USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 806 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 58 MET CE :methyl -156:sc= -0.163 (180deg=-0.864) USER MOD Set 1.2: A 127 SER OG : rot 81:sc= 0.435 USER MOD Set 2.1: A 99 TYR OH : rot 10:sc= 1.27 USER MOD Set 2.2: A 126 HIS : no HD1:sc= 0.297 K(o=1.6,f=-6.4!) USER MOD Set 3.1: A 57 HIS : no HD1:sc= 1.12 K(o=1.1,f=-5.1) USER MOD Set 3.2: A 103 SER OG : rot 13:sc= 1.25 USER MOD Set 3.3: A 119 HIS : no HD1:sc= -1.28 K(o=1.1,f=-4!) USER MOD Set 4.1: A 115 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 116 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Set 5.1: A 75 SER OG : rot 180:sc= 0.0383 USER MOD Set 5.2: A 76 GLN : amide:sc= -0.0884 X(o=-0.05,f=-0.11) USER MOD Set 6.1: A 38 THR OG1 : rot 80:sc= 2.17 USER MOD Set 6.2: A 40 SER OG : rot -150:sc= 0.967 USER MOD Set 6.3: A 47 GLN : amide:sc= -1.65 K(o=1.5,f=-1.2!) USER MOD Set 7.1: A 41 ASN : amide:sc= -0.349 K(o=0.9,f=-5.6!) USER MOD Set 7.2: A 45 GLN : amide:sc= 1.25 K(o=0.9,f=-4!) USER MOD Set 8.1: A 27 SER OG : rot 180:sc= 0.963 USER MOD Set 8.2: A 113 SER OG : rot 84:sc= 1.12 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot -112:sc= 1.24 USER MOD Single : A 43 LYS NZ :NH3+ -133:sc= -1.07 (180deg=-4.35!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 130:sc= -0.13 (180deg=-0.659) USER MOD Single : A 61 SER OG : rot -68:sc= 0.268 USER MOD Single : A 62 GLN : amide:sc= -0.627 K(o=-0.63,f=-2.5!) USER MOD Single : A 63 SER OG : rot 88:sc= 0.87 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 166:sc= -0.0272 (180deg=-0.24) USER MOD Single : A 70 GLN : amide:sc= -1.02 K(o=-1,f=-2.2!) USER MOD Single : A 78 SER OG : rot 86:sc= 1.12 USER MOD Single : A 79 LYS NZ :NH3+ -173:sc= -0.042 (180deg=-0.233) USER MOD Single : A 82 GLN : amide:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 85 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 91 SER OG : rot 180:sc= -0.0905 USER MOD Single : A 97 LYS NZ :NH3+ 164:sc= -0.0568 (180deg=-0.356) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.00131 USER MOD Single : A 100 THR OG1 : rot 117:sc= 0.689 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 SER OG : rot -162:sc= -0.315 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN :FLIP amide:sc= -1.59! C(o=-6.6!,f=-1.6!) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 60:sc= 0.38 USER MOD Single : A 122 ASN : amide:sc= -1.13 K(o=-1.1,f=-5.8!) USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 131 THR OG1 : rot -84:sc= 0.0815 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 25 -9.065 -0.977 14.337 1.00 0.00 N ATOM 2 CA ARG A 25 -8.957 -1.146 12.872 1.00 0.00 C ATOM 3 C ARG A 25 -7.557 -0.784 12.405 1.00 0.00 C ATOM 4 O ARG A 25 -6.862 -0.003 13.049 1.00 0.00 O ATOM 5 CB ARG A 25 -9.975 -0.262 12.145 1.00 0.00 C ATOM 6 CG ARG A 25 -11.415 -0.737 12.258 1.00 0.00 C ATOM 7 CD ARG A 25 -12.333 0.129 11.410 1.00 0.00 C ATOM 8 NE ARG A 25 -13.711 -0.361 11.382 1.00 0.00 N ATOM 9 CZ ARG A 25 -14.715 0.293 10.799 1.00 0.00 C ATOM 10 NH1 ARG A 25 -14.492 1.455 10.201 1.00 0.00 N ATOM 11 NH2 ARG A 25 -15.938 -0.215 10.797 1.00 0.00 N ATOM 0 HA ARG A 25 -9.163 -2.190 12.637 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -9.907 0.751 12.542 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -9.704 -0.210 11.090 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -11.487 -1.776 11.936 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -11.734 -0.703 13.300 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -12.323 1.148 11.797 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -11.947 0.171 10.392 1.00 0.00 H new ATOM 0 HE ARG A 25 -13.915 -1.253 11.834 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -13.551 1.849 10.187 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -15.261 1.955 9.755 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -16.118 -1.114 11.244 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -16.700 0.293 10.348 1.00 0.00 H new ATOM 23 N LEU A 26 -7.142 -1.365 11.294 1.00 0.00 N ATOM 24 CA LEU A 26 -5.865 -1.021 10.690 1.00 0.00 C ATOM 25 C LEU A 26 -6.060 0.007 9.583 1.00 0.00 C ATOM 26 O LEU A 26 -5.769 -0.253 8.418 1.00 0.00 O ATOM 27 CB LEU A 26 -5.182 -2.272 10.135 1.00 0.00 C ATOM 28 CG LEU A 26 -4.668 -3.257 11.184 1.00 0.00 C ATOM 29 CD1 LEU A 26 -4.183 -4.531 10.519 1.00 0.00 C ATOM 30 CD2 LEU A 26 -3.549 -2.628 11.996 1.00 0.00 C ATOM 0 H LEU A 26 -7.670 -2.078 10.790 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.226 -0.588 11.459 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.887 -2.793 9.486 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.344 -1.961 9.511 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.489 -3.506 11.857 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.820 -5.223 11.279 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.006 -4.992 9.972 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.374 -4.295 9.827 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.193 -3.342 12.739 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.728 -2.354 11.333 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.922 -1.736 12.499 1.00 0.00 H new ATOM 42 N SER A 27 -6.563 1.173 9.949 1.00 0.00 N ATOM 43 CA SER A 27 -6.760 2.245 8.992 1.00 0.00 C ATOM 44 C SER A 27 -5.505 3.106 8.939 1.00 0.00 C ATOM 45 O SER A 27 -4.879 3.344 9.971 1.00 0.00 O ATOM 46 CB SER A 27 -7.964 3.092 9.403 1.00 0.00 C ATOM 47 OG SER A 27 -9.093 2.276 9.682 1.00 0.00 O ATOM 0 H SER A 27 -6.842 1.401 10.903 1.00 0.00 H new ATOM 0 HA SER A 27 -6.950 1.825 8.004 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.713 3.684 10.283 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.207 3.794 8.606 1.00 0.00 H new ATOM 0 HG SER A 27 -9.849 2.842 9.944 1.00 0.00 H new ATOM 53 N TRP A 28 -5.135 3.584 7.754 1.00 0.00 N ATOM 54 CA TRP A 28 -3.902 4.355 7.619 1.00 0.00 C ATOM 55 C TRP A 28 -4.090 5.798 8.086 1.00 0.00 C ATOM 56 O TRP A 28 -3.309 6.684 7.745 1.00 0.00 O ATOM 57 CB TRP A 28 -3.339 4.294 6.185 1.00 0.00 C ATOM 58 CG TRP A 28 -4.245 4.797 5.091 1.00 0.00 C ATOM 59 CD1 TRP A 28 -5.158 5.810 5.159 1.00 0.00 C ATOM 60 CD2 TRP A 28 -4.283 4.316 3.740 1.00 0.00 C ATOM 61 NE1 TRP A 28 -5.771 5.976 3.941 1.00 0.00 N ATOM 62 CE2 TRP A 28 -5.249 5.074 3.051 1.00 0.00 C ATOM 63 CE3 TRP A 28 -3.594 3.317 3.049 1.00 0.00 C ATOM 64 CZ2 TRP A 28 -5.541 4.861 1.705 1.00 0.00 C ATOM 65 CZ3 TRP A 28 -3.885 3.106 1.714 1.00 0.00 C ATOM 66 CH2 TRP A 28 -4.851 3.874 1.054 1.00 0.00 C ATOM 0 H TRP A 28 -5.659 3.455 6.889 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.162 3.892 8.273 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -2.414 4.870 6.156 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -3.077 3.259 5.964 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -5.368 6.396 6.042 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -6.498 6.661 3.732 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.846 2.719 3.549 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -6.285 5.454 1.194 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -3.358 2.335 1.171 