 CB ILE A 55 14.394 8.114 -3.817 1.00 0.21 C ATOM 756 CG1 ILE A 55 14.383 8.090 -5.336 1.00 0.26 C ATOM 757 CG2 ILE A 55 15.260 9.248 -3.297 1.00 0.23 C ATOM 758 CD1 ILE A 55 15.372 9.033 -5.977 1.00 0.33 C ATOM 0 H ILE A 55 12.972 5.907 -3.362 1.00 0.17 H new ATOM 0 HA ILE A 55 15.828 6.524 -3.779 1.00 0.18 H new ATOM 0 HB ILE A 55 13.382 8.290 -3.454 1.00 0.21 H new ATOM 0 HG12 ILE A 55 14.594 7.075 -5.674 1.00 0.26 H new ATOM 0 HG13 ILE A 55 13.381 8.340 -5.685 1.00 0.26 H new ATOM 0 HG21 ILE A 55 14.889 10.197 -3.685 1.00 0.23 H new ATOM 0 HG22 ILE A 55 15.225 9.263 -2.208 1.00 0.23 H new ATOM 0 HG23 ILE A 55 16.289 9.100 -3.625 1.00 0.23 H new ATOM 0 HD11 ILE A 55 15.300 8.954 -7.062 1.00 0.33 H new ATOM 0 HD12 ILE A 55 15.150 10.056 -5.672 1.00 0.33 H new ATOM 0 HD13 ILE A 55 16.382 8.771 -5.661 1.00 0.33 H new ATOM 770 N ALA A 56 16.341 7.057 -1.416 1.00 0.17 N ATOM 771 CA ALA A 56 16.721 7.100 -0.008 1.00 0.18 C ATOM 772 C ALA A 56 15.992 8.196 0.751 1.00 0.17 C ATOM 773 O ALA A 56 16.053 9.371 0.384 1.00 0.20 O ATOM 774 CB ALA A 56 18.216 7.266 0.161 1.00 0.22 C ATOM 0 H ALA A 56 17.115 7.207 -2.063 1.00 0.17 H new ATOM 0 HA ALA A 56 16.425 6.140 0.416 1.00 0.18 H new ATOM 0 HB1 ALA A 56 18.461 7.294 1.223 1.00 0.22 H new ATOM 0 HB2 ALA A 56 18.731 6.428 -0.308 1.00 0.22 H new ATOM 0 HB3 ALA A 56 18.534 8.196 -0.309 1.00 0.22 H new ATOM 780 N GLU A 57 15.299 7.777 1.808 1.00 0.16 N ATOM 781 CA GLU A 57 14.535 8.664 2.669 1.00 0.18 C ATOM 782 C GLU A 57 13.424 9.335 1.874 1.00 0.19 C ATOM 783 O GLU A 57 12.962 10.429 2.199 1.00 0.28 O ATOM 784 CB GLU A 57 15.453 9.673 3.337 1.00 0.23 C ATOM 785 CG GLU A 57 16.553 9.006 4.154 1.00 0.27 C ATOM 786 CD GLU A 57 17.473 9.999 4.828 1.00 0.74 C ATOM 787 OE1 GLU A 57 18.481 10.401 4.213 1.00 1.33 O ATOM 788 OE2 GLU A 57 17.192 10.379 5.985 1.00 0.75 O ATOM 0 H GLU A 57 15.255 6.798 2.090 1.00 0.16 H new ATOM 0 HA GLU A 57 14.065 8.083 3.462 1.00 0.18 H new ATOM 0 HB2 GLU A 57 15.905 10.309 2.576 1.00 0.23 H new ATOM 0 HB3 GLU A 57 14.865 10.322 3.986 1.00 0.23 H new ATOM 0 HG2 GLU A 57 16.099 8.368 4.912 1.00 0.27 H new ATOM 0 HG3 GLU A 57 17.140 8.359 3.502 1.00 0.27 H new ATOM 795 N GLN A 58 13.014 8.644 0.827 1.00 0.16 N ATOM 796 CA GLN A 58 11.912 9.039 -0.002 1.00 0.18 C ATOM 797 C GLN A 58 10.822 8.007 0.096 1.00 0.17 C ATOM 798 O GLN A 58 11.082 6.814 0.269 1.00 0.19 O ATOM 799 CB GLN A 58 12.333 9.173 -1.441 1.00 0.20 C ATOM 800 CG GLN A 58 12.244 10.589 -1.970 1.00 0.28 C ATOM 801 CD GLN A 58 11.272 11.459 -1.192 1.00 0.70 C ATOM 802 OE1 GLN A 58 10.073 11.486 -1.476 1.00 1.38 O ATOM 803 NE2 GLN A 58 11.785 12.198 -0.223 1.00 1.48 N ATOM 0 H GLN A 58 13.454 7.773 0.530 1.00 0.16 H new ATOM 0 HA GLN A 58 11.553 10.008 0.345 1.00 0.18 H new ATOM 0 HB2 GLN A 58 13.359 8.819 -1.545 1.00 0.20 H new ATOM 0 HB3 GLN A 58 11.708 8.525 -2.055 1.00 0.20 H new ATOM 0 HG2 GLN A 58 13.234 11.044 -1.939 1.00 0.28 H new ATOM 0 HG3 GLN A 58 11.939 10.561 -3.016 1.00 0.28 H new ATOM 0 HE21 GLN A 58 12.783 12.148 -0.017 1.00 1.48 H new ATOM 0 HE22 GLN A 58 11.183 12.818 0.319 1.00 1.48 H new ATOM 812 N ARG A 59 9.613 8.479 0.001 1.00 0.16 N ATOM 813 CA ARG A 59 8.452 7.616 0.015 1.00 0.17 C ATOM 814 C ARG A 59 8.173 7.087 -1.382 1.00 0.17 C ATOM 815 O ARG A 59 8.106 7.847 -2.349 1.00 0.22 O ATOM 816 CB ARG A 59 7.237 8.366 0.536 1.00 0.24 C ATOM 817 CG ARG A 59 7.019 8.245 2.034 1.00 0.30 C ATOM 818 CD ARG A 59 8.181 8.776 2.832 1.00 0.44 C ATOM 819 NE ARG A 59 7.944 8.664 4.271 1.00 1.37 N ATOM 820 CZ ARG A 59 8.241 9.608 5.164 1.00 1.72 C ATOM 821 NH1 ARG A 59 8.779 10.757 4.779 1.00 1.51 N ATOM 822 NH2 ARG A 59 7.995 9.396 6.451 1.00 2.72 N ATOM 0 H ARG A 59 9.397 9.472 -0.089 1.00 0.16 H new ATOM 0 HA ARG A 59 8.656 6.776 0.679 1.00 0.17 H new ATOM 0 HB2 ARG A 59 7.339 9.421 0.280 1.00 0.24 H new ATOM 0 HB3 ARG A 59 6.350 7.998 0.021 1.00 0.24 H new ATOM 0 HG2 ARG A 59 6.115 8.787 2.311 1.00 0.30 H new ATOM 0 HG3 ARG A 59 6.855 7.198 2.290 1.00 0.30 H new ATOM 0 HD2 ARG A 59 9.085 8.227 2.568 1.00 0.44 H new ATOM 0 HD3 ARG A 59 8.355 9.820 2.572 1.00 0.44 H new ATOM 0 HE ARG A 59 7.521 7.802 4.616 1.00 1.37 H new ATOM 0 HH11 ARG A 59 8.969 10.925 3.791 1.00 1.51 H new ATOM 0 HH12 ARG A 59 9.002 11.473 5.471 1.00 1.51 H new ATOM 0 HH21 ARG A 59 7.581 8.514 6.753 1.00 2.72 H new ATOM 0 HH22 ARG A 59 8.220 10.115 7.138 1.00 2.72 H new ATOM 836 N VAL A 60 8.039 5.782 -1.477 1.00 0.13 N ATOM 837 CA VAL A 60 7.739 5.115 -2.725 1.00 0.14 C ATOM 838 C VAL A 60 6.439 4.353 -2.582 1.00 0.13 C ATOM 839 O VAL A 60 6.386 