USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 497 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 28 SER OG : rot 140:sc= 0.21 USER MOD Set 1.2: A 60 ASN : amide:sc= 0.249 X(o=0.46,f=0.17) USER MOD Set 2.1: A 24 ASN : amide:sc= -7.19! C(o=-8.7!,f=-23!) USER MOD Set 2.2: A 26 SER OG : rot -33:sc= -1.51 USER MOD Set 3.1: A 5 THR OG1 : rot 32:sc= 0.862 USER MOD Set 3.2: A 8 GLN : amide:sc= 0 X(o=0.86,f=0.79) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0.19) USER MOD Single : A 29 SER OG : rot 72:sc= 0.718 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 166:sc= -4.86! (180deg=-5.14!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= -0.403 USER MOD Single : A 49 ASN : amide:sc= -1.42! C(o=-1.4!,f=-4.7!) USER MOD Single : A 52 MET CE :methyl -124:sc= -1.42 (180deg=-3.91!) USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 61 HIS :FLIP no HE2:sc= -11.1! C(o=-12!,f=-11!) USER MOD Single : A 62 GLN : amide:sc= -0.276 X(o=-0.28,f=-0.041) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -137:sc= -0.987 (180deg=-4.01!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -9.876 -7.343 -14.593 1.00 0.00 N ATOM 59 CA THR A 5 -10.894 -8.434 -14.609 1.00 0.00 C ATOM 60 C THR A 5 -10.902 -9.168 -13.265 1.00 0.00 C ATOM 61 O THR A 5 -10.289 -8.739 -12.308 1.00 0.00 O ATOM 62 CB THR A 5 -10.451 -9.372 -15.732 1.00 0.00 C ATOM 63 OG1 THR A 5 -9.573 -8.679 -16.608 1.00 0.00 O ATOM 64 CG2 THR A 5 -11.676 -9.854 -16.510 1.00 0.00 C ATOM 0 HA THR A 5 -11.904 -8.056 -14.770 1.00 0.00 H new ATOM 0 HB THR A 5 -9.934 -10.231 -15.305 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.058 -8.018 -16.100 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.359 -10.523 -17.310 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.348 -10.387 -15.837 1.00 0.00 H new ATOM 0 HG23 THR A 5 -12.196 -8.997 -16.938 1.00 0.00 H new ATOM 72 N GLU A 6 -11.591 -10.274 -13.187 1.00 0.00 N ATOM 73 CA GLU A 6 -11.638 -11.034 -11.906 1.00 0.00 C ATOM 74 C GLU A 6 -10.231 -11.495 -11.512 1.00 0.00 C ATOM 75 O GLU A 6 -9.675 -11.050 -10.528 1.00 0.00 O ATOM 76 CB GLU A 6 -12.536 -12.238 -12.192 1.00 0.00 C ATOM 77 CG GLU A 6 -13.885 -12.047 -11.495 1.00 0.00 C ATOM 78 CD GLU A 6 -14.885 -13.074 -12.027 1.00 0.00 C ATOM 79 OE1 GLU A 6 -14.543 -13.773 -12.967 1.00 0.00 O ATOM 80 OE2 GLU A 6 -15.976 -13.145 -11.486 1.00 0.00 O ATOM 0 H GLU A 6 -12.123 -10.684 -13.955 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.017 -10.430 -11.081 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.682 -12.349 -13.266 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -12.059 -13.153 -11.840 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -13.769 -12.162 -10.417 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -14.257 -11.037 -11.670 1.00 0.00 H new ATOM 87 N GLU A 7 -9.654 -12.384 -12.273 1.00 0.00 N ATOM 88 CA GLU A 7 -8.284 -12.872 -11.941 1.00 0.00 C ATOM 89 C GLU A 7 -7.339 -11.688 -11.724 1.00 0.00 C ATOM 90 O GLU A 7 -6.519 -11.692 -10.827 1.00 0.00 O ATOM 91 CB GLU A 7 -7.850 -13.690 -13.158 1.00 0.00 C ATOM 92 CG GLU A 7 -7.736 -15.165 -12.767 1.00 0.00 C ATOM 93 CD GLU A 7 -6.347 -15.686 -13.137 1.00 0.00 C ATOM 94 OE1 GLU A 7 -5.417 -15.415 -12.395 1.00 0.00 O ATOM 95 OE2 GLU A 7 -6.236 -16.347 -14.156 1.00 0.00 O ATOM 0 H GLU A 7 -10.071 -12.793 -13.109 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.266 -13.463 -11.025 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.572 -13.572 -13.966 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -6.892 -13.327 -13.531 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.907 -15.283 -11.697 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.502 -15.748 -13.278 1.00 0.00 H new ATOM 102 N GLN A 8 -7.445 -10.672 -12.537 1.00 0.00 N ATOM 103 CA GLN A 8 -6.551 -9.491 -12.372 1.00 0.00 C ATOM 104 C GLN A 8 -6.665 -8.942 -10.948 1.00 0.00 C ATOM 105 O GLN A 8 -5.713 -8.949 -10.192 1.00 0.00 O ATOM 106 CB GLN A 8 -7.057 -8.465 -13.386 1.00 0.00 C ATOM 107 CG GLN A 8 -5.867 -7.825 -14.103 1.00 0.00 C ATOM 108 CD GLN A 8 -5.466 -8.690 -15.299 1.00 0.00 C ATOM 109 OE1 GLN A 8 -6.126 -8.679 -16.319 1.00 0.00 O ATOM 110 NE2 GLN A 8 -4.406 -9.446 -15.216 1.00 0.00 N ATOM 0 H GLN A 8 -8.111 -10.609 -13.307 1.00 0.00 H new ATOM 0 HA GLN A 8 -5.502 -9.739 -12.535 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -7.715 -8.947 -14.110 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -7.646 -7.699 -12.881 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -6.128 -6.821 -14.438 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -5.027 -7.724 -13.416 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -3.852 -9.455 -14.360 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -4.131 -10.028 -16.007 1.00 0.00 H new ATOM 119 N ILE A 9 -7.822 -8.471 -10.574 1.00 0.00 N ATOM 120 CA ILE A 9 -7.994 -7.926 -9.197 1.00 0.00 C ATOM 121 C ILE A 9 -7.458 -8.924 -8.169 1.00 0.00 C ATOM 122 O ILE A 9 -6.912 -8.550 -7.150 1.00 0.00 O ATOM 123 CB ILE A 9 -9.503 -7.741 -9.030 1.00 0.00 C ATOM 124 CG1 ILE A 9 -10.008 -6.725 -10.056 1.00 0.00 C ATOM 125 CG2 ILE A 9 -9.801 -7.231 -7.619 1.00 0.00 C ATOM 126 CD1 ILE A 9 -11.506 -6.490 -9.847 1.00 0.00 C ATOM 0 H ILE A 9 -8.655 -8.440 -11.161 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.452 -6.992 -9.049 1.00 0.00 H new ATOM 0 HB ILE A 9 -10.006 -8.696 -9.185 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.464 -5.786 -9.952 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.824 -7.090 -11.066 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.876 -7.099 -7.499 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.441 -7.954 -6.887 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -9.299 -6.276 -7.464 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -11.866 -5.766 -10.578 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.043 -7.430 -9.973 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -11.677 -6.106 -8.841 1.00 0.00 H new ATOM 138 N ALA A 10 -7.610 -10.194 -8.431 1.00 0.00 N ATOM 139 CA ALA A 10 -7.108 -11.219 -7.472 1.00 0.00 C ATOM 140 C ALA A 10 -5.582 -11.157 -7.384 1.00 0.00 C ATOM 141 O ALA A 10 -5.018 -10.976 -6.322 1.00 0.00 O ATOM 142 CB ALA A 10 -7.560 -12.559 -8.055 1.00 0.00 C ATOM 0 H ALA A 10 -8.060 -10.566 -9.267 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.489 -11.065 -6.463 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.228 -13.369 -7.405 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.647 -12.575 -8.129 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.127 -12.689 -9.047 1.00 0.00 H new ATOM 148 N GLU A 11 -4.908 -11.307 -8.491 1.00 0.00 N ATOM 149 CA GLU A 11 -3.418 -11.254 -8.469 1.00 0.00 C ATOM 150 C GLU A 11 -2.946 -10.001 -7.729 1.00 0.00 C ATOM 151 O GLU A 11 -1.912 -9.998 -7.089 1.00 0.00 O ATOM 152 CB GLU A 11 -3.002 -11.198 -9.940 1.00 0.00 C ATOM 153 CG GLU A 11 -2.569 -12.592 -10.401 1.00 0.00 C ATOM 154 CD GLU A 11 -3.737 -13.282 -11.106 1.00 0.00 C ATOM 155 OE1 GLU A 11 -3.917 -13.040 -12.289 1.00 0.00 O ATOM 156 OE2 GLU A 11 -4.434 -14.042 -10.453 1.00 0.00 O ATOM 0 H GLU A 11 -5.324 -11.464 -9.409 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.981 -12.110 -7.955 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.832 -10.843 -10.551 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.184 -10.490 -10.071 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.717 -12.515 -11.077 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.245 -13.185 -9.546 1.00 0.00 H new ATOM 163 N PHE A 12 -3.695 -8.935 -7.809 1.00 0.00 N ATOM 164 CA PHE A 12 -3.289 -7.684 -7.109 1.00 0.00 C ATOM 165 C PHE A 12 -3.323 -7.895 -5.593 1.00 0.00 C ATOM 166 O PHE A 12 -2.376 -7.594 -4.893 1.00 0.00 O ATOM 167 CB PHE A 12 -4.325 -6.640 -7.527 