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.056 3.684 0.011 1.00 0.00 H new ATOM 77 N TYR A 29 -5.142 6.021 8.863 1.00 0.00 N ATOM 78 CA TYR A 29 -5.372 7.303 9.505 1.00 0.00 C ATOM 79 C TYR A 29 -5.054 7.199 10.994 1.00 0.00 C ATOM 80 O TYR A 29 -4.934 8.212 11.685 1.00 0.00 O ATOM 81 CB TYR A 29 -6.828 7.749 9.331 1.00 0.00 C ATOM 82 CG TYR A 29 -7.282 7.850 7.889 1.00 0.00 C ATOM 83 CD1 TYR A 29 -6.937 8.945 7.105 1.00 0.00 C ATOM 84 CD2 TYR A 29 -8.061 6.852 7.314 1.00 0.00 C ATOM 85 CE1 TYR A 29 -7.354 9.041 5.792 1.00 0.00 C ATOM 86 CE2 TYR A 29 -8.482 6.943 6.002 1.00 0.00 C ATOM 87 CZ TYR A 29 -8.127 8.039 5.246 1.00 0.00 C ATOM 88 OH TYR A 29 -8.547 8.132 3.938 1.00 0.00 O ATOM 0 H TYR A 29 -5.855 5.320 9.064 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.721 8.040 9.036 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -7.476 7.046 9.855 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.958 8.720 9.809 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.333 9.733 7.530 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.341 5.991 7.903 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.076 9.897 5.196 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.087 6.159 5.571 1.00 0.00 H new ATOM 0 HH TYR A 29 -9.081 7.343 3.709 1.00 0.00 H new ATOM 98 N ASP A 30 -4.923 5.963 11.483 1.00 0.00 N ATOM 99 CA ASP A 30 -4.694 5.722 12.904 1.00 0.00 C ATOM 100 C ASP A 30 -3.243 5.995 13.279 1.00 0.00 C ATOM 101 O ASP A 30 -2.330 5.605 12.551 1.00 0.00 O ATOM 102 CB ASP A 30 -5.057 4.285 13.304 1.00 0.00 C ATOM 103 CG ASP A 30 -6.536 3.968 13.160 1.00 0.00 C ATOM 104 OD1 ASP A 30 -7.371 4.729 13.692 1.00 0.00 O ATOM 105 OD2 ASP A 30 -6.872 2.956 12.509 1.00 0.00 O ATOM 0 H ASP A 30 -4.972 5.117 10.915 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.343 6.409 13.446 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.484 3.590 12.690 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.757 4.118 14.339 1.00 0.00 H new ATOM 110 N PRO A 31 -3.018 6.663 14.419 1.00 0.00 N ATOM 111 CA PRO A 31 -1.688 7.138 14.827 1.00 0.00 C ATOM 112 C PRO A 31 -0.596 6.075 14.714 1.00 0.00 C ATOM 113 O PRO A 31 0.454 6.305 14.102 1.00 0.00 O ATOM 114 CB PRO A 31 -1.896 7.527 16.291 1.00 0.00 C ATOM 115 CG PRO A 31 -3.332 7.901 16.378 1.00 0.00 C ATOM 116 CD PRO A 31 -4.052 7.003 15.413 1.00 0.00 C ATOM 0 HA PRO A 31 -1.342 7.948 14.185 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -1.661 6.698 16.959 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.252 8.359 16.576 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.709 7.767 17.392 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.479 8.950 16.119 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -4.441 6.113 15.907 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.901 7.508 14.952 1.00 0.00 H new ATOM 124 N ASP A 32 -0.866 4.905 15.275 1.00 0.00 N ATOM 125 CA ASP A 32 0.146 3.863 15.396 1.00 0.00 C ATOM 126 C ASP A 32 0.097 2.881 14.232 1.00 0.00 C ATOM 127 O ASP A 32 0.725 1.822 14.283 1.00 0.00 O ATOM 128 CB ASP A 32 -0.017 3.114 16.723 1.00 0.00 C ATOM 129 CG ASP A 32 -1.291 2.299 16.789 1.00 0.00 C ATOM 130 OD1 ASP A 32 -2.384 2.903 16.837 1.00 0.00 O ATOM 131 OD2 ASP A 32 -1.203 1.053 16.819 1.00 0.00 O ATOM 0 H ASP A 32 -1.778 4.652 15.654 1.00 0.00 H new ATOM 0 HA ASP A 32 1.120 4.352 15.374 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.838 2.454 16.869 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.009 3.832 17.543 1.00 0.00 H new ATOM 136 N PHE A 33 -0.638 3.221 13.180 1.00 0.00 N ATOM 137 CA PHE A 33 -0.632 2.405 11.978 1.00 0.00 C ATOM 138 C PHE A 33 0.742 2.484 11.330 1.00 0.00 C ATOM 139 O PHE A 33 1.160 3.547 10.864 1.00 0.00 O ATOM 140 CB PHE A 33 -1.707 2.866 10.993 1.00 0.00 C ATOM 141 CG PHE A 33 -1.726 2.072 9.715 1.00 0.00 C ATOM 142 CD1 PHE A 33 -2.318 0.819 9.670 1.00 0.00 C ATOM 143 CD2 PHE A 33 -1.147 2.577 8.561 1.00 0.00 C ATOM 144 CE1 PHE A 33 -2.332 0.087 8.499 1.00 0.00 C ATOM 145 CE2 PHE A 33 -1.157 1.847 7.387 1.00 0.00 C ATOM 146 CZ PHE A 33 -1.751 0.602 7.357 1.00 0.00 C ATOM 0 H PHE A 33 -1.237 4.045 13.136 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.853 1.373 12.252 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.683 2.793 11.472 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.546 3.918 10.756 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.773 0.411 10.560 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.683 3.552 8.579 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.797 -0.888 8.476 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.701 2.250 6.495 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.762 0.030 6.441 1.00 0.00 H new ATOM 156 N GLN A 34 1.451 1.369 11.320 1.00 0.00 N ATOM 157 CA GLN A 34 2.808 1.354 10.811 1.00 0.00 C ATOM 158 C GLN A 34 2.850 0.838 9.383 1.00 0.00 C ATOM 159 O GLN A 34 2.404 -0.273 9.092 1.00 0.00 O ATOM 160 CB GLN A 34 3.715 0.511 11.711 1.00 0.00 C ATOM 161 CG GLN A 34 3.817 1.046 13.128 1.00 0.00 C ATOM 162 CD GLN A 34 4.858 0.320 13.950 1.00 0.00 C ATOM 163 OE1 GLN A 34 4.574 -0.700 14.579 1.00 0.00 O ATOM 164 NE2 GLN A 34 6.071 0.849 13.963 1.00 0.00 N ATOM 0 H GLN A 34 1.111 0.468 11.657 1.00 0.00 H new ATOM 0 HA GLN A 34 3.176 2.380 10.812 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.337 -0.511 11.742 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.712 0.469 11.273 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.061 2.108 13.095 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.847 0.957 13.617 1.00 0.00 H new ATOM 0 HE21 GLN A 34 6.264 1.695 13.427 1.00 0.00 H new ATOM 0 HE22 GLN A 34 6.813 0.410 14.509 1.00 0.00 H new ATOM 173 N ALA A 35 3.369 1.667 8.496 1.00 0.00 N ATOM 174 CA ALA A 35 3.560 1.293 7.109 1.00 0.00 C ATOM 175 C ALA A 35 4.892 1.834 6.623 1.00 0.00 C ATOM 176 O ALA A 35 5.348 2.877 7.093 1.00 0.00 O ATOM 177 CB ALA A 35 2.424 1.821 6.244 1.00 0.00 C ATOM 0 H ALA A 35 3.669 2.616 8.717 1.00 0.00 H new ATOM 0 HA ALA A 35 3.560 0.206 7.031 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.589 1.528 5.207 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.478 1.406 6.592 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.390 2.908 6.312 1.00 0.00 H new ATOM 183 N ARG A 36 5.512 1.128 5.699 1.00 0.00 N ATOM 184 CA ARG A 36 6.803 1.531 5.185 1.00 0.00 C ATOM 185 C ARG A 36 6.816 1.430 3.670 1.00 0.00 C ATOM 186 O ARG A 36 6.000 0.721 3.075 1.00 0.00 O ATOM 187 CB ARG A 36 7.916 0.653 5.768 1.00 0.00 C ATOM 188 CG ARG A 36 7.920 -0.771 5.221 1.00 0.00 C ATOM 189 CD ARG A 36 9.127 -1.564 5.697 1.00 0.00 C ATOM 190 NE ARG A 36 9.207 -2.869 5.042 1.00 0.00 N ATOM 191 CZ ARG A 36 10.292 -3.634 5.042 1.00 0.00 C ATOM 192 NH1 ARG A 36 11.370 -3.255 5.712 1.00 0.00 N ATOM 193 NH2 ARG A 36 10.298 -4.781 4.386 1.00 0.00 N ATOM 0 H ARG A 36 5.141 0.271 5.289 1.00 0.00 H new ATOM 0 HA ARG A 36 6.981 2.565 5.480 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.880 1.116 5.559 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.808 0.617 6.852 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.007 -1.280 5.531 1.00 0.00 H new ATOM 0 HG3 ARG A 36 7.914 -0.740 4.131 