USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 812 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 37 THR OG1 : rot -130:sc= 0.631 USER MOD Set 1.2: A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 16 SER OG : rot 79:sc= 0.12 USER MOD Single : A 17 LYS NZ :NH3+ 156:sc= 2.44 (180deg=1.1) USER MOD Single : A 24 ASN : amide:sc= -0.0176 X(o=-0.018,f=-0.3) USER MOD Single : A 26 LYS NZ :NH3+ -108:sc= 0.917 (180deg=-3.65!) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.102 USER MOD Single : A 32 HIS : no HE2:sc= -4.9 K(o=-4.9,f=-3.4!) USER MOD Single : A 35 LYS NZ :NH3+ 162:sc= 0.959 (180deg=0.717) USER MOD Single : A 41 TYR OH : rot 30:sc= -0.467 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= 0.55 K(o=0.55,f=-4.5!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 140:sc= -0.997 (180deg=-2.25) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.343 USER MOD Single : A 66 SER OG : rot 160:sc= -0.667 USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.0358 USER MOD Single : A 69 SER OG : rot 180:sc= 0.132 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -161:sc= -0.122 (180deg=-0.425) USER MOD Single : A 77 THR OG1 : rot 85:sc= 0.207 USER MOD Single : A 79 LYS NZ :NH3+ -110:sc= -0.0441 (180deg=-0.307) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -0.318 K(o=-0.32,f=-1.5) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -0.341 K(o=-0.34,f=1.4) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 23.311 18.245 11.836 1.00 0.00 N ATOM 2 CA GLU A 1 23.117 18.118 13.313 1.00 0.00 C ATOM 3 C GLU A 1 21.993 17.117 13.623 1.00 0.00 C ATOM 4 O GLU A 1 22.190 16.163 14.350 1.00 0.00 O ATOM 5 CB GLU A 1 22.740 19.523 13.793 1.00 0.00 C ATOM 6 CG GLU A 1 22.994 19.636 15.299 1.00 0.00 C ATOM 7 CD GLU A 1 21.748 20.192 15.991 1.00 0.00 C ATOM 8 OE1 GLU A 1 20.835 19.419 16.233 1.00 0.00 O ATOM 9 OE2 GLU A 1 21.727 21.381 16.266 1.00 0.00 O ATOM 0 H1 GLU A 1 24.074 18.925 11.643 1.00 0.00 H new ATOM 0 H2 GLU A 1 23.565 17.318 11.438 1.00 0.00 H new ATOM 0 H3 GLU A 1 22.430 18.580 11.398 1.00 0.00 H new ATOM 0 HA GLU A 1 24.012 17.748 13.812 1.00 0.00 H new ATOM 0 HB2 GLU A 1 23.326 20.271 13.258 1.00 0.00 H new ATOM 0 HB3 GLU A 1 21.691 19.724 13.575 1.00 0.00 H new ATOM 0 HG2 GLU A 1 23.244 18.658 15.710 1.00 0.00 H new ATOM 0 HG3 GLU A 1 23.847 20.288 15.486 1.00 0.00 H new ATOM 18 N ALA A 2 20.819 17.327 13.074 1.00 0.00 N ATOM 19 CA ALA A 2 19.684 16.386 13.337 1.00 0.00 C ATOM 20 C ALA A 2 19.918 15.049 12.621 1.00 0.00 C ATOM 21 O ALA A 2 20.510 15.000 11.558 1.00 0.00 O ATOM 22 CB ALA A 2 18.444 17.085 12.774 1.00 0.00 C ATOM 0 H ALA A 2 20.599 18.108 12.456 1.00 0.00 H new ATOM 0 HA ALA A 2 19.579 16.161 14.398 1.00 0.00 H new ATOM 0 HB1 ALA A 2 17.569 16.454 12.930 1.00 0.00 H new ATOM 0 HB2 ALA A 2 18.300 18.038 13.284 1.00 0.00 H new ATOM 0 HB3 ALA A 2 18.579 17.261 11.707 1.00 0.00 H new ATOM 28 N TYR A 3 19.454 13.967 13.197 1.00 0.00 N ATOM 29 CA TYR A 3 19.643 12.627 12.556 1.00 0.00 C ATOM 30 C TYR A 3 18.308 12.109 12.009 1.00 0.00 C ATOM 31 O TYR A 3 17.259 12.342 12.583 1.00 0.00 O ATOM 32 CB TYR A 3 20.154 11.713 13.675 1.00 0.00 C ATOM 33 CG TYR A 3 21.555 12.122 14.071 1.00 0.00 C ATOM 34 CD1 TYR A 3 22.656 11.644 13.348 1.00 0.00 C ATOM 35 CD2 TYR A 3 21.752 12.977 15.162 1.00 0.00 C ATOM 36 CE1 TYR A 3 23.953 12.024 13.717 1.00 0.00 C ATOM 37 CE2 TYR A 3 23.048 13.354 15.530 1.00 0.00 C ATOM 38 CZ TYR A 3 24.149 12.879 14.809 1.00 0.00 C ATOM 39 OH TYR A 3 25.426 13.253 15.171 1.00 0.00 O ATOM 0 H TYR A 3 18.952 13.953 14.085 1.00 0.00 H new ATOM 0 HA TYR A 3 20.338 12.668 11.717 1.00 0.00 H new ATOM 0 HB2 TYR A 3 19.490 11.773 14.538 1.00 0.00 H new ATOM 0 HB3 TYR A 3 20.149 10.676 13.340 1.00 0.00 H new ATOM 0 HD1 TYR A 3 22.505 10.983 12.507 1.00 0.00 H new ATOM 0 HD2 TYR A 3 20.904 13.345 15.719 1.00 0.00 H new ATOM 0 HE1 TYR A 3 24.802 11.658 13.159 1.00 0.00 H new ATOM 0 HE2 TYR A 3 23.199 14.013 16.372 1.00 0.00 H new ATOM 0 HH TYR A 3 25.384 13.849 15.948 1.00 0.00 H new ATOM 49 N VAL A 4 18.339 11.406 10.904 1.00 0.00 N ATOM 50 CA VAL A 4 17.073 10.869 10.315 1.00 0.00 C ATOM 51 C VAL A 4 17.278 9.422 9.839 1.00 0.00 C ATOM 52 O VAL A 4 18.298 9.085 9.265 1.00 0.00 O ATOM 53 CB VAL A 4 16.747 11.803 9.138 1.00 0.00 C ATOM 54 CG1 VAL A 4 17.842 11.715 8.067 1.00 0.00 C ATOM 55 CG2 VAL A 4 15.403 11.401 8.521 1.00 0.00 C ATOM 0 H VAL A 4 19.187 11.181 10.384 1.00 0.00 H new ATOM 0 HA VAL A 4 16.258 10.842 11.038 1.00 0.00 H new ATOM 0 HB VAL A 4 16.693 12.827 9.508 1.00 0.00 H new ATOM 0 HG11 VAL A 4 17.597 12.382 7.240 1.00 0.00 H new ATOM 0 HG12 VAL A 4 18.798 12.009 8.499 1.00 0.00 H new ATOM 0 HG13 VAL A 4 17.910 10.691 7.699 1.00 0.00 H new ATOM 0 HG21 VAL A 4 15.173 12.064 7.687 1.00 0.00 H new ATOM 0 HG22 VAL A 4 15.460 10.373 8.163 1.00 0.00 H new ATOM 0 HG23 VAL A 4 14.619 11.480 9.274 1.00 0.00 H new ATOM 65 N GLN A 5 16.315 8.568 10.077 1.00 0.00 N ATOM 66 CA GLN A 5 16.448 7.142 9.641 1.00 0.00 C ATOM 67 C GLN A 5 16.028 6.990 8.174 1.00 0.00 C ATOM 68 O GLN A 5 16.663 6.288 7.411 1.00 0.00 O ATOM 69 CB GLN A 5 15.502 6.351 10.553 1.00 0.00 C ATOM 70 CG GLN A 5 16.161 6.139 11.920 1.00 0.00 C ATOM 71 CD GLN A 5 15.247 6.684 13.022 1.00 0.00 C ATOM 72 OE1 GLN A 5 14.951 7.862 13.054 1.00 0.00 O ATOM 73 NE2 GLN A 5 14.787 5.873 13.936 1.00 0.00 N ATOM 0 H GLN A 5 15.442 8.795 10.554 1.00 0.00 H new ATOM 0 HA GLN A 5 17.476 6.788 9.715 1.00 0.00 H new ATOM 0 HB2 GLN A 5 14.561 6.889 10.671 1.00 0.00 H new ATOM 0 HB3 GLN A 5 15.264 5.389 10.100 1.00 0.00 H new ATOM 0 HG2 GLN A 5 16.351 5.078 12.083 1.00 0.00 H new ATOM 0 HG3 GLN A 5 17.126 6.644 11.952 1.00 0.00 H new ATOM 0 HE21 GLN A 5 15.034 4.884 13.911 1.00 0.00 H new ATOM 0 HE22 GLN A 5 14.180 6.229 14.675 1.00 0.00 H new ATOM 82 N GLY A 6 14.957 7.636 7.778 1.00 0.00 N ATOM 83 CA GLY A 6 14.490 7.526 6.363 1.00 0.00 C ATOM 84 C GLY A 6 13.582 6.297 6.192 1.00 0.00 C ATOM 85 O GLY A 6 13.103 6.029 5.106 1.00 0.00 O ATOM 0 H GLY A 6 14.387 8.235 8.376 1.00 0.00 H new ATOM 0 HA2 GLY A 6 13.948 8.429 6.081 1.00 0.00 H new ATOM 0 HA3 GLY A 6 15.348 7.448 5.695 1.00 0.00 H new ATOM 89 N TRP A 7 13.337 5.549 7.249 1.00 0.00 N ATOM 90 CA TRP A 7 12.456 4.340 7.138 1.00 0.00 C ATOM 91 C TRP A 7 11.068 4.740 6.627 1.00 0.00 C ATOM 92 O TRP A 7 10.543 4.140 5.707 1.00 0.00 O ATOM 93 CB TRP A 7 12.362 3.777 8.562 1.00 0.00 C ATOM 94 CG TRP A 7 13.335 2.649 8.732 1.00 0.00 C ATOM 95 CD1 TRP A 7 14.683 2.763 8.668 1.00 0.00 C ATOM 96 CD2 TRP A 7 13.057 1.244 9.000 1.00 0.00 C ATOM 97 NE1 TRP A 7 15.248 1.517 8.878 1.00 0.00 N ATOM 98 CE2 TRP A 7 14.286 0.549 9.087 1.00 0.00 C ATOM 99 CE3 TRP A 7 11.868 0.512 9.175 1.00 0.00 C ATOM 100 CZ2 TRP A 7 14.334 -0.823 9.338 1.00 0.00 C ATOM 101 CZ3 TRP A 7 11.914 -0.868 9.427 1.00 0.00 C ATOM 102 CH2 TRP A 7 13.144 -1.534 9.508 1.00 0.00 C ATOM 0 H TRP A 7 13.710 5.726 8.182 1.00 0.00 H new ATOM 0 HA TRP A 7 12.854 3.606 6.437 1.00 0.00 H new ATOM 0 HB2 TRP A 7 12.573 4.563 9.287 1.00 0.00 H new ATOM 0 HB3 TRP A 7 11.348 3.427 8.757 1.00 0.00 H new ATOM 0 HD1 TRP A 7 15.228 3.677 8.483 1.00 0.00 H new ATOM 0 HE1 TRP A 7 16.252 1.336 8.878 1.00 0.00 H new ATOM 0 HE3 TRP A 7 10.914 1.015 9.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 15.285 -1.331 9.400 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 10.995 -1.420 9.559 1.00 0.00 H new ATOM 0 HH2 TRP A 7 13.172 -2.596 9.702 1.00 0.00 H new ATOM 113 N GLU A 8 10.477 5.754 7.212 1.00 0.00 N ATOM 114 CA GLU A 8 9.124 6.208 6.760 1.00 0.00 C ATOM 115 C GLU A 8 9.170 6.611 5.282 1.00 0.00 C ATOM 116 O GLU A 8 8.258 6.329 4.527 1.00 0.00 O ATOM 117 CB GLU A 8 8.788 7.418 7.638 1.00 0.00 C ATOM 118 CG GLU A 8 7.321 7.353 8.076 1.00 0.00 C ATOM 119 CD GLU A 8 7.238 7.327 9.607 1.00 0.00 C ATOM 120 OE1 GLU A 8 7.754 8.245 10.226 1.00 0.00 O ATOM 121 OE2 GLU A 8 6.656 6.392 10.134 1.00 0.00 O ATOM 0 H GLU A 8 10.874 6.288 7.985 1.00 0.00 H new ATOM 0 HA GLU A 8 8.375 5.422 6.854 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.438 7.435 8.513 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.972 8.340 7.087 1.00 0.00 H new ATOM 0 HG2 GLU A 8 6.777 8.214 7.688 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.847 6.463 7.662 1.00 0.00 H new ATOM 128 N ALA A 9 10.232 7.258 4.865 1.00 0.00 N ATOM 129 CA ALA A 9 10.350 7.670 3.435 1.00 0.00 C ATOM 130 C ALA A 9 10.415 6.431 2.537 1.00 0.00 C ATOM 131 O ALA A 9 9.818 6.394 1.478 1.00 0.00 O ATOM 132 CB ALA A 9 11.652 8.472 3.348 1.00 0.00 C ATOM 0 H ALA A 9 11.022 7.518 5.456 1.00 0.00 H new ATOM 0 HA ALA A 9 9.495 8.260 3.104 1.00 0.00 H new ATOM 0 HB1 ALA A 9 11.804 8.808 2.322 1.00 0.00 H new ATOM 0 HB2 ALA A 9 11.591 9.337 4.008 1.00 0.00 H new ATOM 0 HB3 ALA A 9 12.488 7.842 3.651 1.00 0.00 H new ATOM 138 N VAL A 10 11.120 5.409 2.963 1.00 0.00 N ATOM 139 CA VAL A 10 11.206 4.163 2.141 1.00 0.00 C ATOM 140 C VAL A 10 9.818 3.519 2.050 1.00 0.00 C ATOM 141 O VAL A 10 9.406 3.064 1.000 1.00 0.00 O ATOM 142 CB VAL A 10 12.195 3.246 2.876 1.00 0.00 C ATOM 143 CG1 VAL A 10 12.194 1.856 2.231 1.00 0.00 C ATOM 144 CG2 VAL A 10 13.605 3.836 2.786 1.00 0.00 C ATOM 0 H VAL A 10 11.637 5.385 3.842 1.00 0.00 H new ATOM 0 HA VAL A 10 11.542 4.356 1.122 1.00 0.00 H new ATOM 0 HB VAL A 10 11.894 3.164 3.920 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.897 1.210 2.757 1.00 0.00 H new ATOM 0 HG12 VAL A 10 11.194 1.428 2.291 1.00 0.00 H new ATOM 0 HG13 VAL A 10 12.490 1.940 1.185 1.00 0.00 H new ATOM 0 HG21 VAL A 10 14.306 3.185 3.308 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.898 3.920 1.740 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.616 4.824 3.246 1.00 0.00 H new ATOM 154 N ALA A 11 9.088 3.501 3.141 1.00 0.00 N ATOM 155 CA ALA A 11 7.716 2.908 3.120 1.00 0.00 C ATOM 156 C ALA A 11 6.819 3.709 2.170 1.00 0.00 C ATOM 157 O ALA A 11 6.025 3.151 1.436 1.00 0.00 O ATOM 158 CB ALA A 11 7.207 3.012 4.560 1.00 0.00 C ATOM 0 H ALA A 11 9.385 3.872 4.044 1.00 0.00 H new ATOM 0 HA ALA A 11 7.716 1.876 2.770 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.202 2.595 4.622 1.00 0.00 H new ATOM 0 HB2 ALA A 11 7.872 2.457 5.222 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.185 4.059 4.863 1.00 0.00 H new ATOM 164 N ALA A 12 6.953 5.016 2.171 1.00 0.00 N ATOM 165 CA ALA A 12 6.125 5.860 1.259 1.00 0.00 C ATOM 166 C ALA A 12 6.468 5.530 -0.198 1.00 0.00 C ATOM 167 O ALA A 12 5.595 5.431 -1.038 1.00 0.00 O ATOM 168 CB ALA A 12 6.500 7.306 1.592 1.00 0.00 C ATOM 0 H ALA A 12 7.602 5.532 2.766 1.00 0.00 H new ATOM 0 HA ALA A 12 5.056 5.688 1.387 1.00 0.00 H new ATOM 0 HB1 ALA A 12 5.929 7.985 0.959 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.273 7.509 2.639 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.565 7.455 1.416 1.00 0.00 H new ATOM 174 N ALA A 13 7.733 5.341 -0.494 1.00 0.00 N ATOM 175 CA ALA A 13 8.135 4.995 -1.891 1.00 0.00 C ATOM 176 C ALA A 13 7.516 3.648 -2.283 1.00 0.00 C ATOM 177 O ALA A 13 7.031 3.478 -3.386 1.00 0.00 O ATOM 178 CB ALA A 13 9.663 4.904 -1.863 1.00 0.00 C ATOM 0 H ALA A 13 8.502 5.412 0.172 1.00 0.00 H new ATOM 0 HA ALA A 13 7.796 5.732 -2.619 1.00 0.00 H new ATOM 0 HB1 ALA A 13 10.031 4.652 -2.858 1.00 0.00 H new ATOM 0 HB2 ALA A 13 10.079 5.863 -1.554 1.00 0.00 H new ATOM 0 HB3 ALA A 13 9.969 4.132 -1.157 1.00 0.00 H new ATOM 184 N VAL A 14 7.513 2.697 -1.377 1.00 0.00 N ATOM 185 CA VAL A 14 6.906 1.365 -1.684 1.00 0.00 C ATOM 186 C VAL A 14 5.406 1.543 -1.964 1.00 0.00 C ATOM 187 O VAL A 14 4.863 0.948 -2.878 1.00 0.00 O ATOM 188 CB VAL A 14 7.133 0.511 -0.427 1.00 0.00 C ATOM 189 CG1 VAL A 14 6.571 -0.896 -0.644 1.00 0.00 C ATOM 190 CG2 VAL A 14 8.635 0.404 -0.134 1.00 0.00 C ATOM 0 H VAL A 14 7.905 2.788 -0.440 1.00 0.00 H new ATOM 0 HA VAL A 14 7.348 0.894 -2.562 1.00 0.00 H new ATOM 0 HB VAL A 14 6.626 0.985 0.413 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.736 -1.496 0.251 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.502 -0.833 -0.847 1.00 0.00 H new ATOM 0 HG13 VAL A 14 7.075 -1.362 -1.491 1.00 0.00 H new ATOM 0 HG21 VAL A 14 8.789 -0.203 0.758 1.00 0.00 H new ATOM 0 HG22 VAL A 14 9.139 -0.062 -0.981 1.00 0.00 H new ATOM 