1.00 0.00 C ATOM 168 CG PHE A 12 -3.970 -6.094 -8.889 1.00 0.00 C ATOM 169 CD1 PHE A 12 -3.763 -6.970 -9.962 1.00 0.00 C ATOM 170 CD2 PHE A 12 -3.847 -4.713 -9.079 1.00 0.00 C ATOM 171 CE1 PHE A 12 -3.434 -6.463 -11.225 1.00 0.00 C ATOM 172 CE2 PHE A 12 -3.517 -4.206 -10.342 1.00 0.00 C ATOM 173 CZ PHE A 12 -3.311 -5.081 -11.415 1.00 0.00 C ATOM 0 H PHE A 12 -4.571 -8.877 -8.329 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.275 -7.377 -7.367 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -5.319 -7.088 -7.551 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.357 -5.832 -6.797 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.857 -8.036 -9.815 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.007 -4.038 -8.251 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.275 -7.138 -12.053 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.421 -3.140 -10.488 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.057 -4.690 -12.389 1.00 0.00 H new ATOM 183 N LYS A 13 -4.406 -8.411 -5.080 1.00 0.00 N ATOM 184 CA LYS A 13 -4.497 -8.643 -3.610 1.00 0.00 C ATOM 185 C LYS A 13 -3.301 -9.470 -3.134 1.00 0.00 C ATOM 186 O LYS A 13 -2.589 -9.083 -2.229 1.00 0.00 O ATOM 187 CB LYS A 13 -5.801 -9.419 -3.411 1.00 0.00 C ATOM 188 CG LYS A 13 -6.368 -9.117 -2.024 1.00 0.00 C ATOM 189 CD LYS A 13 -7.798 -9.653 -1.929 1.00 0.00 C ATOM 190 CE LYS A 13 -8.386 -9.301 -0.561 1.00 0.00 C ATOM 191 NZ LYS A 13 -9.821 -9.001 -0.825 1.00 0.00 N ATOM 0 H LYS A 13 -5.231 -8.682 -5.614 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.487 -7.713 -3.042 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.523 -9.141 -4.179 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.620 -10.489 -3.516 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.745 -9.576 -1.257 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.358 -8.042 -1.842 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.412 -9.224 -2.721 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.803 -10.734 -2.071 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.278 -10.129 0.140 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.878 -8.443 -0.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.293 -8.750 0.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.893 -8.205 -1.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.281 -9.838 -1.237 1.00 0.00 H new ATOM 205 N GLU A 14 -3.072 -10.604 -3.739 1.00 0.00 N ATOM 206 CA GLU A 14 -1.918 -11.450 -3.322 1.00 0.00 C ATOM 207 C GLU A 14 -0.637 -10.613 -3.298 1.00 0.00 C ATOM 208 O GLU A 14 0.195 -10.758 -2.425 1.00 0.00 O ATOM 209 CB GLU A 14 -1.825 -12.546 -4.383 1.00 0.00 C ATOM 210 CG GLU A 14 -2.656 -13.754 -3.945 1.00 0.00 C ATOM 211 CD GLU A 14 -3.175 -14.492 -5.180 1.00 0.00 C ATOM 212 OE1 GLU A 14 -2.357 -15.020 -5.918 1.00 0.00 O ATOM 213 OE2 GLU A 14 -4.380 -14.517 -5.369 1.00 0.00 O ATOM 0 H GLU A 14 -3.633 -10.981 -4.503 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.047 -11.865 -2.322 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.186 -12.171 -5.341 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.785 -12.840 -4.527 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.049 -14.424 -3.336 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.491 -13.428 -3.325 1.00 0.00 H new ATOM 220 N ALA A 15 -0.476 -9.736 -4.251 1.00 0.00 N ATOM 221 CA ALA A 15 0.749 -8.887 -4.283 1.00 0.00 C ATOM 222 C ALA A 15 0.703 -7.854 -3.154 1.00 0.00 C ATOM 223 O ALA A 15 1.452 -7.929 -2.200 1.00 0.00 O ATOM 224 CB ALA A 15 0.713 -8.193 -5.645 1.00 0.00 C ATOM 0 H ALA A 15 -1.139 -9.571 -5.008 1.00 0.00 H new ATOM 0 HA ALA A 15 1.660 -9.469 -4.146 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.585 -7.547 -5.747 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.722 -8.943 -6.436 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.194 -7.594 -5.724 1.00 0.00 H new ATOM 230 N PHE A 16 -0.174 -6.894 -3.255 1.00 0.00 N ATOM 231 CA PHE A 16 -0.274 -5.856 -2.189 1.00 0.00 C ATOM 232 C PHE A 16 -0.165 -6.502 -0.804 1.00 0.00 C ATOM 233 O PHE A 16 0.595 -6.067 0.037 1.00 0.00 O ATOM 234 CB PHE A 16 -1.656 -5.232 -2.382 1.00 0.00 C ATOM 235 CG PHE A 16 -1.842 -4.099 -1.403 1.00 0.00 C ATOM 236 CD1 PHE A 16 -1.431 -2.804 -1.742 1.00 0.00 C ATOM 237 CD2 PHE A 16 -2.427 -4.342 -0.155 1.00 0.00 C ATOM 238 CE1 PHE A 16 -1.606 -1.753 -0.832 1.00 0.00 C ATOM 239 CE2 PHE A 16 -2.602 -3.293 0.754 1.00 0.00 C ATOM 240 CZ PHE A 16 -2.191 -1.998 0.415 1.00 0.00 C ATOM 0 H PHE A 16 -0.827 -6.783 -4.031 1.00 0.00 H new ATOM 0 HA PHE A 16 0.524 -5.117 -2.255 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.761 -4.865 -3.403 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.430 -5.985 -2.233 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.979 -2.615 -2.705 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.744 -5.341 0.107 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.289 -0.754 -1.093 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.054 -3.482 1.717 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.326 -1.188 1.117 1.00 0.00 H new ATOM 250 N ALA A 17 -0.920 -7.539 -0.563 1.00 0.00 N ATOM 251 CA ALA A 17 -0.861 -8.212 0.767 1.00 0.00 C ATOM 252 C ALA A 17 0.480 -8.931 0.943 1.00 0.00 C ATOM 253 O ALA A 17 0.921 -9.178 2.048 1.00 0.00 O ATOM 254 CB ALA A 17 -2.011 -9.219 0.752 1.00 0.00 C ATOM 0 H ALA A 17 -1.575 -7.949 -1.229 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.949 -7.503 1.590 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.036 -9.757 1.699 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.954 -8.692 0.610 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.864 -9.927 -0.064 1.00 0.00 H new ATOM 260 N LEU A 18 1.131 -9.270 -0.135 1.00 0.00 N ATOM 261 CA LEU A 18 2.442 -9.974 -0.023 1.00 0.00 C ATOM 262 C LEU A 18 3.447 -9.104 0.736 1.00 0.00 C ATOM 263 O LEU A 18 4.424 -9.591 1.270 1.00 0.00 O ATOM 264 CB LEU A 18 2.901 -10.194 -1.465 1.00 0.00 C ATOM 265 CG LEU A 18 3.265 -11.666 -1.665 1.00 0.00 C ATOM 266 CD1 LEU A 18 3.474 -11.942 -3.155 1.00 0.00 C ATOM 267 CD2 LEU A 18 4.556 -11.979 -0.904 1.00 0.00 C ATOM 0 H LEU A 18 0.814 -9.091 -1.088 1.00 0.00 H new ATOM 0 HA LEU A 18 2.360 -10.913 0.524 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.110 -9.907 -2.158 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.762 -9.562 -1.684 1.00 0.00 H new ATOM 0 HG LEU A 18 2.458 -12.294 -1.288 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.733 -12.991 -3.298 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.556 -11.718 -3.699 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.281 -11.314 -3.532 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.817 -13.028 -1.046 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.362 -11.350 -1.282 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.409 -11.782 0.158 1.00 0.00 H new ATOM 279 N PHE A 19 3.217 -7.820 0.789 1.00 0.00 N ATOM 280 CA PHE A 19 4.163 -6.924 1.516 1.00 0.00 C ATOM 281 C PHE A 19 3.430 -6.178 2.635 1.00 0.00 C ATOM 282 O PHE A 19 4.016 -5.404 3.365 1.00 0.00 O ATOM 283 CB PHE A 19 4.673 -5.940 0.462 1.00 0.00 C ATOM 284 CG PHE A 19 5.046 -6.692 -0.793 1.00 0.00 C ATOM 285 CD1 PHE A 19 4.063 -7.005 -1.739 1.00 0.00 C ATOM 286 CD2 PHE A 19 6.374 -7.076 -1.013 1.00 0.00 C ATOM 287 CE1 PHE A 19 4.407 -7.701 -2.903 1.00 0.00 C ATOM 288 CE2 PHE A 19 6.719 -7.772 -2.178 1.00 0.00 C ATOM 289 CZ PHE A 19 5.735 -8.085 -3.123 1.00 0.00 C ATOM 0 H PHE A 19 2.417 -7.353 0.362 1.00 0.00 H new ATOM 0 HA PHE A 19 4.978 -7.478 1.982 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.905 -5.199 0.240 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.538 -5.398 0.844 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.038 -6.709 -1.570 1.00 0.00 H new ATOM 0 