1.00 0.00 H new ATOM 0 HD2 ARG A 36 10.037 -0.999 5.495 1.00 0.00 H new ATOM 0 HD3 ARG A 36 9.070 -1.701 6.777 1.00 0.00 H new ATOM 0 HE ARG A 36 8.379 -3.212 4.556 1.00 0.00 H new ATOM 0 HH11 ARG A 36 11.367 -2.375 6.228 1.00 0.00 H new ATOM 0 HH12 ARG A 36 12.203 -3.843 5.712 1.00 0.00 H new ATOM 0 HH21 ARG A 36 9.467 -5.082 3.877 1.00 0.00 H new ATOM 0 HH22 ARG A 36 11.134 -5.366 4.389 1.00 0.00 H new ATOM 206 N LEU A 37 7.734 2.146 3.056 1.00 0.00 N ATOM 207 CA LEU A 37 7.943 2.055 1.627 1.00 0.00 C ATOM 208 C LEU A 37 9.295 1.414 1.363 1.00 0.00 C ATOM 209 O LEU A 37 10.267 1.695 2.068 1.00 0.00 O ATOM 210 CB LEU A 37 7.871 3.446 0.998 1.00 0.00 C ATOM 211 CG LEU A 37 6.533 4.161 1.181 1.00 0.00 C ATOM 212 CD1 LEU A 37 6.615 5.584 0.667 1.00 0.00 C ATOM 213 CD2 LEU A 37 5.427 3.405 0.468 1.00 0.00 C ATOM 0 H LEU A 37 8.353 2.804 3.530 1.00 0.00 H new ATOM 0 HA LEU A 37 7.163 1.440 1.178 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.660 4.065 1.426 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.078 3.359 -0.069 1.00 0.00 H new ATOM 0 HG LEU A 37 6.303 4.192 2.246 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.653 6.077 0.806 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.383 6.126 1.218 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.868 5.574 -0.393 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.481 3.927 0.608 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.655 3.345 -0.596 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.350 2.399 0.880 1.00 0.00 H new ATOM 225 N THR A 38 9.341 0.528 0.379 1.00 0.00 N ATOM 226 CA THR A 38 10.571 -0.171 0.031 1.00 0.00 C ATOM 227 C THR A 38 11.653 0.813 -0.396 1.00 0.00 C ATOM 228 O THR A 38 11.339 1.918 -0.839 1.00 0.00 O ATOM 229 CB THR A 38 10.341 -1.186 -1.101 1.00 0.00 C ATOM 230 OG1 THR A 38 9.791 -0.528 -2.246 1.00 0.00 O ATOM 231 CG2 THR A 38 9.402 -2.287 -0.652 1.00 0.00 C ATOM 0 H THR A 38 8.537 0.275 -0.195 1.00 0.00 H new ATOM 0 HA THR A 38 10.897 -0.705 0.923 1.00 0.00 H new ATOM 0 HB THR A 38 11.302 -1.628 -1.362 1.00 0.00 H new ATOM 0 HG1 THR A 38 10.508 -0.080 -2.742 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.253 -2.994 -1.468 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.833 -2.806 0.204 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.443 -1.854 -0.368 1.00 0.00 H new ATOM 239 N ARG A 39 12.914 0.415 -0.262 1.00 0.00 N ATOM 240 CA ARG A 39 14.029 1.318 -0.545 1.00 0.00 C ATOM 241 C ARG A 39 13.902 1.908 -1.947 1.00 0.00 C ATOM 242 O ARG A 39 13.903 3.132 -2.111 1.00 0.00 O ATOM 243 CB ARG A 39 15.372 0.596 -0.401 1.00 0.00 C ATOM 244 CG ARG A 39 15.519 -0.204 0.887 1.00 0.00 C ATOM 245 CD ARG A 39 15.226 0.631 2.127 1.00 0.00 C ATOM 246 NE ARG A 39 16.202 1.703 2.337 1.00 0.00 N ATOM 247 CZ ARG A 39 16.285 2.406 3.465 1.00 0.00 C ATOM 248 NH1 ARG A 39 15.474 2.130 4.476 1.00 0.00 N ATOM 249 NH2 ARG A 39 17.166 3.387 3.593 1.00 0.00 N ATOM 0 H ARG A 39 13.190 -0.520 0.038 1.00 0.00 H new ATOM 0 HA ARG A 39 13.993 2.128 0.183 1.00 0.00 H new ATOM 0 HB2 ARG A 39 15.503 -0.076 -1.249 1.00 0.00 H new ATOM 0 HB3 ARG A 39 16.174 1.332 -0.451 1.00 0.00 H new ATOM 0 HG2 ARG A 39 14.843 -1.058 0.860 1.00 0.00 H new ATOM 0 HG3 ARG A 39 16.532 -0.601 0.951 1.00 0.00 H new ATOM 0 HD2 ARG A 39 14.230 1.065 2.039 1.00 0.00 H new ATOM 0 HD3 ARG A 39 15.214 -0.019 3.002 1.00 0.00 H new ATOM 0 HE ARG A 39 16.851 1.922 1.581 1.00 0.00 H new ATOM 0 HH11 ARG A 39 14.788 1.380 4.389 1.00 0.00 H new ATOM 0 HH12 ARG A 39 15.536 2.667 5.341 1.00 0.00 H new ATOM 0 HH21 ARG A 39 17.793 3.613 2.821 1.00 0.00 H new ATOM 0 HH22 ARG A 39 17.217 3.916 4.463 1.00 0.00 H new ATOM 262 N SER A 40 13.797 1.024 -2.941 1.00 0.00 N ATOM 263 CA SER A 40 13.537 1.406 -4.330 1.00 0.00 C ATOM 264 C SER A 40 14.538 2.445 -4.844 1.00 0.00 C ATOM 265 O SER A 40 15.632 2.093 -5.289 1.00 0.00 O ATOM 266 CB SER A 40 12.095 1.904 -4.477 1.00 0.00 C ATOM 267 OG SER A 40 11.168 0.886 -4.121 1.00 0.00 O ATOM 0 H SER A 40 13.890 0.018 -2.804 1.00 0.00 H new ATOM 0 HA SER A 40 13.668 0.518 -4.949 1.00 0.00 H new ATOM 0 HB2 SER A 40 11.942 2.778 -3.845 1.00 0.00 H new ATOM 0 HB3 SER A 40 11.918 2.219 -5.505 1.00 0.00 H new ATOM 0 HG SER A 40 10.341 1.002 -4.634 1.00 0.00 H new ATOM 273 N ASN A 41 14.172 3.720 -4.770 1.00 0.00 N ATOM 274 CA ASN A 41 15.044 4.795 -5.236 1.00 0.00 C ATOM 275 C ASN A 41 15.052 5.961 -4.256 1.00 0.00 C ATOM 276 O ASN A 41 16.005 6.739 -4.210 1.00 0.00 O ATOM 277 CB ASN A 41 14.617 5.299 -6.622 1.00 0.00 C ATOM 278 CG ASN A 41 13.237 5.940 -6.627 1.00 0.00 C ATOM 279 OD1 ASN A 41 12.329 5.500 -5.921 1.00 0.00 O ATOM 280 ND2 ASN A 41 13.079 7.001 -7.405 1.00 0.00 N ATOM 0 H ASN A 41 13.279 4.035 -4.392 1.00 0.00 H new ATOM 0 HA ASN A 41 16.050 4.381 -5.305 1.00 0.00 H new ATOM 0 HB2 ASN A 41 15.349 6.024 -6.979 1.00 0.00 H new ATOM 0 HB3 ASN A 41 14.626 4.465 -7.324 1.00 0.00 H new ATOM 0 HD21 ASN A 41 12.181 7.483 -7.433 1.00 0.00 H new ATOM 0 HD22 ASN A 41 13.856 7.335 -7.976 1.00 0.00 H new ATOM 287 N SER A 42 13.994 6.082 -3.469 1.00 0.00 N ATOM 288 CA SER A 42 13.874 7.172 -2.522 1.00 0.00 C ATOM 289 C SER A 42 13.102 6.712 -1.293 1.00 0.00 C ATOM 290 O SER A 42 12.304 5.780 -1.364 1.00 0.00 O ATOM 291 CB SER A 42 13.170 8.358 -3.187 1.00 0.00 C ATOM 292 OG SER A 42 13.064 9.461 -2.307 1.00 0.00 O ATOM 0 H SER A 42 13.206 5.435 -3.470 1.00 0.00 H new ATOM 0 HA SER A 42 14.869 7.487 -2.206 1.00 0.00 H new ATOM 0 HB2 SER A 42 13.721 8.655 -4.079 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.175 8.055 -3.513 1.00 0.00 H new ATOM 0 HG SER A 42 12.123 9.606 -2.077 1.00 0.00 H new ATOM 298 N LYS A 43 13.329 7.389 -0.176 1.00 0.00 N ATOM 299 CA LYS A 43 12.768 6.984 1.110 1.00 0.00 C ATOM 300 C LYS A 43 11.298 7.359 1.254 1.00 0.00 C ATOM 301 O LYS A 43 10.742 7.275 2.351 1.00 0.00 O ATOM 302 CB LYS A 43 13.569 7.606 2.257 1.00 0.00 C ATOM 303 CG LYS A 43 14.871 6.882 2.555 1.00 0.00 C ATOM 304 CD LYS A 43 14.609 5.479 3.080 1.00 0.00 C ATOM 305 CE LYS A 43 13.898 5.510 4.426 1.00 0.00 C ATOM 306 NZ LYS A 43 13.513 4.149 4.887 1.00 0.00 N ATOM 0 H LYS A 43 13.904 8.230 -0.133 1.00 0.00 H new ATOM 0 HA LYS A 43 12.835 5.897 1.153 1.00 0.00 H new ATOM 0 HB2 LYS A 43 13.789 8.645 2.013 1.00 0.00 H new ATOM 0 HB3 LYS A 43 12.953 7.613 3.156 1.00 0.00 H new ATOM 0 HG2 LYS A 43 15.476 6.828 1.650 1.00 0.00 H new ATOM 0 HG3 LYS A 43 15.445 7.447 3.289 1.00 0.00 H new ATOM 0 HD2 LYS A 43 14.004 4.927 2.360 1.00 0.00 H new ATOM 0 HD3 LYS A 43 15.554 4.944 3.179 1.00 0.00 H new ATOM 0 HE2 LYS A 43 14.548 5.973 5.168 1.00 0.00 H new ATOM 0 HE3 LYS A 43 13.006 6.132 4.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 12.526 4.159 5.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 13.610 3.476 4.