0 HG23 VAL A 14 9.046 1.400 0.029 1.00 0.00 H new ATOM 200 N ALA A 15 4.744 2.377 -1.193 1.00 0.00 N ATOM 201 CA ALA A 15 3.287 2.622 -1.423 1.00 0.00 C ATOM 202 C ALA A 15 3.089 3.261 -2.803 1.00 0.00 C ATOM 203 O ALA A 15 2.172 2.920 -3.528 1.00 0.00 O ATOM 204 CB ALA A 15 2.853 3.581 -0.312 1.00 0.00 C ATOM 0 H ALA A 15 5.152 2.897 -0.416 1.00 0.00 H new ATOM 0 HA ALA A 15 2.700 1.704 -1.402 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.792 3.805 -0.419 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.030 3.117 0.659 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.428 4.504 -0.383 1.00 0.00 H new ATOM 210 N SER A 16 3.960 4.172 -3.175 1.00 0.00 N ATOM 211 CA SER A 16 3.850 4.821 -4.517 1.00 0.00 C ATOM 212 C SER A 16 4.037 3.766 -5.610 1.00 0.00 C ATOM 213 O SER A 16 3.357 3.784 -6.620 1.00 0.00 O ATOM 214 CB SER A 16 4.977 5.854 -4.564 1.00 0.00 C ATOM 215 OG SER A 16 4.680 6.916 -3.667 1.00 0.00 O ATOM 0 H SER A 16 4.742 4.492 -2.604 1.00 0.00 H new ATOM 0 HA SER A 16 2.878 5.288 -4.676 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.924 5.388 -4.293 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.090 6.240 -5.577 1.00 0.00 H new ATOM 0 HG SER A 16 4.887 6.638 -2.750 1.00 0.00 H new ATOM 221 N LYS A 17 4.943 2.833 -5.407 1.00 0.00 N ATOM 222 CA LYS A 17 5.157 1.761 -6.424 1.00 0.00 C ATOM 223 C LYS A 17 3.859 0.966 -6.605 1.00 0.00 C ATOM 224 O LYS A 17 3.515 0.576 -7.703 1.00 0.00 O ATOM 225 CB LYS A 17 6.255 0.854 -5.859 1.00 0.00 C ATOM 226 CG LYS A 17 7.052 0.229 -7.009 1.00 0.00 C ATOM 227 CD LYS A 17 6.991 -1.299 -6.906 1.00 0.00 C ATOM 228 CE LYS A 17 6.775 -1.908 -8.299 1.00 0.00 C ATOM 229 NZ LYS A 17 8.089 -2.502 -8.687 1.00 0.00 N ATOM 0 H LYS A 17 5.539 2.772 -4.582 1.00 0.00 H new ATOM 0 HA LYS A 17 5.442 2.170 -7.394 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.919 1.429 -5.214 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.812 0.071 -5.243 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.645 0.556 -7.966 1.00 0.00 H new ATOM 0 HG3 LYS A 17 8.088 0.565 -6.971 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.915 -1.680 -6.472 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.180 -1.595 -6.240 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.993 -2.667 -8.278 1.00 0.00 H new ATOM 0 HE3 LYS A 17 6.462 -1.148 -9.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 7.936 -3.255 -9.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.696 -1.764 -9.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.551 -2.901 -7.845 1.00 0.00 H new ATOM 243 N ILE A 18 3.134 0.735 -5.531 1.00 0.00 N ATOM 244 CA ILE A 18 1.850 -0.023 -5.637 1.00 0.00 C ATOM 245 C ILE A 18 0.827 0.794 -6.437 1.00 0.00 C ATOM 246 O ILE A 18 0.016 0.245 -7.152 1.00 0.00 O ATOM 247 CB ILE A 18 1.362 -0.235 -4.195 1.00 0.00 C ATOM 248 CG1 ILE A 18 2.238 -1.292 -3.510 1.00 0.00 C ATOM 249 CG2 ILE A 18 -0.097 -0.707 -4.210 1.00 0.00 C ATOM 250 CD1 ILE A 18 1.676 -1.633 -2.125 1.00 0.00 C ATOM 0 H ILE A 18 3.379 1.040 -4.589 1.00 0.00 H new ATOM 0 HA ILE A 18 1.982 -0.975 -6.152 1.00 0.00 H new ATOM 0 HB ILE A 18 1.431 0.704 -3.646 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.281 -2.192 -4.124 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.259 -0.922 -3.415 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.441 -0.857 -3.187 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.718 0.046 -4.695 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.170 -1.646 -4.759 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.308 -2.384 -1.651 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.656 -0.734 -1.509 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.664 -2.024 -2.229 1.00 0.00 H new ATOM 262 N VAL A 19 0.864 2.102 -6.328 1.00 0.00 N ATOM 263 CA VAL A 19 -0.106 2.946 -7.092 1.00 0.00 C ATOM 264 C VAL A 19 0.109 2.747 -8.601 1.00 0.00 C ATOM 265 O VAL A 19 -0.826 2.493 -9.336 1.00 0.00 O ATOM 266 CB VAL A 19 0.191 4.395 -6.672 1.00 0.00 C ATOM 267 CG1 VAL A 19 -0.425 5.371 -7.678 1.00 0.00 C ATOM 268 CG2 VAL A 19 -0.412 4.658 -5.288 1.00 0.00 C ATOM 0 H VAL A 19 1.522 2.618 -5.745 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.143 2.683 -6.883 1.00 0.00 H new ATOM 0 HB VAL A 19 1.271 4.541 -6.642 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -0.209 6.394 -7.371 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.001 5.191 -8.666 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.504 5.223 -7.714 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.202 5.685 -4.989 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.490 4.504 -5.326 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.027 3.972 -4.563 1.00 0.00 H new ATOM 278 N GLY A 20 1.332 2.852 -9.063 1.00 0.00 N ATOM 279 CA GLY A 20 1.607 2.664 -10.525 1.00 0.00 C ATOM 280 C GLY A 20 1.641 1.166 -10.888 1.00 0.00 C ATOM 281 O GLY A 20 1.621 0.810 -12.051 1.00 0.00 O ATOM 0 H GLY A 20 2.152 3.060 -8.492 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.839 3.168 -11.112 1.00 0.00 H new ATOM 0 HA3 GLY A 20 2.560 3.127 -10.783 1.00 0.00 H new ATOM 285 N LEU A 21 1.701 0.289 -9.913 1.00 0.00 N ATOM 286 CA LEU A 21 1.746 -1.179 -10.207 1.00 0.00 C ATOM 287 C LEU A 21 0.346 -1.807 -10.075 1.00 0.00 C ATOM 288 O LEU A 21 0.070 -2.849 -10.644 1.00 0.00 O ATOM 289 CB LEU A 21 2.704 -1.749 -9.151 1.00 0.00 C ATOM 290 CG LEU A 21 2.926 -3.246 -9.378 1.00 0.00 C ATOM 291 CD1 LEU A 21 4.009 -3.452 -10.441 1.00 0.00 C ATOM 292 CD2 LEU A 21 3.372 -3.893 -8.062 1.00 0.00 C ATOM 0 H LEU A 21 1.721 0.529 -8.922 1.00 0.00 H new ATOM 0 HA LEU A 21 2.077 -1.390 -11.224 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.658 -1.223 -9.196 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.295 -1.583 -8.154 1.00 0.00 H new ATOM 0 HG LEU A 21 1.998 -3.705 -9.718 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.164 -4.519 -10.600 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.694 -2.988 -11.376 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.940 -2.996 -10.105 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.532 -4.960 -8.217 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.301 -3.432 -7.726 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.601 -3.748 -7.305 1.00 0.00 H new ATOM 304 N TRP A 22 -0.534 -1.187 -9.325 1.00 0.00 N ATOM 305 CA TRP A 22 -1.907 -1.742 -9.145 1.00 0.00 C ATOM 306 C TRP A 22 -2.694 -1.683 -10.462 1.00 0.00 C ATOM 307 O TRP A 22 -2.751 -0.664 -11.122 1.00 0.00 O ATOM 308 CB TRP A 22 -2.554 -0.846 -8.078 1.00 0.00 C ATOM 309 CG TRP A 22 -4.027 -1.099 -8.012 1.00 0.00 C ATOM 310 CD1 TRP A 22 -4.605 -2.319 -7.919 1.00 0.00 C ATOM 311 CD2 TRP A 22 -5.118 -0.132 -8.031 1.00 0.00 C ATOM 312 NE1 TRP A 22 -5.976 -2.160 -7.882 1.00 0.00 N ATOM 313 CE2 TRP A 22 -6.342 -0.832 -7.947 1.00 0.00 C ATOM 314 CE3 TRP A 22 -5.162 1.271 -8.112 1.00 0.00 C ATOM 315 CZ2 TRP A 22 -7.569 -0.168 -7.943 1.00 0.00 C ATOM 316 CZ3 TRP A 22 -6.394 1.945 -8.109 1.00 0.00 C ATOM 317 CH2 TRP A 22 -7.595 1.226 -8.024 1.00 0.00 C ATOM 0 H TRP A 22 -0.356 -0.314 -8.828 1.00 0.00 H new ATOM 0 HA TRP A 22 -1.893 -2.790 -8.846 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -2.101 -1.041 -7.106 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -2.368 0.202 -8.312 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -4.080 -3.262 -7.880 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -6.639 -2.932 -7.815 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -4.243 1.834 -8.177 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -8.491 -0.727 -7.878 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -6.417 3.023 -8.172 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -8.539 1.750 -8.021 1.00 0.00 H new ATOM 328 N ARG A 23 -3.310 -2.776 -10.828 1.00 0.00 N ATOM 329 CA ARG A 23 -4.116 -2.821 -12.084 1.00 0.00 C ATOM 330 C ARG A 23 -5.601 -2.642 -11.733 1.00 0.00 C ATOM 331 O ARG A 23 -5.926 -2.160 -10.666 1.00 0.00 O ATOM 332 CB ARG A 23 -3.833 -4.213 -12.666 1.00 0.00 C ATOM 333 CG ARG A 23 -3.822 -4.138 -14.195 1.00 0.00 C ATOM 334 CD ARG A 23 -4.051 -5.535 -14.780 1.00 0.00 C ATOM 335 NE ARG A 23 -3.064 -5.657 -15.889 1.00 0.00 N ATOM 336 CZ ARG A 23 -3.450 -6.079 -17.063 1.00 0.00 C ATOM 337 NH1 ARG A 23 -3.491 -7.361 -17.312 1.00 0.00 N ATOM 338 NH2 ARG A 23 -3.790 -5.218 -17.987 1.00 0.00 N ATOM 0 H ARG A 23 -3.289 -3.651 -10.303 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.866 -2.036 -12.797 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.874 -4.582 -12.303 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.593 -4.919 -12.332 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.599 -3.456 -14.541 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.869 -3.739 -14.543 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.896 -6.308 -14.027 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -5.072 -5.647 -15.146 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.087 -5.411 -15.731 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -3.222 -8.030 -16.590 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -3.792 -7.693 -18.228 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.754 -4.218 -17.790 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -4.092 -5.547 -18.904 1.00 0.00 H new ATOM 352 N ASN A 24 -6.503 -3.015 -12.613 1.00 0.00 N ATOM 353 CA ASN A 24 -7.964 -2.857 -12.309 1.00 0.00 C ATOM 354 C ASN A 24 -8.283 -3.403 -10.908 1.00 0.00 C ATOM 355 O ASN A 24 -8.982 -2.774 -10.136 1.00 0.00 O ATOM 356 CB ASN A 24 -8.693 -3.682 -13.376 1.00 0.00 C ATOM 357 CG ASN A 24 -9.086 -2.781 -14.550 1.00 0.00 C ATOM 358 OD1 ASN A 24 -9.679 -1.737 -14.361 1.00 0.00 O ATOM 359 ND2 ASN A 24 -8.779 -3.143 -15.766 1.00 0.00 N ATOM 0 H ASN A 24 -6.292 -3.420 -13.525 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.269 -1.810 -12.323 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -8.051 -4.490 -13.725 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -9.582 -4.144 -12.947 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -9.037 -2.550 -16.555 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -8.281 -4.019 -15.927 1.00 0.00 H new ATOM 366 N GLU A 25 -7.765 -4.564 -10.578 1.00 0.00 N ATOM 367 CA GLU A 25 -8.026 -5.156 -9.224 1.00 0.00 C ATOM 368 C GLU A 25 -6.982 -6.237 -8.888 1.00 0.00 C ATOM 369 O GLU A 25 -7.289 -7.240 -8.269 1.00 0.00 O ATOM 370 CB GLU A 25 -9.433 -5.763 -9.314 1.00 0.00 C ATOM 371 CG GLU A 25 -9.473 -6.848 -10.401 1.00 0.00 C ATOM 372 CD GLU A 25 -10.661 -6.603 -11.336 1.00 0.00 C ATOM 373 OE1 GLU A 25 -11.785 -6.788 -10.896 1.00 0.00 O ATOM 374 OE2 GLU A 25 -10.427 -6.241 -12.475 1.00 0.00 O ATOM 0 H GLU A 25 -7.173 -5.128 -11.188 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.957 -4.408 -8.434 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.715 -6.191 -8.352 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.160 -4.983 -9.541 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.543 -6.840 -10.970 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.557 -7.833 -9.942 1.00 0.00 H new ATOM 381 N LYS A 26 -5.750 -6.038 -9.291 1.00 0.00 N ATOM 382 CA LYS A 26 -4.680 -7.045 -9.005 1.00 0.00 C ATOM 383 C LYS A 26 -3.304 -6.371 -9.033 1.00 0.00 C ATOM 384 O LYS A 26 -3.120 -5.352 -9.667 1.00 0.00 O ATOM 385 CB LYS A 26 -4.799 -8.064 -10.139 1.00 0.00 C ATOM 386 CG LYS A 26 -4.052 -9.352 -9.766 1.00 0.00 C ATOM 387 CD LYS A 26 -3.560 -10.049 -11.039 1.00 0.00 C ATOM 388 CE LYS A 26 -2.129 -9.595 -11.363 1.00 0.00 C ATOM 389 NZ LYS A 26 -1.242 -10.352 -10.427 1.00 0.00 N ATOM 0 H LYS A 26 -5.438 -5.216 -9.809 1.00 0.00 H new ATOM 0 HA LYS A 26 -4.789 -7.506 -8.023 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.849 -8.285 -10.332 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -4.387 -7.648 -11.058 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.208 -9.120 -9.117 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.710 -10.017 -9.207 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -3.586 -11.130 -10.905 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.223 -9.814 -11.872 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.876 -9.809 -12.401 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.018 -8.520 -11.