HD2 PHE A 19 7.133 -6.835 -0.284 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.648 -7.942 -3.632 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.744 -8.067 -2.347 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.000 -8.622 -4.021 1.00 0.00 H new ATOM 299 N ASP A 20 2.152 -6.405 2.773 1.00 0.00 N ATOM 300 CA ASP A 20 1.383 -5.707 3.844 1.00 0.00 C ATOM 301 C ASP A 20 1.900 -6.123 5.224 1.00 0.00 C ATOM 302 O ASP A 20 1.431 -7.079 5.810 1.00 0.00 O ATOM 303 CB ASP A 20 -0.063 -6.162 3.654 1.00 0.00 C ATOM 304 CG ASP A 20 -0.876 -5.822 4.904 1.00 0.00 C ATOM 305 OD1 ASP A 20 -1.290 -4.679 5.025 1.00 0.00 O ATOM 306 OD2 ASP A 20 -1.073 -6.707 5.719 1.00 0.00 O ATOM 0 H ASP A 20 1.607 -7.042 2.192 1.00 0.00 H new ATOM 0 HA ASP A 20 1.481 -4.623 3.782 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.497 -5.673 2.782 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.096 -7.235 3.467 1.00 0.00 H new ATOM 311 N LYS A 21 2.862 -5.414 5.747 1.00 0.00 N ATOM 312 CA LYS A 21 3.407 -5.770 7.088 1.00 0.00 C ATOM 313 C LYS A 21 2.337 -5.568 8.165 1.00 0.00 C ATOM 314 O LYS A 21 2.274 -6.296 9.135 1.00 0.00 O ATOM 315 CB LYS A 21 4.577 -4.811 7.308 1.00 0.00 C ATOM 316 CG LYS A 21 5.149 -5.015 8.711 1.00 0.00 C ATOM 317 CD LYS A 21 4.946 -3.743 9.537 1.00 0.00 C ATOM 318 CE LYS A 21 6.091 -2.766 9.259 1.00 0.00 C ATOM 319 NZ LYS A 21 5.427 -1.517 8.792 1.00 0.00 N ATOM 0 H LYS A 21 3.295 -4.603 5.304 1.00 0.00 H new ATOM 0 HA LYS A 21 3.719 -6.813 7.143 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.350 -4.986 6.560 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.244 -3.780 7.186 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.657 -5.858 9.196 1.00 0.00 H new ATOM 0 HG3 LYS A 21 6.210 -5.256 8.651 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.991 -3.282 9.285 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.912 -3.988 10.599 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.683 -2.586 10.156 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.770 -3.159 8.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.148 -0.798 8.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.876 -1.717 7.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.792 -1.162 9.536 1.00 0.00 H new ATOM 333 N ASP A 22 1.496 -4.585 8.000 1.00 0.00 N ATOM 334 CA ASP A 22 0.430 -4.337 9.013 1.00 0.00 C ATOM 335 C ASP A 22 -0.512 -5.541 9.097 1.00 0.00 C ATOM 336 O ASP A 22 -1.294 -5.667 10.018 1.00 0.00 O ATOM 337 CB ASP A 22 -0.319 -3.104 8.507 1.00 0.00 C ATOM 338 CG ASP A 22 0.595 -1.880 8.593 1.00 0.00 C ATOM 339 OD1 ASP A 22 1.373 -1.682 7.674 1.00 0.00 O ATOM 340 OD2 ASP A 22 0.501 -1.162 9.575 1.00 0.00 O ATOM 0 H ASP A 22 1.500 -3.942 7.208 1.00 0.00 H new ATOM 0 HA ASP A 22 0.838 -4.184 10.012 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.641 -3.259 7.477 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.218 -2.942 9.102 1.00 0.00 H new ATOM 345 N ASN A 23 -0.443 -6.427 8.141 1.00 0.00 N ATOM 346 CA ASN A 23 -1.335 -7.622 8.166 1.00 0.00 C ATOM 347 C ASN A 23 -2.796 -7.189 8.312 1.00 0.00 C ATOM 348 O ASN A 23 -3.603 -7.880 8.903 1.00 0.00 O ATOM 349 CB ASN A 23 -0.888 -8.423 9.389 1.00 0.00 C ATOM 350 CG ASN A 23 -1.029 -9.919 9.100 1.00 0.00 C ATOM 351 OD1 ASN A 23 -2.055 -10.364 8.626 1.00 0.00 O ATOM 352 ND2 ASN A 23 -0.033 -10.719 9.366 1.00 0.00 N ATOM 0 H ASN A 23 0.192 -6.375 7.344 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.268 -8.207 7.249 1.00 0.00 H new ATOM 0 HB2 ASN A 23 0.147 -8.185 9.634 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.491 -8.151 10.255 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.116 -11.718 9.176 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.829 -10.346 9.764 1.00 0.00 H new ATOM 359 N ASN A 24 -3.144 -6.050 7.777 1.00 0.00 N ATOM 360 CA ASN A 24 -4.553 -5.575 7.886 1.00 0.00 C ATOM 361 C ASN A 24 -5.069 -5.132 6.514 1.00 0.00 C ATOM 362 O ASN A 24 -6.174 -4.646 6.384 1.00 0.00 O ATOM 363 CB ASN A 24 -4.498 -4.388 8.848 1.00 0.00 C ATOM 364 CG ASN A 24 -3.422 -3.404 8.386 1.00 0.00 C ATOM 365 OD1 ASN A 24 -2.683 -3.684 7.462 1.00 0.00 O ATOM 366 ND2 ASN A 24 -3.300 -2.255 8.993 1.00 0.00 N ATOM 0 H ASN A 24 -2.514 -5.428 7.270 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.226 -6.356 8.241 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -5.468 -3.892 8.885 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.279 -4.735 9.858 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.585 -1.593 8.692 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.920 -2.019 9.768 1.00 0.00 H new ATOM 373 N GLY A 25 -4.277 -5.296 5.490 1.00 0.00 N ATOM 374 CA GLY A 25 -4.724 -4.884 4.129 1.00 0.00 C ATOM 375 C GLY A 25 -4.138 -3.514 3.790 1.00 0.00 C ATOM 376 O GLY A 25 -4.641 -2.806 2.939 1.00 0.00 O ATOM 0 H GLY A 25 -3.340 -5.697 5.537 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.404 -5.620 3.392 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.813 -4.845 4.089 1.00 0.00 H new ATOM 380 N SER A 26 -3.078 -3.131 4.446 1.00 0.00 N ATOM 381 CA SER A 26 -2.461 -1.805 4.158 1.00 0.00 C ATOM 382 C SER A 26 -0.936 -1.933 4.094 1.00 0.00 C ATOM 383 O SER A 26 -0.319 -2.541 4.945 1.00 0.00 O ATOM 384 CB SER A 26 -2.875 -0.912 5.327 1.00 0.00 C ATOM 385 OG SER A 26 -2.511 -1.540 6.549 1.00 0.00 O ATOM 0 H SER A 26 -2.612 -3.679 5.169 1.00 0.00 H new ATOM 0 HA SER A 26 -2.786 -1.399 3.200 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.390 0.061 5.246 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.950 -0.735 5.302 1.00 0.00 H new ATOM 0 HG SER A 26 -2.579 -2.513 6.450 1.00 0.00 H new ATOM 391 N ILE A 27 -0.325 -1.367 3.091 1.00 0.00 N ATOM 392 CA ILE A 27 1.158 -1.458 2.973 1.00 0.00 C ATOM 393 C ILE A 27 1.773 -0.057 2.927 1.00 0.00 C ATOM 394 O ILE A 27 1.088 0.927 2.730 1.00 0.00 O ATOM 395 CB ILE A 27 1.406 -2.195 1.655 1.00 0.00 C ATOM 396 CG1 ILE A 27 1.119 -1.255 0.482 1.00 0.00 C ATOM 397 CG2 ILE A 27 0.484 -3.412 1.569 1.00 0.00 C ATOM 398 CD1 ILE A 27 1.342 -1.997 -0.837 1.00 0.00 C ATOM 0 H ILE A 27 -0.788 -0.845 2.347 1.00 0.00 H new ATOM 0 HA ILE A 27 1.608 -1.974 3.821 1.00 0.00 H new ATOM 0 HB ILE A 27 2.445 -2.522 1.613 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.093 -0.891 0.537 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.770 -0.382 0.535 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.661 -3.937 0.630 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.688 -4.083 2.404 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.555 -3.085 1.612 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.137 -1.326 -1.671 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.376 -2.339 -0.892 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.672 -2.856 -0.889 1.00 0.00 H new ATOM 410 N SER A 28 3.063 0.041 3.102 1.00 0.00 N ATOM 411 CA SER A 28 3.720 1.377 3.061 1.00 0.00 C ATOM 412 C SER A 28 4.089 1.736 1.620 1.00 0.00 C ATOM 413 O SER A 28 4.312 0.872 0.795 1.00 0.00 O ATOM 414 CB SER A 28 4.978 1.226 3.916 1.00 0.00 C ATOM 415 OG SER A 28 5.033 2.286 4.863 1.00 0.00 O ATOM 0 H SER A 28 3.689 -0.746 3.271 1.00 0.00 H new ATOM 0 HA SER A 28 3.071 2.170 3.431 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.969 0.264 4.429 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.866 1.242 3.283 1.00 0.00 H new ATOM 0 HG SER A 28 5.348 1.940 5.724 1.00 0.00 H new ATOM 421 N SER A 29 4.151 3.000 1.308 1.00 0.00 N ATOM 422 CA SER A 29 4.503 3.407 -0.083 1.00 0.00 C ATOM 423 C SER A 29 5.696 2.589 -0.587 1.00 0.00 C ATOM 424 O SER A 29 5.684 2.069 -1.685 1.00 0.00 O ATOM 425 CB SER A 29 4.871 4.886 0.016 1.00 0.00 C ATOM 426 OG SER A 29 6.019 5.139 -0.782 1.00 0.00 O ATOM 0 H SER A 29 3.974 3.769 1.954 1.00 0.00 H new ATOM 0 HA SER A 29 3.684 3.238 -0.782 