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 14.133 3.859 5.670 1.00 0.00 H new ATOM 319 N CYS A 44 10.661 7.769 0.168 1.00 0.00 N ATOM 320 CA CYS A 44 9.255 8.129 0.233 1.00 0.00 C ATOM 321 C CYS A 44 8.524 7.749 -1.053 1.00 0.00 C ATOM 322 O CYS A 44 7.463 8.295 -1.365 1.00 0.00 O ATOM 323 CB CYS A 44 9.104 9.623 0.518 1.00 0.00 C ATOM 324 SG CYS A 44 7.645 10.032 1.528 1.00 0.00 S ATOM 0 H CYS A 44 11.087 7.860 -0.754 1.00 0.00 H new ATOM 0 HA CYS A 44 8.800 7.568 1.049 1.00 0.00 H new ATOM 0 HB2 CYS A 44 9.999 9.979 1.028 1.00 0.00 H new ATOM 0 HB3 CYS A 44 9.042 10.160 -0.429 1.00 0.00 H new ATOM 329 N GLN A 45 9.081 6.795 -1.789 1.00 0.00 N ATOM 330 CA GLN A 45 8.433 6.294 -2.991 1.00 0.00 C ATOM 331 C GLN A 45 8.899 4.876 -3.301 1.00 0.00 C ATOM 332 O GLN A 45 10.064 4.639 -3.619 1.00 0.00 O ATOM 333 CB GLN A 45 8.676 7.235 -4.178 1.00 0.00 C ATOM 334 CG GLN A 45 10.136 7.536 -4.456 1.00 0.00 C ATOM 335 CD GLN A 45 10.320 8.609 -5.510 1.00 0.00 C ATOM 336 OE1 GLN A 45 10.403 8.321 -6.704 1.00 0.00 O ATOM 337 NE2 GLN A 45 10.383 9.858 -5.075 1.00 0.00 N ATOM 0 H GLN A 45 9.976 6.355 -1.575 1.00 0.00 H new ATOM 0 HA GLN A 45 7.358 6.261 -2.813 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.233 6.794 -5.071 1.00 0.00 H new ATOM 0 HB3 GLN A 45 8.154 8.174 -3.993 1.00 0.00 H new ATOM 0 HG2 GLN A 45 10.620 7.853 -3.532 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.636 6.623 -4.781 1.00 0.00 H new ATOM 0 HE21 GLN A 45 10.310 10.055 -4.077 1.00 0.00 H new ATOM 0 HE22 GLN A 45 10.504 10.623 -5.738 1.00 0.00 H new ATOM 346 N GLY A 46 7.978 3.936 -3.182 1.00 0.00 N ATOM 347 CA GLY A 46 8.295 2.543 -3.413 1.00 0.00 C ATOM 348 C GLY A 46 7.096 1.660 -3.147 1.00 0.00 C ATOM 349 O GLY A 46 5.966 2.149 -3.115 1.00 0.00 O ATOM 0 H GLY A 46 7.007 4.114 -2.927 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.628 2.409 -4.442 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.121 2.243 -2.769 1.00 0.00 H new ATOM 353 N GLN A 47 7.331 0.369 -2.942 1.00 0.00 N ATOM 354 CA GLN A 47 6.250 -0.571 -2.680 1.00 0.00 C ATOM 355 C GLN A 47 5.719 -0.364 -1.270 1.00 0.00 C ATOM 356 O GLN A 47 6.487 -0.089 -0.345 1.00 0.00 O ATOM 357 CB GLN A 47 6.713 -2.025 -2.857 1.00 0.00 C ATOM 358 CG GLN A 47 7.019 -2.426 -4.299 1.00 0.00 C ATOM 359 CD GLN A 47 8.268 -1.763 -4.853 1.00 0.00 C ATOM 360 OE1 GLN A 47 8.207 -0.681 -5.432 1.00 0.00 O ATOM 361 NE2 GLN A 47 9.412 -2.409 -4.681 1.00 0.00 N ATOM 0 H GLN A 47 8.261 -0.050 -2.952 1.00 0.00 H new ATOM 0 HA GLN A 47 5.456 -0.382 -3.403 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.606 -2.184 -2.253 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.941 -2.688 -2.466 1.00 0.00 H new ATOM 0 HG2 GLN A 47 7.137 -3.508 -4.351 1.00 0.00 H new ATOM 0 HG3 GLN A 47 6.168 -2.167 -4.929 1.00 0.00 H new ATOM 0 HE21 GLN A 47 9.423 -3.306 -4.195 1.00 0.00 H new ATOM 0 HE22 GLN A 47 10.281 -2.010 -5.035 1.00 0.00 H new ATOM 370 N LEU A 48 4.412 -0.485 -1.110 1.00 0.00 N ATOM 371 CA LEU A 48 3.786 -0.247 0.180 1.00 0.00 C ATOM 372 C LEU A 48 3.737 -1.527 1.001 1.00 0.00 C ATOM 373 O LEU A 48 3.000 -2.460 0.676 1.00 0.00 O ATOM 374 CB LEU A 48 2.372 0.319 0.000 1.00 0.00 C ATOM 375 CG LEU A 48 1.647 0.701 1.295 1.00 0.00 C ATOM 376 CD1 LEU A 48 2.366 1.839 2.007 1.00 0.00 C ATOM 377 CD2 LEU A 48 0.208 1.090 1.001 1.00 0.00 C ATOM 0 H LEU A 48 3.765 -0.746 -1.854 1.00 0.00 H new ATOM 0 HA LEU A 48 4.389 0.486 0.716 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.431 1.201 -0.637 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.769 -0.418 -0.530 1.00 0.00 H new ATOM 0 HG LEU A 48 1.649 -0.168 1.953 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.831 2.091 2.923 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.382 1.530 2.253 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.400 2.712 1.355 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.294 1.359 1.931 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.193 1.942 0.321 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.309 0.249 0.540 1.00 0.00 H new ATOM 389 N GLU A 49 4.541 -1.569 2.051 1.00 0.00 N ATOM 390 CA GLU A 49 4.510 -2.672 2.997 1.00 0.00 C ATOM 391 C GLU A 49 3.907 -2.196 4.308 1.00 0.00 C ATOM 392 O GLU A 49 4.411 -1.263 4.933 1.00 0.00 O ATOM 393 CB GLU A 49 5.911 -3.243 3.236 1.00 0.00 C ATOM 394 CG GLU A 49 6.431 -4.103 2.094 1.00 0.00 C ATOM 395 CD GLU A 49 7.806 -4.680 2.379 1.00 0.00 C ATOM 396 OE1 GLU A 49 7.936 -5.466 3.341 1.00 0.00 O ATOM 397 OE2 GLU A 49 8.761 -4.353 1.649 1.00 0.00 O ATOM 0 H GLU A 49 5.227 -0.847 2.270 1.00 0.00 H new ATOM 0 HA GLU A 49 3.896 -3.469 2.578 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.605 -2.419 3.402 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.899 -3.838 4.149 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.730 -4.917 1.909 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.473 -3.505 1.184 1.00 0.00 H new ATOM 404 N VAL A 50 2.819 -2.825 4.713 1.00 0.00 N ATOM 405 CA VAL A 50 2.112 -2.414 5.915 1.00 0.00 C ATOM 406 C VAL A 50 2.264 -3.454 7.016 1.00 0.00 C ATOM 407 O VAL A 50 2.477 -4.639 6.741 1.00 0.00 O ATOM 408 CB VAL A 50 0.608 -2.171 5.644 1.00 0.00 C ATOM 409 CG1 VAL A 50 0.417 -1.061 4.622 1.00 0.00 C ATOM 410 CG2 VAL A 50 -0.080 -3.450 5.182 1.00 0.00 C ATOM 0 H VAL A 50 2.405 -3.622 4.229 1.00 0.00 H new ATOM 0 HA VAL A 50 2.560 -1.475 6.239 1.00 0.00 H new ATOM 0 HB VAL A 50 0.146 -1.859 6.581 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.648 -0.907 4.447 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.860 -0.139 4.999 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.902 -1.340 3.687 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.136 -3.250 4.999 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.387 -3.803 4.262 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.016 -4.214 5.954 1.00 0.00 H new ATOM 420 N TYR A 51 2.176 -3.004 8.257 1.00 0.00 N ATOM 421 CA TYR A 51 2.289 -3.897 9.396 1.00 0.00 C ATOM 422 C TYR A 51 0.922 -4.441 9.780 1.00 0.00 C ATOM 423 O TYR A 51 0.095 -3.733 10.355 1.00 0.00 O ATOM 424 CB TYR A 51 2.929 -3.177 10.591 1.00 0.00 C ATOM 425 CG TYR A 51 3.068 -4.047 11.822 1.00 0.00 C ATOM 426 CD1 TYR A 51 4.040 -5.039 11.891 1.00 0.00 C ATOM 427 CD2 TYR A 51 2.226 -3.880 12.919 1.00 0.00 C ATOM 428 CE1 TYR A 51 4.168 -5.837 13.012 1.00 0.00 C ATOM 429 CE2 TYR A 51 2.349 -4.675 14.041 1.00 0.00 C ATOM 430 CZ TYR A 51 3.321 -5.651 14.082 1.00 0.00 C ATOM 431 OH TYR A 51 3.450 -6.445 15.201 1.00 0.00 O ATOM 0 H TYR A 51 2.027 -2.025 8.500 1.00 0.00 H new ATOM 0 HA TYR A 51 2.932 -4.731 9.113 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.915 -2.814 10.300 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.329 -2.302 10.841 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.706 -5.188 11.054 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.464 -3.115 12.891 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.929 -6.603 13.049 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.687 -4.533 14.882 1.00 0.00 H new ATOM 0 HH TYR A 51 2.778 -6.185 15.865 1.00 0.00 H new ATOM 441 N LEU A 52 0.686 -5.694 9.435 1.00 0.00 N ATOM 442 CA LEU A 52 -0.533 -6.376 9.828 1.00 0.00 C ATOM 443 C LEU A 52 -0.342 -6.968 11.218 1.00 0.00 C ATOM 444 O LEU A 52 0.745 -6.869 11.792 1.00 0.00 O ATOM 445 CB LEU A 52 -0.878 -7.479 8.823 1.00 0.00 C ATOM 446 CG LEU A 52 -1.092 -7.015 7.382 1.00 0.00 C ATOM 447 CD1 LEU A 52 -1.373 -8.208 6.487 1.00 0.00 C ATOM 448 CD2 LEU A 52 -2.231 -6.009 7.295 1.00 0.00 C ATOM 0 H LEU A 52 1.326 -6.262 8.881 