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.869 -9.705 -9.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.788 -11.109 -9.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.451 -10.769 -10.959 1.00 0.00 H new ATOM 403 N THR A 27 -2.334 -6.931 -8.353 1.00 0.00 N ATOM 404 CA THR A 27 -0.972 -6.318 -8.350 1.00 0.00 C ATOM 405 C THR A 27 0.084 -7.380 -8.021 1.00 0.00 C ATOM 406 O THR A 27 -0.202 -8.379 -7.392 1.00 0.00 O ATOM 407 CB THR A 27 -1.020 -5.226 -7.271 1.00 0.00 C ATOM 408 OG1 THR A 27 0.110 -4.375 -7.408 1.00 0.00 O ATOM 409 CG2 THR A 27 -1.021 -5.853 -5.874 1.00 0.00 C ATOM 0 H THR A 27 -2.427 -7.784 -7.802 1.00 0.00 H new ATOM 0 HA THR A 27 -0.702 -5.902 -9.321 1.00 0.00 H new ATOM 0 HB THR A 27 -1.935 -4.648 -7.397 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.079 -3.677 -6.721 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.055 -5.065 -5.122 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.894 -6.497 -5.765 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.115 -6.444 -5.740 1.00 0.00 H new ATOM 417 N GLU A 28 1.301 -7.168 -8.445 1.00 0.00 N ATOM 418 CA GLU A 28 2.383 -8.160 -8.163 1.00 0.00 C ATOM 419 C GLU A 28 3.448 -7.515 -7.269 1.00 0.00 C ATOM 420 O GLU A 28 4.176 -6.640 -7.694 1.00 0.00 O ATOM 421 CB GLU A 28 2.959 -8.524 -9.536 1.00 0.00 C ATOM 422 CG GLU A 28 1.992 -9.468 -10.265 1.00 0.00 C ATOM 423 CD GLU A 28 1.259 -8.724 -11.396 1.00 0.00 C ATOM 424 OE1 GLU A 28 0.995 -7.540 -11.242 1.00 0.00 O ATOM 425 OE2 GLU A 28 0.959 -9.360 -12.393 1.00 0.00 O ATOM 0 H GLU A 28 1.595 -6.348 -8.976 1.00 0.00 H new ATOM 0 HA GLU A 28 2.021 -9.045 -7.639 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.117 -7.622 -10.126 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.931 -9.002 -9.419 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.542 -10.315 -10.676 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.267 -9.872 -9.558 1.00 0.00 H new ATOM 432 N LEU A 29 3.530 -7.926 -6.027 1.00 0.00 N ATOM 433 CA LEU A 29 4.534 -7.312 -5.101 1.00 0.00 C ATOM 434 C LEU A 29 5.621 -8.333 -4.729 1.00 0.00 C ATOM 435 O LEU A 29 5.322 -9.443 -4.332 1.00 0.00 O ATOM 436 CB LEU A 29 3.736 -6.900 -3.853 1.00 0.00 C ATOM 437 CG LEU A 29 2.420 -6.198 -4.245 1.00 0.00 C ATOM 438 CD1 LEU A 29 1.808 -5.543 -3.005 1.00 0.00 C ATOM 439 CD2 LEU A 29 2.676 -5.120 -5.310 1.00 0.00 C ATOM 0 H LEU A 29 2.949 -8.656 -5.615 1.00 0.00 H new ATOM 0 HA LEU A 29 5.042 -6.463 -5.559 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.517 -7.781 -3.250 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.338 -6.233 -3.236 1.00 0.00 H new ATOM 0 HG LEU A 29 1.736 -6.942 -4.655 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.877 -5.046 -3.278 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.605 -6.306 -2.253 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.505 -4.810 -2.599 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.735 -4.637 -5.572 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.368 -4.376 -4.916 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.107 -5.581 -6.198 1.00 0.00 H new ATOM 451 N LEU A 30 6.881 -7.965 -4.859 1.00 0.00 N ATOM 452 CA LEU A 30 7.998 -8.912 -4.516 1.00 0.00 C ATOM 453 C LEU A 30 7.915 -10.172 -5.389 1.00 0.00 C ATOM 454 O LEU A 30 8.286 -11.254 -4.971 1.00 0.00 O ATOM 455 CB LEU A 30 7.794 -9.278 -3.038 1.00 0.00 C ATOM 456 CG LEU A 30 9.151 -9.516 -2.366 1.00 0.00 C ATOM 457 CD1 LEU A 30 9.484 -8.341 -1.443 1.00 0.00 C ATOM 458 CD2 LEU A 30 9.088 -10.800 -1.536 1.00 0.00 C ATOM 0 H LEU A 30 7.183 -7.048 -5.188 1.00 0.00 H new ATOM 0 HA LEU A 30 8.975 -8.461 -4.690 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.261 -8.477 -2.526 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.177 -10.173 -2.958 1.00 0.00 H new ATOM 0 HG LEU A 30 9.920 -9.607 -3.133 1.00 0.00 H new ATOM 0 HD11 LEU A 30 10.449 -8.514 -0.967 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.527 -7.421 -2.026 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.713 -8.250 -0.677 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.052 -10.971 -1.057 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.316 -10.702 -0.773 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.851 -11.642 -2.186 1.00 0.00 H new ATOM 470 N GLY A 31 7.415 -10.045 -6.594 1.00 0.00 N ATOM 471 CA GLY A 31 7.289 -11.236 -7.485 1.00 0.00 C ATOM 472 C GLY A 31 6.177 -12.157 -6.961 1.00 0.00 C ATOM 473 O GLY A 31 6.154 -13.338 -7.253 1.00 0.00 O ATOM 0 H GLY A 31 7.089 -9.167 -6.997 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.063 -10.919 -8.503 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.235 -11.776 -7.522 1.00 0.00 H new ATOM 477 N HIS A 32 5.259 -11.626 -6.185 1.00 0.00 N ATOM 478 CA HIS A 32 4.150 -12.458 -5.637 1.00 0.00 C ATOM 479 C HIS A 32 2.800 -11.897 -6.093 1.00 0.00 C ATOM 480 O HIS A 32 2.697 -10.747 -6.477 1.00 0.00 O ATOM 481 CB HIS A 32 4.284 -12.341 -4.119 1.00 0.00 C ATOM 482 CG HIS A 32 5.567 -12.986 -3.664 1.00 0.00 C ATOM 483 ND1 HIS A 32 5.985 -14.224 -4.131 1.00 0.00 N ATOM 484 CD2 HIS A 32 6.535 -12.571 -2.786 1.00 0.00 C ATOM 485 CE1 HIS A 32 7.160 -14.504 -3.537 1.00 0.00 C ATOM 486 NE2 HIS A 32 7.540 -13.530 -2.708 1.00 0.00 N ATOM 0 H HIS A 32 5.235 -10.644 -5.909 1.00 0.00 H new ATOM 0 HA HIS A 32 4.202 -13.493 -5.976 1.00 0.00 H new ATOM 0 HB2 HIS A 32 4.270 -11.292 -3.824 1.00 0.00 H new ATOM 0 HB3 HIS A 32 3.434 -12.820 -3.633 1.00 0.00 H new ATOM 0 HD1 HIS A 32 5.492 -14.814 -4.802 1.00 0.00 H new ATOM 0 HD2 HIS A 32 6.520 -11.641 -2.238 1.00 0.00 H new ATOM 0 HE1 HIS A 32 7.726 -15.407 -3.710 1.00 0.00 H new ATOM 494 N GLU A 33 1.765 -12.696 -6.051 1.00 0.00 N ATOM 495 CA GLU A 33 0.423 -12.201 -6.483 1.00 0.00 C ATOM 496 C GLU A 33 -0.299 -11.517 -5.317 1.00 0.00 C ATOM 497 O GLU A 33 -0.456 -12.082 -4.248 1.00 0.00 O ATOM 498 CB GLU A 33 -0.344 -13.445 -6.942 1.00 0.00 C ATOM 499 CG GLU A 33 -0.441 -13.454 -8.471 1.00 0.00 C ATOM 500 CD GLU A 33 -1.911 -13.465 -8.896 1.00 0.00 C ATOM 501 OE1 GLU A 33 -2.510 -12.400 -8.915 1.00 0.00 O ATOM 502 OE2 GLU A 33 -2.411 -14.534 -9.201 1.00 0.00 O ATOM 0 H GLU A 33 1.790 -13.666 -5.738 1.00 0.00 H new ATOM 0 HA GLU A 33 0.501 -11.461 -7.279 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.162 -14.346 -6.594 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.342 -13.451 -6.504 1.00 0.00 H new ATOM 0 HG2 GLU A 33 0.059 -12.577 -8.882 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.070 -14.329 -8.872 1.00 0.00 H new ATOM 509 N CYS A 34 -0.743 -10.305 -5.525 1.00 0.00 N ATOM 510 CA CYS A 34 -1.463 -9.561 -4.450 1.00 0.00 C ATOM 511 C CYS A 34 -2.769 -8.989 -5.005 1.00 0.00 C ATOM 512 O CYS A 34 -2.983 -8.952 -6.203 1.00 0.00 O ATOM 513 CB CYS A 34 -0.523 -8.429 -4.037 1.00 0.00 C ATOM 514 SG CYS A 34 0.753 -9.071 -2.928 1.00 0.00 S ATOM 0 H CYS A 34 -0.636 -9.795 -6.402 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.717 -10.201 -3.605 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.062 -7.986 -4.920 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.086 -7.639 -3.541 1.00 0.00 H new ATOM 519 N LYS A 35 -3.640 -8.539 -4.143 1.00 0.00 N ATOM 520 CA LYS A 35 -4.933 -7.969 -4.615 1.00 0.00 C ATOM 521 C LYS A 35 -5.169 -6.588 -4.002 1.00 0.00 C ATOM 522 O LYS A 35 -5.503 -6.459 -2.840 1.00 0.00 O ATOM 523 CB LYS A 35 -5.998 -8.959 -4.149 1.00 0.00 C ATOM 524 CG LYS A 35 -7.294 -8.726 -4.932 1.00 0.00 C ATOM 525 CD LYS A 35 -7.390 -9.736 -6.076 1.00 0.00 C ATOM 526 CE LYS A 35 -8.716 -9.546 -6.819 1.00 0.00 C ATOM 527 NZ LYS A 35 -8.397 -9.784 -8.256 1.00 0.00 N ATOM 0 H LYS A 35 -3.511 -8.542 -3.131 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.950 -7.834 -5.696 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.649 -9.981 -4.299 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -6.180 -8.837 -3.081 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.154 -8.828 -4.270 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -7.315 -7.710 -5.327 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.554 -9.603 -6.763 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -7.323 -10.751 -5.685 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.471 -10.246 -6.462 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.113 -8.543 -6.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -9.275 -9.974 -8.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.932 -8.942 -8.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.761 -10.602 -8.339 1.00 0.00 H new ATOM 541 N PHE A 36 -5.007 -5.560 -4.785 1.00 0.00 N ATOM 542 CA PHE A 36 -5.226 -4.172 -4.280 1.00 0.00 C ATOM 543 C PHE A 36 -6.520 -3.624 -4.896 1.00 0.00 C ATOM 544 O PHE A 36 -6.780 -3.828 -6.067 1.00 0.00 O ATOM 545 CB PHE A 36 -3.998 -3.396 -4.773 1.00 0.00 C ATOM 546 CG PHE A 36 -3.963 -2.010 -4.170 1.00 0.00 C ATOM 547 CD1 PHE A 36 -4.775 -0.997 -4.693 1.00 0.00 C ATOM 548 CD2 PHE A 36 -3.106 -1.735 -3.098 1.00 0.00 C ATOM 549 CE1 PHE A 36 -4.733 0.288 -4.143 1.00 0.00 C ATOM 550 CE2 PHE A 36 -3.065 -0.450 -2.547 1.00 0.00 C ATOM 551 CZ PHE A 36 -3.879 0.562 -3.070 1.00 0.00 C ATOM 0 H PHE A 36 -4.729 -5.620 -5.765 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.332 -4.104 -3.197 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.090 -3.936 -4.507 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.020 -3.324 -5.860 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.434 -1.208 -5.522 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.476 -2.515 -2.696 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.360 1.069 -4.547 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.406 -0.238 -1.718 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.847 1.554 -2.645 1.00 0.00 H new ATOM 561 N THR A 37 -7.346 -2.954 -4.126 1.00 0.00 N ATOM 562 CA THR A 37 -8.629 -2.428 -4.702 1.00 0.00 C ATOM 563 C THR A 37 -9.054 -1.108 -4.039 1.00 0.00 C ATOM 564 O THR A 37 -8.761 -0.850 -2.886 1.00 0.00 O ATOM 565 CB THR A 37 -9.680 -3.513 -4.419 1.00 0.00 C ATOM 566 OG1 THR A 37 -9.660 -3.855 -3.037 1.00 0.00 O ATOM 567 CG2 THR A 37 -9.387 -4.759 -5.260 1.00 0.00 C ATOM 0 H THR A 37 -7.192 -2.750 -3.138 1.00 0.00 H new ATOM 0 HA THR A 37 -8.516 -2.218 -5.766 1.00 0.00 H new ATOM 0 HB THR A 37 -10.665 -3.128 -4.682 1.00 0.00 H new ATOM 0 HG1 THR A 37 -9.603 -4.829 -2.942 1.00 0.00 H new ATOM 0 HG21 THR A 37 -10.137 -5.522 -5.053 1.00 0.00 H new ATOM 0 HG22 THR A 37 -9.417 -4.499 -6.318 1.00 0.00 H new ATOM 0 HG23 THR A 37 -8.399 -5.144 -5.008 1.00 0.00 H new ATOM 575 N VAL A 38 -9.776 -0.289 -4.768 1.00 0.00 N ATOM 576 CA VAL A 38 -10.274 1.010 -4.213 1.00 0.00 C ATOM 577 C VAL A 38 -11.800 1.064 -4.390 1.00 0.00 C ATOM 578 O VAL A 38 -12.317 0.733 -5.441 1.00 0.00 O ATOM 579 CB VAL A 38 -9.587 2.110 -5.035 1.00 0.00 C ATOM 580 CG1 VAL A 38 -10.047 3.484 -4.537 1.00 0.00 C ATOM 581 CG2 VAL A 38 -8.067 2.002 -4.874 1.00 0.00 C ATOM 0 H VAL A 38 -10.044 -0.468 -5.736 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.053 1.130 -3.152 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.853 1.990 -6.085 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.559 4.265 -5.121 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.128 3.569 -4.650 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -9.782 3.598 -3.486 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.583 2.784 -5.459 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -7.803 2.119 -3.823 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.732 1.026 -5.226 1.00 0.00 H new ATOM 591 N LYS A 39 -12.526 1.453 -3.371 1.00 0.00 N ATOM 592 CA LYS A 39 -14.013 1.494 -3.484 1.00 0.00 C ATOM 593 C LYS A 39 -14.582 2.785 -2.874 1.00 0.00 C ATOM 594 O LYS A 39 -14.418 3.041 -1.694 1.00 0.00 O ATOM 595 CB LYS A 39 -14.515 0.259 -2.711 1.00 0.00 C ATOM 596 CG LYS A 39 -13.709 0.054 -1.416 1.00 0.00 C ATOM 597 CD LYS A 39 -12.488 -0.833 -1.696 1.00 0.00 C ATOM 598 CE LYS A 39 -12.696 -2.219 -1.076 1.00 0.00 C ATOM 599 NZ LYS A 39 -13.198 -3.080 -2.188 1.00 0.00 N ATOM 0 H LYS A 39 -12.152 1.743 -2.468 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.335 1.482 -4.525 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -15.571 0.380 -2.471 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -14.431 -0.627 -3.340 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -13.387 1.018 -1.021 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.338 -0.408 -0.655 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -12.334 -0.926 -2.771 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -11.591 -0.372 -1.284 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -11.765 -2.610 -0.666 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -13.413 -2.179 -0.