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.038 5.503 -0.320 1.00 0.00 H new ATOM 0 HB3 SER A 29 5.069 5.155 1.054 1.00 0.00 H new ATOM 0 HG SER A 29 5.775 5.091 -1.730 1.00 0.00 H new ATOM 432 N SER A 30 6.724 2.470 0.207 1.00 0.00 N ATOM 433 CA SER A 30 7.915 1.685 -0.227 1.00 0.00 C ATOM 434 C SER A 30 7.487 0.289 -0.687 1.00 0.00 C ATOM 435 O SER A 30 8.086 -0.297 -1.566 1.00 0.00 O ATOM 436 CB SER A 30 8.803 1.594 1.011 1.00 0.00 C ATOM 437 OG SER A 30 10.111 1.194 0.623 1.00 0.00 O ATOM 0 H SER A 30 6.791 2.882 1.138 1.00 0.00 H new ATOM 0 HA SER A 30 8.434 2.150 -1.065 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.841 2.559 1.517 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.387 0.878 1.720 1.00 0.00 H new ATOM 0 HG SER A 30 10.684 1.136 1.416 1.00 0.00 H new ATOM 443 N GLU A 31 6.454 -0.248 -0.097 1.00 0.00 N ATOM 444 CA GLU A 31 5.987 -1.606 -0.499 1.00 0.00 C ATOM 445 C GLU A 31 5.121 -1.517 -1.759 1.00 0.00 C ATOM 446 O GLU A 31 5.129 -2.400 -2.594 1.00 0.00 O ATOM 447 CB GLU A 31 5.161 -2.108 0.684 1.00 0.00 C ATOM 448 CG GLU A 31 5.982 -1.986 1.970 1.00 0.00 C ATOM 449 CD GLU A 31 5.251 -2.689 3.114 1.00 0.00 C ATOM 450 OE1 GLU A 31 4.118 -2.322 3.380 1.00 0.00 O ATOM 451 OE2 GLU A 31 5.835 -3.583 3.704 1.00 0.00 O ATOM 0 H GLU A 31 5.913 0.195 0.646 1.00 0.00 H new ATOM 0 HA GLU A 31 6.816 -2.275 -0.730 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.242 -1.529 0.771 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.870 -3.146 0.523 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.967 -2.430 1.828 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.138 -0.936 2.216 1.00 0.00 H new ATOM 458 N LEU A 32 4.375 -0.455 -1.903 1.00 0.00 N ATOM 459 CA LEU A 32 3.511 -0.313 -3.111 1.00 0.00 C ATOM 460 C LEU A 32 4.364 -0.385 -4.379 1.00 0.00 C ATOM 461 O LEU A 32 3.946 -0.914 -5.390 1.00 0.00 O ATOM 462 CB LEU A 32 2.862 1.065 -2.977 1.00 0.00 C ATOM 463 CG LEU A 32 2.115 1.403 -4.268 1.00 0.00 C ATOM 464 CD1 LEU A 32 1.133 0.278 -4.597 1.00 0.00 C ATOM 465 CD2 LEU A 32 1.345 2.713 -4.082 1.00 0.00 C ATOM 0 H LEU A 32 4.326 0.318 -1.239 1.00 0.00 H new ATOM 0 HA LEU A 32 2.767 -1.106 -3.183 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.173 1.074 -2.132 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.623 1.819 -2.776 1.00 0.00 H new ATOM 0 HG LEU A 32 2.829 1.513 -5.084 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.600 0.518 -5.517 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.680 -0.656 -4.727 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.418 0.169 -3.781 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.812 2.955 -5.001 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.630 2.602 -3.267 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.044 3.515 -3.845 1.00 0.00 H new ATOM 477 N ALA A 33 5.558 0.139 -4.334 1.00 0.00 N ATOM 478 CA ALA A 33 6.435 0.093 -5.538 1.00 0.00 C ATOM 479 C ALA A 33 6.680 -1.361 -5.945 1.00 0.00 C ATOM 480 O ALA A 33 6.590 -1.717 -7.104 1.00 0.00 O ATOM 481 CB ALA A 33 7.742 0.759 -5.105 1.00 0.00 C ATOM 0 H ALA A 33 5.964 0.596 -3.517 1.00 0.00 H new ATOM 0 HA ALA A 33 5.991 0.597 -6.397 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.442 0.764 -5.940 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.542 1.784 -4.793 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.175 0.204 -4.272 1.00 0.00 H new ATOM 487 N THR A 34 6.985 -2.206 -4.998 1.00 0.00 N ATOM 488 CA THR A 34 7.230 -3.638 -5.330 1.00 0.00 C ATOM 489 C THR A 34 5.964 -4.259 -5.925 1.00 0.00 C ATOM 490 O THR A 34 5.936 -4.652 -7.074 1.00 0.00 O ATOM 491 CB THR A 34 7.578 -4.304 -3.998 1.00 0.00 C ATOM 492 OG1 THR A 34 8.862 -3.870 -3.574 1.00 0.00 O ATOM 493 CG2 THR A 34 7.581 -5.821 -4.176 1.00 0.00 C ATOM 0 H THR A 34 7.075 -1.967 -4.010 1.00 0.00 H new ATOM 0 HA THR A 34 8.026 -3.763 -6.064 1.00 0.00 H new ATOM 0 HB THR A 34 6.838 -4.029 -3.247 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.085 -4.295 -2.720 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.829 -6.298 -3.228 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.594 -6.151 -4.501 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.322 -6.098 -4.926 1.00 0.00 H new ATOM 501 N VAL A 35 4.913 -4.346 -5.151 1.00 0.00 N ATOM 502 CA VAL A 35 3.649 -4.935 -5.678 1.00 0.00 C ATOM 503 C VAL A 35 3.377 -4.399 -7.086 1.00 0.00 C ATOM 504 O VAL A 35 2.872 -5.096 -7.946 1.00 0.00 O ATOM 505 CB VAL A 35 2.560 -4.471 -4.710 1.00 0.00 C ATOM 506 CG1 VAL A 35 2.838 -5.037 -3.318 1.00 0.00 C ATOM 507 CG2 VAL A 35 2.554 -2.943 -4.644 1.00 0.00 C ATOM 0 H VAL A 35 4.877 -4.035 -4.180 1.00 0.00 H new ATOM 0 HA VAL A 35 3.692 -6.022 -5.747 1.00 0.00 H new ATOM 0 HB VAL A 35 1.590 -4.825 -5.060 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.061 -4.706 -2.629 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.843 -6.126 -3.362 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.808 -4.683 -2.969 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.778 -2.612 -3.954 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.524 -2.590 -4.295 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.355 -2.537 -5.636 1.00 0.00 H new ATOM 517 N MET A 36 3.711 -3.159 -7.325 1.00 0.00 N ATOM 518 CA MET A 36 3.477 -2.560 -8.670 1.00 0.00 C ATOM 519 C MET A 36 4.207 -3.365 -9.749 1.00 0.00 C ATOM 520 O MET A 36 3.598 -3.915 -10.644 1.00 0.00 O ATOM 521 CB MET A 36 4.052 -1.146 -8.572 1.00 0.00 C ATOM 522 CG MET A 36 3.584 -0.316 -9.769 1.00 0.00 C ATOM 523 SD MET A 36 1.775 -0.272 -9.805 1.00 0.00 S ATOM 524 CE MET A 36 1.585 1.505 -9.519 1.00 0.00 C ATOM 0 H MET A 36 4.138 -2.533 -6.643 1.00 0.00 H new ATOM 0 HA MET A 36 2.422 -2.557 -8.943 1.00 0.00 H new ATOM 0 HB2 MET A 36 3.730 -0.676 -7.643 1.00 0.00 H new ATOM 0 HB3 MET A 36 5.141 -1.186 -8.548 1.00 0.00 H new ATOM 0 HG2 MET A 36 3.981 0.697 -9.700 1.00 0.00 H new ATOM 0 HG3 MET A 36 3.966 -0.746 -10.695 1.00 0.00 H new ATOM 0 HE1 MET A 36 0.561 1.803 -9.747 1.00 0.00 H new ATOM 0 HE2 MET A 36 1.805 1.731 -8.476 1.00 0.00 H new ATOM 0 HE3 MET A 36 2.274 2.053 -10.162 1.00 0.00 H new ATOM 534 N ARG A 37 5.509 -3.436 -9.674 1.00 0.00 N ATOM 535 CA ARG A 37 6.272 -4.204 -10.702 1.00 0.00 C ATOM 536 C ARG A 37 6.048 -5.709 -10.518 1.00 0.00 C ATOM 537 O ARG A 37 6.322 -6.498 -11.401 1.00 0.00 O ATOM 538 CB ARG A 37 7.738 -3.847 -10.453 1.00 0.00 C ATOM 539 CG ARG A 37 8.560 -4.157 -11.705 1.00 0.00 C ATOM 540 CD ARG A 37 10.032 -4.328 -11.322 1.00 0.00 C ATOM 541 NE ARG A 37 10.055 -5.501 -10.404 1.00 0.00 N ATOM 542 CZ ARG A 37 10.530 -5.373 -9.195 1.00 0.00 C ATOM 543 NH1 ARG A 37 11.637 -4.713 -8.995 1.00 0.00 N ATOM 544 NH2 ARG A 37 9.897 -5.907 -8.187 1.00 0.00 N ATOM 0 H ARG A 37 6.076 -2.997 -8.948 1.00 0.00 H new ATOM 0 HA ARG A 37 5.957 -3.960 -11.717 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.828 -2.791 -10.199 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.122 -4.413 -9.604 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.189 -5.065 -12.180 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.454 -3.351 -12.431 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.651 -4.502 -12.202 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.419 -3.435 -10.832 1.00 0.00 H new ATOM 0 HE ARG A 37 9.700 -6.403 -10.720 1.00 0.00 H new ATOM 0 HH11 ARG A 37 12.132 -4.297 -9.784 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.008 -4.613 -8.050 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.032 -6.424 -8.344 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.267 -5.808 -7.242 1.00 0.00 H new ATOM 558 N SER A 38 5.555 -6.114 -9.379 1.00 0.00 N ATOM 559 CA SER A 38 5.319 -7.566 -9.142 1.00 0.00 C ATOM 560 C SER A 38 4.156 -8.066 -10.003 1.00 0.00 C ATOM 561 O SER A 38 