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.358 -5.664 9.844 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.077 -8.218 8.833 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.783 -7.984 9.161 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.181 -6.523 7.042 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.524 -7.867 5.463 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.527 -8.895 6.520 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.270 -8.720 6.835 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.361 -5.696 6.259 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.152 -6.470 7.653 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.997 -5.140 7.910 1.00 0.00 H new ATOM 460 N LYS A 53 -1.378 -7.596 11.754 1.00 0.00 N ATOM 461 CA LYS A 53 -1.311 -8.160 13.096 1.00 0.00 C ATOM 462 C LYS A 53 -0.576 -9.503 13.070 1.00 0.00 C ATOM 463 O LYS A 53 -1.033 -10.499 13.632 1.00 0.00 O ATOM 464 CB LYS A 53 -2.719 -8.318 13.678 1.00 0.00 C ATOM 465 CG LYS A 53 -2.728 -8.625 15.166 1.00 0.00 C ATOM 466 CD LYS A 53 -2.016 -7.542 15.961 1.00 0.00 C ATOM 467 CE LYS A 53 -1.790 -7.975 17.398 1.00 0.00 C ATOM 468 NZ LYS A 53 -0.944 -9.194 17.474 1.00 0.00 N ATOM 0 H LYS A 53 -2.273 -7.728 11.283 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.753 -7.478 13.738 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.282 -7.402 13.501 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.236 -9.117 13.147 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.757 -8.717 15.514 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.245 -9.586 15.344 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.059 -7.313 15.493 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.607 -6.626 15.943 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.314 -7.166 17.952 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.750 -8.167 17.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.172 -9.039 18.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.523 -9.999 17.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.544 -9.398 16.536 1.00 0.00 H new ATOM 481 N ASP A 54 0.576 -9.505 12.416 1.00 0.00 N ATOM 482 CA ASP A 54 1.400 -10.700 12.284 1.00 0.00 C ATOM 483 C ASP A 54 2.792 -10.337 11.763 1.00 0.00 C ATOM 484 O ASP A 54 3.787 -10.941 12.168 1.00 0.00 O ATOM 485 CB ASP A 54 0.747 -11.732 11.352 1.00 0.00 C ATOM 486 CG ASP A 54 0.880 -11.376 9.884 1.00 0.00 C ATOM 487 OD1 ASP A 54 0.080 -10.557 9.392 1.00 0.00 O ATOM 488 OD2 ASP A 54 1.792 -11.920 9.224 1.00 0.00 O ATOM 0 H ASP A 54 0.967 -8.680 11.962 1.00 0.00 H new ATOM 0 HA ASP A 54 1.493 -11.146 13.274 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.201 -12.708 11.526 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.310 -11.822 11.603 1.00 0.00 H new ATOM 493 N GLY A 55 2.862 -9.360 10.862 1.00 0.00 N ATOM 494 CA GLY A 55 4.141 -8.913 10.350 1.00 0.00 C ATOM 495 C GLY A 55 3.984 -7.938 9.204 1.00 0.00 C ATOM 496 O GLY A 55 2.879 -7.459 8.936 1.00 0.00 O ATOM 0 H GLY A 55 2.053 -8.871 10.479 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.708 -8.441 11.153 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.719 -9.775 10.016 1.00 0.00 H new ATOM 500 N TRP A 56 5.083 -7.650 8.524 1.00 0.00 N ATOM 501 CA TRP A 56 5.075 -6.717 7.409 1.00 0.00 C ATOM 502 C TRP A 56 4.711 -7.438 6.121 1.00 0.00 C ATOM 503 O TRP A 56 5.256 -8.501 5.819 1.00 0.00 O ATOM 504 CB TRP A 56 6.441 -6.041 7.265 1.00 0.00 C ATOM 505 CG TRP A 56 6.774 -5.129 8.404 1.00 0.00 C ATOM 506 CD1 TRP A 56 7.474 -5.443 9.533 1.00 0.00 C ATOM 507 CD2 TRP A 56 6.416 -3.749 8.525 1.00 0.00 C ATOM 508 NE1 TRP A 56 7.568 -4.344 10.351 1.00 0.00 N ATOM 509 CE2 TRP A 56 6.926 -3.290 9.753 1.00 0.00 C ATOM 510 CE3 TRP A 56 5.711 -2.858 7.714 1.00 0.00 C ATOM 511 CZ2 TRP A 56 6.753 -1.977 10.187 1.00 0.00 C ATOM 512 CZ3 TRP A 56 5.541 -1.558 8.145 1.00 0.00 C ATOM 513 CH2 TRP A 56 6.059 -1.128 9.370 1.00 0.00 C ATOM 0 H TRP A 56 5.998 -8.053 8.727 1.00 0.00 H new ATOM 0 HA TRP A 56 4.326 -5.950 7.607 1.00 0.00 H new ATOM 0 HB2 TRP A 56 7.211 -6.808 7.186 1.00 0.00 H new ATOM 0 HB3 TRP A 56 6.461 -5.472 6.335 1.00 0.00 H new ATOM 0 HD1 TRP A 56 7.893 -6.414 9.751 1.00 0.00 H new ATOM 0 HE1 TRP A 56 8.038 -4.316 11.256 1.00 0.00 H new ATOM 0 HE3 TRP A 56 5.306 -3.180 6.766 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 7.152 -1.643 11.133 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 4.998 -0.860 7.525 1.00 0.00 H new ATOM 0 HH2 TRP A 56 5.908 -0.104 9.678 1.00 0.00 H new ATOM 524 N HIS A 57 3.776 -6.867 5.373 1.00 0.00 N ATOM 525 CA HIS A 57 3.326 -7.465 4.121 1.00 0.00 C ATOM 526 C HIS A 57 3.105 -6.403 3.056 1.00 0.00 C ATOM 527 O HIS A 57 2.625 -5.307 3.347 1.00 0.00 O ATOM 528 CB HIS A 57 2.038 -8.265 4.332 1.00 0.00 C ATOM 529 CG HIS A 57 2.257 -9.590 4.991 1.00 0.00 C ATOM 530 ND1 HIS A 57 2.838 -10.659 4.345 1.00 0.00 N ATOM 531 CD2 HIS A 57 1.980 -10.017 6.245 1.00 0.00 C ATOM 532 CE1 HIS A 57 2.905 -11.687 5.168 1.00 0.00 C ATOM 533 NE2 HIS A 57 2.394 -11.325 6.326 1.00 0.00 N ATOM 0 H HIS A 57 3.314 -5.990 5.611 1.00 0.00 H new ATOM 0 HA HIS A 57 4.109 -8.142 3.780 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.350 -7.676 4.939 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.557 -8.424 3.367 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.520 -9.439 7.033 1.00 0.00 H new ATOM 0 HE1 HIS A 57 3.310 -12.660 4.932 1.00 0.00 H new ATOM 0 HE2 HIS A 57 2.318 -11.920 7.151 1.00 0.00 H new ATOM 541 N MET A 58 3.465 -6.741 1.822 1.00 0.00 N ATOM 542 CA MET A 58 3.322 -5.828 0.695 1.00 0.00 C ATOM 543 C MET A 58 1.883 -5.820 0.184 1.00 0.00 C ATOM 544 O MET A 58 1.250 -6.870 0.058 1.00 0.00 O ATOM 545 CB MET A 58 4.289 -6.212 -0.438 1.00 0.00 C ATOM 546 CG MET A 58 4.083 -7.621 -0.977 1.00 0.00 C ATOM 547 SD MET A 58 5.163 -8.011 -2.369 1.00 0.00 S ATOM 548 CE MET A 58 4.632 -6.781 -3.554 1.00 0.00 C ATOM 0 H MET A 58 3.861 -7.648 1.577 1.00 0.00 H new ATOM 0 HA MET A 58 3.571 -4.824 1.039 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.175 -5.501 -1.256 1.00 0.00 H new ATOM 0 HB3 MET A 58 5.313 -6.119 -0.075 1.00 0.00 H new ATOM 0 HG2 MET A 58 4.259 -8.339 -0.176 1.00 0.00 H new ATOM 0 HG3 MET A 58 3.044 -7.737 -1.287 1.00 0.00 H new ATOM 0 HE1 MET A 58 4.861 -7.125 -4.563 1.00 0.00 H new ATOM 0 HE2 MET A 58 3.557 -6.625 -3.460 1.00 0.00 H new ATOM 0 HE3 MET A 58 5.153 -5.843 -3.363 1.00 0.00 H new ATOM 558 N VAL A 59 1.373 -4.631 -0.104 1.00 0.00 N ATOM 559 CA VAL A 59 0.002 -4.478 -0.575 1.00 0.00 C ATOM 560 C VAL A 59 -0.069 -4.683 -2.086 1.00 0.00 C ATOM 561 O VAL A 59 0.851 -4.311 -2.819 1.00 0.00 O ATOM 562 CB VAL A 59 -0.569 -3.083 -0.212 1.00 0.00 C ATOM 563 CG1 VAL A 59 -2.036 -2.961 -0.615 1.00 0.00 C ATOM 564 CG2 VAL A 59 -0.402 -2.804 1.276 1.00 0.00 C ATOM 0 H VAL A 59 1.889 -3.755 -0.020 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.602 -5.237 -0.078 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.004 -2.338 -0.772 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.406 -1.971 -0.347 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.131 -3.104 -1.691 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.620 -3.720 -0.095 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.809 -1.820 1.510 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.934 -3.563 1.850 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.657 -2.829 1.534 1.00 0.00 H new ATOM 574 N CYS A 60 -1.150 -5.297 -2.543 1.00 0.00 N ATOM 575 CA CYS A 60 -1.351 -5.531 -3.963 1.00 0.00 C ATOM 576 C CYS A 60 -2.405 -4.571 -4.510 1.00 0.00 C ATOM 577 O CYS A 60 -3.370 -4.235 -3.809 1.00 0.00 O ATOM 578 CB CYS A 60 -1.781 -6.977 -4.197 1.00 0.00 C ATOM 579 SG CYS A 60 -1.244 -7.651 -5.796 1.00 0.00 S ATOM 0 H CYS A 60 -1.903 -5.643 -1.948 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.412 -5.354 -4.488 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.380 -7.600 -3.397 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.867 -7.038 -4.134 1.00 0.00 H new ATOM 584 N SER A 61 -2.231 -4.135 -5.757 1.00 0.00 N ATOM 585 CA SER A 61 -3.123 -3.148 -6.357 1.00 0.00 C ATOM 586 C SER A 61 -4.404 -3.805 -6.881 1.00 0.00 C ATOM 587 O SER A 61 -4.734 -3.706 -8.063 1.00 0.00 O ATOM 588 CB SER A 61 -2.402 -2.402 -7.485 1.00 0.00 C ATOM 589 OG SER A 61 -2.042 -3.283 -8.534 1.00 0.00 O ATOM 0 H SER A 61 -1.480 -4.451 -6.370 1.00 0.00 H new ATOM 0 HA SER A 61 -3.407 -2.433 -5.585 1.00 0.00 H new ATOM 0 HB2 SER A 61 -3.047 -1.614 -7.874 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.509 -1.917 -7.091 1.00 0.00 H new ATOM 0 HG SER A 61 -1.347 -3.899 -8.220 1.00 0.00 H new ATOM 595 N GLN A 62 -5.097 -4.497 -5.995 1.00 0.00 N ATOM 596 CA GLN A 62 -6.385 -5.097 -6.307 1.00 0.00 C ATOM 597 C GLN A 62 -7.161 -5.277 -5.005 1.00 0.00 C ATOM 598 O GLN A 62 -7.718 -6.335 -4.721 1.00 0.00 O ATOM 599 CB GLN A 62 -6.182 -6.437 -7.029 1.00 0.00 C ATOM 600 CG GLN A 62 -7.453 -7.050 -7.607 1.00 0.00 C ATOM 601 CD GLN A 62 -7.177 -8.320 -8.389 1.00 0.00 C ATOM 602 OE1 GLN A 62 -6.222 -9.043 -8.107 1.00 0.00 O ATOM 603 NE2 GLN A 62 -8.011 -8.604 -9.374 1.00 0.00 N ATOM 0 H GLN A 62 -4.784 -4.660 -5.038 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.954 -4.451 -6.975 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.465 -6.293 -7.837 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.738 -7.147 -6.331 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -8.149 -7.269 -6.797 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -7.940 -6.324 -8.258 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -8.791 -7.980 -9.577 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.874 -9.448 -9.931 1.00 0.00 H new ATOM 612 N SER A 63 -7.169 -4.221 -4.207 1.00 0.00 N ATOM 613 CA SER A 63 -7.779 -4.256 -2.892 1.00 0.00 C ATOM 614 C SER A 63 -8.895 -3.219 -2.800 1.00 0.00 C ATOM 615 O SER A 63 -8.955 -2.301 -3.615 1.00 0.00 O ATOM 616 CB SER A 63 -6.712 -3.982 -1.824 1.00 0.00 C ATOM 617 OG SER A 63 -5.680 -4.958 -1.867 1.00 0.00 O ATOM 0 H SER A 63 -6.755 -3.322 -4.453 1.00 0.00 H new ATOM 0 HA SER A 63 -8.210 -5.243 -2.724 1.00 0.00 H new ATOM 0 HB2 SER A 63 -6.285 -2.991 -1.978 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.174 -3.980 -0.837 1.00 0.00 H new ATOM 0 HG SER A 63 -4.993 -4.680 -2.508 1.00 0.00 H new ATOM 623 N TRP A 64 -9.775 -3.385 -1.815 1.00 0.00 N ATOM 624 CA TRP A 64 -10.848 -2.422 -1.534 1.00 0.00 C ATOM 625 C TRP A 64 -11.779 -2.225 -2.732 1.00 0.00 C ATOM 626 O TRP A 64 -12.342 -1.140 -2.923 1.00 0.00 O ATOM 627 CB TRP A 64 -10.259 -1.071 -1.116 1.00 0.00 C ATOM 628 CG TRP A 64 -9.307 -1.161 0.041 1.00 0.00 C ATOM 629 CD1 TRP A 64 -9.603 -1.512 1.325 1.00 0.00 C ATOM 630 CD2 TRP A 64 -7.903 -0.891 0.013 1.00 0.00 C ATOM 631 NE1 TRP A 64 -8.472 -1.471 2.098 1.00 0.00 N ATOM 632 CE2 TRP A 64 -7.413 -1.094 1.316 1.00 0.00 C ATOM 633 CE3 TRP A 64 -7.013 -0.492 -0.987 1.00 0.00 C ATOM 634 CZ2 TRP A 64 -6.073 -0.918 1.641 1.00 0.00 C ATOM 635 CZ3 TRP A 64 -5.682 -0.320 -0.662 1.00 0.00 C ATOM 636 CH2 TRP A 64 -5.225 -0.529 0.642 1.00 0.00 C ATOM 0 H TRP A 64 -9.768 -4.189 -1.187 1.00 0.00 H new ATOM 0 HA TRP A 64 -11.438 -2.836 -0.716 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -9.741 -0.631 -1.968 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -11.073 -0.395 -0.854 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -10.586 -1.783 1.681 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -8.426 -1.686 3.094 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -7.359 -0.321 -1.996 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -5.715 -1.083 2.646 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -4.983 -0.019 -1.428 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.179 -0.380 0.865 1.00 0.00 H new ATOM 647 N GLY A 65 -11.945 -3.272 -3.530 1.00 0.00 N ATOM 648 CA GLY A 65 -12.786 -3.183 -4.708 1.00 0.00 C ATOM 649 C GLY A 65 -12.200 -2.272 -5.771 1.00 0.00 C ATOM 650 O GLY A 65 -12.932 -1.671 -6.557 1.00 0.00 O ATOM 0 H GLY A 65 -11.511 -4.183 -3.382 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.928 -4.180 -5.126 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.771 -2.815 -4.421 1.00 0.00 H new ATOM 654 N ARG A 66 -10.880 -2.152 -5.786 1.00 0.00 N ATOM 655 CA ARG A 66 -10.203 -1.335 -6.778 1.00 0.00 C ATOM 656 C ARG A 66 -9.543 -2.213 -7.832 1.00 0.00 C ATOM 657 O ARG A 66 -9.076 -3.314 -7.538 1.00 0.00 O ATOM 658 CB ARG A 66 -9.157 -0.440 -6.112 1.00 0.00 C ATOM 659 CG ARG A 66 -9.740 0.644 -5.215 1.00 0.00 C ATOM 660 CD ARG A 66 -10.576 1.637 -6.013 1.00 0.00 C ATOM 661 NE ARG A 66 -11.044 2.760 -5.198 1.00 0.00 N ATOM 662 CZ ARG A 66 -11.665 3.821 -5.703 1.00 0.00 C ATOM 663 NH1 ARG A 66 -11.930 3.873 -7.002 1.00 0.00 N ATOM 664 NH2 ARG A 66 -12.038 4.819 -4.920 1.00 0.00 N ATOM 0 H ARG A 66 -10.258 -2.611 -5.121 1.00 0.00 H new ATOM 0 HA ARG A 66 -10.946 -0.703 -7.264 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.486 -1.063 -5.520 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.553 0.032 -6.887 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -10.357 0.186 -4.442 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.932 1.171 -4.707 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.985 2.018 -6.845 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -11.435 1.121 -6.442 1.00 0.00 H new ATOM 0 HE ARG A 66 -10.885 2.726 -4.191 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -11.657 3.100 -7.609 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -12.406 4.686 -7.393 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -11.850 4.779 -3.918 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -12.514 5.629 -5.318 1.00 0.00 H new ATOM 677 N SER A 67 -9.524 -1.711 -9.056 1.00 0.00 N ATOM 678 CA SER A 67 -8.955 -2.431 -10.184 1.00 0.00 C ATOM 679 C SER A 67 -7.427 -2.427 -10.131 1.00 0.00 C ATOM 680 O SER A 67 -6.822 -1.723 -9.325 1.00 0.00 O ATOM 681 CB SER A 67 -9.439 -1.795 -11.483 1.00 0.00 C ATOM 682 OG SER A 67 -10.854 -1.683 -11.490 1.00 0.00 O ATOM 0 H SER A 67 -9.902 -0.794 -9.296 1.00 0.00 H new ATOM 0 HA SER A 67 -9.285 -3.469 -10.137 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.991 -0.808 -11.600 1.00 0.00 H new ATOM 0 HB3 SER A 67 -9.113 -2.396 -12.332 1.00 0.00 H new ATOM 0 HG SER A 67 -11.145 -1.271 -12.330 1.00 0.00 H new ATOM 688 N