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -13.362 -4.044 -1.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -14.090 -2.689 -2.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -12.493 -3.107 -2.952 1.00 0.00 H new ATOM 613 N PRO A 40 -15.244 3.560 -3.705 1.00 0.00 N ATOM 614 CA PRO A 40 -15.855 4.833 -3.246 1.00 0.00 C ATOM 615 C PRO A 40 -17.176 4.566 -2.514 1.00 0.00 C ATOM 616 O PRO A 40 -17.838 3.572 -2.754 1.00 0.00 O ATOM 617 CB PRO A 40 -16.107 5.598 -4.540 1.00 0.00 C ATOM 618 CG PRO A 40 -16.229 4.550 -5.605 1.00 0.00 C ATOM 619 CD PRO A 40 -15.476 3.327 -5.137 1.00 0.00 C ATOM 0 HA PRO A 40 -15.222 5.378 -2.546 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -17.015 6.197 -4.472 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -15.288 6.284 -4.756 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -17.277 4.308 -5.785 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -15.819 4.913 -6.547 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -16.054 2.418 -5.302 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -14.536 3.209 -5.677 1.00 0.00 H new ATOM 627 N TYR A 41 -17.571 5.450 -1.630 1.00 0.00 N ATOM 628 CA TYR A 41 -18.852 5.257 -0.888 1.00 0.00 C ATOM 629 C TYR A 41 -19.577 6.592 -0.731 1.00 0.00 C ATOM 630 O TYR A 41 -19.201 7.595 -1.313 1.00 0.00 O ATOM 631 CB TYR A 41 -18.461 4.712 0.487 1.00 0.00 C ATOM 632 CG TYR A 41 -17.954 3.291 0.365 1.00 0.00 C ATOM 633 CD1 TYR A 41 -18.802 2.282 -0.111 1.00 0.00 C ATOM 634 CD2 TYR A 41 -16.641 2.982 0.736 1.00 0.00 C ATOM 635 CE1 TYR A 41 -18.336 0.967 -0.217 1.00 0.00 C ATOM 636 CE2 TYR A 41 -16.175 1.667 0.629 1.00 0.00 C ATOM 637 CZ TYR A 41 -17.022 0.660 0.153 1.00 0.00 C ATOM 638 OH TYR A 41 -16.562 -0.637 0.051 1.00 0.00 O ATOM 0 H TYR A 41 -17.058 6.299 -1.391 1.00 0.00 H new ATOM 0 HA TYR A 41 -19.522 4.579 -1.417 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -17.691 5.343 0.930 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -19.321 4.742 1.156 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -19.816 2.520 -0.396 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -15.987 3.758 1.105 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -18.990 0.190 -0.584 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -15.161 1.429 0.914 1.00 0.00 H new ATOM 0 HH TYR A 41 -17.026 -1.092 -0.683 1.00 0.00 H new ATOM 648 N LEU A 42 -20.614 6.605 0.059 1.00 0.00 N ATOM 649 CA LEU A 42 -21.387 7.861 0.274 1.00 0.00 C ATOM 650 C LEU A 42 -21.981 7.899 1.688 1.00 0.00 C ATOM 651 O LEU A 42 -22.118 6.884 2.346 1.00 0.00 O ATOM 652 CB LEU A 42 -22.500 7.820 -0.775 1.00 0.00 C ATOM 653 CG LEU A 42 -22.846 9.247 -1.215 1.00 0.00 C ATOM 654 CD1 LEU A 42 -22.906 9.312 -2.742 1.00 0.00 C ATOM 655 CD2 LEU A 42 -24.206 9.646 -0.635 1.00 0.00 C ATOM 0 H LEU A 42 -20.962 5.793 0.569 1.00 0.00 H new ATOM 0 HA LEU A 42 -20.761 8.748 0.178 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -22.181 7.231 -1.635 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -23.383 7.331 -0.364 1.00 0.00 H new ATOM 0 HG LEU A 42 -22.080 9.932 -0.852 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -23.152 10.327 -3.054 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -21.938 9.030 -3.156 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -23.671 8.625 -3.106 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -24.452 10.661 -0.948 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -24.971 8.959 -0.997 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -24.164 9.602 0.453 1.00 0.00 H new ATOM 667 N LYS A 43 -22.336 9.069 2.150 1.00 0.00 N ATOM 668 CA LYS A 43 -22.928 9.210 3.513 1.00 0.00 C ATOM 669 C LYS A 43 -24.222 10.029 3.431 1.00 0.00 C ATOM 670 O LYS A 43 -24.592 10.500 2.372 1.00 0.00 O ATOM 671 CB LYS A 43 -21.864 9.955 4.325 1.00 0.00 C ATOM 672 CG LYS A 43 -21.970 9.568 5.805 1.00 0.00 C ATOM 673 CD LYS A 43 -20.787 8.673 6.189 1.00 0.00 C ATOM 674 CE LYS A 43 -20.130 9.205 7.467 1.00 0.00 C ATOM 675 NZ LYS A 43 -18.823 8.497 7.556 1.00 0.00 N ATOM 0 H LYS A 43 -22.240 9.944 1.634 1.00 0.00 H new ATOM 0 HA LYS A 43 -23.184 8.252 3.965 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -20.871 9.713 3.947 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -21.995 11.031 4.211 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -21.978 10.464 6.426 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -22.909 9.045 5.988 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -21.128 7.649 6.343 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -20.059 8.648 5.378 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -19.991 10.285 7.418 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -20.748 9.003 8.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -18.316 8.811 8.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -18.987 7.471 7.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -18.253 8.714 6.714 1.00 0.00 H new ATOM 689 N ARG A 44 -24.906 10.197 4.541 1.00 0.00 N ATOM 690 CA ARG A 44 -26.185 10.985 4.550 1.00 0.00 C ATOM 691 C ARG A 44 -26.059 12.263 3.704 1.00 0.00 C ATOM 692 O ARG A 44 -26.981 12.651 3.010 1.00 0.00 O ATOM 693 CB ARG A 44 -26.425 11.342 6.022 1.00 0.00 C ATOM 694 CG ARG A 44 -27.296 10.265 6.679 1.00 0.00 C ATOM 695 CD ARG A 44 -26.597 9.729 7.935 1.00 0.00 C ATOM 696 NE ARG A 44 -25.777 8.573 7.466 1.00 0.00 N ATOM 697 CZ ARG A 44 -24.832 8.089 8.229 1.00 0.00 C ATOM 698 NH1 ARG A 44 -23.765 8.803 8.482 1.00 0.00 N ATOM 699 NH2 ARG A 44 -24.955 6.891 8.735 1.00 0.00 N ATOM 0 H ARG A 44 -24.631 9.819 5.448 1.00 0.00 H new ATOM 0 HA ARG A 44 -27.008 10.413 4.122 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -25.473 11.423 6.546 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -26.914 12.314 6.096 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -28.269 10.681 6.942 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -27.477 9.451 5.977 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -25.971 10.495 8.394 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -27.323 9.418 8.686 1.00 0.00 H new ATOM 0 HE ARG A 44 -25.954 8.161 6.550 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -23.670 9.737 8.084 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -23.028 8.425 9.077 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -25.787 6.336 8.535 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -24.219 6.511 9.331 1.00 0.00 H new ATOM 713 N PHE A 45 -24.919 12.908 3.751 1.00 0.00 N ATOM 714 CA PHE A 45 -24.712 14.150 2.947 1.00 0.00 C ATOM 715 C PHE A 45 -23.213 14.357 2.676 1.00 0.00 C ATOM 716 O PHE A 45 -22.693 15.450 2.819 1.00 0.00 O ATOM 717 CB PHE A 45 -25.277 15.284 3.813 1.00 0.00 C ATOM 718 CG PHE A 45 -26.384 15.992 3.066 1.00 0.00 C ATOM 719 CD1 PHE A 45 -26.075 16.856 2.008 1.00 0.00 C ATOM 720 CD2 PHE A 45 -27.720 15.783 3.430 1.00 0.00 C ATOM 721 CE1 PHE A 45 -27.100 17.509 1.316 1.00 0.00 C ATOM 722 CE2 PHE A 45 -28.745 16.438 2.737 1.00 0.00 C ATOM 723 CZ PHE A 45 -28.435 17.301 1.680 1.00 0.00 C ATOM 0 H PHE A 45 -24.119 12.624 4.316 1.00 0.00 H new ATOM 0 HA PHE A 45 -25.203 14.106 1.975 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -25.658 14.882 4.752 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -24.486 15.990 4.066 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -25.045 17.018 1.726 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -27.960 15.117 4.245 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -26.861 18.175 0.500 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -29.775 16.277 3.018 1.00 0.00 H new ATOM 0 HZ PHE A 45 -29.226 17.806 1.145 1.00 0.00 H new ATOM 733 N GLN A 46 -22.513 13.315 2.288 1.00 0.00 N ATOM 734 CA GLN A 46 -21.044 13.454 2.012 1.00 0.00 C ATOM 735 C GLN A 46 -20.523 12.273 1.182 1.00 0.00 C ATOM 736 O GLN A 46 -21.211 11.294 0.969 1.00 0.00 O ATOM 737 CB GLN A 46 -20.376 13.459 3.392 1.00 0.00 C ATOM 738 CG GLN A 46 -19.791 14.848 3.678 1.00 0.00 C ATOM 739 CD GLN A 46 -18.323 14.890 3.240 1.00 0.00 C ATOM 740 OE1 GLN A 46 -17.996 14.520 2.130 1.00 0.00 O ATOM 741 NE2 GLN A 46 -17.418 15.332 4.071 1.00 0.00 N ATOM 0 H GLN A 46 -22.893 12.378 2.151 1.00 0.00 H new ATOM 0 HA GLN A 46 -20.830 14.357 1.441 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -21.103 13.195 4.160 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -19.588 12.707 3.428 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -20.361 15.610 3.146 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -19.870 15.075 4.741 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -17.690 15.643 5.003 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -16.439 15.366 3.788 1.00 0.00 H new ATOM 750 N VAL A 47 -19.300 12.364 0.722 1.00 0.00 N ATOM 751 CA VAL A 47 -18.702 11.256 -0.086 1.00 0.00 C ATOM 752 C VAL A 47 -17.431 10.751 0.606 1.00 0.00 C ATOM 753 O VAL A 47 -16.598 11.530 1.033 1.00 0.00 O ATOM 754 CB VAL A 47 -18.373 11.878 -1.448 1.00 0.00 C ATOM 755 CG1 VAL A 47 -17.778 10.810 -2.369 1.00 0.00 C ATOM 756 CG2 VAL A 47 -19.652 12.434 -2.081 1.00 0.00 C ATOM 0 H VAL A 47 -18.686 13.164 0.873 1.00 0.00 H new ATOM 0 HA VAL A 47 -19.374 10.404 -0.194 1.00 0.00 H new ATOM 0 HB VAL A 47 -17.653 12.685 -1.310 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -17.545 11.253 -3.337 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -16.867 10.412 -1.923 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -18.499 10.003 -2.504 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -19.416 12.876 -3.049 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -20.372 11.627 -2.216 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -20.079 13.196 -1.429 1.00 0.00 H new ATOM 766 N TYR A 48 -17.278 9.455 0.728 1.00 0.00 N ATOM 767 CA TYR A 48 -16.062 8.905 1.402 1.00 0.00 C ATOM 768 C TYR A 48 -15.424 7.818 0.534 1.00 0.00 C ATOM 769 O TYR A 48 -16.067 6.856 0.161 1.00 0.00 O ATOM 770 CB TYR A 48 -16.568 8.319 2.724 1.00 0.00 C ATOM 771 CG TYR A 48 -16.889 9.442 3.687 1.00 0.00 C ATOM 772 CD1 TYR A 48 -15.857 10.080 4.387 1.00 0.00 C ATOM 773 CD2 TYR A 48 -18.218 9.844 3.879 1.00 0.00 C ATOM 774 CE1 TYR A 48 -16.155 11.119 5.277 1.00 0.00 C ATOM 775 CE2 TYR A 48 -18.512 10.882 4.769 1.00 0.00 C ATOM 776 CZ TYR A 48 -17.482 11.520 5.467 1.00 0.00 C ATOM 777 OH TYR A 48 -17.774 12.544 6.344 1.00 0.00 O ATOM 0 H TYR A 48 -17.941 8.757 0.391 1.00 0.00 H new ATOM 0 HA TYR A 48 -15.299 9.666 1.565 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -17.456 7.712 2.548 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -15.813 7.662 3.155 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -14.833 9.771 4.240 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -19.014 9.352 3.340 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -15.360 11.611 5.817 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -19.536 11.191 4.917 1.00 0.00 H new ATOM 0 HH TYR A 48 -18.742 12.698 6.357 1.00 0.00 H new ATOM 787 N TYR A 49 -14.164 7.965 0.212 1.00 0.00 N ATOM 788 CA TYR A 49 -13.479 6.944 -0.634 1.00 0.00 C ATOM 789 C TYR A 49 -12.675 5.978 0.244 1.00 0.00 C ATOM 790 O TYR A 49 -11.951 6.389 1.132 1.00 0.00 O ATOM 791 CB TYR A 49 -12.547 7.744 -1.552 1.00 0.00 C ATOM 792 CG TYR A 49 -13.254 8.085 -2.849 1.00 0.00 C ATOM 793 CD1 TYR A 49 -14.547 8.627 -2.833 1.00 0.00 C ATOM 794 CD2 TYR A 49 -12.606 7.868 -4.071 1.00 0.00 C ATOM 795 CE1 TYR A 49 -15.189 8.947 -4.036 1.00 0.00 C ATOM 796 CE2 TYR A 49 -13.246 8.190 -5.273 1.00 0.00 C ATOM 797 CZ TYR A 49 -14.539 8.729 -5.257 1.00 0.00 C ATOM 798 OH TYR A 49 -15.174 9.050 -6.441 1.00 0.00 O ATOM 0 H TYR A 49 -13.580 8.750 0.500 1.00 0.00 H new ATOM 0 HA TYR A 49 -14.186 6.339 -1.202 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -12.229 8.659 -1.051 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -11.647 7.166 -1.761 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -15.049 8.798 -1.892 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -11.610 7.451 -4.086 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -16.186 9.362 -4.022 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -12.743 8.023 -6.214 1.00 0.00 H new ATOM 0 HH TYR A 49 -14.586 8.838 -7.196 1.00 0.00 H new ATOM 808 N LYS A 50 -12.795 4.701 -0.001 1.00 0.00 N ATOM 809 CA LYS A 50 -12.037 3.706 0.812 1.00 0.00 C ATOM 810 C LYS A 50 -11.160 2.844 -0.097 1.00 0.00 C ATOM 811 O LYS A 50 -11.337 2.817 -1.299 1.00 0.00 O ATOM 812 CB LYS A 50 -13.104 2.849 1.497 1.00 0.00 C ATOM 813 CG LYS A 50 -13.102 3.126 3.004 1.00 0.00 C ATOM 814 CD LYS A 50 -12.736 1.846 3.761 1.00 0.00 C ATOM 815 CE LYS A 50 -13.134 1.990 5.235 1.00 0.00 C ATOM 816 NZ LYS A 50 -13.412 0.602 5.704 1.00 0.00 N ATOM 0 H LYS A 50 -13.386 4.303 -0.731 1.00 0.00 H new ATOM 0 HA LYS A 50 -11.376 4.184 1.535 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -14.086 3.071 1.078 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -12.909 1.793 1.312 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.388 3.916 3.238 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -14.083 3.480 3.320 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -13.246 0.991 3.318 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -11.666 1.656 3.679 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -12.334 2.449 5.816 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -14.012 2.626 5.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -13.691 0.623 6.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -14.183 0.192 5.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -12.556 0.021 5.595 1.00 0.00 H new ATOM 830 N GLY A 51 -10.217 2.145 0.470 1.00 0.00 N ATOM 831 CA GLY A 51 -9.327 1.280 -0.355 1.00 0.00 C ATOM 832 C GLY A 51 -8.734 0.178 0.520 1.00 0.00 C ATOM 833 O GLY A 51 -8.298 0.423 1.630 1.00 0.00 O ATOM 0 H GLY A 51 -10.023 2.135 1.471 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.890 0.841 -1.179 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.529 1.877 -0.797 1.00 0.00 H new ATOM 837 N ARG A 52 -8.719 -1.036 0.030 1.00 0.00 N ATOM 838 CA ARG A 52 -8.157 -2.161 0.832 1.00 0.00 C ATOM 839 C ARG A 52 -7.326 -3.090 -0.059 1.00 0.00 C ATOM 840 O ARG A 52 -7.647 -3.309 -1.212 1.00 0.00 O ATOM 841 CB ARG A 52 -9.379 -2.899 1.385 1.00 0.00 C ATOM 842 CG ARG A 52 -8.930 -3.931 2.424 1.00 0.00 C ATOM 843 CD ARG A 52 -9.972 -4.016 3.545 1.00 0.00 C ATOM 844 NE ARG A 52 -10.585 -5.366 3.404 1.00 0.00 N ATOM 845 CZ ARG A 52 -11.439 -5.603 2.445 1.00 0.00 C ATOM 846 NH1 ARG A 52 -12.622 -5.046 2.469 1.00 0.00 N ATOM 847 NH2 ARG A 52 -11.106 -6.393 1.460 1.00 0.00 N ATOM 0 H ARG A 52 -9.072 -1.295 -0.891 1.00 0.00 H new ATOM 0 HA ARG A 52 -7.495 -1.812 1.625 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.071 -2.189 1.838 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -9.915 -3.393 0.575 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.807 -4.906 1.953 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.960 -3.650 2.835 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -9.509 -3.894 4.524 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -10.721 -3.231 3.447 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.337 -6.108 4.059 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -12.878 -4.426 3.237 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -13.288 -5.232 1.719 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -10.181 -6.823 1.441 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -11.771 -6.580 0.709 1.00 0.00 H new ATOM 861 N MET A 53 -6.262 -3.642 0.468 1.00 0.00 N ATOM 862 CA MET A 53 -5.413 -4.563 -0.345 1.00 0.00 C ATOM 863 C MET A 53 -4.940 -5.745 0.510 1.00 0.00 C ATOM 864 O MET A 53 -4.741 -5.623 1.707 1.00 0.00 O ATOM 865 CB MET A 53 -4.228 -3.720 -0.832 1.00 0.00 C ATOM 866 CG MET A 53 -3.260 -3.433 0.322 1.00 0.00 C ATOM 867 SD MET A 53 -1.879 -4.600 0.257 1.00 0.00 S ATOM 868 CE MET A 53 -0.810 -3.634 -0.839 1.00 0.00 C ATOM 0 H MET A 53 -5.945 -3.494 1.426 1.00 0.00 H new ATOM 0 HA MET A 53 -5.962 -4.987 -1.186 1.00 0.00 H new ATOM 0 HB2 MET A 53 -3.705 -4.246 -1.631 1.00 0.00 H new ATOM 0 HB3 MET A 53 -4.590 -2.782 -1.252 1.00 0.00 H new ATOM 0 HG2 MET A 53 -2.889 -2.410 0.254 1.00 0.00 H new ATOM 0 HG3 MET A 53 -3.779 -3.521 1.276 1.00 0.00 H new ATOM 0 HE1 MET A 53 0.223 -3.712 -0.501 1.00 0.00 H new ATOM 0 HE2 MET A 53 -0.890 -4.018 -1.856 1.00 0.00 H new ATOM 0 HE3 MET A 53 -1.119 -2.589 -0.821 1.00 0.00 H new ATOM 878 N TRP A 54 -4.759 -6.886 -0.103 1.00 0.00 N ATOM 879 CA TRP A 54 -4.297 -8.093 0.655 1.00 0.00 C ATOM 880 C TRP A 54 -3.524 -9.041 -0.269 1.00 0.00 C ATOM 881 O TRP A 54 -3.812 -9.145 -1.446 1.00 0.00 O ATOM 882 CB TRP A 54 -5.573 -8.760 1.197 1.00 0.00 C ATOM 883 CG TRP A 54 -6.543 -9.041 0.086 1.00 0.00 C ATOM 884 CD1 TRP A 54 -6.627 -10.203 -0.605 1.00 0.00 C ATOM 885 CD2 TRP A 54 -7.566 -8.161 -0.470 1.00 0.00 C ATOM 886 NE1 TRP A 54 -7.638 -10.094 -1.543 1.00 0.00 N ATOM 887 CE2 TRP A 54 -8.243 -8.853 -1.500 1.00 0.00 C ATOM 888 CE3 TRP A 54 -7.965 -6.843 -0.183 1.00 0.00 C ATOM 889 CZ2 TRP A 54 -9.282 -8.259 -2.219 1.00 0.00 C ATOM 890 CZ3 TRP A 54 -9.008 -6.241 -0.904 1.00 0.00 C ATOM 891 CH2 TRP A 54 -9.666 -6.948 -1.920 1.00 0.00 C ATOM 0 H TRP A 54 -4.911 -7.037 -1.100 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.618 -7.829 1.466 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -5.315 -9.690 1.704 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -6.040 -8.112 1.938 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -6.006 -11.073 -0.449 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -7.904 -10.839 -2.187 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -7.465 -6.290 0.598 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -9.786 -8.808 -3.001 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -9.305 -5.228 -0.675 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -10.469 -6.481 -2.471 1.00 0.00 H new ATOM 902 N CYS A 55 -2.536 -9.727 0.254 1.00 0.00 N ATOM 903 CA CYS A 55 -1.733 -10.659 -0.597 1.00 0.00 C ATOM 904 C CYS A 55 -1.971 -12.120 -0.187 1.00 0.00 C ATOM 905 O CYS A 55 -1.253 -12.652 0.639 1.00 0.00 O ATOM 906 CB CYS A 55 -0.274 -10.267 -0.354 1.00 0.00 C ATOM 907 SG CYS A 55 0.052 -8.643 -1.083 1.00 0.00 S ATOM 0 H CYS A 55 -2.252 -9.681 1.233 1.00 0.00 H new ATOM 0 HA CYS A 55 -2.010 -10.583 -1.649 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -0.067 -10.244 0.716 1.00 0.00 H new ATOM 0 HB3 CYS A 55 0.390 -11.012 -0.791 1.00 0.00 H new ATOM 912 N PRO A 56 -2.970 -12.727 -0.788 1.00 0.00 N ATOM 913 CA PRO A 56 -3.291 -14.144 -0.487 1.00 0.00 C ATOM 914 C PRO A 56 -2.302 -15.078 -1.203 1.00 0.00 C ATOM 915 O PRO A 56 -2.564 -15.573 -2.284 1.00 0.00 O ATOM 916 CB PRO A 56 -4.708 -14.312 -1.030 1.00 0.00 C ATOM 917 CG PRO A 56 -4.854 -13.271 -2.097 1.00 0.00 C ATOM 918 CD PRO A 56 -3.884 -12.156 -1.786 1.00 0.00 C ATOM 0 HA PRO A 56 -3.220 -14.390 0.573 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.857 -15.313 -1.435 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -5.449 -14.174 -0.243 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.645 -13.697 -3.078 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -5.876 -12.892 -2.125 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.347 -11.838 -2.679 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.400 -11.279 -1.395 1.00 0.00 H new ATOM 926 N GLY A 57 -1.161 -15.312 -0.602 1.00 0.00 N ATOM 927 CA GLY A 57 -0.140 -16.201 -1.230 1.00 0.00 C ATOM 928 C GLY A 57 1.257 -15.778 -0.764 1.00 0.00 C ATOM 929 O GLY A 57 2.065 -16.602 -0.378 1.00 0.00 O ATOM 0 H GLY A 57 -0.894 -14.922 0.302 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.328 -17.239 -0.957 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.207 -16.140 -2.316 1.00 0.00 H new ATOM 933 N TRP A 58 1.542 -14.498 -0.795 1.00 0.00 N ATOM 934 CA TRP A 58 2.882 -14.007 -0.351 1.00 0.00 C ATOM 935 C TRP A 58 3.009 -14.131 1.172 1.00 0.00 C ATOM 936 O TRP A 58 3.900 -14.786 1.679 1.00 0.00 O ATOM 937 CB TRP A 58 2.924 -12.531 -0.779 1.00 0.00 C ATOM 938 CG TRP A 58 4.224 -11.896 -0.372 1.00 0.00 C ATOM 939 CD1 TRP A 58 5.319 -12.557 0.078 1.00 0.00 C ATOM 940 CD2 TRP A 58 4.578 -10.482 -0.373 1.00 0.00 C ATOM 941 NE1 TRP A 58 6.314 -11.640 0.355 1.00 0.00 N ATOM 942 CE2 TRP A 58 5.907 -10.348 0.094 1.00 0.00 C ATOM 943 CE3 TRP A 58 3.881 -9.314 -0.728 1.00 0.00 C ATOM 944 CZ2 TRP A 58 6.522 -9.099 0.202 1.00 0.00 C ATOM 945 CZ3 TRP A 58 4.496 -8.056 -0.620 1.00 0.00 C ATOM 946 CH2 TRP A 58 5.814 -7.950 -0.155 1.00 0.00 C ATOM 0 H TRP A 58 0.900 -13.771 -1.110 1.00 0.00 H new ATOM 0 HA TRP A 58 3.701 -14.580 -0.786 1.00 0.00 H new ATOM 0 HB2 TRP A 58 2.800 -12.457 -1.859 1.00 0.00 H new ATOM 0 HB3 TRP A 58 2.092 -11.992 -0.325 1.00 0.00 H new ATOM 0 HD1 TRP A 58 5.400 -13.627 0.200 1.00 0.00 H new ATOM 0 HE1 TRP A 58 7.238 -11.888 0.710 1.00 0.00 H new ATOM 0 HE3 TRP A 58 2.865 -9.385 -1.087 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 7.538 -9.022 0.559 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 3.951 -7.166 -0.897 1.00 0.00 H new ATOM 0 HH2 TRP A 58 6.282 -6.980 -0.073 1.00 0.00 H new ATOM 957 N THR A 59 2.123 -13.502 1.899 1.00 0.00 N ATOM 958 CA THR A 59 2.179 -13.568 3.387 1.00 0.00 C ATOM 959 C THR A 59 0.774 -13.352 3.975 1.00 0.00 C ATOM 960 O THR A 59 -0.222 -13.508 3.293 1.00 0.00 O ATOM 961 CB THR A 59 3.147 -12.441 3.794 1.00 0.00 C ATOM 962 OG1 THR A 59 3.280 -12.411 5.209 1.00 0.00 O ATOM 963 CG2 THR A 59 2.620 -11.089 3.300 1.00 0.00 C ATOM 0 H THR A 59 1.358 -12.942 1.522 1.00 0.00 H new ATOM 0 HA THR A 59 2.519 -14.535 3.758 1.00 0.00 H new ATOM 0 HB THR A 59 4.120 -12.631 3.341 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.898 -11.694 5.464 1.00 0.00 H new ATOM 0 HG21 THR A 59 3.312 -10.300 3.593 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.531 -11.108 2.214 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.642 -10.896 3.741 1.00 0.00 H new ATOM 971 N ALA A 60 0.691 -12.996 5.231 1.00 0.00 N ATOM 972 CA ALA A 60 -0.641 -12.769 5.869 1.00 0.00 C ATOM 973 C ALA A 60 -0.754 -11.316 6.354 1.00 0.00 C ATOM 974 O ALA A 60 -1.158 -11.051 7.471 1.00 0.00 O ATOM 975 CB ALA A 60 -0.684 -13.744 7.050 1.00 0.00 C ATOM 0 H ALA A 60 1.492 -12.852 5.845 1.00 0.00 H new ATOM 0 HA ALA A 60 -1.468 -12.934 5.178 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.634 -13.640 7.573 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.582 -14.765 6.683 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.134 -13.522 7.735 1.00 0.00 H new ATOM 981 N ILE A 61 -0.401 -10.375 5.513 1.00 0.00 N ATOM 982 CA ILE A 61 -0.484 -8.935 5.905 1.00 0.00 C ATOM 983 C ILE A 61 -1.362 -8.172 4.905 1.00 0.00 C ATOM 984 O ILE A 61 -1.451 -8.530 3.744 1.00 0.00 O ATOM 985 CB ILE A 61 0.967 -8.425 5.860 1.00 0.00 C ATOM 986 CG1 ILE A 61 1.757 -9.024 7.031 1.00 0.00 C ATOM 987 CG2 ILE A 61 0.989 -6.896 5.965 1.00 0.00 C ATOM 988 CD1 ILE A 61 3.246 -8.702 6.870 1.00 0.00 C ATOM 0 H ILE A 61 -0.057 -10.544 4.568 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.929 -8.795 6.890 1.00 0.00 H new ATOM 0 HB ILE A 61 1.421 -8.727 4.916 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.388 -8.621 7.974 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.611 -10.104 7.066 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.020 -6.544 5.932 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.432 -6.466 5.132 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.530 -6.589 6.905 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.803 -9.129 7.704 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.611 -9.126 5.935 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.385 -7.621 6.857 1.00 0.00 H new ATOM 1000 N ARG A 62 -2.007 -7.119 5.343 1.00 0.00 N ATOM 1001 CA ARG A 62 -2.869 -6.332 4.413 1.00 0.00 C ATOM 1002 C ARG A 62 -2.712 -4.830 4.660 1.00 0.00 C ATOM 1003 O ARG A 62 -2.114 -4.403 5.630 1.00 0.00 O ATOM 1004 CB ARG A 62 -4.311 -6.775 4.689 1.00 0.00 C ATOM 1005 CG ARG A 62 -4.571 -6.863 6.198 1.00 0.00 C ATOM 1006 CD ARG A 62 -6.058 -7.139 6.440 1.00 0.00 C ATOM 1007 NE ARG A 62 -6.253 -6.968 7.908 1.00 0.00 N ATOM 1008 CZ ARG A 62 -7.458 -6.810 8.391 1.00 0.00 C ATOM 1009 NH1 ARG A 62 -8.158 -7.855 8.748 1.00 0.00 N ATOM 1010 NH2 ARG A 62 -7.959 -5.610 8.516 1.00 0.00 N ATOM 0 H ARG A 62 -1.973 -6.773 6.302 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.589 -6.510 3.375 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.007 -6.069 4.236 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.494 -7.745 4.226 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.966 -7.656 6.637 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.278 -5.932 6.684 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.684 -6.447 5.876 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.329 -8.146 6.121 1.00 0.00 H new ATOM 0 HE ARG A 62 -5.448 -6.974 8.535 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -7.764 -8.791 8.650 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -9.098 -7.735 9.125 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -7.410 -4.797 8.237 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -8.899 -5.486 8.893 1.00 0.00 H new ATOM 1024 N GLY A 63 -3.254 -4.033 3.781 1.00 0.00 N ATOM 1025 CA GLY A 63 -3.157 -2.552 3.935 1.00 0.00 C ATOM 1026 C GLY A 63 -4.508 -1.922 3.605 1.00 0.00 C ATOM 1027 O GLY A 63 -5.082 -2.175 2.563 1.00 0.00 O ATOM 0 H GLY A 63 -3.764 -4.346 2.955 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -2.864 -2.299 4.954 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.386 -2.156 3.274 1.00 0.00 H new ATOM 1031 N GLU A 64 -5.021 -1.108 4.488 1.00 0.00 N ATOM 1032 CA GLU A 64 -6.340 -0.460 4.237 1.00 0.00 C ATOM 1033 C GLU A 64 -6.209 1.065 4.272 1.00 0.00 C ATOM 1034 O GLU A 64 -5.192 1.606 4.667 1.00 0.00 O ATOM 1035 CB GLU A 64 -7.246 -0.949 5.369 1.00 0.00 C ATOM 1036 CG GLU A 64 -7.518 -2.451 5.207 1.00 0.00 C ATOM 1037 CD GLU A 64 -6.634 -3.255 6.167 1.00 0.00 C ATOM 1038 OE1 GLU A 64 -6.889 -3.211 7.360 1.00 0.00 O ATOM 1039 OE2 GLU A 64 -5.725 -3.916 5.691 1.00 0.00 O ATOM 0 H GLU A 64 -4.581 -0.863 5.375 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.739 -0.715 3.255 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.774 -0.758 6.333 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.186 -0.397 5.359 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.569 -2.661 5.406 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.321 -2.755 4.179 1.00 0.00 H new ATOM 1046 N ALA A 65 -7.237 1.758 3.851 1.00 0.00 N ATOM 1047 CA ALA A 65 -7.188 3.255 3.848 1.00 0.00 C ATOM 1048 C ALA A 65 -8.584 3.859 3.643 1.00 0.00 C ATOM 1049 O ALA A 65 -9.472 3.235 3.092 1.00 0.00 O ATOM 1050 CB ALA A 65 -6.283 3.618 2.672 1.00 0.00 C ATOM 0 H ALA A 65 -8.109 1.353 3.509 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.819 3.643 4.798 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.196 4.702 2.601 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.295 3.183 2.825 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.712 3.228 1.749 1.00 0.00 H new ATOM 1056 N SER A 66 -8.771 5.085 4.079 1.00 0.00 N ATOM 1057 CA SER A 66 -10.097 5.763 3.911 1.00 0.00 C ATOM 1058 C SER A 66 -9.916 7.286 3.940 1.00 0.00 C ATOM 1059 O SER A 66 -9.265 7.827 4.816 1.00 0.00 O ATOM 1060 CB SER A 66 -10.969 5.326 5.098 1.00 0.00 C ATOM 1061 OG SER A 66 -10.514 4.082 5.623 1.00 0.00 O ATOM 0 H SER A 66 -8.058 5.646 4.546 1.00 0.00 H new ATOM 0 HA SER A 66 -10.555 5.493 2.959 1.00 0.00 H new ATOM 0 HB2 SER A 66 -10.941 6.088 5.877 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.007 5.234 4.779 1.00 0.00 H new ATOM 0 HG SER A 66 -10.846 3.972 6.538 1.00 0.00 H new ATOM 1067 N THR A 67 -10.500 7.977 2.993 1.00 0.00 N ATOM 1068 CA THR A 67 -10.391 9.475 2.946 1.00 0.00 C ATOM 1069 C THR A 67 -11.256 10.029 1.803 1.00 0.00 C ATOM 1070 O THR A 67 -11.950 9.294 1.127 1.00 0.00 O ATOM 1071 CB THR A 67 -8.901 9.779 2.707 1.00 0.00 C ATOM 1072 OG1 THR A 67 -8.673 11.174 2.873 1.00 0.00 O ATOM 1073 CG2 THR A 67 -8.495 9.359 1.292 1.00 0.00 C ATOM 0 H THR A 67 -11.054 7.566 2.241 1.00 0.00 H new ATOM 0 HA THR A 67 -10.744 9.940 3.866 1.00 0.00 H new ATOM 0 HB THR A 67 -8.303 9.219 3.426 1.00 0.00 H new ATOM 0 HG1 THR A 67 -7.725 11.371 2.723 1.00 0.00 H new ATOM 0 HG21 THR A 67 -7.439 9.579 1.136 1.00 0.00 H new ATOM 0 HG22 THR A 67 -8.665 8.290 1.167 1.00 0.00 H new ATOM 0 HG23 THR A 67 -9.092 9.909 0.564 1.00 0.00 H new ATOM 1081 N ARG A 68 -11.220 11.319 1.584 1.00 0.00 N ATOM 1082 CA ARG A 68 -12.039 11.916 0.483 1.00 0.00 C ATOM 1083 C ARG A 68 -11.314 11.775 -0.862 1.00 0.00 C ATOM 1084 O ARG A 68 -11.923 11.511 -1.881 1.00 0.00 O ATOM 1085 CB ARG A 68 -12.221 13.394 0.861 1.00 0.00 C ATOM 1086 CG ARG A 68 -10.899 14.159 0.730 1.00 0.00 C ATOM 1087 CD ARG A 68 -11.056 15.557 1.336 1.00 0.00 C ATOM 1088 NE ARG A 68 -10.379 15.488 2.663 1.00 0.00 N ATOM 1089 CZ ARG A 68 -9.926 16.578 3.221 1.00 0.00 C ATOM 1090 NH1 ARG A 68 -8.724 17.006 2.933 1.00 0.00 N ATOM 1091 NH2 ARG A 68 -10.675 17.237 4.065 1.00 0.00 N ATOM 0 H ARG A 68 -10.661 11.984 2.118 1.00 0.00 H new ATOM 0 HA ARG A 68 -13.000 11.414 0.371 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -12.974 13.848 0.217 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -12.589 13.469 1.884 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -10.101 13.618 1.239 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -10.613 14.236 -0.319 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -10.599 16.315 0.700 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -12.107 15.823 1.444 1.00 0.00 H new ATOM 0 HE ARG A 68 -10.270 14.590 3.134 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -8.143 16.488 2.274 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.368 17.857 3.368 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -11.612 16.900 4.287 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -10.323 18.089 4.502 1.00 0.00 H new ATOM 1105 N SER A 69 -10.019 11.954 -0.865 1.00 0.00 N ATOM 1106 CA SER A 69 -9.234 11.838 -2.136 1.00 0.00 C ATOM 1107 C SER A 69 -9.217 10.384 -2.630 1.00 0.00 C ATOM 1108 O SER A 69 -9.014 9.460 -1.865 1.00 0.00 O ATOM 1109 CB SER A 69 -7.806 12.293 -1.799 1.00 0.00 C ATOM 1110 OG SER A 69 -7.793 13.003 -0.563 1.00 0.00 O ATOM 0 H SER A 69 -9.465 12.177 -0.038 1.00 0.00 H new ATOM 0 HA SER A 69 -9.676 12.445 -2.926 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.146 11.428 -1.736 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.422 12.929 -2.596 1.00 0.00 H new ATOM 0 HG SER A 69 -6.877 13.286 -0.358 1.00 0.00 H new ATOM 1116 N GLN A 70 -9.423 10.185 -3.908 1.00 0.00 N ATOM 1117 CA GLN A 70 -9.416 8.796 -4.469 1.00 0.00 C ATOM 1118 C GLN A 70 -7.977 8.266 -4.587 1.00 0.00 C ATOM 1119 O GLN A 70 -7.725 7.093 -4.391 1.00 0.00 O ATOM 1120 CB GLN A 70 -10.085 8.898 -5.849 1.00 0.00 C ATOM 1121 CG GLN A 70 -9.249 9.770 -6.792 1.00 0.00 C ATOM 1122 CD GLN A 70 -9.956 9.880 -8.145 1.00 0.00 C ATOM 1123 OE1 GLN A 70 -10.426 10.938 -8.512 1.00 0.00 O ATOM 1124 NE2 GLN A 70 -10.052 8.826 -8.909 1.00 0.00 N ATOM 0 H GLN A 70 -9.596 10.924 -4.589 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.949 8.098 -3.824 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -10.204 7.902 -6.276 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -11.084 9.321 -5.744 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -9.110 10.761 -6.361 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -8.257 9.337 -6.922 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -9.658 7.936 -8.603 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -10.521 8.892 -9.812 1.00 0.00 H new ATOM 1133 N SER A 71 -7.031 9.121 -4.896 1.00 0.00 N ATOM 1134 CA SER A 71 -5.614 8.666 -5.013 1.00 0.00 C ATOM 1135 C SER A 71 -4.970 8.601 -3.624 1.00 0.00 C ATOM 1136 O SER A 71 -4.144 7.750 -3.356 1.00 0.00 O ATOM 1137 CB SER A 71 -4.919 9.717 -5.880 1.00 0.00 C ATOM 1138 OG SER A 71 -5.404 9.620 -7.212 1.00 0.00 O ATOM 0 H SER A 71 -7.182 10.114 -5.072 1.00 0.00 H new ATOM 0 HA SER A 71 -5.536 7.671 -5.451 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.107 10.715 -5.484 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.840 9.565 -5.861 1.00 0.00 H new ATOM 0 HG SER A 71 -4.962 10.293 -7.771 1.00 0.00 H new ATOM 1144 N GLY A 72 -5.348 9.494 -2.739 1.00 0.00 N ATOM 1145 CA GLY A 72 -4.770 9.491 -1.362 1.00 0.00 C ATOM 1146 C GLY A 72 -5.067 8.154 -0.676 1.00 0.00 C ATOM 1147 O GLY A 72 -4.246 7.635 0.057 1.00 0.00 O ATOM 0 H GLY A 72 -6.035 10.227 -2.915 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.693 9.654 -1.410 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.191 10.310 -0.779 1.00 0.00 H new ATOM 1151 N VAL A 73 -6.228 7.585 -0.912 1.00 0.00 N ATOM 1152 CA VAL A 73 -6.559 6.275 -0.273 1.00 0.00 C ATOM 1153 C VAL A 73 -5.699 5.159 -0.886 1.00 0.00 C ATOM 1154 O VAL A 73 -5.287 4.242 -0.204 1.00 0.00 O ATOM 1155 CB VAL A 73 -8.062 6.047 -0.534 1.00 0.00 C ATOM 1156 CG1 VAL A 73 -8.279 5.249 -1.825 1.00 0.00 C ATOM 1157 CG2 VAL A 73 -8.661 5.269 0.639 1.00 0.00 C ATOM 0 H VAL A 73 -6.954 7.970 -1.516 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.351 6.273 0.797 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.548 7.017 -0.637 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -9.347 5.102 -1.986 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.857 5.798 -2.667 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -7.788 4.280 -1.741 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -9.724 5.104 0.461 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -8.156 4.308 0.734 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -8.531 5.840 1.558 1.00 0.00 H new ATOM 1167 N ALA A 74 -5.414 5.236 -2.166 1.00 0.00 N ATOM 1168 CA ALA A 74 -4.572 4.183 -2.811 1.00 0.00 C ATOM 1169 C ALA A 74 -3.157 4.214 -2.225 1.00 0.00 C ATOM 1170 O ALA A 74 -2.570 3.184 -1.955 1.00 0.00 O ATOM 1171 CB ALA A 74 -4.554 4.530 -4.303 1.00 0.00 C ATOM 0 H ALA A 74 -5.728 5.981 -2.788 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.964 3.180 -2.642 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.952 3.797 -4.840 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.572 4.518 -4.692 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.124 5.522 -4.441 1.00 0.00 H new ATOM 1177 N GLY A 75 -2.612 5.386 -2.012 1.00 0.00 N ATOM 1178 CA GLY A 75 -1.247 5.481 -1.424 1.00 0.00 C ATOM 1179 C GLY A 75 -1.283 4.960 0.015 1.00 0.00 C ATOM 1180 O GLY A 75 -0.378 4.281 0.455 1.00 0.00 O ATOM 0 H GLY A 75 -3.056 6.280 -2.221 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.541 4.899 -2.017 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.902 6.515 -1.441 1.00 0.00 H new ATOM 1184 N LYS A 76 -2.329 5.269 0.744 1.00 0.00 N ATOM 1185 CA LYS A 76 -2.439 4.787 2.151 1.00 0.00 C ATOM 1186 C LYS A 76 -2.615 3.263 2.182 1.00 0.00 C ATOM 1187 O LYS A 76 -1.996 2.586 2.976 1.00 0.00 O ATOM 1188 CB LYS A 76 -3.678 5.480 2.725 1.00 0.00 C ATOM 1189 CG LYS A 76 -3.253 6.671 3.587 1.00 0.00 C ATOM 1190 CD LYS A 76 -4.224 6.827 4.762 1.00 0.00 C ATOM 1191 CE LYS A 76 -3.794 5.911 5.915 1.00 0.00 C ATOM 1192 NZ LYS A 76 -4.925 4.955 6.103 1.00 0.00 N ATOM 0 H LYS A 76 -3.112 5.837 0.421 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.544 5.016 2.729 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.325 5.818 1.915 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -4.256 4.775 3.322 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.239 6.521 3.957 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.242 7.581 2.988 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -4.241 7.864 5.096 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -5.237 6.577 4.445 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.870 5.385 5.675 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -3.608 6.484 6.