4.136 -9.200 -10.436 1.00 0.00 O ATOM 562 CB SER A 38 4.971 -7.674 -7.659 1.00 0.00 C ATOM 563 OG SER A 38 6.041 -8.309 -6.970 1.00 0.00 O ATOM 0 H SER A 38 5.306 -5.502 -8.602 1.00 0.00 H new ATOM 0 HA SER A 38 6.187 -8.171 -9.404 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.793 -6.683 -7.242 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.051 -8.244 -7.530 1.00 0.00 H new ATOM 0 HG SER A 38 5.821 -8.378 -6.017 1.00 0.00 H new ATOM 569 N LEU A 39 3.187 -7.230 -10.253 1.00 0.00 N ATOM 570 CA LEU A 39 2.029 -7.667 -11.086 1.00 0.00 C ATOM 571 C LEU A 39 2.499 -8.012 -12.502 1.00 0.00 C ATOM 572 O LEU A 39 1.924 -8.847 -13.170 1.00 0.00 O ATOM 573 CB LEU A 39 1.074 -6.471 -11.114 1.00 0.00 C ATOM 574 CG LEU A 39 0.266 -6.425 -9.814 1.00 0.00 C ATOM 575 CD1 LEU A 39 -0.822 -5.356 -9.929 1.00 0.00 C ATOM 576 CD2 LEU A 39 -0.388 -7.786 -9.568 1.00 0.00 C ATOM 0 H LEU A 39 3.145 -6.267 -9.919 1.00 0.00 H new ATOM 0 HA LEU A 39 1.547 -8.558 -10.682 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.638 -5.546 -11.236 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.402 -6.550 -11.969 1.00 0.00 H new ATOM 0 HG LEU A 39 0.931 -6.185 -8.984 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.398 -5.322 -9.004 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.360 -4.384 -10.105 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.484 -5.599 -10.760 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.963 -7.752 -8.642 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.052 -8.026 -10.399 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.384 -8.551 -9.488 1.00 0.00 H new ATOM 588 N GLY A 40 3.544 -7.379 -12.964 1.00 0.00 N ATOM 589 CA GLY A 40 4.047 -7.679 -14.334 1.00 0.00 C ATOM 590 C GLY A 40 4.270 -6.374 -15.101 1.00 0.00 C ATOM 591 O GLY A 40 4.081 -6.308 -16.300 1.00 0.00 O ATOM 0 H GLY A 40 4.069 -6.669 -12.453 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.979 -8.240 -14.274 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.331 -8.306 -14.865 1.00 0.00 H new ATOM 595 N LEU A 41 4.675 -5.334 -14.424 1.00 0.00 N ATOM 596 CA LEU A 41 4.910 -4.038 -15.122 1.00 0.00 C ATOM 597 C LEU A 41 6.240 -3.428 -14.670 1.00 0.00 C ATOM 598 O LEU A 41 6.933 -3.975 -13.835 1.00 0.00 O ATOM 599 CB LEU A 41 3.740 -3.142 -14.713 1.00 0.00 C ATOM 600 CG LEU A 41 3.487 -3.280 -13.211 1.00 0.00 C ATOM 601 CD1 LEU A 41 3.257 -1.896 -12.603 1.00 0.00 C ATOM 602 CD2 LEU A 41 2.248 -4.148 -12.982 1.00 0.00 C ATOM 0 H LEU A 41 4.853 -5.326 -13.420 1.00 0.00 H new ATOM 0 HA LEU A 41 4.967 -4.158 -16.204 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.960 -2.104 -14.961 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.845 -3.419 -15.270 1.00 0.00 H new ATOM 0 HG LEU A 41 4.352 -3.746 -12.738 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.077 -1.994 -11.533 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.138 -1.276 -12.767 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.392 -1.430 -13.075 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.066 -4.247 -11.912 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.384 -3.681 -13.455 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.410 -5.135 -13.416 1.00 0.00 H new ATOM 614 N SER A 42 6.601 -2.298 -15.215 1.00 0.00 N ATOM 615 CA SER A 42 7.885 -1.654 -14.817 1.00 0.00 C ATOM 616 C SER A 42 7.920 -0.202 -15.298 1.00 0.00 C ATOM 617 O SER A 42 8.416 0.088 -16.368 1.00 0.00 O ATOM 618 CB SER A 42 8.971 -2.475 -15.512 1.00 0.00 C ATOM 619 OG SER A 42 9.921 -2.910 -14.547 1.00 0.00 O ATOM 0 H SER A 42 6.062 -1.793 -15.919 1.00 0.00 H new ATOM 0 HA SER A 42 8.019 -1.633 -13.735 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.527 -3.334 -16.015 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.462 -1.875 -16.278 1.00 0.00 H new ATOM 0 HG SER A 42 10.618 -3.438 -14.989 1.00 0.00 H new ATOM 625 N PRO A 43 7.389 0.665 -14.480 1.00 0.00 N ATOM 626 CA PRO A 43 7.353 2.111 -14.816 1.00 0.00 C ATOM 627 C PRO A 43 8.757 2.715 -14.729 1.00 0.00 C ATOM 628 O PRO A 43 9.749 2.015 -14.792 1.00 0.00 O ATOM 629 CB PRO A 43 6.435 2.702 -13.749 1.00 0.00 C ATOM 630 CG PRO A 43 6.519 1.751 -12.598 1.00 0.00 C ATOM 631 CD PRO A 43 6.776 0.385 -13.177 1.00 0.00 C ATOM 0 HA PRO A 43 7.002 2.309 -15.829 1.00 0.00 H new ATOM 0 HB2 PRO A 43 6.758 3.702 -13.460 1.00 0.00 H new ATOM 0 HB3 PRO A 43 5.412 2.791 -14.114 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.320 2.039 -11.917 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.593 1.759 -12.023 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.440 -0.200 -12.541 1.00 0.00 H new ATOM 0 HD3 PRO A 43 5.853 -0.184 -13.284 1.00 0.00 H new ATOM 639 N SER A 44 8.851 4.009 -14.584 1.00 0.00 N ATOM 640 CA SER A 44 10.194 4.653 -14.495 1.00 0.00 C ATOM 641 C SER A 44 10.233 5.637 -13.324 1.00 0.00 C ATOM 642 O SER A 44 9.293 5.752 -12.564 1.00 0.00 O ATOM 643 CB SER A 44 10.367 5.391 -15.821 1.00 0.00 C ATOM 644 OG SER A 44 11.402 6.358 -15.688 1.00 0.00 O ATOM 0 H SER A 44 8.058 4.648 -14.523 1.00 0.00 H new ATOM 0 HA SER A 44 10.989 3.927 -14.325 1.00 0.00 H new ATOM 0 HB2 SER A 44 10.613 4.685 -16.614 1.00 0.00 H new ATOM 0 HB3 SER A 44 9.433 5.877 -16.105 1.00 0.00 H new ATOM 0 HG SER A 44 11.517 6.833 -16.538 1.00 0.00 H new ATOM 650 N GLU A 45 11.318 6.349 -13.173 1.00 0.00 N ATOM 651 CA GLU A 45 11.417 7.326 -12.052 1.00 0.00 C ATOM 652 C GLU A 45 10.264 8.331 -12.124 1.00 0.00 C ATOM 653 O GLU A 45 9.496 8.476 -11.194 1.00 0.00 O ATOM 654 CB GLU A 45 12.758 8.032 -12.259 1.00 0.00 C ATOM 655 CG GLU A 45 13.430 8.261 -10.904 1.00 0.00 C ATOM 656 CD GLU A 45 14.104 9.633 -10.893 1.00 0.00 C ATOM 657 OE1 GLU A 45 13.542 10.553 -11.467 1.00 0.00 O ATOM 658 OE2 GLU A 45 15.171 9.744 -10.311 1.00 0.00 O ATOM 0 H GLU A 45 12.138 6.296 -13.777 1.00 0.00 H new ATOM 0 HA GLU A 45 11.357 6.843 -11.076 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.403 7.430 -12.899 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.605 8.985 -12.766 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.691 8.201 -10.105 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.167 7.481 -10.715 1.00 0.00 H new ATOM 665 N ALA A 46 10.136 9.022 -13.223 1.00 0.00 N ATOM 666 CA ALA A 46 9.030 10.015 -13.351 1.00 0.00 C ATOM 667 C ALA A 46 7.705 9.378 -12.927 1.00 0.00 C ATOM 668 O ALA A 46 6.988 9.906 -12.099 1.00 0.00 O ATOM 669 CB ALA A 46 8.998 10.381 -14.835 1.00 0.00 C ATOM 0 H ALA A 46 10.747 8.943 -14.036 1.00 0.00 H new ATOM 0 HA ALA A 46 9.181 10.890 -12.719 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.208 11.110 -15.013 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.958 10.808 -15.125 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.806 9.486 -15.426 1.00 0.00 H new ATOM 675 N GLU A 47 7.376 8.244 -13.483 1.00 0.00 N ATOM 676 CA GLU A 47 6.100 7.573 -13.107 1.00 0.00 C ATOM 677 C GLU A 47 5.996 7.458 -11.585 1.00 0.00 C ATOM 678 O GLU A 47 4.939 7.622 -11.010 1.00 0.00 O ATOM 679 CB GLU A 47 6.180 6.185 -13.746 1.00 0.00 C ATOM 680 CG GLU A 47 4.821 5.819 -14.345 1.00 0.00 C ATOM 681 CD GLU A 47 4.999 5.428 -15.813 1.00 0.00 C ATOM 682 OE1 GLU A 47 6.131 5.231 -16.220 1.00 0.00 O ATOM 683 OE2 GLU A 47 3.999 5.334 -16.507 1.00 0.00 O ATOM 0 H GLU A 47 7.935 7.754 -14.181 1.00 0.00 H new ATOM 0 HA GLU A 47 5.224 8.127 -13.445 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.946 6.174 -14.522 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.471 5.446 -13.000 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.377 4.993 -13.789 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.136 6.663 -14.263 1.00 0.00 H new ATOM 690 N VAL A 48 7.090 7.180 -10.928 1.00 0.00 N ATOM 691 CA VAL A 48 7.056 7.058 -9.443 1.00 0.00 C ATOM 692 C VAL A 48 6.729 8.414 -8.811 