SER A 68 -6.816 -3.212 -11.017 1.00 0.00 N ATOM 689 CA SER A 68 -5.370 -3.378 -11.042 1.00 0.00 C ATOM 690 C SER A 68 -4.689 -2.183 -11.698 1.00 0.00 C ATOM 691 O SER A 68 -3.460 -2.096 -11.730 1.00 0.00 O ATOM 692 CB SER A 68 -5.017 -4.663 -11.786 1.00 0.00 C ATOM 693 OG SER A 68 -5.705 -5.771 -11.230 1.00 0.00 O ATOM 0 H SER A 68 -7.309 -3.746 -11.732 1.00 0.00 H new ATOM 0 HA SER A 68 -5.011 -3.442 -10.015 1.00 0.00 H new ATOM 0 HB2 SER A 68 -5.275 -4.561 -12.840 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.942 -4.834 -11.736 1.00 0.00 H new ATOM 0 HG SER A 68 -5.467 -6.584 -11.722 1.00 0.00 H new ATOM 699 N LYS A 69 -5.490 -1.277 -12.234 1.00 0.00 N ATOM 700 CA LYS A 69 -4.975 -0.044 -12.801 1.00 0.00 C ATOM 701 C LYS A 69 -5.054 1.054 -11.746 1.00 0.00 C ATOM 702 O LYS A 69 -5.937 1.031 -10.890 1.00 0.00 O ATOM 703 CB LYS A 69 -5.780 0.352 -14.046 1.00 0.00 C ATOM 704 CG LYS A 69 -5.118 1.435 -14.885 1.00 0.00 C ATOM 705 CD LYS A 69 -3.789 0.961 -15.454 1.00 0.00 C ATOM 706 CE LYS A 69 -3.083 2.060 -16.235 1.00 0.00 C ATOM 707 NZ LYS A 69 -2.728 3.217 -15.371 1.00 0.00 N ATOM 0 H LYS A 69 -6.504 -1.374 -12.288 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.938 -0.187 -13.103 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.933 -0.532 -14.665 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.766 0.698 -13.735 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.782 1.723 -15.700 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.958 2.324 -14.274 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -3.146 0.622 -14.642 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -3.958 0.104 -16.105 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.179 1.657 -16.691 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.726 2.398 -17.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.051 3.829 -15.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.586 3.760 -15.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.297 2.873 -14.489 1.00 0.00 H new ATOM 720 N GLN A 70 -4.125 2.001 -11.807 1.00 0.00 N ATOM 721 CA GLN A 70 -4.046 3.062 -10.812 1.00 0.00 C ATOM 722 C GLN A 70 -5.313 3.909 -10.821 1.00 0.00 C ATOM 723 O GLN A 70 -5.617 4.580 -11.811 1.00 0.00 O ATOM 724 CB GLN A 70 -2.828 3.951 -11.071 1.00 0.00 C ATOM 725 CG GLN A 70 -2.562 4.952 -9.957 1.00 0.00 C ATOM 726 CD GLN A 70 -1.424 5.896 -10.280 1.00 0.00 C ATOM 727 OE1 GLN A 70 -0.262 5.608 -10.002 1.00 0.00 O ATOM 728 NE2 GLN A 70 -1.756 7.040 -10.854 1.00 0.00 N ATOM 0 H GLN A 70 -3.415 2.055 -12.537 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.944 2.596 -9.832 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -1.948 3.320 -11.200 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -2.974 4.491 -12.007 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -3.467 5.531 -9.770 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -2.332 4.414 -9.037 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -2.733 7.239 -11.068 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -1.035 7.724 -11.083 1.00 0.00 H new ATOM 737 N TRP A 71 -6.042 3.871 -9.717 1.00 0.00 N ATOM 738 CA TRP A 71 -7.271 4.633 -9.587 1.00 0.00 C ATOM 739 C TRP A 71 -6.966 6.099 -9.313 1.00 0.00 C ATOM 740 O TRP A 71 -5.838 6.460 -8.969 1.00 0.00 O ATOM 741 CB TRP A 71 -8.159 4.046 -8.483 1.00 0.00 C ATOM 742 CG TRP A 71 -7.440 3.775 -7.196 1.00 0.00 C ATOM 743 CD1 TRP A 71 -7.335 4.611 -6.124 1.00 0.00 C ATOM 744 CD2 TRP A 71 -6.733 2.580 -6.850 1.00 0.00 C ATOM 745 NE1 TRP A 71 -6.608 4.006 -5.128 1.00 0.00 N ATOM 746 CE2 TRP A 71 -6.226 2.758 -5.553 1.00 0.00 C ATOM 747 CE3 TRP A 71 -6.480 1.376 -7.516 1.00 0.00 C ATOM 748 CZ2 TRP A 71 -5.484 1.774 -4.905 1.00 0.00 C ATOM 749 CZ3 TRP A 71 -5.742 0.402 -6.873 1.00 0.00 C ATOM 750 CH2 TRP A 71 -5.251 0.606 -5.579 1.00 0.00 C ATOM 0 H TRP A 71 -5.801 3.317 -8.895 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.815 4.569 -10.529 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -8.981 4.735 -8.289 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -8.600 3.116 -8.843 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -7.760 5.602 -6.067 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -6.388 4.417 -4.221 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -6.855 1.211 -8.515 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -5.105 1.927 -3.905 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -5.541 -0.532 -7.377 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -4.676 -0.174 -5.102 1.00 0.00 H new ATOM 761 N GLU A 72 -7.984 6.935 -9.443 1.00 0.00 N ATOM 762 CA GLU A 72 -7.803 8.382 -9.388 1.00 0.00 C ATOM 763 C GLU A 72 -7.963 8.900 -7.967 1.00 0.00 C ATOM 764 O GLU A 72 -8.339 10.053 -7.753 1.00 0.00 O ATOM 765 CB GLU A 72 -8.829 9.060 -10.292 1.00 0.00 C ATOM 766 CG GLU A 72 -8.898 8.467 -11.688 1.00 0.00 C ATOM 767 CD GLU A 72 -10.319 8.412 -12.200 1.00 0.00 C ATOM 768 OE1 GLU A 72 -11.167 7.789 -11.525 1.00 0.00 O ATOM 769 OE2 GLU A 72 -10.600 9.000 -13.264 1.00 0.00 O ATOM 0 H GLU A 72 -8.949 6.637 -9.588 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.794 8.613 -9.729 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.813 8.989 -9.828 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.588 10.120 -10.369 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.289 9.063 -12.368 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.475 7.462 -11.678 1.00 0.00 H new ATOM 776 N ASP A 73 -7.671 8.049 -6.999 1.00 0.00 N ATOM 777 CA ASP A 73 -7.842 8.405 -5.598 1.00 0.00 C ATOM 778 C ASP A 73 -6.620 8.001 -4.775 1.00 0.00 C ATOM 779 O ASP A 73 -6.709 7.141 -3.899 1.00 0.00 O ATOM 780 CB ASP A 73 -9.103 7.738 -5.033 1.00 0.00 C ATOM 781 CG ASP A 73 -10.383 8.275 -5.649 1.00 0.00 C ATOM 782 OD1 ASP A 73 -10.802 7.769 -6.715 1.00 0.00 O ATOM 783 OD2 ASP A 73 -10.980 9.209 -5.069 1.00 0.00 O ATOM 0 H ASP A 73 -7.314 7.106 -7.156 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.952 9.488 -5.534 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.047 6.663 -5.204 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.135 7.888 -3.954 1.00 0.00 H new ATOM 788 N PRO A 74 -5.454 8.618 -5.042 1.00 0.00 N ATOM 789 CA PRO A 74 -4.226 8.321 -4.323 1.00 0.00 C ATOM 790 C PRO A 74 -4.019 9.238 -3.124 1.00 0.00 C ATOM 791 O PRO A 74 -3.197 8.964 -2.251 1.00 0.00 O ATOM 792 CB PRO A 74 -3.160 8.568 -5.387 1.00 0.00 C ATOM 793 CG PRO A 74 -3.721 9.643 -6.263 1.00 0.00 C ATOM 794 CD PRO A 74 -5.224 9.640 -6.080 1.00 0.00 C ATOM 0 HA PRO A 74 -4.215 7.315 -3.903 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.218 8.880 -4.936 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -2.956 7.662 -5.957 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.304 10.613 -5.994 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -3.461 9.462 -7.306 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -5.590 10.618 -5.766 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.739 9.390 -7.008 1.00 0.00 H new ATOM 802 N SER A 75 -4.802 10.306 -3.077 1.00 0.00 N ATOM 803 CA SER A 75 -4.673 11.325 -2.049 1.00 0.00 C ATOM 804 C SER A 75 -5.238 10.863 -0.708 1.00 0.00 C ATOM 805 