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -4.860 4.522 7.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -5.828 5.464 6.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -4.876 4.212 5.377 1.00 0.00 H new ATOM 1206 N THR A 77 -3.444 2.715 1.320 1.00 0.00 N ATOM 1207 CA THR A 77 -3.639 1.228 1.310 1.00 0.00 C ATOM 1208 C THR A 77 -2.295 0.535 1.051 1.00 0.00 C ATOM 1209 O THR A 77 -2.006 -0.509 1.607 1.00 0.00 O ATOM 1210 CB THR A 77 -4.634 0.945 0.173 1.00 0.00 C ATOM 1211 OG1 THR A 77 -5.858 1.620 0.425 1.00 0.00 O ATOM 1212 CG2 THR A 77 -4.907 -0.557 0.076 1.00 0.00 C ATOM 0 H THR A 77 -3.990 3.230 0.629 1.00 0.00 H new ATOM 0 HA THR A 77 -4.017 0.853 2.261 1.00 0.00 H new ATOM 0 HB THR A 77 -4.203 1.299 -0.764 1.00 0.00 H new ATOM 0 HG1 THR A 77 -5.798 2.541 0.095 1.00 0.00 H new ATOM 0 HG21 THR A 77 -5.613 -0.747 -0.732 1.00 0.00 H new ATOM 0 HG22 THR A 77 -3.974 -1.084 -0.125 1.00 0.00 H new ATOM 0 HG23 THR A 77 -5.328 -0.912 1.017 1.00 0.00 H new ATOM 1220 N ALA A 78 -1.469 1.120 0.222 1.00 0.00 N ATOM 1221 CA ALA A 78 -0.139 0.514 -0.064 1.00 0.00 C ATOM 1222 C ALA A 78 0.842 0.851 1.067 1.00 0.00 C ATOM 1223 O ALA A 78 1.710 0.068 1.397 1.00 0.00 O ATOM 1224 CB ALA A 78 0.310 1.149 -1.382 1.00 0.00 C ATOM 0 H ALA A 78 -1.661 1.993 -0.269 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.180 -0.573 -0.135 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.286 0.753 -1.663 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.414 0.917 -2.163 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.378 2.230 -1.260 1.00 0.00 H new ATOM 1230 N LYS A 79 0.698 2.009 1.670 1.00 0.00 N ATOM 1231 CA LYS A 79 1.608 2.398 2.788 1.00 0.00 C ATOM 1232 C LYS A 79 1.227 1.641 4.065 1.00 0.00 C ATOM 1233 O LYS A 79 2.082 1.282 4.852 1.00 0.00 O ATOM 1234 CB LYS A 79 1.403 3.905 2.970 1.00 0.00 C ATOM 1235 CG LYS A 79 2.732 4.563 3.345 1.00 0.00 C ATOM 1236 CD LYS A 79 2.600 6.085 3.234 1.00 0.00 C ATOM 1237 CE LYS A 79 2.387 6.688 4.627 1.00 0.00 C ATOM 1238 NZ LYS A 79 0.908 6.740 4.814 1.00 0.00 N ATOM 0 H LYS A 79 -0.013 2.701 1.433 1.00 0.00 H new ATOM 0 HA LYS A 79 2.649 2.157 2.575 1.00 0.00 H new ATOM 0 HB2 LYS A 79 1.016 4.343 2.050 1.00 0.00 H new ATOM 0 HB3 LYS A 79 0.662 4.090 3.748 1.00 0.00 H new ATOM 0 HG2 LYS A 79 3.013 4.285 4.361 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.524 4.207 2.686 1.00 0.00 H new ATOM 0 HD2 LYS A 79 3.497 6.505 2.778 1.00 0.00 H new ATOM 0 HD3 LYS A 79 1.763 6.341 2.585 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.859 6.077 5.396 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.827 7.683 4.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 0.590 7.730 4.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 0.443 6.211 4.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 0.659 6.315 5.730 1.00 0.00 H new ATOM 1252 N ASP A 80 -0.045 1.385 4.270 1.00 0.00 N ATOM 1253 CA ASP A 80 -0.475 0.635 5.490 1.00 0.00 C ATOM 1254 C ASP A 80 0.034 -0.808 5.413 1.00 0.00 C ATOM 1255 O ASP A 80 0.480 -1.367 6.396 1.00 0.00 O ATOM 1256 CB ASP A 80 -2.010 0.670 5.483 1.00 0.00 C ATOM 1257 CG ASP A 80 -2.512 1.929 6.203 1.00 0.00 C ATOM 1258 OD1 ASP A 80 -2.314 3.012 5.675 1.00 0.00 O ATOM 1259 OD2 ASP A 80 -3.096 1.788 7.264 1.00 0.00 O ATOM 0 H ASP A 80 -0.801 1.664 3.645 1.00 0.00 H new ATOM 0 HA ASP A 80 -0.076 1.074 6.405 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.377 0.658 4.457 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -2.404 -0.220 5.973 1.00 0.00 H new ATOM 1264 N PHE A 81 -0.008 -1.408 4.245 1.00 0.00 N ATOM 1265 CA PHE A 81 0.499 -2.806 4.105 1.00 0.00 C ATOM 1266 C PHE A 81 2.025 -2.802 4.246 1.00 0.00 C ATOM 1267 O PHE A 81 2.604 -3.687 4.847 1.00 0.00 O ATOM 1268 CB PHE A 81 0.075 -3.251 2.699 1.00 0.00 C ATOM 1269 CG PHE A 81 0.777 -4.540 2.328 1.00 0.00 C ATOM 1270 CD1 PHE A 81 0.243 -5.770 2.727 1.00 0.00 C ATOM 1271 CD2 PHE A 81 1.962 -4.501 1.582 1.00 0.00 C ATOM 1272 CE1 PHE A 81 0.893 -6.961 2.381 1.00 0.00 C ATOM 1273 CE2 PHE A 81 2.611 -5.691 1.237 1.00 0.00 C ATOM 1274 CZ PHE A 81 2.076 -6.921 1.636 1.00 0.00 C ATOM 0 H PHE A 81 -0.370 -0.990 3.388 1.00 0.00 H new ATOM 0 HA PHE A 81 0.104 -3.480 4.865 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -1.005 -3.393 2.664 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.318 -2.474 1.974 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -0.671 -5.801 3.302 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.375 -3.552 1.273 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.481 -7.910 2.689 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.525 -5.661 0.663 1.00 0.00 H new ATOM 0 HZ PHE A 81 2.577 -7.840 1.369 1.00 0.00 H new ATOM 1284 N VAL A 82 2.673 -1.801 3.705 1.00 0.00 N ATOM 1285 CA VAL A 82 4.158 -1.718 3.811 1.00 0.00 C ATOM 1286 C VAL A 82 4.558 -1.491 5.270 1.00 0.00 C ATOM 1287 O VAL A 82 5.524 -2.053 5.743 1.00 0.00 O ATOM 1288 CB VAL A 82 4.564 -0.528 2.939 1.00 0.00 C ATOM 1289 CG1 VAL A 82 6.014 -0.133 3.239 1.00 0.00 C ATOM 1290 CG2 VAL A 82 4.440 -0.920 1.465 1.00 0.00 C ATOM 0 H VAL A 82 2.234 -1.036 3.193 1.00 0.00 H new ATOM 0 HA VAL A 82 4.651 -2.633 3.482 1.00 0.00 H new ATOM 0 HB VAL A 82 3.911 0.317 3.154 1.00 0.00 H new ATOM 0 HG11 VAL A 82 6.297 0.715 2.615 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.106 0.143 4.289 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.672 -0.976 3.026 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.728 -0.076 0.839 1.00 0.00 H new ATOM 0 HG22 VAL A 82 5.095 -1.766 1.257 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.409 -1.198 1.248 1.00 0.00 H new ATOM 1300 N ARG A 83 3.818 -0.681 5.991 1.00 0.00 N ATOM 1301 CA ARG A 83 4.162 -0.440 7.423 1.00 0.00 C ATOM 1302 C ARG A 83 4.083 -1.761 8.195 1.00 0.00 C ATOM 1303 O ARG A 83 4.966 -2.088 8.964 1.00 0.00 O ATOM 1304 CB ARG A 83 3.117 0.557 7.935 1.00 0.00 C ATOM 1305 CG ARG A 83 3.717 1.392 9.070 1.00 0.00 C ATOM 1306 CD ARG A 83 2.600 1.864 10.009 1.00 0.00 C ATOM 1307 NE ARG A 83 2.570 3.350 9.868 1.00 0.00 N ATOM 1308 CZ ARG A 83 3.415 4.088 10.536 1.00 0.00 C ATOM 1309 NH1 ARG A 83 3.340 4.148 11.841 1.00 0.00 N ATOM 1310 NH2 ARG A 83 4.335 4.763 9.898 1.00 0.00 N ATOM 0 H ARG A 83 2.997 -0.181 5.650 1.00 0.00 H new ATOM 0 HA ARG A 83 5.172 -0.049 7.550 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.792 1.208 7.123 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.234 0.024 8.289 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.446 0.800 9.624 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.249 2.251 8.661 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.642 1.423 9.734 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.802 1.570 11.039 1.00 0.00 H new ATOM 0 HE ARG A 83 1.889 3.789 9.249 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.622 3.619 12.335 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.000 4.724 12.364 1.00 0.00 H new ATOM 0 HH21 ARG A 83 4.391 4.712 8.881 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.996 5.340 10.417 1.00 0.00 H new ATOM 1324 N LYS A 84 3.046 -2.533 7.973 1.00 0.00 N ATOM 1325 CA LYS A 84 2.927 -3.844 8.678 1.00 0.00 C ATOM 1326 C LYS A 84 4.000 -4.806 8.155 1.00 0.00 C ATOM 1327 O LYS A 84 4.573 -5.575 8.903 1.00 0.00 O ATOM 1328 CB LYS A 84 1.523 -4.360 8.349 1.00 0.00 C ATOM 1329 CG LYS A 84 1.039 -5.281 9.473 1.00 0.00 C ATOM 1330 CD LYS A 84 -0.489 -5.376 9.439 1.00 0.00 C ATOM 1331 CE LYS A 84 -1.079 -4.728 10.698 1.00 0.00 C ATOM 1332 NZ LYS A 84 -1.129 -5.819 11.716 1.00 0.00 N ATOM 0 H LYS A 84 2.281 -2.311 7.336 1.00 0.00 H new ATOM 0 HA LYS A 84 3.071 -3.753 9.755 1.00 0.00 H new ATOM 0 HB2 LYS A 84 0.835 -3.523 8.229 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.535 -4.900 7.402 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.477 -6.272 9.358 1.00 0.00 H new ATOM 0 HG3 LYS A 84 1.368 -4.897 10.438 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.874 -4.878 8.549 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.796 -6.420 9.378 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.460 -3.899 11.040 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -2.073 -4.325 10.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.523 -5.447 12.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.731 -6.592 11.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.168 -6.179 11.887 1.00 0.00 H new ATOM 1346 N ALA A 85 4.286 -4.751 6.876 1.00 0.00 N ATOM 1347 CA ALA A 85 5.334 -5.643 6.293 1.00 0.00 C ATOM 1348 C ALA A 85 6.716 -5.213 6.793 1.00 0.00 C ATOM 1349 O ALA A 85 7.570 -6.036 7.060 1.00 0.00 O ATOM 1350 CB ALA A 85 5.225 -5.460 4.778 1.00 0.00 C ATOM 0 H ALA A 85 3.836 -4.124 6.210 1.00 0.00 H new ATOM 0 HA ALA A 85 5.198 -6.686 6.579 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.966 -6.086 4.282 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.227 -5.748 4.448 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.404 -4.415 4.524 1.00 0.00 H new ATOM 1356 N PHE A 86 6.934 -3.925 6.933 1.00 0.00 N ATOM 1357 CA PHE A 86 8.253 -3.434 7.432 1.00 0.00 C ATOM 1358 C PHE A 86 8.468 -3.904 8.874 1.00 0.00 C ATOM 1359 O PHE A 86 9.551 -4.314 9.245 1.00 0.00 O ATOM 1360 CB PHE A 86 8.169 -1.902 7.382 1.00 0.00 C ATOM 1361 CG PHE A 86 9.211 -1.352 6.432 1.00 0.00 C ATOM 1362 CD1 PHE A 86 10.560 -1.693 6.590 1.00 0.00 C ATOM 1363 CD2 PHE A 86 8.824 -0.492 5.397 1.00 0.00 C ATOM 1364 CE1 PHE A 86 11.521 -1.174 5.715 1.00 0.00 C ATOM 1365 CE2 PHE A 86 9.785 0.028 4.522 1.00 0.00 C ATOM 1366 CZ PHE A 86 11.133 -0.313 4.680 1.00 0.00 C ATOM 0 H PHE A 86 6.253 -3.195 6.722 1.00 0.00 H new ATOM 0 HA PHE A 86 9.083 -3.811 6.834 1.00 0.00 H new ATOM 0 HB2 PHE A 86 7.174 -1.595 7.059 1.00 0.00 H new ATOM 0 HB3 PHE A 86 8.322 -1.489 8.379 1.00 0.00 H new ATOM 0 HD1 PHE A 86 10.859 -2.357 7.388 1.00 0.00 H new ATOM 0 HD2 PHE A 86 7.784 -0.230 5.274 1.00 0.00 H new ATOM 0 HE1 PHE A 86 12.561 -1.437 5.837 1.00 0.00 H new ATOM 0 HE2 PHE A 86 9.486 0.692 3.725 1.00 0.00 H new ATOM 0 HZ PHE A 86 11.874 0.087 4.004 1.00 0.00 H new ATOM 1376 N GLN A 87 7.439 -3.848 9.689 1.00 0.00 N ATOM 1377 CA GLN A 87 7.577 -4.291 11.110 1.00 0.00 C ATOM 1378 C GLN A 87 7.769 -5.817 11.186 1.00 0.00 C ATOM 1379 O GLN A 87 8.480 -6.314 12.037 1.00 0.00 O ATOM 1380 CB GLN A 87 6.270 -3.865 11.790 1.00 0.00 C ATOM 1381 CG GLN A 87 6.358 -2.383 12.179 1.00 0.00 C ATOM 1382 CD GLN A 87 4.968 -1.738 12.108 1.00 0.00 C ATOM 1383 OE1 GLN A 87 4.765 -0.781 11.385 1.00 0.00 O ATOM 1384 NE2 GLN A 87 3.999 -2.216 12.841 1.00 0.00 N ATOM 0 H GLN A 87 6.511 -3.514 9.429 1.00 0.00 H new ATOM 0 HA GLN A 87 8.447 -3.849 11.596 1.00 0.00 H new ATOM 0 HB2 GLN A 87 5.428 -4.026 11.117 1.00 0.00 H new ATOM 0 HB3 GLN A 87 6.092 -4.475 12.676 1.00 0.00 H new ATOM 0 HG2 GLN A 87 6.762 -2.287 13.187 1.00 0.00 H new ATOM 0 HG3 GLN A 87 7.044 -1.863 11.510 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.167 -3.018 13.448 1.00 0.00 H new ATOM 0 HE22 GLN A 87 3.074 -1.787 12.807 1.00 0.00 H new ATOM 1393 N LYS A 88 7.146 -6.559 10.300 1.00 0.00 N ATOM 1394 CA LYS A 88 7.302 -8.048 10.325 1.00 0.00 C ATOM 1395 C LYS A 88 8.679 -8.447 9.776 1.00 0.00 C ATOM 1396 O LYS A 88 9.414 -9.185 10.404 1.00 0.00 O ATOM 1397 CB LYS A 88 6.186 -8.592 9.424 1.00 0.00 C ATOM 1398 CG LYS A 88 5.099 -9.239 10.285 1.00 0.00 C ATOM 1399 CD LYS A 88 4.242 -8.150 10.940 1.00 0.00 C ATOM 1400 CE LYS A 88 4.317 -8.286 12.465 1.00 0.00 C ATOM 1401 NZ LYS A 88 4.069 -6.912 12.991 1.00 0.00 N ATOM 0 H LYS A 88 6.539 -6.199 9.564 1.00 0.00 H new ATOM 0 HA LYS A 88 7.233 -8.448 11.337 1.00 0.00 H new ATOM 0 HB2 LYS A 88 5.760 -7.785 8.829 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.593 -9.323 8.725 1.00 0.00 H new ATOM 0 HG2 LYS A 88 4.474 -9.887 9.671 1.00 0.00 H new ATOM 0 HG3 LYS A 88 5.554 -9.867 11.051 1.00 0.00 H new ATOM 0 HD2 LYS A 88 4.593 -7.164 10.635 1.00 0.00 H new ATOM 0 HD3 LYS A 88 3.208 -8.237 10.607 1.00 0.00 H new ATOM 0 HE2 LYS A 88 3.572 -8.990 12.835 1.00 0.00 H new ATOM 0 HE3 LYS A 88 5.292 -8.659 12.