1.00 0.00 C ATOM 693 O VAL A 48 5.816 8.536 -8.018 1.00 0.00 O ATOM 694 CB VAL A 48 8.463 6.609 -9.047 1.00 0.00 C ATOM 695 CG1 VAL A 48 8.451 6.098 -7.606 1.00 0.00 C ATOM 696 CG2 VAL A 48 8.922 5.486 -9.981 1.00 0.00 C ATOM 0 H VAL A 48 8.004 7.032 -11.355 1.00 0.00 H new ATOM 0 HA VAL A 48 6.295 6.355 -9.104 1.00 0.00 H new ATOM 0 HB VAL A 48 9.148 7.453 -9.127 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.454 5.778 -7.325 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.125 6.896 -6.940 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.765 5.255 -7.525 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.925 5.166 -9.699 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.236 4.643 -9.901 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.932 5.849 -11.009 1.00 0.00 H new ATOM 706 N ASN A 49 7.466 9.433 -9.159 1.00 0.00 N ATOM 707 CA ASN A 49 7.195 10.780 -8.580 1.00 0.00 C ATOM 708 C ASN A 49 5.689 11.052 -8.562 1.00 0.00 C ATOM 709 O ASN A 49 5.141 11.501 -7.576 1.00 0.00 O ATOM 710 CB ASN A 49 7.907 11.762 -9.511 1.00 0.00 C ATOM 711 CG ASN A 49 7.706 13.190 -9.000 1.00 0.00 C ATOM 712 OD1 ASN A 49 6.678 13.505 -8.435 1.00 0.00 O ATOM 713 ND2 ASN A 49 8.651 14.072 -9.176 1.00 0.00 N ATOM 0 H ASN A 49 8.243 9.392 -9.818 1.00 0.00 H new ATOM 0 HA ASN A 49 7.546 10.867 -7.552 1.00 0.00 H new ATOM 0 HB2 ASN A 49 8.971 11.528 -9.558 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.515 11.669 -10.524 1.00 0.00 H new ATOM 0 HD21 ASN A 49 8.527 15.027 -8.839 1.00 0.00 H new ATOM 0 HD22 ASN A 49 9.514 13.807 -9.651 1.00 0.00 H new ATOM 720 N ASP A 50 5.016 10.781 -9.647 1.00 0.00 N ATOM 721 CA ASP A 50 3.545 11.022 -9.692 1.00 0.00 C ATOM 722 C ASP A 50 2.804 9.890 -8.976 1.00 0.00 C ATOM 723 O ASP A 50 1.755 10.090 -8.397 1.00 0.00 O ATOM 724 CB ASP A 50 3.192 11.039 -11.179 1.00 0.00 C ATOM 725 CG ASP A 50 2.221 12.187 -11.461 1.00 0.00 C ATOM 726 OD1 ASP A 50 1.239 12.295 -10.744 1.00 0.00 O ATOM 727 OD2 ASP A 50 2.474 12.938 -12.389 1.00 0.00 O ATOM 0 H ASP A 50 5.421 10.403 -10.504 1.00 0.00 H new ATOM 0 HA ASP A 50 3.262 11.951 -9.196 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.096 11.158 -11.777 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.742 10.089 -11.468 1.00 0.00 H new ATOM 732 N LEU A 51 3.342 8.702 -9.011 1.00 0.00 N ATOM 733 CA LEU A 51 2.669 7.557 -8.332 1.00 0.00 C ATOM 734 C LEU A 51 2.433 7.884 -6.855 1.00 0.00 C ATOM 735 O LEU A 51 1.339 7.742 -6.345 1.00 0.00 O ATOM 736 CB LEU A 51 3.641 6.385 -8.473 1.00 0.00 C ATOM 737 CG LEU A 51 2.856 5.074 -8.527 1.00 0.00 C ATOM 738 CD1 LEU A 51 1.831 5.138 -9.662 1.00 0.00 C ATOM 739 CD2 LEU A 51 3.822 3.913 -8.781 1.00 0.00 C ATOM 0 H LEU A 51 4.218 8.474 -9.480 1.00 0.00 H new ATOM 0 HA LEU A 51 1.695 7.333 -8.768 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.238 6.501 -9.377 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.335 6.371 -7.632 1.00 0.00 H new ATOM 0 HG LEU A 51 2.340 4.921 -7.579 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.272 4.203 -9.700 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.144 5.965 -9.485 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.347 5.291 -10.610 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.264 2.977 -8.820 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.336 4.068 -9.729 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.554 3.866 -7.975 1.00 0.00 H new ATOM 751 N MET A 52 3.450 8.321 -6.165 1.00 0.00 N ATOM 752 CA MET A 52 3.283 8.656 -4.721 1.00 0.00 C ATOM 753 C MET A 52 2.533 9.982 -4.571 1.00 0.00 C ATOM 754 O MET A 52 1.583 10.087 -3.820 1.00 0.00 O ATOM 755 CB MET A 52 4.707 8.781 -4.176 1.00 0.00 C ATOM 756 CG MET A 52 5.463 7.474 -4.420 1.00 0.00 C ATOM 757 SD MET A 52 5.091 6.305 -3.089 1.00 0.00 S ATOM 758 CE MET A 52 3.814 5.366 -3.964 1.00 0.00 C ATOM 0 H MET A 52 4.389 8.461 -6.537 1.00 0.00 H new ATOM 0 HA MET A 52 2.707 7.902 -4.185 1.00 0.00 H new ATOM 0 HB2 MET A 52 5.223 9.608 -4.663 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.681 9.005 -3.110 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.176 7.050 -5.382 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.535 7.664 -4.462 1.00 0.00 H new ATOM 0 HE1 MET A 52 2.894 5.371 -3.380 1.00 0.00 H new ATOM 0 HE2 MET A 52 3.629 5.822 -4.936 1.00 0.00 H new ATOM 0 HE3 MET A 52 4.149 4.338 -4.103 1.00 0.00 H new ATOM 768 N ASN A 53 2.950 10.996 -5.280 1.00 0.00 N ATOM 769 CA ASN A 53 2.260 12.313 -5.176 1.00 0.00 C ATOM 770 C ASN A 53 0.745 12.128 -5.309 1.00 0.00 C ATOM 771 O ASN A 53 -0.031 12.954 -4.870 1.00 0.00 O ATOM 772 CB ASN A 53 2.804 13.138 -6.343 1.00 0.00 C ATOM 773 CG ASN A 53 4.053 13.899 -5.891 1.00 0.00 C ATOM 774 OD1 ASN A 53 4.863 13.376 -5.152 1.00 0.00 O ATOM 775 ND2 ASN A 53 4.243 15.121 -6.309 1.00 0.00 N ATOM 0 H ASN A 53 3.738 10.969 -5.926 1.00 0.00 H new ATOM 0 HA ASN A 53 2.438 12.798 -4.216 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.046 12.486 -7.182 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.045 13.838 -6.692 1.00 0.00 H new ATOM 0 HD21 ASN A 53 5.072 15.637 -6.015 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.562 15.559 -6.929 1.00 0.00 H new ATOM 782 N GLU A 54 0.320 11.051 -5.911 1.00 0.00 N ATOM 783 CA GLU A 54 -1.144 10.816 -6.072 1.00 0.00 C ATOM 784 C GLU A 54 -1.731 10.231 -4.785 1.00 0.00 C ATOM 785 O GLU A 54 -2.927 10.055 -4.660 1.00 0.00 O ATOM 786 CB GLU A 54 -1.259 9.812 -7.219 1.00 0.00 C ATOM 787 CG GLU A 54 -1.837 10.509 -8.453 1.00 0.00 C ATOM 788 CD GLU A 54 -3.354 10.635 -8.305 1.00 0.00 C ATOM 789 OE1 GLU A 54 -3.795 11.637 -7.766 1.00 0.00 O ATOM 790 OE2 GLU A 54 -4.048 9.727 -8.731 1.00 0.00 O ATOM 0 H GLU A 54 0.922 10.324 -6.298 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.690 11.736 -6.279 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.279 9.394 -7.450 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.899 8.980 -6.925 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.389 11.496 -8.569 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.595 9.941 -9.351 1.00 0.00 H new ATOM 797 N ILE A 55 -0.899 9.927 -3.825 1.00 0.00 N ATOM 798 CA ILE A 55 -1.411 9.354 -2.548 1.00 0.00 C ATOM 799 C ILE A 55 -0.477 9.719 -1.391 1.00 0.00 C ATOM 800 O ILE A 55 -0.913 10.143 -0.339 1.00 0.00 O ATOM 801 CB ILE A 55 -1.424 7.841 -2.770 1.00 0.00 C ATOM 802 CG1 ILE A 55 -1.728 7.136 -1.446 1.00 0.00 C ATOM 803 CG2 ILE A 55 -0.057 7.388 -3.286 1.00 0.00 C ATOM 804 CD1 ILE A 55 -1.763 5.623 -1.670 1.00 0.00 C ATOM 0 H ILE A 55 0.112 10.051 -3.870 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.399 9.737 -2.291 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.190 7.588 -3.503 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.969 7.387 -0.705 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.684 7.478 -1.051 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.067 6.310 -3.444 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.161 7.891 -4.228 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.710 7.640 -2.554 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.979 5.121 -0.727 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.538 5.381 -2.397 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.796 5.288 -2.046 1.00 0.00 H new ATOM 816 N ASP A 56 0.805 9.558 -1.578 1.00 0.00 N ATOM 817 CA ASP A 56 1.765 9.897 -0.488 1.00 0.00 C ATOM 818 C ASP A 56 1.496 11.312 0.033 1.00 0.00 C ATOM 819 O ASP A 56 1.917 12.289 -0.553 1.00 0.00 O ATOM 820 CB ASP A 56 3.147 9.818 -1.138 1.00 0.00 C ATOM 821 CG ASP A 56 4.221 10.120 -0.092 1.00 0.00 C ATOM 822 OD1 ASP A 56 4.482 9.255 0.727 1.00 0.00 O ATOM 823 OD2 ASP A 56 4.765 11.212 -0.128 1.00 0.00 O ATOM 0 H ASP A 56 1.229 9.207 -2.437 1.00 0.00 H new ATOM 0 HA ASP A 56 1.677 9.223 