3.340 -1.898 1.00 0.12 O ATOM 840 CB VAL A 60 8.881 4.139 -3.093 1.00 0.14 C ATOM 841 CG1 VAL A 60 8.496 3.241 -4.259 1.00 0.15 C ATOM 842 CG2 VAL A 60 10.134 4.923 -3.418 1.00 0.15 C ATOM 0 H VAL A 60 8.136 5.149 -0.683 1.00 0.13 H new ATOM 0 HA VAL A 60 7.643 5.857 -3.518 1.00 0.14 H new ATOM 0 HB VAL A 60 9.070 3.494 -2.235 1.00 0.14 H new ATOM 0 HG11 VAL A 60 9.323 2.569 -4.489 1.00 0.15 H new ATOM 0 HG12 VAL A 60 7.616 2.656 -3.992 1.00 0.15 H new ATOM 0 HG13 VAL A 60 8.273 3.854 -5.132 1.00 0.15 H new ATOM 0 HG21 VAL A 60 10.938 4.234 -3.677 1.00 0.15 H new ATOM 0 HG22 VAL A 60 9.940 5.587 -4.260 1.00 0.15 H new ATOM 0 HG23 VAL A 60 10.429 5.514 -2.551 1.00 0.15 H new ATOM 852 N THR A 61 5.393 4.810 -3.232 1.00 0.15 N ATOM 853 CA THR A 61 4.110 4.183 -3.043 1.00 0.15 C ATOM 854 C THR A 61 3.905 3.074 -4.050 1.00 0.16 C ATOM 855 O THR A 61 4.047 3.266 -5.258 1.00 0.19 O ATOM 856 CB THR A 61 2.951 5.185 -3.097 1.00 0.17 C ATOM 857 OG1 THR A 61 3.347 6.437 -2.515 1.00 0.19 O ATOM 858 CG2 THR A 61 1.763 4.627 -2.337 1.00 0.19 C ATOM 0 H THR A 61 5.405 5.596 -3.882 1.00 0.15 H new ATOM 0 HA THR A 61 4.111 3.755 -2.041 1.00 0.15 H new ATOM 0 HB THR A 61 2.676 5.351 -4.139 1.00 0.17 H new ATOM 0 HG1 THR A 61 2.599 7.069 -2.557 1.00 0.19 H new ATOM 0 HG21 THR A 61 0.939 5.340 -2.376 1.00 0.19 H new ATOM 0 HG22 THR A 61 1.451 3.686 -2.790 1.00 0.19 H new ATOM 0 HG23 THR A 61 2.044 4.454 -1.298 1.00 0.19 H new ATOM 866 N VAL A 62 3.564 1.912 -3.531 1.00 0.15 N ATOM 867 CA VAL A 62 3.595 0.695 -4.298 1.00 0.15 C ATOM 868 C VAL A 62 2.259 -0.041 -4.273 1.00 0.15 C ATOM 869 O VAL A 62 1.580 -0.085 -3.248 1.00 0.16 O ATOM 870 CB VAL A 62 4.737 -0.207 -3.767 1.00 0.14 C ATOM 871 CG1 VAL A 62 4.489 -1.691 -4.023 1.00 0.14 C ATOM 872 CG2 VAL A 62 6.063 0.237 -4.370 1.00 0.16 C ATOM 0 H VAL A 62 3.258 1.790 -2.565 1.00 0.15 H new ATOM 0 HA VAL A 62 3.782 0.951 -5.341 1.00 0.15 H new ATOM 0 HB VAL A 62 4.772 -0.089 -2.684 1.00 0.14 H new ATOM 0 HG11 VAL A 62 5.323 -2.272 -3.629 1.00 0.14 H new ATOM 0 HG12 VAL A 62 3.567 -1.997 -3.528 1.00 0.14 H new ATOM 0 HG13 VAL A 62 4.400 -1.865 -5.095 1.00 0.14 H new ATOM 0 HG21 VAL A 62 6.865 -0.399 -3.995 1.00 0.16 H new ATOM 0 HG22 VAL A 62 6.014 0.156 -5.456 1.00 0.16 H new ATOM 0 HG23 VAL A 62 6.261 1.272 -4.092 1.00 0.16 H new ATOM 882 N GLY A 63 1.889 -0.597 -5.421 1.00 0.18 N ATOM 883 CA GLY A 63 0.676 -1.377 -5.522 1.00 0.21 C ATOM 884 C GLY A 63 -0.517 -0.531 -5.890 1.00 0.20 C ATOM 885 O GLY A 63 -1.408 -0.329 -5.077 1.00 0.28 O ATOM 0 H GLY A 63 2.416 -0.518 -6.291 1.00 0.18 H new ATOM 0 HA2 GLY A 63 0.810 -2.158 -6.270 1.00 0.21 H new ATOM 0 HA3 GLY A 63 0.486 -1.875 -4.571 1.00 0.21 H new ATOM 889 N ASN A 64 -0.535 -0.041 -7.121 1.00 0.33 N ATOM 890 CA ASN A 64 -1.613 0.820 -7.574 1.00 0.40 C ATOM 891 C ASN A 64 -2.854 0.006 -7.876 1.00 0.37 C ATOM 892 O ASN A 64 -2.923 -0.727 -8.866 1.00 0.52 O ATOM 893 CB ASN A 64 -1.185 1.642 -8.800 1.00 0.67 C ATOM 894 CG ASN A 64 -0.453 0.827 -9.853 1.00 1.31 C ATOM 895 OD1 ASN A 64 -1.063 0.239 -10.743 1.00 2.17 O ATOM 896 ND2 ASN A 64 0.869 0.808 -9.773 1.00 1.98 N ATOM 0 H ASN A 64 0.184 -0.225 -7.821 1.00 0.33 H new ATOM 0 HA ASN A 64 -1.849 1.518 -6.771 1.00 0.40 H new ATOM 0 HB2 ASN A 64 -2.069 2.093 -9.251 1.00 0.67 H new ATOM 0 HB3 ASN A 64 -0.542 2.459 -8.473 1.00 0.67 H new ATOM 0 HD21 ASN A 64 1.414 0.293 -10.464 1.00 1.98 H new ATOM 0 HD22 ASN A 64 1.342 1.308 -9.020 1.00 1.98 H new ATOM 903 N VAL A 65 -3.828 0.125 -6.993 1.00 0.25 N ATOM 904 CA VAL A 65 -5.127 -0.473 -7.208 1.00 0.33 C ATOM 905 C VAL A 65 -6.195 0.594 -7.025 1.00 0.27 C ATOM 906 O VAL A 65 -6.091 1.437 -6.134 1.00 0.35 O ATOM 907 CB VAL A 65 -5.385 -1.667 -6.252 1.00 0.43 C ATOM 908 CG1 VAL A 65 -4.192 -2.610 -6.240 1.00 1.29 C ATOM 909 CG2 VAL A 65 -5.707 -1.204 -4.840 1.00 1.10 C ATOM 0 H VAL A 65 -3.740 0.635 -6.114 1.00 0.25 H new ATOM 0 HA VAL A 65 -5.161 -0.869 -8.223 1.00 0.33 H new ATOM 0 HB VAL A 65 -6.256 -2.202 -6.630 1.00 0.43 H new ATOM 0 HG11 VAL A 65 -4.392 -3.441 -5.564 1.00 1.29 H new ATOM 0 HG12 VAL A 65 -4.021 -2.994 -7.246 1.00 1.29 H new ATOM 0 HG13 VAL A 65 -3.306 -2.072 -5.902 1.00 1.29 H new ATOM 0 HG21 VAL A 65 -5.881 -2.072 -4.203 1.00 1.10 H new ATOM 0 HG22 VAL A 65 -4.870 -0.627 -4.447 1.00 1.10 H new ATOM 0 HG23 VAL A 65 -6.601 -0.581 -4.856 1.00 1.10 H new ATOM 919 N VAL A 66 -7.196 0.598 -7.882 1.00 0.25 N ATOM 920 CA VAL A 66 -8.241 1.600 -7.789 1.00 0.23 C ATOM 921 C VAL A 66 -9.591 0.942 -7.574 1.00 0.24 C ATOM 922 O VAL A 66 -10.074 0.183 -8.415 1.00 0.27 O ATOM 923 