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 4.105 -6.926 14.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 4.798 -6.265 12.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 3.131 -6.586 12.682 1.00 0.00 H new ATOM 1415 N GLY A 89 9.029 -7.963 8.610 1.00 0.00 N ATOM 1416 CA GLY A 89 10.350 -8.303 8.017 1.00 0.00 C ATOM 1417 C GLY A 89 10.162 -8.822 6.588 1.00 0.00 C ATOM 1418 O GLY A 89 10.650 -9.879 6.238 1.00 0.00 O ATOM 0 H GLY A 89 8.450 -7.344 8.043 1.00 0.00 H new ATOM 0 HA2 GLY A 89 10.993 -7.423 8.012 1.00 0.00 H new ATOM 0 HA3 GLY A 89 10.848 -9.058 8.625 1.00 0.00 H new ATOM 1422 N LEU A 90 9.466 -8.085 5.756 1.00 0.00 N ATOM 1423 CA LEU A 90 9.257 -8.537 4.348 1.00 0.00 C ATOM 1424 C LEU A 90 9.950 -7.577 3.375 1.00 0.00 C ATOM 1425 O LEU A 90 10.671 -7.998 2.489 1.00 0.00 O ATOM 1426 CB LEU A 90 7.738 -8.525 4.129 1.00 0.00 C ATOM 1427 CG LEU A 90 7.179 -9.951 4.231 1.00 0.00 C ATOM 1428 CD1 LEU A 90 5.694 -9.943 3.867 1.00 0.00 C ATOM 1429 CD2 LEU A 90 7.926 -10.876 3.262 1.00 0.00 C ATOM 0 H LEU A 90 9.035 -7.191 5.992 1.00 0.00 H new ATOM 0 HA LEU A 90 9.677 -9.527 4.173 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.261 -7.885 4.871 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.507 -8.105 3.150 1.00 0.00 H new ATOM 0 HG LEU A 90 7.310 -10.312 5.251 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.296 -10.955 3.939 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.154 -9.291 4.554 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.571 -9.577 2.848 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.524 -11.886 3.340 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.800 -10.513 2.242 1.00 0.00 H new ATOM 0 HD23 LEU A 90 8.986 -10.887 3.514 1.00 0.00 H new ATOM 1441 N ILE A 91 9.738 -6.292 3.530 1.00 0.00 N ATOM 1442 CA ILE A 91 10.387 -5.313 2.608 1.00 0.00 C ATOM 1443 C ILE A 91 11.569 -4.630 3.312 1.00 0.00 C ATOM 1444 O ILE A 91 11.402 -3.648 4.010 1.00 0.00 O ATOM 1445 CB ILE A 91 9.294 -4.292 2.257 1.00 0.00 C ATOM 1446 CG1 ILE A 91 8.103 -5.011 1.605 1.00 0.00 C ATOM 1447 CG2 ILE A 91 9.859 -3.258 1.278 1.00 0.00 C ATOM 1448 CD1 ILE A 91 6.942 -4.029 1.424 1.00 0.00 C ATOM 0 H ILE A 91 9.146 -5.882 4.252 1.00 0.00 H new ATOM 0 HA ILE A 91 10.785 -5.792 1.713 1.00 0.00 H new ATOM 0 HB ILE A 91 8.961 -3.793 3.167 1.00 0.00 H new ATOM 0 HG12 ILE A 91 8.398 -5.422 0.639 1.00 0.00 H new ATOM 0 HG13 ILE A 91 7.789 -5.850 2.226 1.00 0.00 H new ATOM 0 HG21 ILE A 91 9.085 -2.533 1.028 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.703 -2.744 1.739 1.00 0.00 H new ATOM 0 HG23 ILE A 91 10.192 -3.761 0.370 1.00 0.00 H new ATOM 0 HD11 ILE A 91 6.099 -4.543 0.961 1.00 0.00 H new ATOM 0 HD12 ILE A 91 6.640 -3.640 2.396 1.00 0.00 H new ATOM 0 HD13 ILE A 91 7.259 -3.204 0.785 1.00 0.00 H new ATOM 1460 N SER A 92 12.762 -5.142 3.130 1.00 0.00 N ATOM 1461 CA SER A 92 13.957 -4.518 3.782 1.00 0.00 C ATOM 1462 C SER A 92 14.382 -3.266 3.004 1.00 0.00 C ATOM 1463 O SER A 92 13.789 -2.926 1.997 1.00 0.00 O ATOM 1464 CB SER A 92 15.052 -5.585 3.728 1.00 0.00 C ATOM 1465 OG SER A 92 14.852 -6.515 4.786 1.00 0.00 O ATOM 0 H SER A 92 12.960 -5.964 2.559 1.00 0.00 H new ATOM 0 HA SER A 92 13.753 -4.206 4.806 1.00 0.00 H new ATOM 0 HB2 SER A 92 15.029 -6.099 2.767 1.00 0.00 H new ATOM 0 HB3 SER A 92 16.034 -5.120 3.817 1.00 0.00 H new ATOM 0 HG SER A 92 15.550 -7.202 4.754 1.00 0.00 H new ATOM 1471 N GLN A 93 15.399 -2.576 3.461 1.00 0.00 N ATOM 1472 CA GLN A 93 15.850 -1.341 2.743 1.00 0.00 C ATOM 1473 C GLN A 93 16.397 -1.697 1.354 1.00 0.00 C ATOM 1474 O GLN A 93 15.909 -1.214 0.352 1.00 0.00 O ATOM 1475 CB GLN A 93 16.944 -0.726 3.624 1.00 0.00 C ATOM 1476 CG GLN A 93 16.652 0.763 3.835 1.00 0.00 C ATOM 1477 CD GLN A 93 15.766 0.947 5.071 1.00 0.00 C ATOM 1478 OE1 GLN A 93 16.242 1.330 6.122 1.00 0.00 O ATOM 1479 NE2 GLN A 93 14.487 0.693 4.992 1.00 0.00 N ATOM 0 H GLN A 93 15.935 -2.813 4.296 1.00 0.00 H new ATOM 0 HA GLN A 93 15.029 -0.641 2.584 1.00 0.00 H new ATOM 0 HB2 GLN A 93 16.984 -1.240 4.585 1.00 0.00 H new ATOM 0 HB3 GLN A 93 17.919 -0.853 3.154 1.00 0.00 H new ATOM 0 HG2 GLN A 93 17.585 1.312 3.960 1.00 0.00 H new ATOM 0 HG3 GLN A 93 16.156 1.174 2.956 1.00 0.00 H new ATOM 0 HE21 GLN A 93 14.084 0.372 4.112 1.00 0.00 H new ATOM 0 HE22 GLN A 93 13.891 0.816 5.811 1.00 0.00 H new ATOM 1488 N GLN A 94 17.397 -2.541 1.284 1.00 0.00 N ATOM 1489 CA GLN A 94 17.961 -2.926 -0.050 1.00 0.00 C ATOM 1490 C GLN A 94 16.899 -3.651 -0.882 1.00 0.00 C ATOM 1491 O GLN A 94 16.828 -3.485 -2.087 1.00 0.00 O ATOM 1492 CB GLN A 94 19.158 -3.845 0.247 1.00 0.00 C ATOM 1493 CG GLN A 94 18.684 -5.142 0.916 1.00 0.00 C ATOM 1494 CD GLN A 94 19.843 -5.769 1.695 1.00 0.00 C ATOM 1495 OE1 GLN A 94 19.960 -5.580 2.889 1.00 0.00 O ATOM 1496 NE2 GLN A 94 20.709 -6.517 1.066 1.00 0.00 N ATOM 0 H GLN A 94 17.846 -2.979 2.088 1.00 0.00 H new ATOM 0 HA GLN A 94 18.273 -2.056 -0.627 1.00 0.00 H new ATOM 0 HB2 GLN A 94 19.685 -4.077 -0.679 1.00 0.00 H new ATOM 0 HB3 GLN A 94 19.867 -3.331 0.897 1.00 0.00 H new ATOM 0 HG2 GLN A 94 17.851 -4.934 1.588 1.00 0.00 H new ATOM 0 HG3 GLN A 94 18.319 -5.840 0.162 1.00 0.00 H new ATOM 0 HE21 GLN A 94 20.612 -6.677 0.063 1.00 0.00 H new ATOM 0 HE22 GLN A 94 21.483 -6.942 1.577 1.00 0.00 H new ATOM 1505 N GLU A 95 16.060 -4.436 -0.250 1.00 0.00 N ATOM 1506 CA GLU A 95 14.995 -5.145 -1.011 1.00 0.00 C ATOM 1507 C GLU A 95 13.952 -4.136 -1.492 1.00 0.00 C ATOM 1508 O GLU A 95 13.380 -4.294 -2.546 1.00 0.00 O ATOM 1509 CB GLU A 95 14.375 -6.151 -0.039 1.00 0.00 C ATOM 1510 CG GLU A 95 14.545 -7.568 -0.598 1.00 0.00 C ATOM 1511 CD GLU A 95 13.761 -7.701 -1.910 1.00 0.00 C ATOM 1512 OE1 GLU A 95 14.322 -7.391 -2.950 1.00 0.00 O ATOM 1513 OE2 GLU A 95 12.614 -8.108 -1.852 1.00 0.00 O ATOM 0 H GLU A 95 16.070 -4.613 0.754 1.00 0.00 H new ATOM 0 HA GLU A 95 15.389 -5.652 -1.892 1.00 0.00 H new ATOM 0 HB2 GLU A 95 14.854 -6.073 0.937 1.00 0.00 H new ATOM 0 HB3 GLU A 95 13.318 -5.930 0.106 1.00 0.00 H new ATOM 0 HG2 GLU A 95 15.601 -7.778 -0.771 1.00 0.00 H new ATOM 0 HG3 GLU A 95 14.189 -8.301 0.126 1.00 0.00 H new ATOM 1520 N ALA A 96 13.719 -3.084 -0.736 1.00 0.00 N ATOM 1521 CA ALA A 96 12.729 -2.049 -1.167 1.00 0.00 C ATOM 1522 C ALA A 96 13.180 -1.438 -2.494 1.00 0.00 C ATOM 1523 O ALA A 96 12.380 -1.222 -3.382 1.00 0.00 O ATOM 1524 CB ALA A 96 12.723 -0.996 -0.055 1.00 0.00 C ATOM 0 H ALA A 96 14.173 -2.901 0.159 1.00 0.00 H new ATOM 0 HA ALA A 96 11.732 -2.462 -1.320 1.00 0.00 H new ATOM 0 HB1 ALA A 96 12.017 -0.205 -0.307 1.00 0.00 H new ATOM 0 HB2 ALA A 96 12.427 -1.461 0.885 1.00 0.00 H new ATOM 0 HB3 ALA A 96 13.721 -0.571 0.049 1.00 0.00 H new ATOM 1530 N ASN A 97 14.461 -1.186 -2.648 1.00 0.00 N ATOM 1531 CA ASN A 97 14.961 -0.624 -3.938 1.00 0.00 C ATOM 1532 C ASN A 97 14.700 -1.643 -5.048 1.00 0.00 C ATOM 1533 O ASN A 97 14.180 -1.313 -6.096 1.00 0.00 O ATOM 1534 CB ASN A 97 16.465 -0.404 -3.737 1.00 0.00 C ATOM 1535 CG ASN A 97 17.119 -0.049 -5.075 1.00 0.00 C ATOM 1536 OD1 ASN A 97 16.838 0.986 -5.646 1.00 0.00 O ATOM 1537 ND2 ASN A 97 17.984 -0.870 -5.607 1.00 0.00 N ATOM 0 H ASN A 97 15.175 -1.346 -1.938 1.00 0.00 H new ATOM 0 HA ASN A 97 14.468 0.308 -4.217 1.00 0.00 H new ATOM 0 HB2 ASN A 97 16.632 0.396 -3.016 1.00 0.00 H new ATOM 0 HB3 ASN A 97 16.922 -1.304 -3.326 1.00 0.00 H new ATOM 0 HD21 ASN A 97 18.422 -0.642 -6.500 1.00 0.00 H new ATOM 0 HD22 ASN A 97 18.222 -1.740 -5.130 1.00 0.00 H new ATOM 1544 N GLN A 98 15.029 -2.890 -4.805 1.00 0.00 N ATOM 1545 CA GLN A 98 14.766 -3.946 -5.832 1.00 0.00 C ATOM 1546 C GLN A 98 13.251 -4.104 -6.007 1.00 0.00 C ATOM 1547 O GLN A 98 12.757 -4.304 -7.099 1.00 0.00 O ATOM 1548 CB GLN A 98 15.379 -5.231 -5.263 1.00 0.00 C ATOM 1549 CG GLN A 98 16.641 -5.596 -6.050 1.00 0.00 C ATOM 1550 CD GLN A 98 17.558 -6.466 -5.182 1.00 0.00 C ATOM 1551 OE1 GLN A 98 17.108 -7.118 -4.261 1.00 0.00 O ATOM 1552 NE2 GLN A 98 18.835 -6.506 -5.441 1.00 0.00 N ATOM 0 H GLN A 98 15.466 -3.220 -3.944 1.00 0.00 H new ATOM 0 HA GLN A 98 15.192 -3.703 -6.806 1.00 0.00 H new ATOM 0 HB2 GLN A 98 15.623 -5.093 -4.210 1.00 0.00 H new ATOM 0 HB3 GLN A 98 14.656 -6.045 -5.319 1.00 0.00 H new ATOM 0 HG2 GLN A 98 16.371 -6.131 -6.961 1.00 0.00 H new ATOM 0 HG3 GLN A 98 17.165 -4.691 -6.356 1.00 0.00 H new ATOM 0 HE21 GLN A 98 19.216 -5.960 -6.214 1.00 0.00 H new ATOM 0 HE22 GLN A 98 19.453 -7.084 -4.871 1.00 0.00 H new ATOM 1561 N TRP A 99 12.522 -3.996 -4.924 1.00 0.00 N ATOM 1562 CA TRP A 99 11.034 -4.112 -4.973 1.00 0.00 C ATOM 1563 C TRP A 99 10.448 -2.949 -5.778 1.00 0.00 C ATOM 1564 O TRP A 99 9.511 -3.119 -6.532 1.00 0.00 O ATOM 1565 CB TRP A 99 10.603 -4.024 -3.507 1.00 0.00 C ATOM 1566 CG TRP A 99 9.180 -4.447 -3.354 1.00 0.00 C ATOM 1567 CD1 TRP A 99 8.769 -5.708 -3.101 1.00 0.00 C ATOM 1568 CD2 TRP A 99 7.979 -3.630 -3.430 1.00 0.00 C ATOM 1569 NE1 TRP A 99 7.389 -5.717 -3.008 1.00 0.00 N ATOM 1570 CE2 TRP A 99 6.857 -4.460 -3.207 1.00 0.00 C ATOM 1571 CE3 TRP A 99 7.754 -2.264 -3.666 1.00 0.00 C ATOM 1572 CZ2 TRP A 99 5.563 -3.951 -3.218 1.00 0.00 C ATOM 1573 CZ3 TRP A 99 6.452 -1.753 -3.678 1.00 0.00 C ATOM 1574 CH2 TRP A 99 5.358 -2.593 -3.453 1.00 0.00 C ATOM 0 H TRP A 99 12.903 -3.829 -3.993 1.00 0.00 H new ATOM 0 HA TRP A 99 10.693 -5.031 -5.450 1.00 0.00 H new ATOM 0 HB2 TRP A 99 11.245 -4.657 -2.895 1.00 0.00 H new ATOM 0 HB3 TRP A 99 10.726 -3.003 -3.146 1.00 0.00 H new ATOM 0 HD1 TRP A 99 9.412 -6.568 -2.990 1.00 0.00 H new ATOM 0 HE1 TRP A 99 6.833 -6.550 -2.816 1.00 0.00 H new ATOM 0 HE3 TRP A 99 8.591 -1.604 -3.839 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 4.721 -4.605 -3.045 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 6.291 -0.701 -3.863 1.00 0.00 H new ATOM 0 HH2 TRP A 99 4.356 -2.190 -3.461 1.00 0.00 H new ATOM 1585 N LEU A 100 11.003 -1.768 -5.623 1.00 0.00 N ATOM 1586 CA LEU A 100 10.490 -0.587 -6.384 1.00 0.00 C ATOM 1587 C LEU A 100 10.768 -0.773 -7.879 1.00 0.00 C ATOM 1588 O LEU A 100 9.949 -0.438 -8.714 1.00 0.00 O ATOM 1589 CB LEU A 100 11.255 0.631 -5.844 1.00 0.00 C ATOM 1590 CG LEU A 100 10.645 1.077 -4.509 1.00 0.00 C ATOM 1591 CD1 LEU A 100 11.710 1.783 -3.667 1.00 0.00 C ATOM 1592 CD2 LEU A 100 9.487 2.043 -4.772 1.00 0.00 C ATOM 0 H LEU A 100 11.789 -1.574 -5.002 1.00 0.00 H new ATOM 0 HA LEU A 100 9.414 -0.463 -6.262 1.00 0.00 H new ATOM 0 HB2 LEU A 100 12.307 0.380 -5.708 1.00 0.00 H new ATOM 0 HB3 LEU A 100 11.212 1.448 -6.565 1.00 0.00 H new ATOM 0 HG LEU A 100 10.277 0.202 -3.972 1.00 0.00 H new ATOM 0 HD11 LEU A 100 11.274 2.099 -2.719 1.00 0.00 H new ATOM 0 HD12 LEU A 100 12.536 1.098 -3.476 1.00 0.00 H new ATOM 0 HD13 LEU A 100 12.080 2.656 -4.205 1.00 0.00 H new ATOM 0 HD21 LEU A 100 9.054 2.359 -3.823 1.00 0.00 H new ATOM 0 HD22 LEU A 100 9.856 2.915 -5.311 1.00 0.00 H new ATOM 0 HD23 LEU A 100 8.725 1.543 -5.370 1.00 0.00 H new ATOM 1604 N SER A 101 11.914 -1.314 -8.224 1.00 0.00 N ATOM 1605 CA SER A 101 12.240 -1.530 -9.668 1.00 0.00 C ATOM 1606 C SER A 101 11.445 -2.722 -10.222 1.00 0.00 C ATOM 1607 O SER A 101 10.878 -2.651 -11.297 1.00 0.00 O ATOM 1608 CB SER A 101 13.744 -1.818 -9.719 1.00 0.00 C ATOM 1609 OG SER A 101 14.463 -0.642 -9.363 1.00 0.00 O ATOM 0 H SER A 101 12.635 -1.614 -7.568 1.00 0.00 H new ATOM 0 HA SER A 101 11.979 -0.662 -10.273 1.00 0.00 H new ATOM 0 HB2 SER A 101 13.993 -2.630 -9.036 1.00 0.00 H new ATOM 0 HB3 SER A 101 14.029 -2.143 -10.719 1.00 0.00 H new ATOM 0 HG SER A 101 15.425 -0.825 -9.393 1.00 0.00 H new ATOM 1615 N SER A 102 11.397 -3.813 -9.494 1.00 0.00 N ATOM 1616 CA SER A 102 10.640 -5.010 -9.974 1.00 0.00 C ATOM 1617 C SER A 102 9.540 -5.381 -8.971 1.00 0.00 C ATOM 1618 O SER A 102 9.872 -5.700 -7.839 1.00 0.00 O ATOM 1619 CB SER A 102 11.680 -6.131 -10.080 1.00 0.00 C ATOM 1620 OG SER A 102 12.137 -6.227 -11.425 1.00 0.00 O ATOM 1621 OXT SER A 102 8.382 -5.336 -9.351 1.00 0.00 O ATOM 0 H SER A 102 11.851 -3.925 -8.587 1.00 0.00 H new ATOM 0 HA SER A 102 10.147 -4.828 -10.929 1.00 0.00 H new ATOM 0 HB2 SER A 102 12.518 -5.929 -9.413 1.00 0.00 H new ATOM 0 HB3 SER A 102 11.243 -7.078 -9.764 1.00 0.00 H new ATOM 0 HG SER A 102 12.803 -6.942 -11.494 1.00 0.00 H new TER 1627 SER A 102