0.364 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.305 8.826 -1.561 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.215 10.530 -1.960 1.00 0.00 H new ATOM 828 N VAL A 57 0.797 11.429 1.129 1.00 0.00 N ATOM 829 CA VAL A 57 0.502 12.780 1.685 1.00 0.00 C ATOM 830 C VAL A 57 1.762 13.379 2.317 1.00 0.00 C ATOM 831 O VAL A 57 2.053 14.548 2.156 1.00 0.00 O ATOM 832 CB VAL A 57 -0.570 12.546 2.748 1.00 0.00 C ATOM 833 CG1 VAL A 57 -0.973 13.883 3.372 1.00 0.00 C ATOM 834 CG2 VAL A 57 -1.796 11.898 2.099 1.00 0.00 C ATOM 0 H VAL A 57 0.418 10.647 1.663 1.00 0.00 H new ATOM 0 HA VAL A 57 0.169 13.478 0.917 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.175 11.888 3.523 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.738 13.715 4.130 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.101 14.347 3.833 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.368 14.541 2.598 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.562 11.730 2.856 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.189 12.557 1.325 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.511 10.945 1.654 1.00 0.00 H new ATOM 844 N ASP A 58 2.512 12.587 3.033 1.00 0.00 N ATOM 845 CA ASP A 58 3.752 13.112 3.674 1.00 0.00 C ATOM 846 C ASP A 58 4.939 12.197 3.359 1.00 0.00 C ATOM 847 O ASP A 58 5.006 11.593 2.307 1.00 0.00 O ATOM 848 CB ASP A 58 3.455 13.108 5.174 1.00 0.00 C ATOM 849 CG ASP A 58 3.278 11.667 5.657 1.00 0.00 C ATOM 850 OD1 ASP A 58 2.652 10.898 4.946 1.00 0.00 O ATOM 851 OD2 ASP A 58 3.771 11.357 6.728 1.00 0.00 O ATOM 0 H ASP A 58 2.320 11.600 3.202 1.00 0.00 H new ATOM 0 HA ASP A 58 4.014 14.107 3.313 1.00 0.00 H new ATOM 0 HB2 ASP A 58 4.269 13.587 5.718 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.553 13.684 5.378 1.00 0.00 H new ATOM 856 N GLY A 59 5.873 12.089 4.264 1.00 0.00 N ATOM 857 CA GLY A 59 7.054 11.213 4.015 1.00 0.00 C ATOM 858 C GLY A 59 6.598 9.756 3.926 1.00 0.00 C ATOM 859 O GLY A 59 6.795 9.094 2.926 1.00 0.00 O ATOM 0 H GLY A 59 5.870 12.569 5.164 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.550 11.507 3.090 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.782 11.329 4.818 1.00 0.00 H new ATOM 863 N ASN A 60 5.993 9.250 4.964 1.00 0.00 N ATOM 864 CA ASN A 60 5.525 7.833 4.938 1.00 0.00 C ATOM 865 C ASN A 60 4.022 7.766 5.220 1.00 0.00 C ATOM 866 O ASN A 60 3.404 8.747 5.581 1.00 0.00 O ATOM 867 CB ASN A 60 6.311 7.136 6.048 1.00 0.00 C ATOM 868 CG ASN A 60 6.729 5.741 5.582 1.00 0.00 C ATOM 869 OD1 ASN A 60 7.720 5.589 4.895 1.00 0.00 O ATOM 870 ND2 ASN A 60 6.010 4.708 5.926 1.00 0.00 N ATOM 0 H ASN A 60 5.802 9.755 5.830 1.00 0.00 H new ATOM 0 HA ASN A 60 5.686 7.363 3.968 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.192 7.723 6.307 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.701 7.062 6.948 1.00 0.00 H new ATOM 0 HD21 ASN A 60 6.280 3.774 5.618 1.00 0.00 H new ATOM 0 HD22 ASN A 60 5.178 4.835 6.503 1.00 0.00 H new ATOM 877 N HIS A 61 3.430 6.615 5.058 1.00 0.00 N ATOM 878 CA HIS A 61 1.967 6.485 5.317 1.00 0.00 C ATOM 879 C HIS A 61 1.524 5.030 5.138 1.00 0.00 C ATOM 880 O HIS A 61 2.305 4.175 4.770 1.00 0.00 O ATOM 881 CB HIS A 61 1.299 7.384 4.276 1.00 0.00 C ATOM 882 CG HIS A 61 1.400 6.744 2.918 1.00 0.00 C ATOM 883 ND1 HIS A 61 0.723 6.969 1.744 1.00 0.00 N flip ATOM 884 CD2 HIS A 61 2.297 5.722 2.647 1.00 0.00 C flip ATOM 885 CE1 HIS A 61 1.191 6.103 0.760 1.00 0.00 C flip ATOM 886 NE2 HIS A 61 2.138 5.374 1.356 1.00 0.00 N flip ATOM 0 H HIS A 61 3.895 5.759 4.758 1.00 0.00 H new ATOM 0 HA HIS A 61 1.700 6.773 6.334 1.00 0.00 H new ATOM 0 HB2 HIS A 61 0.253 7.544 4.537 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.778 8.363 4.265 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -0.011 7.665 1.613 1.00 0.00 H new ATOM 0 HD2 HIS A 61 2.996 5.285 3.344 1.00 0.00 H new ATOM 0 HE1 HIS A 61 0.859 6.035 -0.266 1.00 0.00 H new ATOM 894 N GLN A 62 0.277 4.744 5.395 1.00 0.00 N ATOM 895 CA GLN A 62 -0.214 3.344 5.237 1.00 0.00 C ATOM 896 C GLN A 62 -1.149 3.246 4.029 1.00 0.00 C ATOM 897 O GLN A 62 -2.281 3.685 4.070 1.00 0.00 O ATOM 898 CB GLN A 62 -0.975 3.044 6.529 1.00 0.00 C ATOM 899 CG GLN A 62 -0.058 3.289 7.730 1.00 0.00 C ATOM 900 CD GLN A 62 -0.705 4.312 8.665 1.00 0.00 C ATOM 901 OE1 GLN A 62 -0.059 5.240 9.110 1.00 0.00 O ATOM 902 NE2 GLN A 62 -1.964 4.182 8.984 1.00 0.00 N ATOM 0 H GLN A 62 -0.423 5.417 5.707 1.00 0.00 H new ATOM 0 HA GLN A 62 0.598 2.637 5.069 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.859 3.677 6.598 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -1.322 2.011 6.528 1.00 0.00 H new ATOM 0 HG2 GLN A 62 0.119 2.355 8.263 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.913 3.652 7.392 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.507 3.403 8.611 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -2.405 4.859 9.606 1.00 0.00 H new ATOM 911 N ILE A 63 -0.682 2.675 2.953 1.00 0.00 N ATOM 912 CA ILE A 63 -1.545 2.550 1.741 1.00 0.00 C ATOM 913 C ILE A 63 -2.632 1.498 1.971 1.00 0.00 C ATOM 914 O ILE A 63 -2.503 0.630 2.812 1.00 0.00 O ATOM 915 CB ILE A 63 -0.598 2.107 0.627 1.00 0.00 C ATOM 916 CG1 ILE A 63 0.464 3.186 0.403 1.00 0.00 C ATOM 917 CG2 ILE A 63 -1.391 1.897 -0.664 1.00 0.00 C ATOM 918 CD1 ILE A 63 1.367 2.779 -0.763 1.00 0.00 C ATOM 0 H ILE A 63 0.258 2.290 2.859 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.054 3.483 1.498 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.114 1.173 0.912 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.013 4.143 0.190 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.058 3.320 1.307 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.715 1.581 -1.459 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.148 1.129 -0.505 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.875 2.831 -0.950 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.123 3.547 -0.923 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.855 1.832 -0.532 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.767 2.667 -1.666 1.00 0.00 H new ATOM 930 N GLU A 64 -3.703 1.568 1.230 1.00 0.00 N ATOM 931 CA GLU A 64 -4.799 0.571 1.405 1.00 0.00 C ATOM 932 C GLU A 64 -5.047 -0.175 0.091 1.00 0.00 C ATOM 933 O GLU A 64 -5.231 0.425 -0.949 1.00 0.00 O ATOM 934 CB GLU A 64 -6.026 1.396 1.794 1.00 0.00 C ATOM 935 CG GLU A 64 -6.488 0.993 3.196 1.00 0.00 C ATOM 936 CD GLU A 64 -7.380 -0.246 3.104 1.00 0.00 C ATOM 937 OE1 GLU A 64 -8.511 -0.107 2.668 1.00 0.00 O ATOM 938 OE2 GLU A 64 -6.917 -1.315 3.471 1.00 0.00 O ATOM 0 H GLU A 64 -3.868 2.272 0.511 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.559 -0.181 2.157 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.785 2.459 1.770 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.829 1.235 1.075 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.625 0.786 3.829 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.035 1.814 3.660 1.00 0.00 H new ATOM 945 N PHE A 65 -5.052 -1.480 0.130 1.00 0.00 N ATOM 946 CA PHE A 65 -5.288 -2.261 -1.118 1.00 0.00 C ATOM 947 C PHE A 65 -6.425 -1.633 -1.929 1.00 0.00 C ATOM 948 O PHE A 65 -6.392 -1.604 -3.142 1.00 0.00 O ATOM 949 CB PHE A 65 -5.678 -3.660 -0.641 1.00 0.00 C ATOM 950 CG PHE A 65 -5.831 -4.574 -1.835 1.00 0.00 C ATOM 951 CD1 PHE A 65 -4.793 -4.687 -2.767 1.00 0.00 C ATOM 952 CD2 PHE A 65 -7.012 -5.306 -2.009 1.00 0.00 C ATOM 953 CE1 PHE A 65 -4.936 -5.532 -3.874 1.00 0.00 C ATOM 954 CE2 PHE A 65 -7.155 -6.151 -3.116 1.00 0.00 C ATOM 955 CZ PHE A 65 -6.116 -6.265 -4.048 1.00 0.00 C ATOM 0 H PHE A 65 -4.903 -2.038 0.971 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.411 -2.281 -1.765 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -4.917 -4.051 0.035 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.611 -3.618 -0.080 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.882 -4.123 -2.632 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.812 -5.219 -1.289 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.136 -5.618 -4.594 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.066 -6.715 -3.251 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.225 -6.918 -4.901 1.00 0.00 H new ATOM 965 N SER A 66 -7.431 -1.130 -1.267 1.00 0.00 N ATOM 966 CA SER A 66 -8.568 -0.504 -2.001 1.00 0.00 C ATOM 967 C SER A 66 -8.072 0.686 -2.825 1.00 0.00 C ATOM 968 O SER A 66 -7.886 0.591 -4.023 1.00 0.00 O ATOM 969 CB SER A 66 -9.533 -0.037 -0.912 1.00 0.00 C ATOM 970 OG SER A 66 -10.069 -1.171 -0.243 1.00 0.00 O ATOM 0 H SER A 66 -7.515 -1.125 -0.250 1.00 0.00 H new ATOM 0 HA SER A 66 -9.043 -1.196 -2.696 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.014 0.607 -0.202 1.00 0.00 H new ATOM 0 HB3 SER A 66 -10.337 0.554 -1.351 1.00 0.00 H new ATOM 0 HG SER A 66 -10.687 -0.876 0.458 1.00 0.00 H new ATOM 976 N GLU A 67 -7.856 1.809 -2.195 1.00 0.00 N ATOM 977 CA GLU A 67 -7.372 3.003 -2.946 1.00 0.00 C ATOM 978 C GLU A 67 -6.219 2.613 -3.873 1.00 0.00 C ATOM 979 O GLU A 67 -6.154 3.033 -5.011 1.00 0.00 O ATOM 980 CB GLU A 67 -6.891 3.979 -1.871 1.00 0.00 C ATOM 981 CG GLU A 67 -5.706 3.369 -1.120 1.00 0.00 C ATOM 982 CD GLU A 67 -5.323 4.275 0.052 1.00 0.00 C ATOM 983 OE1 GLU A 67 -6.178 5.016 0.507 1.00 0.00 O ATOM 984 OE2 GLU A 67 -4.180 4.213 0.474 1.00 0.00 O ATOM 0 H GLU A 67 -7.993 1.951 -1.194 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.149 3.439 -3.574 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.598 4.924 -2.328 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.701 4.199 -1.176 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.966 2.375 -0.755 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.857 3.250 -1.794 1.00 0.00 H new ATOM 991 N PHE A 68 -5.306 1.810 -3.394 1.00 0.00 N ATOM 992 CA PHE A 68 -4.158 1.393 -4.249 1.00 0.00 C ATOM 993 C PHE A 68 -4.647 1.043 -5.657 1.00 0.00 C ATOM 994 O PHE A 68 -4.248 1.648 -6.632 1.00 0.00 O ATOM 995 CB PHE A 68 -3.580 0.158 -3.558 1.00 0.00 C ATOM 996 CG PHE A 68 -2.661 -0.573 -4.508 1.00 0.00 C ATOM 997 CD1 PHE A 68 -1.993 0.131 -5.517 1.00 0.00 C ATOM 998 CD2 PHE A 68 -2.476 -1.955 -4.378 1.00 0.00 C ATOM 999 CE1 PHE A 68 -1.140 -0.547 -6.397 1.00 0.00 C ATOM 1000 CE2 PHE A 68 -1.623 -2.632 -5.258 1.00 0.00 C ATOM 1001 CZ PHE A 68 -0.955 -1.929 -6.267 1.00 0.00 C ATOM 0 H PHE A 68 -5.306 1.426 -2.449 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.415 2.183 -4.360 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.033 0.453 -2.662 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.386 -0.502 -3.237 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -2.135 1.197 -5.617 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.991 -2.498 -3.599 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.625 -0.004 -7.176 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.480 -3.698 -5.158 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.297 -2.452 -6.945 1.00 0.00 H new ATOM 1011 N LEU A 69 -5.511 0.071 -5.770 1.00 0.00 N ATOM 1012 CA LEU A 69 -6.025 -0.318 -7.114 1.00 0.00 C ATOM 1013 C LEU A 69 -7.050 0.707 -7.605 1.00 0.00 C ATOM 1014 O LEU A 69 -7.087 1.053 -8.769 1.00 0.00 O ATOM 1015 CB LEU A 69 -6.685 -1.681 -6.904 1.00 0.00 C ATOM 1016 CG LEU A 69 -5.662 -2.790 -7.153 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -4.364 -2.467 -6.410 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -6.219 -4.121 -6.645 1.00 0.00 C ATOM 0 H LEU A 69 -5.883 -0.470 -4.990 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.235 -0.359 -7.864 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.076 -1.754 -5.889 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.532 -1.795 -7.581 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.461 -2.862 -8.222 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.636 -3.258 -6.588 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.965 -1.519 -6.770 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.565 -2.393 -5.341 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.490 -4.912 -6.822 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.421 -4.047 -5.576 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.143 -4.354 -7.174 1.00 0.00 H new ATOM 1030 N ALA A 70 -7.881 1.197 -6.727 1.00 0.00 N ATOM 1031 CA ALA A 70 -8.902 2.200 -7.145 1.00 0.00 C ATOM 1032 C ALA A 70 -8.240 3.326 -7.944 1.00 0.00 C ATOM 1033 O ALA A 70 -8.870 3.984 -8.748 1.00 0.00 O ATOM 1034 CB ALA A 70 -9.484 2.741 -5.839 1.00 0.00 C ATOM 0 H ALA A 70 -7.898 0.947 -5.738 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.670 1.765 -7.784 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -10.246 3.488 -6.062 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.932 1.923 -5.274 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -8.690 3.198 -5.249 1.00 0.00 H new ATOM 1040 N LEU A 71 -6.973 3.553 -7.728 1.00 0.00 N ATOM 1041 CA LEU A 71 -6.271 4.636 -8.475 1.00 0.00 C ATOM 1042 C LEU A 71 -5.350 4.033 -9.539 1.00 0.00 C ATOM 1043 O LEU A 71 -5.219 4.556 -10.629 1.00 0.00 O ATOM 1044 CB LEU A 71 -5.455 5.382 -7.419 1.00 0.00 C ATOM 1045 CG LEU A 71 -6.340 6.420 -6.729 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -7.624 5.751 -6.235 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -5.588 7.020 -5.538 1.00 0.00 C ATOM 0 H LEU A 71 -6.394 3.036 -7.067 1.00 0.00 H new ATOM 0 HA LEU A 71 -6.965 5.297 -8.994 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.061 4.679 -6.685 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.599 5.870 -7.884 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.592 7.210 -7.437 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.254 6.492 -5.743 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.160 5.323 -7.082 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.373 4.961 -5.527 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.218 7.760 -5.045 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.336 6.230 -4.831 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.673 7.498 -5.889 1.00 0.00 H new ATOM 1059 N MET A 72 -4.710 2.938 -9.233 1.00 0.00 N ATOM 1060 CA MET A 72 -3.799 2.303 -10.227 1.00 0.00 C ATOM 1061 C MET A 72 -4.516 2.130 -11.568 1.00 0.00 C ATOM 1062 O MET A 72 -3.899 2.103 -12.615 1.00 0.00 O ATOM 1063 CB MET A 72 -3.444 0.943 -9.628 1.00 0.00 C ATOM 1064 CG MET A 72 -1.927 0.749 -9.663 1.00 0.00 C ATOM 1065 SD MET A 72 -1.326 0.996 -11.352 1.00 0.00 S ATOM 1066 CE MET A 72 -0.862 -0.721 -11.681 1.00 0.00 C ATOM 0 H MET A 72 -4.779 2.455 -8.337 1.00 0.00 H new ATOM 0 HA MET A 72 -2.912 2.907 -10.418 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.805 0.881 -8.602 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.936 0.148 -10.188 1.00 0.00 H new ATOM 0 HG2 MET A 72 -1.444 1.454 -8.987 1.00 0.00 H new ATOM 0 HG3 MET A 72 -1.670 -0.252 -9.317 1.00 0.00 H new ATOM 0 HE1 MET A 72 0.102 -0.746 -12.189 1.00 0.00 H new ATOM 0 HE2 MET A 72 -0.790 -1.265 -10.739 1.00 0.00 H new ATOM 0 HE3 MET A 72 -1.618 -1.187 -12.313 1.00 0.00 H new ATOM 1076 N SER A 73 -5.816 2.011 -11.545 1.00 0.00 N ATOM 1077 CA SER A 73 -6.571 1.839 -12.820 1.00 0.00 C ATOM 1078 C SER A 73 -6.091 2.855 -13.860 1.00 0.00 C ATOM 1079 O SER A 73 -6.226 2.650 -15.050 1.00 0.00 O ATOM 1080 CB SER A 73 -8.032 2.097 -12.452 1.00 0.00 C ATOM 1081 OG SER A 73 -8.855 1.808 -13.574 1.00 0.00 O ATOM 0 H SER A 73 -6.387 2.025 -10.700 1.00 0.00 H new ATOM 0 HA SER A 73 -6.429 0.850 -13.255 1.00 0.00 H new ATOM 0 HB2 SER A 73 -8.321 1.476 -11.604 1.00 0.00 H new ATOM 0 HB3 SER A 73 -8.165 3.135 -12.146 1.00 0.00 H new ATOM 0 HG SER A 73 -9.793 1.971 -13.342 1.00 0.00 H new