CB VAL A 66 -8.287 2.514 -9.031 1.00 0.28 C ATOM 924 CG1 VAL A 66 -9.356 3.585 -8.868 1.00 0.30 C ATOM 925 CG2 VAL A 66 -6.928 3.155 -9.265 1.00 0.29 C ATOM 0 H VAL A 66 -7.309 -0.072 -8.643 1.00 0.25 H new ATOM 0 HA VAL A 66 -8.006 2.228 -6.930 1.00 0.23 H new ATOM 0 HB VAL A 66 -8.540 1.904 -9.899 1.00 0.28 H new ATOM 0 HG11 VAL A 66 -9.373 4.220 -9.754 1.00 0.30 H new ATOM 0 HG12 VAL A 66 -10.330 3.111 -8.742 1.00 0.30 H new ATOM 0 HG13 VAL A 66 -9.132 4.192 -7.991 1.00 0.30 H new ATOM 0 HG21 VAL A 66 -6.975 3.797 -10.144 1.00 0.29 H new ATOM 0 HG22 VAL A 66 -6.652 3.751 -8.395 1.00 0.29 H new ATOM 0 HG23 VAL A 66 -6.181 2.377 -9.424 1.00 0.29 H new ATOM 935 N LEU A 67 -10.183 1.239 -6.435 1.00 0.22 N ATOM 936 CA LEU A 67 -11.451 0.659 -6.042 1.00 0.23 C ATOM 937 C LEU A 67 -12.550 1.689 -6.231 1.00 0.24 C ATOM 938 O LEU A 67 -12.269 2.879 -6.377 1.00 0.26 O ATOM 939 CB LEU A 67 -11.432 0.242 -4.564 1.00 0.21 C ATOM 940 CG LEU A 67 -10.210 -0.545 -4.055 1.00 0.19 C ATOM 941 CD1 LEU A 67 -9.832 -1.657 -5.020 1.00 0.25 C ATOM 942 CD2 LEU A 67 -9.017 0.368 -3.785 1.00 0.18 C ATOM 0 H LEU A 67 -9.797 1.892 -5.753 1.00 0.22 H new ATOM 0 HA LEU A 67 -11.629 -0.221 -6.660 1.00 0.23 H new ATOM 0 HB2 LEU A 67 -11.524 1.145 -3.960 1.00 0.21 H new ATOM 0 HB3 LEU A 67 -12.321 -0.360 -4.375 1.00 0.21 H new ATOM 0 HG LEU A 67 -10.495 -0.999 -3.106 1.00 0.19 H new ATOM 0 HD11 LEU A 67 -8.966 -2.195 -4.634 1.00 0.25 H new ATOM 0 HD12 LEU A 67 -10.670 -2.346 -5.127 1.00 0.25 H new ATOM 0 HD13 LEU A 67 -9.589 -1.228 -5.992 1.00 0.25 H new ATOM 0 HD21 LEU A 67 -8.177 -0.227 -3.428 1.00 0.18 H new ATOM 0 HD22 LEU A 67 -8.734 0.879 -4.705 1.00 0.18 H new ATOM 0 HD23 LEU A 67 -9.287 1.105 -3.029 1.00 0.18 H new ATOM 954 N ASP A 68 -13.794 1.247 -6.242 1.00 0.26 N ATOM 955 CA ASP A 68 -14.905 2.178 -6.182 1.00 0.28 C ATOM 956 C ASP A 68 -14.997 2.707 -4.757 1.00 0.28 C ATOM 957 O ASP A 68 -14.956 1.939 -3.795 1.00 0.30 O ATOM 958 CB ASP A 68 -16.223 1.529 -6.632 1.00 0.32 C ATOM 959 CG ASP A 68 -16.703 0.414 -5.722 1.00 0.79 C ATOM 960 OD1 ASP A 68 -16.083 -0.672 -5.719 1.00 0.92 O ATOM 961 OD2 ASP A 68 -17.726 0.607 -5.033 1.00 1.25 O ATOM 0 H ASP A 68 -14.058 0.263 -6.291 1.00 0.26 H new ATOM 0 HA ASP A 68 -14.730 3.002 -6.874 1.00 0.28 H new ATOM 0 HB2 ASP A 68 -16.994 2.297 -6.687 1.00 0.32 H new ATOM 0 HB3 ASP A 68 -16.096 1.133 -7.639 1.00 0.32 H new ATOM 966 N TYR A 69 -15.070 4.019 -4.624 1.00 0.28 N ATOM 967 CA TYR A 69 -14.940 4.654 -3.321 1.00 0.27 C ATOM 968 C TYR A 69 -16.220 4.581 -2.509 1.00 0.27 C ATOM 969 O TYR A 69 -17.301 4.935 -2.982 1.00 0.30 O ATOM 970 CB TYR A 69 -14.506 6.111 -3.474 1.00 0.29 C ATOM 971 CG TYR A 69 -14.731 6.937 -2.234 1.00 0.28 C ATOM 972 CD1 TYR A 69 -14.104 6.612 -1.040 1.00 0.26 C ATOM 973 CD2 TYR A 69 -15.577 8.034 -2.260 1.00 0.31 C ATOM 974 CE1 TYR A 69 -14.320 7.364 0.104 1.00 0.27 C ATOM 975 CE2 TYR A 69 -15.797 8.789 -1.130 1.00 0.32 C ATOM 976 CZ TYR A 69 -15.170 8.450 0.047 1.00 0.30 C ATOM 977 OH TYR A 69 -15.400 9.194 1.174 1.00 0.33 O ATOM 0 H TYR A 69 -15.218 4.666 -5.399 1.00 0.28 H new ATOM 0 HA TYR A 69 -14.174 4.100 -2.778 1.00 0.27 H new ATOM 0 HB2 TYR A 69 -13.448 6.142 -3.735 1.00 0.29 H new ATOM 0 HB3 TYR A 69 -15.052 6.559 -4.304 1.00 0.29 H new ATOM 0 HD1 TYR A 69 -13.439 5.762 -1.001 1.00 0.26 H new ATOM 0 HD2 TYR A 69 -16.072 8.301 -3.182 1.00 0.31 H new ATOM 0 HE1 TYR A 69 -13.829 7.103 1.030 1.00 0.27 H new ATOM 0 HE2 TYR A 69 -16.458 9.642 -1.167 1.00 0.32 H new ATOM 0 HH TYR A 69 -16.021 9.923 0.964 1.00 0.33 H new ATOM 987 N SER A 70 -16.075 4.109 -1.282 1.00 0.25 N ATOM 988 CA SER A 70 -17.137 4.182 -0.296 1.00 0.27 C ATOM 989 C SER A 70 -16.529 4.483 1.069 1.00 0.29 C ATOM 990 O SER A 70 -15.647 3.762 1.536 1.00 0.28 O ATOM 991 CB SER A 70 -17.941 2.879 -0.272 1.00 0.30 C ATOM 992 OG SER A 70 -17.268 1.852 -0.988 1.00 0.99 O ATOM 0 H SER A 70 -15.221 3.666 -0.944 1.00 0.25 H new ATOM 0 HA SER A 70 -17.827 4.984 -0.560 1.00 0.27 H new ATOM 0 HB2 SER A 70 -18.099 2.564 0.759 1.00 0.30 H new ATOM 0 HB3 SER A 70 -18.925 3.047 -0.709 1.00 0.30 H new ATOM 0 HG SER A 70 -17.870 1.088 -1.108 1.00 0.99 H new ATOM 998 N SER A 71 -16.980 5.563 1.692 1.00 0.36 N ATOM 999 CA SER A 71 -16.435 5.983 2.972 1.00 0.42 C ATOM 1000 C SER A 71 -16.806 5.003 4.076 1.00 0.43 C ATOM 1001 O SER A 71 -16.109 4.897 5.082 1.00 0.50 O ATOM 1002 CB SER A 71 -16.912 7.387 3.312 1.00 0.50 C ATOM 1003 OG SER A 71 -18.312 7.516 3.143 1.00 0.54 O ATOM 0 H SER A 71 -17.722 6.163 1.331 1.00 0.36 H new ATOM 0 HA SER A 71 -15.348 5.995 2.893 1.00 0.42 H new ATOM 0 HB2 SER A 71 -16.646 7.623 4.342 1.00 0.50 H new ATOM 0 HB3 SER A 71 -16.400 8.110 2.677 1.00 0.50 H new ATOM 0 HG SER A 71 -18.586 8.429 3.371 1.00 0.54 H new ATOM 1009 N ALA A 72 -17.889 4.267 3.866 1.00 0.39 N ATOM 1010 CA ALA A 72 -18.332 3.266 4.825 1.00 0.43 C ATOM 1011 C ALA A 72 -17.725 1.901 4.515 1.00 0.40 C ATOM 1012 O ALA A 72 -17.955 0.929 5.237 1.00 0.50 O ATOM 1013 CB ALA A 72 -19.847 3.182 4.827 1.00 0.47 C ATOM 0 H ALA A 72 -18.478 4.345 3.037 1.00 0.39 H new ATOM 0 HA ALA A 72 -17.991 3.568 5.815 1.00 0.43 H new ATOM 0 HB1 ALA A 72 -20.169 2.430 5.548 1.00 0.47 H new ATOM 0 HB2 ALA A 72 -20.265 4.151 5.102 1.00 0.47 H new ATOM 0 HB3 ALA A 72 -20.197 2.905 3.833 1.00 0.47 H new ATOM 1019 N ASN A 73 -16.938 1.834 3.445 1.00 0.32 N ATOM 1020 CA ASN A 73 -16.349 0.573 3.010 1.00 0.30 C ATOM 1021 C ASN A 73 -15.105 0.249 3.813 1.00 0.33 C ATOM 1022 O ASN A 73 -14.415 1.145 4.316 1.00 0.47 O ATOM 1023 CB ASN A 73 -15.963 0.621 1.538 1.00 0.32 C ATOM 1024 CG ASN A 73 -16.315 -0.664 0.810 1.00 0.53 C ATOM 1025 OD1 ASN A 73 -17.386 -0.771 0.216 1.00 1.32 O ATOM 1026 ND2 ASN A 73 -15.430 -1.648 0.861 1.00 0.95 N ATOM 0 H ASN A 73 -16.694 2.637 2.865 1.00 0.32 H new ATOM 0 HA ASN A 73 -17.105 -0.197 3.166 1.00 0.30 H new ATOM 0 HB2 ASN A 73 -16.470 1.459 1.059 1.00 0.32 H new ATOM 0 HB3 ASN A 73 -14.892 0.804 1.451 1.00 0.32 H new ATOM 0 HD21 ASN A 73 -15.626 -2.535 0.397 1.00 0.95 H new ATOM 0 HD22 ASN A 73 -14.552 -1.519 1.365 1.00 0.95 H new ATOM 1033 N ARG A 74 -14.822 -1.032 3.924 1.00 0.32 N ATOM 1034 CA ARG A 74 -13.597 -1.495 4.536 1.00 0.35 C ATOM 1035 C ARG A 74 -12.622 -1.918 3.448 1.00 0.27 C ATOM 1036 O ARG A 74 -12.858 -2.884 2.735 1.00 0.32 O ATOM 1037 CB ARG A 74 -13.894 -2.668 5.466 1.00 0.48 C ATOM 1038 CG ARG A 74 -14.903 -2.342 6.557 1.00 0.73 C ATOM 1039 CD ARG A 74 -14.312 -1.452 7.637 1.00 1.02 C ATOM 1040 NE ARG A 74 -13.360 -2.176 8.478 1.00 1.49 N ATOM 1041 CZ ARG A 74 -13.082 -1.847 9.737 1.00 1.89 C ATOM 1042 NH1 ARG A 74 -13.644 -0.778 10.287 1.00 2.10 N ATOM 1043 NH2 ARG A 74 -12.230 -2.583 10.442 1.00 2.50 N ATOM 0 H ARG A 74 -15.433 -1.779 3.593 1.00 0.32 H new ATOM 0 HA ARG A 74 -13.153 -0.690 5.122 1.00 0.35 H new ATOM 0 HB2 ARG A 74 -14.269 -3.503 4.875 1.00 0.48 H new ATOM 0 HB3 ARG A 74 -12.964 -2.997 5.930 1.00 0.48 H new ATOM 0 HG2 ARG A 74 -15.768 -1.848 6.114 1.00 0.73 H new ATOM 0 HG3 ARG A 74 -15.261 -3.268 7.007 1.00 0.73 H new ATOM 0 HD2 ARG A 74 -13.813 -0.601 7.174 1.00 1.02 H new ATOM 0 HD3 ARG A 74 -15.114 -1.052 8.257 1.00 1.02 H new ATOM 0 HE ARG A 74 -12.880 -2.981 8.076 1.00 1.49 H new ATOM 0 HH11 ARG A 74 -14.291 -0.206 9.744 1.00 2.10 H new ATOM 0 HH12 ARG A 74 -13.429 -0.528 11.252 1.00 2.10 H new ATOM 0 HH21 ARG A 74 -11.790 -3.400 10.018 1.00 2.50 H new ATOM 0 HH22 ARG A 74 -12.016 -2.332 11.407 1.00 2.50 H new ATOM 1057 N TYR A 75 -11.557 -1.161 3.286 1.00 0.19 N ATOM 1058 CA TYR A 75 -10.494 -1.536 2.370 1.00 0.14 C ATOM 1059 C TYR A 75 -9.200 -1.654 3.145 1.00 0.13 C ATOM 1060 O TYR A 75 -8.865 -0.764 3.920 1.00 0.15 O ATOM 1061 CB TYR A 75 -10.327 -0.502 1.261 1.00 0.12 C ATOM 1062 CG TYR A 75 -11.482 -0.449 0.302 1.00 0.13 C ATOM 1063 CD1 TYR A 75 -11.853 -1.577 -0.393 1.00 0.19 C ATOM 1064 CD2 TYR A 75 -12.195 0.723 0.086 1.00 0.18 C ATOM 1065 CE1 TYR A 75 -12.901 -1.557 -1.281 1.00 0.25 C ATOM 1066 CE2 TYR A 75 -13.252 0.757 -0.803 1.00 0.24 C ATOM 1067 CZ TYR A 75 -13.602 -0.388 -1.487 1.00 0.27 C ATOM 1068 OH TYR A 75 -14.656 -0.368 -2.369 1.00 0.35 O ATOM 0 H TYR A 75 -11.402 -0.280 3.777 1.00 0.19 H new ATOM 0 HA TYR A 75 -10.753 -2.489 1.908 1.00 0.14 H new ATOM 0 HB2 TYR A 75 -10.195 0.482 1.711 1.00 0.12 H new ATOM 0 HB3 TYR A 75 -9.416 -0.723 0.706 1.00 0.12 H new ATOM 0 HD1 TYR A 75 -11.309 -2.497 -0.237 1.00 0.19 H new ATOM 0 HD2 TYR A 75 -11.919 1.620 0.620 1.00 0.18 H new ATOM 0 HE1 TYR A 75 -13.175 -2.454 -1.816 1.00 0.25 H new ATOM 0 HE2 TYR A 75 -13.800 1.674 -0.961 1.00 0.24 H new ATOM 0 HH TYR A 75 -14.652 0.478 -2.864 1.00 0.35 H new ATOM 1078 N ALA A 76 -8.487 -2.741 2.956 1.00 0.14 N ATOM 1079 CA ALA A 76 -7.243 -2.963 3.670 1.00 0.13 C ATOM 1080 C ALA A 76 -6.113 -3.285 2.718 1.00 0.12 C ATOM 1081 O ALA A 76 -6.337 -3.548 1.544 1.00 0.12 O ATOM 1082 CB ALA A 76 -7.382 -4.068 4.689 1.00 0.16 C ATOM 0 H ALA A 76 -8.745 -3.489 2.313 1.00 0.14 H new ATOM 0 HA ALA A 76 -7.007 -2.036 4.192 1.00 0.13 H new ATOM 0 HB1 ALA A 76 -6.432 -4.208 5.206 1.00 0.16 H new ATOM 0 HB2 ALA A 76 -8.153 -3.801 5.412 1.00 0.16 H new ATOM 0 HB3 ALA A 76 -7.662 -4.994 4.186 1.00 0.16 H new ATOM 1088 N ALA A 77 -4.904 -3.261 3.235 1.00 0.13 N ATOM 1089 CA ALA A 77 -3.720 -3.478 2.435 1.00 0.13 C ATOM 1090 C ALA A 77 -2.632 -4.092 3.286 1.00 0.14 C ATOM 1091 O ALA A 77 -2.720 -4.083 4.505 1.00 0.16 O ATOM 1092 CB ALA A 77 -3.242 -2.170 1.835 1.00 0.12 C ATOM 0 H ALA A 77 -4.715 -3.090 4.223 1.00 0.13 H new ATOM 0 HA ALA A 77 -3.963 -4.162 1.622 1.00 0.13 H new ATOM 0 HB1 ALA A 77 -2.350 -2.349 1.235 1.00 0.12 H new ATOM 0 HB2 ALA A 77 -4.026 -1.752 1.203 1.00 0.12 H new ATOM 0 HB3 ALA A 77 -3.007 -1.467 2.634 1.00 0.12 H new ATOM 1098 N ARG A 78 -1.636 -4.654 2.642 1.00 0.14 N ATOM 1099 CA ARG A 78 -0.475 -5.194 3.324 1.00 0.16 C ATOM 1100 C ARG A 78 0.694 -5.270 2.370 1.00 0.14 C ATOM 1101 O ARG A 78 0.614 -5.921 1.326 1.00 0.16 O ATOM 1102 CB ARG A 78 -0.739 -6.574 3.917 1.00 0.23 C ATOM 1103 CG ARG A 78 -1.441 -7.509 2.975 1.00 0.56 C ATOM 1104 CD ARG A 78 -2.934 -7.389 3.165 1.00 1.56 C ATOM 1105 NE ARG A 78 -3.661 -8.563 2.705 1.00 2.06 N ATOM 1106 CZ ARG A 78 -3.682 -9.734 3.334 1.00 2.77 C ATOM 1107 NH1 ARG A 78 -2.969 -9.926 4.441 1.00 3.25 N ATOM 1108 NH2 ARG A 78 -4.433 -10.710 2.855 1.00 3.35 N ATOM 0 H ARG A 78 -1.605 -4.752 1.627 1.00 0.14 H new ATOM 0 HA ARG A 78 -0.244 -4.520 4.149 1.00 0.16 H new ATOM 0 HB2 ARG A 78 0.210 -7.019 4.217 1.00 0.23 H new ATOM 0 HB3 ARG A 78 -1.339 -6.463 4.820 1.00 0.23 H new ATOM 0 HG2 ARG A 78 -1.175 -7.272 1.945 1.00 0.56 H new ATOM 0 HG3 ARG A 78 -1.122 -8.535 3.159 1.00 0.56 H new ATOM 0 HD2 ARG A 78 -3.149 -7.226 4.221 1.00 1.56 H new ATOM 0 HD3 ARG A 78 -3.294 -6.512 2.628 1.00 1.56 H new ATOM 0 HE ARG A 78 -4.192 -8.481 1.838 1.00 2.06 H new ATOM 0 HH11 ARG A 78 -2.397 -9.170 4.817 1.00 3.25 H new ATOM 0 HH12 ARG A 78 -2.994 -10.830 4.914 1.00 3.25 H new ATOM 0 HH21 ARG A 78 -4.988 -10.560 2.012 1.00 3.35 H new ATOM 0 HH22 ARG A 78 -4.458 -11.613 3.328 1.00 3.35 H new ATOM 1122 N LEU A 79 1.772 -4.600 2.704 1.00 0.17 N ATOM 1123 CA LEU A 79 2.932 -4.621 1.848 1.00 0.15 C ATOM 1124 C LEU A 79 4.089 -5.297 2.546 1.00 0.15 C ATOM 1125 O LEU A 79 4.504 -4.889 3.628 1.00 0.22 O ATOM 1126 CB LEU A 79 3.330 -3.215 1.410 1.00 0.16 C ATOM 1127 CG LEU A 79 3.902 -3.132 -0.010 1.00 0.15 C ATOM 1128 CD1 LEU A 79 4.164 -1.689 -0.395 1.00 0.18 C ATOM 1129 CD2 LEU A 79 5.165 -3.979 -0.155 1.00 0.16 C ATOM 0 H LEU A 79 1.869 -4.041 3.551 1.00 0.17 H new ATOM 0 HA LEU A 79 2.674 -5.189 0.954 1.00 0.15 H new ATOM 0 HB2 LEU A 79 2.456 -2.566 1.475 1.00 0.16 H new ATOM 0 HB3 LEU A 79 4.069 -2.825 2.110 1.00 0.16 H new ATOM 0 HG LEU A 79 3.159 -3.539 -0.695 1.00 0.15 H new ATOM 0 HD11 LEU A 79 4.570 -1.650 -1.406 1.00 0.18 H new ATOM 0 HD12 LEU A 79 3.231 -1.127 -0.357 1.00 0.18 H new ATOM 0 HD13 LEU A 79 4.880 -1.251 0.300 1.00 0.18 H new ATOM 0 HD21 LEU A 79 5.543 -3.897 -1.174 1.00 0.16 H new ATOM 0 HD22 LEU A 79 5.923 -3.624 0.543 1.00 0.16 H new ATOM 0 HD23 LEU A 79 4.931 -5.021 0.062 1.00 0.16 H new ATOM 1141 N ASP A 80 4.582 -6.339 1.919 1.00 0.12 N ATOM 1142 CA ASP A 80 5.758 -7.035 2.381 1.00 0.12 C ATOM 1143 C ASP A 80 6.954 -6.557 1.579 1.00 0.11 C ATOM 1144 O ASP A 80 6.947 -6.611 0.357 1.00 0.15 O ATOM 1145 CB ASP A 80 5.555 -8.542 2.222 1.00 0.15 C ATOM 1146 CG ASP A 80 6.735 -9.372 2.696 1.00 1.16 C ATOM 1147 OD1 ASP A 80 7.767 -9.386 1.992 1.00 2.22 O ATOM 1148 OD2 ASP A 80 6.659 -9.971 3.787 1.00 1.06 O ATOM 0 H ASP A 80 4.175 -6.729 1.069 1.00 0.12 H new ATOM 0 HA ASP A 80 5.935 -6.827 3.436 1.00 0.12 H new ATOM 0 HB2 ASP A 80 4.666 -8.840 2.778 1.00 0.15 H new ATOM 0 HB3 ASP A 80 5.364 -8.765 1.172 1.00 0.15 H new ATOM 1153 N VAL A 81 7.955 -6.027 2.242 1.00 0.09 N ATOM 1154 CA VAL A 81 9.156 -5.636 1.542 1.00 0.10 C ATOM 1155 C VAL A 81 10.270 -6.597 1.908 1.00 0.12 C ATOM 1156 O VAL A 81 10.806 -6.542 3.009 1.00 0.13 O ATOM 1157 CB VAL A 81 9.592 -4.197 1.874 1.00 0.09 C ATOM 1158 CG1 VAL A 81 10.642 -3.729 0.887 1.00 0.09 C ATOM 1159 CG2 VAL A 81 8.406 -3.245 1.887 1.00 0.09 C ATOM 0 H VAL A 81 7.964 -5.859 3.248 1.00 0.09 H new ATOM 0 HA VAL A 81 8.945 -5.670 0.473 1.00 0.10 H new ATOM 0 HB VAL A 81 10.023 -4.197 2.875 1.00 0.09 H new ATOM 0 HG11 VAL A 81 10.943 -2.710 1.131 1.00 0.09 H new ATOM 0 HG12 VAL A 81 11.510 -4.386 0.940 1.00 0.09 H new ATOM 0 HG13 VAL A 81 10.230 -3.753 -0.122 1.00 0.09 H new ATOM 0 HG21 VAL A 81 8.750 -2.238 2.125 1.00 0.09 H new ATOM 0 HG22 VAL A 81 7.930 -3.244 0.907 1.00 0.09 H new ATOM 0 HG23 VAL A 81 7.687 -3.570 2.639 1.00 0.09 H new ATOM 1169 N SER A 82 10.603 -7.472 0.982 1.00 0.14 N ATOM 1170 CA SER A 82 11.643 -8.456 1.191 1.00 0.17 C ATOM 1171 C SER A 82 12.641 -8.402 0.044 1.00 0.20 C ATOM 1172 O SER A 82 12.388 -8.924 -1.041 1.00 0.25 O ATOM 1173 CB SER A 82 11.021 -9.844 1.303 1.00 0.21 C ATOM 1174 OG SER A 82 9.866 -9.956 0.484 1.00 0.82 O ATOM 0 H SER A 82 10.160 -7.521 0.064 1.00 0.14 H new ATOM 0 HA SER A 82 12.172 -8.237 2.119 1.00 0.17 H new ATOM 0 HB2 SER A 82 11.752 -10.598 1.011 1.00 0.21 H new ATOM 0 HB3 SER A 82 10.755 -10.044 2.341 1.00 0.21 H new ATOM 0 HG SER A 82 9.076 -10.086 1.049 1.00 0.82 H new ATOM 1180 N PHE A 83 13.775 -7.777 0.296 1.00 0.21 N ATOM 1181 CA PHE A 83 14.770 -7.540 -0.735 1.00 0.24 C ATOM 1182 C PHE A 83 16.170 -7.616 -0.145 1.00 0.24 C ATOM 1183 O PHE A 83 16.643 -6.674 0.496 1.00 0.23 O ATOM 1184 CB PHE A 83 14.527 -6.171 -1.389 1.00 0.26 C ATOM 1185 CG PHE A 83 15.621 -5.730 -2.324 1.00 0.27 C ATOM 1186 CD1 PHE A 83 15.878 -6.428 -3.491 1.00 0.31 C ATOM 1187 CD2 PHE A 83 16.394 -4.618 -2.029 1.00 0.29 C ATOM 1188 CE1 PHE A 83 16.884 -6.026 -4.348 1.00 0.34 C ATOM 1189 CE2 PHE A 83 17.402 -4.212 -2.881 1.00 0.32 C ATOM 1190 CZ PHE A 83 17.648 -4.916 -4.040 1.00 0.34 C ATOM 0 H PHE A 83 14.033 -7.420 1.216 1.00 0.21 H new ATOM 0 HA PHE A 83 14.682 -8.311 -1.500 1.00 0.24 H new ATOM 0 HB2 PHE A 83 13.587 -6.206 -1.939 1.00 0.26 H new ATOM 0 HB3 PHE A 83 14.411 -5.422 -0.605 1.00 0.26 H new ATOM 0 HD1 PHE A 83 15.285 -7.297 -3.735 1.00 0.31 H new ATOM 0 HD2 PHE A 83 16.206 -4.063 -1.122 1.00 0.29 H new ATOM 0 HE1 PHE A 83 17.073 -6.578 -5.257 1.00 0.34 H new ATOM 0 HE2 PHE A 83 17.997 -3.344 -2.639 1.00 0.32 H new ATOM 0 HZ PHE A 83 18.437 -4.601 -4.707 1.00 0.34 H new ATOM 1200 N GLY A 84 16.822 -8.748 -0.343 1.00 0.30 N ATOM 1201 CA GLY A 84 18.159 -8.930 0.171 1.00 0.34 C ATOM 1202 C GLY A 84 18.185 -8.980 1.682 1.00 0.34 C ATOM 1203 O GLY A 84 17.795 -9.980 2.286 1.00 0.41 O ATOM 0 H GLY A 84 16.447 -9.548 -0.853 1.00 0.30 H new ATOM 0 HA2 GLY A 84 18.578 -9.853 -0.229 1.00 0.34 H new ATOM 0 HA3 GLY A 84 18.794 -8.115 -0.175 1.00 0.34 H new ATOM 1207 N SER A 85 18.612 -7.889 2.297 1.00 0.32 N ATOM 1208 CA SER A 85 18.750 -7.837 3.740 1.00 0.36 C ATOM 1209 C SER A 85 17.488 -7.305 4.411 1.00 0.31 C ATOM 1210 O SER A 85 17.314 -7.452 5.619 1.00 0.35 O ATOM 1211 CB SER A 85 19.939 -6.966 4.099 1.00 0.43 C ATOM 1212 OG SER A 85 19.834 -5.682 3.503 1.00 0.42 O ATOM 0 H SER A 85 18.869 -7.027 1.817 1.00 0.32 H new ATOM 0 HA SER A 85 18.909 -8.852 4.104 1.00 0.36 H new ATOM 0 HB2 SER A 85 20.003 -6.863 5.182 1.00 0.43 H new ATOM 0 HB3 SER A 85 20.859 -7.449 3.769 1.00 0.43 H new ATOM 0 HG SER A 85 20.612 -5.141 3.752 1.00 0.42 H new ATOM 1218 N VAL A 86 16.598 -6.707 3.631 1.00 0.24 N ATOM 1219 CA VAL A 86 15.387 -6.123 4.191 1.00 0.20 C ATOM 1220 C VAL A 86 14.209 -7.081 4.073 1.00 0.17 C ATOM 1221 O VAL A 86 14.021 -7.728 3.043 1.00 0.18 O ATOM 1222 CB VAL A 86 15.019 -4.774 3.520 1.00 0.18 C ATOM 1223 CG1 VAL A 86 14.692 -4.947 2.043 1.00 0.17 C ATOM 1224 CG2 VAL A 86 13.853 -4.124 4.246 1.00 0.19 C ATOM 0 H VAL A 86 16.690 -6.614 2.619 1.00 0.24 H new ATOM 0 HA VAL A 86 15.598 -5.934 5.244 1.00 0.20 H new ATOM 0 HB VAL A 86 15.891 -4.124 3.590 1.00 0.18 H new ATOM 0 HG11 VAL A 86 14.440 -3.979 1.610 1.00 0.17 H new ATOM 0 HG12 VAL A 86 15.557 -5.362 1.525 1.00 0.17 H new ATOM 0 HG13 VAL A 86 13.845 -5.625 1.935 1.00 0.17 H new ATOM 0 HG21 VAL A 86 13.606 -3.178 3.764 1.00 0.19 H new ATOM 0 HG22 VAL A 86 12.988 -4.786 4.211 1.00 0.19 H new ATOM 0 HG23 VAL A 86 14.128 -3.941 5.285 1.00 0.19 H new ATOM 1234 N THR A 87 13.451 -7.206 5.151 1.00 0.17 N ATOM 1235 CA THR A 87 12.174 -7.895 5.114 1.00 0.17 C ATOM 1236 C THR A 87 11.246 -7.321 6.177 1.00 0.15 C ATOM 1237 O THR A 87 11.538 -7.377 7.373 1.00 0.18 O ATOM 1238 CB THR A 87 12.326 -9.412 5.325 1.00 0.21 C ATOM 1239 OG1 THR A 87 13.321 -9.931 4.436 1.00 0.25 O ATOM 1240 CG2 THR A 87 11.004 -10.106 5.064 1.00 0.23 C ATOM 0 H THR A 87 13.702 -6.836 6.068 1.00 0.17 H new ATOM 0 HA THR A 87 11.748 -7.740 4.123 1.00 0.17 H new ATOM 0 HB THR A 87 12.632 -9.595 6.355 1.00 0.21 H new ATOM 0 HG1 THR A 87 13.382 -9.358 3.643 1.00 0.25 H new ATOM 0 HG21 THR A 87 11.120 -11.179 5.215 1.00 0.23 H new ATOM 0 HG22 THR A 87 10.250 -9.722 5.751 1.00 0.23 H new ATOM 0 HG23 THR A 87 10.690 -9.916 4.038 1.00 0.23 H new ATOM 1248 N ILE A 88 10.133 -6.766 5.720 1.00 0.12 N ATOM 1249 CA ILE A 88 9.178 -6.078 6.582 1.00 0.11 C ATOM 1250 C ILE A 88 7.783 -6.206 6.009 1.00 0.10 C ATOM 1251 O ILE A 88 7.622 -6.614 4.860 1.00 0.11 O ATOM 1252 CB ILE A 88 9.480 -4.581 6.713 1.00 0.10 C ATOM 1253 CG1 ILE A 88 9.171 -3.883 5.400 1.00 0.09 C ATOM 1254 CG2 ILE A 88 10.925 -4.352 7.124 1.00 0.14 C ATOM 1255 CD1 ILE A 88 9.517 -2.421 5.406 1.00 0.09 C ATOM 0 H ILE A 88 9.864 -6.779 4.736 1.00 0.12 H new ATOM 0 HA ILE A 88 9.256 -6.545 7.564 1.00 0.11 H new ATOM 0 HB ILE A 88 8.847 -4.160 7.494 1.00 0.10 H new ATOM 0 HG12 ILE A 88 9.720 -4.375 4.597 1.00 0.09 H new ATOM 0 HG13 ILE A 88 8.110 -3.997 5.177 1.00 0.09 H new ATOM 0 HG21 ILE A 88 11.114 -3.282 7.210 1.00 0.14 H new ATOM 0 HG22 ILE A 88 11.110 -4.832 8.085 1.00 0.14 H new ATOM 0 HG23 ILE A 88 11.589 -4.778 6.372 1.00 0.14 H new ATOM 0 HD11 ILE A 88 9.271 -1.985 4.438 1.00 0.09 H new ATOM 0 HD12 ILE A 88 8.949 -1.916 6.187 1.00 0.09 H new ATOM 0 HD13 ILE A 88 10.583 -2.300 5.598 1.00 0.09 H new ATOM 1267 N GLN A 89 6.781 -5.866 6.796 1.00 0.11 N ATOM 1268 CA GLN A 89 5.423 -5.801 6.290 1.00 0.14 C ATOM 1269 C GLN A 89 4.601 -4.771 7.060 1.00 0.14 C ATOM 1270 O GLN A 89 4.929 -4.413 8.193 1.00 0.20 O ATOM 1271 CB GLN A 89 4.737 -7.168 6.362 1.00 0.22 C ATOM 1272 CG GLN A 89 4.688 -7.760 7.759 1.00 0.68 C ATOM 1273 CD GLN A 89 3.793 -8.980 7.837 1.00 1.04 C ATOM 1274 OE1 GLN A 89 4.231 -10.106 7.603 1.00 1.53 O ATOM 1275 NE2 GLN A 89 2.534 -8.763 8.177 1.00 1.88 N ATOM 0 H GLN A 89 6.880 -5.631 7.784 1.00 0.11 H new ATOM 0 HA GLN A 89 5.482 -5.496 5.245 1.00 0.14 H new ATOM 0 HB2 GLN A 89 3.720 -7.073 5.983 1.00 0.22 H new ATOM 0 HB3 GLN A 89 5.260 -7.861 5.703 1.00 0.22 H new ATOM 0 HG2 GLN A 89 5.696 -8.032 8.071 1.00 0.68 H new ATOM 0 HG3 GLN A 89 4.330 -7.005 8.459 1.00 0.68 H new ATOM 0 HE21 GLN A 89 2.212 -7.813 8.362 1.00 1.88 H new ATOM 0 HE22 GLN A 89 1.884 -9.546 8.254 1.00 1.88 H new ATOM 1284 N CYS A 90 3.553 -4.288 6.418 1.00 0.20 N ATOM 1285 CA CYS A 90 2.613 -3.352 7.022 1.00 0.21 C ATOM 1286 C CYS A 90 1.209 -3.678 6.546 1.00 0.23 C ATOM 1287 O CYS A 90 1.050 -4.425 5.586 1.00 0.31 O ATOM 1288 CB CYS A 90 2.981 -1.918 6.650 1.00 0.22 C ATOM 1289 SG CYS A 90 3.723 -1.771 4.996 1.00 0.97 S ATOM 0 H CYS A 90 3.325 -4.534 5.455 1.00 0.20 H new ATOM 0 HA CYS A 90 2.657 -3.444 8.107 1.00 0.21 H new ATOM 0 HB2 CYS A 90 2.086 -1.297 6.696 1.00 0.22 H new ATOM 0 HB3 CYS A 90 3.679 -1.526 7.390 1.00 0.22 H new ATOM 1294 N ASN A 91 0.198 -3.127 7.201 1.00 0.19 N ATOM 1295 CA ASN A 91 -1.184 -3.446 6.851 1.00 0.18 C ATOM 1296 C ASN A 91 -2.099 -2.238 7.048 1.00 0.16 C ATOM 1297 O ASN A 91 -2.026 -1.547 8.065 1.00 0.18 O ATOM 1298 CB ASN A 91 -1.674 -4.650 7.668 1.00 0.20 C ATOM 1299 CG ASN A 91 -1.760 -4.381 9.159 1.00 1.05 C ATOM 1300 OD1 ASN A 91 -0.763 -4.471 9.879 1.00 1.87 O ATOM 1301 ND2 ASN A 91 -2.957 -4.083 9.639 1.00 1.82 N ATOM 0 H ASN A 91 0.303 -2.464 7.969 1.00 0.19 H new ATOM 0 HA ASN A 91 -1.217 -3.710 5.794 1.00 0.18 H new ATOM 0 HB2 ASN A 91 -2.657 -4.949 7.304 1.00 0.20 H new ATOM 0 HB3 ASN A 91 -1.002 -5.491 7.498 1.00 0.20 H new ATOM 0 HD21 ASN A 91 -3.079 -3.918 10.638 1.00 1.82 H new ATOM 0 HD22 ASN A 91 -3.757 -4.018 9.010 1.00 1.82 H new ATOM 1308 N LEU A 92 -2.949 -1.984 6.052 1.00 0.14 N ATOM 1309 CA LEU A 92 -3.810 -0.805 6.044 1.00 0.13 C ATOM 1310 C LEU A 92 -4.978 -0.956 7.007 1.00 0.14 C ATOM 1311 O LEU A 92 -5.635 -1.996 7.049 1.00 0.17 O ATOM 1312 CB LEU A 92 -4.344 -0.498 4.631 1.00 0.12 C ATOM 1313 CG LEU A 92 -5.637 0.325 4.585 1.00 0.11 C ATOM 1314 CD1 LEU A 92 -5.405 1.748 5.074 1.00 0.14 C ATOM 1315 CD2 LEU A 92 -6.197 0.365 3.186 1.00 0.12 C ATOM 0 H LEU A 92 -3.058 -2.585 5.235 1.00 0.14 H new ATOM 0 HA LEU A 92 -3.191 0.030 6.372 1.00 0.13 H new ATOM 0 HB2 LEU A 92 -3.572 0.036 4.077 1.00 0.12 H new ATOM 0 HB3 LEU A 92 -4.514 -1.441 4.112 1.00 0.12 H new ATOM 0 HG LEU A 92 -6.353 -0.162 5.247 1.00 0.11 H new ATOM 0 HD11 LEU A 92 -6.341 2.305 5.029 1.00 0.14 H new ATOM 0 HD12 LEU A 92 -5.045 1.725 6.103 1.00 0.14 H new ATOM 0 HD13 LEU A 92 -4.663 2.234 4.441 1.00 0.14 H new ATOM 0 HD21 LEU A 92 -7.114 0.954 3.178 1.00 0.12 H new ATOM 0 HD22 LEU A 92 -5.468 0.819 2.515 1.00 0.12 H new ATOM 0 HD23 LEU A 92 -6.415 -0.650 2.852 1.00 0.12 H new ATOM 1327 N ASP A 93 -5.210 0.088 7.785 1.00 0.17 N ATOM 1328 CA ASP A 93 -6.420 0.205 8.584 1.00 0.19 C ATOM 1329 C ASP A 93 -7.554 0.702 7.705 1.00 0.17 C ATOM 1330 O ASP A 93 -7.551 1.856 7.285 1.00 0.18 O ATOM 1331 CB ASP A 93 -6.219 1.185 9.743 1.00 0.26 C ATOM 1332 CG ASP A 93 -5.318 0.644 10.828 1.00 1.08 C ATOM 1333 OD1 ASP A 93 -5.826 -0.059 11.730 1.00 1.02 O ATOM 1334 OD2 ASP A 93 -4.101 0.925 10.792 1.00 2.13 O ATOM 0 H ASP A 93 -4.569 0.875 7.881 1.00 0.17 H new ATOM 0 HA ASP A 93 -6.659 -0.776 8.994 1.00 0.19 H new ATOM 0 HB2 ASP A 93 -5.796 2.113 9.357 1.00 0.26 H new ATOM 0 HB3 ASP A 93 -7.189 1.432 10.174 1.00 0.26 H new ATOM 1339 N PRO A 94 -8.546 -0.149 7.412 1.00 0.18 N ATOM 1340 CA PRO A 94 -9.667 0.215 6.537 1.00 0.19 C ATOM 1341 C PRO A 94 -10.457 1.409 7.066 1.00 0.23 C ATOM 1342 O PRO A 94 -11.276 1.997 6.359 1.00 0.27 O ATOM 1343 CB PRO A 94 -10.546 -1.041 6.522 1.00 0.24 C ATOM 1344 CG PRO A 94 -10.104 -1.846 7.693 1.00 0.40 C ATOM 1345 CD PRO A 94 -8.653 -1.533 7.895 1.00 0.21 C ATOM 0 HA PRO A 94 -9.320 0.517 5.549 1.00 0.19 H new ATOM 0 HB2 PRO A 94 -11.602 -0.782 6.599 1.00 0.24 H new ATOM 0 HB3 PRO A 94 -10.421 -1.597 5.593 1.00 0.24 H new ATOM 0 HG2 PRO A 94 -10.684 -1.592 8.580 1.00 0.40 H new ATOM 0 HG3 PRO A 94 -10.250 -2.911 7.510 1.00 0.40 H new ATOM 0 HD2 PRO A 94 -8.363 -1.619 8.942 1.00 0.21 H new ATOM 0 HD3 PRO A 94 -8.011 -2.209 7.330 1.00 0.21 H new ATOM 1353 N GLU A 95 -10.181 1.767 8.310 1.00 0.26 N ATOM 1354 CA GLU A 95 -10.833 2.885 8.964 1.00 0.34 C ATOM 1355 C GLU A 95 -10.211 4.209 8.531 1.00 0.32 C ATOM 1356 O GLU A 95 -10.627 5.276 8.977 1.00 0.46 O ATOM 1357 CB GLU A 95 -10.714 2.725 10.476 1.00 0.44 C ATOM 1358 CG GLU A 95 -11.232 1.403 10.969 1.00 0.69 C ATOM 1359 CD GLU A 95 -10.924 1.153 12.425 1.00 1.02 C ATOM 1360 OE1 GLU A 95 -11.741 1.548 13.281 1.00 1.21 O ATOM 1361 OE2 GLU A 95 -9.870 0.548 12.722 1.00 1.42 O ATOM 0 H GLU A 95 -9.496 1.287 8.894 1.00 0.26 H new ATOM 0 HA GLU A 95 -11.884 2.894 8.676 1.00 0.34 H new ATOM 0 HB2 GLU A 95 -9.669 2.830 10.766 1.00 0.44 H new ATOM 0 HB3 GLU A 95 -11.263 3.530 10.965 1.00 0.44 H new ATOM 0 HG2 GLU A 95 -12.311 1.364 10.820 1.00 0.69 H new ATOM 0 HG3 GLU A 95 -10.798 0.603 10.369 1.00 0.69 H new ATOM 1368 N THR A 96 -9.217 4.139 7.659 1.00 0.23 N ATOM 1369 CA THR A 96 -8.526 5.330 7.209 1.00 0.24 C ATOM 1370 C THR A 96 -8.948 5.735 5.800 1.00 0.23 C ATOM 1371 O THR A 96 -8.645 6.839 5.343 1.00 0.30 O ATOM 1372 CB THR A 96 -7.014 5.128 7.252 1.00 0.25 C ATOM 1373 OG1 THR A 96 -6.630 4.110 6.328 1.00 0.23 O ATOM 1374 CG2 THR A 96 -6.562 4.741 8.651 1.00 0.31 C ATOM 0 H THR A 96 -8.874 3.269 7.251 1.00 0.23 H new ATOM 0 HA THR A 96 -8.803 6.134 7.891 1.00 0.24 H new ATOM 0 HB THR A 96 -6.536 6.068 6.977 1.00 0.25 H new ATOM 0 HG1 THR A 96 -6.994 3.248 6.621 1.00 0.23 H new ATOM 0 HG21 THR A 96 -5.481 4.602 8.659 1.00 0.31 H new ATOM 0 HG22 THR A 96 -6.831 5.531 9.352 1.00 0.31 H new ATOM 0 HG23 THR A 96 -7.049 3.812 8.947 1.00 0.31 H new ATOM 1382 N VAL A 97 -9.634 4.826 5.112 1.00 0.20 N ATOM 1383 CA VAL A 97 -10.241 5.119 3.804 1.00 0.23 C ATOM 1384 C VAL A 97 -11.158 6.350 3.862 1.00 0.29 C ATOM 1385 O VAL A 97 -11.513 6.920 2.829 1.00 0.64 O ATOM 1386 CB VAL A 97 -11.057 3.915 3.282 1.00 0.28 C ATOM 1387 CG1 VAL A 97 -11.720 4.229 1.939 1.00 0.59 C ATOM 1388 CG2 VAL A 97 -10.173 2.681 3.167 1.00 0.51 C ATOM 0 H VAL A 97 -9.788 3.871 5.437 1.00 0.20 H new ATOM 0 HA VAL A 97 -9.416 5.324 3.122 1.00 0.23 H new ATOM 0 HB VAL A 97 -11.849 3.711 4.003 1.00 0.28 H new ATOM 0 HG11 VAL A 97 -12.286 3.361 1.601 1.00 0.59 H new ATOM 0 HG12 VAL A 97 -12.393 5.078 2.055 1.00 0.59 H new ATOM 0 HG13 VAL A 97 -10.954 4.472 1.203 1.00 0.59 H new ATOM 0 HG21 VAL A 97 -10.764 1.843 2.798 1.00 0.51 H new ATOM 0 HG22 VAL A 97 -9.356 2.882 2.474 1.00 0.51 H new ATOM 0 HG23 VAL A 97 -9.765 2.433 4.147 1.00 0.51 H new ATOM 1398 N LYS A 98 -11.530 6.771 5.067 1.00 0.29 N ATOM 1399 CA LYS A 98 -12.423 7.909 5.230 1.00 0.38 C ATOM 1400 C LYS A 98 -11.689 9.212 4.968 1.00 0.40 C ATOM 1401 O LYS A 98 -11.589 10.061 5.856 1.00 0.47 O ATOM 1402 CB LYS A 98 -13.052 7.959 6.621 1.00 0.55 C ATOM 1403 CG LYS A 98 -14.078 6.877 6.911 1.00 0.71 C ATOM 1404 CD LYS A 98 -13.434 5.680 7.565 1.00 0.53 C ATOM 1405 CE LYS A 98 -12.965 4.669 6.549 1.00 1.34 C ATOM 1406 NZ LYS A 98 -14.016 3.659 6.238 1.00 2.40 N ATOM 0 H LYS A 98 -11.227 6.342 5.941 1.00 0.29 H new ATOM 0 HA LYS A 98 -13.222 7.782 4.500 1.00 0.38 H new ATOM 0 HB2 LYS A 98 -12.257 7.891 7.363 1.00 0.55 H new ATOM 0 HB3 LYS A 98 -13.527 8.931 6.752 1.00 0.55 H new ATOM 0 HG2 LYS A 98 -14.857 7.275 7.561 1.00 0.71 H new ATOM 0 HG3 LYS A 98 -14.562 6.572 5.983 1.00 0.71 H new ATOM 0 HD2 LYS A 98 -12.588 6.008 8.169 1.00 0.53 H new ATOM 0 HD3 LYS A 98 -14.146 5.210 8.243 1.00 0.53 H new ATOM 0 HE2 LYS A 98 -12.675 5.184 5.633 1.00 1.34 H new ATOM 0 HE3 LYS A 98 -12.076 4.163 6.925 1.00 1.34 H new ATOM 0 HZ1 LYS A 98 -13.569 2.796 5.868 1.00 2.40 H new ATOM 0 HZ2 LYS A 98 -14.546 3.431 7.104 1.00 2.40 H new ATOM 0 HZ3 LYS A 98 -14.667 4.044 5.525 1.00 2.40 H new