O SER A 75 -5.333 11.641 0.237 1.00 0.00 O ATOM 806 CB SER A 75 -5.386 12.592 -2.512 1.00 0.00 C ATOM 807 OG SER A 75 -6.680 12.287 -3.012 1.00 0.00 O ATOM 0 H SER A 75 -5.545 10.489 -3.752 1.00 0.00 H new ATOM 0 HA SER A 75 -3.612 11.524 -1.897 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.468 13.293 -1.681 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.798 13.083 -3.287 1.00 0.00 H new ATOM 0 HG SER A 75 -7.122 13.112 -3.302 1.00 0.00 H new ATOM 813 N GLN A 76 -5.615 9.599 -0.623 1.00 0.00 N ATOM 814 CA GLN A 76 -6.140 9.052 0.615 1.00 0.00 C ATOM 815 C GLN A 76 -4.998 8.653 1.539 1.00 0.00 C ATOM 816 O GLN A 76 -5.170 8.540 2.749 1.00 0.00 O ATOM 817 CB GLN A 76 -7.039 7.847 0.325 1.00 0.00 C ATOM 818 CG GLN A 76 -8.205 8.172 -0.597 1.00 0.00 C ATOM 819 CD GLN A 76 -9.013 9.361 -0.116 1.00 0.00 C ATOM 820 OE1 GLN A 76 -8.735 10.503 -0.480 1.00 0.00 O ATOM 821 NE2 GLN A 76 -10.016 9.103 0.707 1.00 0.00 N ATOM 0 H GLN A 76 -5.567 8.934 -1.395 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.737 9.817 1.110 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.439 7.055 -0.125 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.427 7.458 1.266 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.826 8.376 -1.598 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.856 7.302 -0.674 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -10.214 8.142 0.985 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -10.592 9.865 1.064 1.00 0.00 H new ATOM 830 N ALA A 77 -3.819 8.484 0.960 1.00 0.00 N ATOM 831 CA ALA A 77 -2.662 8.018 1.710 1.00 0.00 C ATOM 832 C ALA A 77 -1.796 9.183 2.174 1.00 0.00 C ATOM 833 O ALA A 77 -0.651 8.991 2.590 1.00 0.00 O ATOM 834 CB ALA A 77 -1.839 7.059 0.868 1.00 0.00 C ATOM 0 H ALA A 77 -3.638 8.663 -0.028 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.026 7.495 2.594 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.977 6.719 1.442 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.451 6.201 0.590 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.497 7.568 -0.033 1.00 0.00 H new ATOM 840 N SER A 78 -2.351 10.388 2.103 1.00 0.00 N ATOM 841 CA SER A 78 -1.642 11.592 2.523 1.00 0.00 C ATOM 842 C SER A 78 -1.111 11.454 3.948 1.00 0.00 C ATOM 843 O SER A 78 -0.015 11.917 4.257 1.00 0.00 O ATOM 844 CB SER A 78 -2.568 12.802 2.427 1.00 0.00 C ATOM 845 OG SER A 78 -3.069 12.953 1.110 1.00 0.00 O ATOM 0 H SER A 78 -3.295 10.558 1.756 1.00 0.00 H new ATOM 0 HA SER A 78 -0.791 11.733 1.857 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.397 12.686 3.125 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.028 13.702 2.720 1.00 0.00 H new ATOM 0 HG SER A 78 -3.874 12.405 1.001 1.00 0.00 H new ATOM 851 N LYS A 79 -1.888 10.790 4.799 1.00 0.00 N ATOM 852 CA LYS A 79 -1.526 10.607 6.198 1.00 0.00 C ATOM 853 C LYS A 79 -0.213 9.833 6.323 1.00 0.00 C ATOM 854 O LYS A 79 0.617 10.133 7.183 1.00 0.00 O ATOM 855 CB LYS A 79 -2.648 9.872 6.937 1.00 0.00 C ATOM 856 CG LYS A 79 -2.590 10.025 8.445 1.00 0.00 C ATOM 857 CD LYS A 79 -2.672 11.491 8.845 1.00 0.00 C ATOM 858 CE LYS A 79 -2.785 11.665 10.347 1.00 0.00 C ATOM 859 NZ LYS A 79 -2.807 13.101 10.734 1.00 0.00 N ATOM 0 H LYS A 79 -2.779 10.367 4.540 1.00 0.00 H new ATOM 0 HA LYS A 79 -1.386 11.589 6.650 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -3.609 10.242 6.580 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.602 8.812 6.687 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.411 9.472 8.903 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -1.664 9.592 8.823 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -1.787 12.015 8.485 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -3.533 11.951 8.361 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -3.693 11.178 10.702 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -1.946 11.169 10.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -2.765 13.182 11.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -1.988 13.586 10.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -3.684 13.541 10.387 1.00 0.00 H new ATOM 872 N VAL A 80 -0.024 8.852 5.445 1.00 0.00 N ATOM 873 CA VAL A 80 1.198 8.057 5.435 1.00 0.00 C ATOM 874 C VAL A 80 2.379 8.931 5.036 1.00 0.00 C ATOM 875 O VAL A 80 3.418 8.931 5.696 1.00 0.00 O ATOM 876 CB VAL A 80 1.096 6.854 4.464 1.00 0.00 C ATOM 877 CG1 VAL A 80 2.406 6.078 4.413 1.00 0.00 C ATOM 878 CG2 VAL A 80 -0.047 5.935 4.865 1.00 0.00 C ATOM 0 H VAL A 80 -0.703 8.589 4.731 1.00 0.00 H new ATOM 0 HA VAL A 80 1.344 7.666 6.442 1.00 0.00 H new ATOM 0 HB VAL A 80 0.894 7.246 3.467 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.306 5.239 3.724 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.205 6.735 4.071 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.646 5.703 5.408 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.101 5.097 4.170 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.125 5.560 5.874 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.985 6.489 4.839 1.00 0.00 H new ATOM 888 N CYS A 81 2.198 9.699 3.970 1.00 0.00 N ATOM 889 CA CYS A 81 3.237 10.596 3.490 1.00 0.00 C ATOM 890 C CYS A 81 3.606 11.611 4.572 1.00 0.00 C ATOM 891 O CYS A 81 4.782 11.885 4.800 1.00 0.00 O ATOM 892 CB CYS A 81 2.773 11.316 2.221 1.00 0.00 C ATOM 893 SG CYS A 81 2.062 10.207 0.961 1.00 0.00 S ATOM 0 H CYS A 81 1.339 9.718 3.421 1.00 0.00 H new ATOM 0 HA CYS A 81 4.122 10.006 3.252 1.00 0.00 H new ATOM 0 HB2 CYS A 81 2.030 12.066 2.492 1.00 0.00 H new ATOM 0 HB3 CYS A 81 3.619 11.848 1.787 1.00 0.00 H new ATOM 898 N GLN A 82 2.594 12.137 5.259 1.00 0.00 N ATOM 899 CA GLN A 82 2.809 13.114 6.321 1.00 0.00 C ATOM 900 C GLN A 82 3.627 12.517 7.461 1.00 0.00 C ATOM 901 O GLN A 82 4.544 13.156 7.975 1.00 0.00 O ATOM 902 CB GLN A 82 1.473 13.633 6.860 1.00 0.00 C ATOM 903 CG GLN A 82 0.675 14.434 5.848 1.00 0.00 C ATOM 904 CD GLN A 82 -0.672 14.872 6.386 1.00 0.00 C ATOM 905 OE1 GLN A 82 -1.268 14.200 7.229 1.00 0.00 O ATOM 906 NE2 GLN A 82 -1.159 16.006 5.910 1.00 0.00 N ATOM 0 H GLN A 82 1.615 11.901 5.098 1.00 0.00 H new ATOM 0 HA GLN A 82 3.366 13.947 5.892 1.00 0.00 H new ATOM 0 HB2 GLN A 82 0.873 12.787 7.194 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.662 14.255 7.735 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.248 15.313 5.552 1.00 0.00 H new ATOM 0 HG3 GLN A 82 0.526 13.834 4.950 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -0.634 16.533 5.212 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -2.059 16.353 6.241 1.00 0.00 H new ATOM 915 N ARG A 83 3.311 11.285 7.846 1.00 0.00 N ATOM 916 CA ARG A 83 4.018 10.639 8.946 1.00 0.00 C ATOM 917 C ARG A 83 5.423 10.203 8.529 1.00 0.00 C ATOM 918 O ARG A 83 6.256 9.876 9.376 1.00 0.00 O ATOM 919 CB ARG A 83 3.221 9.454 9.498 1.00 0.00 C ATOM 920 CG ARG A 83 1.931 9.858 10.208 1.00 0.00 C ATOM 921 CD ARG A 83 2.164 11.006 11.183 1.00 0.00 C ATOM 922 NE ARG A 83 1.030 11.222 12.080 1.00 0.00 N ATOM 923 CZ ARG A 83 0.261 12.308 12.062 1.00 0.00 C ATOM 924 NH1 ARG A 83 0.368 13.188 11.077 1.00 0.00 N ATOM 925 NH2 ARG A 83 -0.653 12.495 13.002 1.00 0.00 N ATOM 0 H ARG A 83 2.578 10.719 7.418 1.00 0.00 H new ATOM 0 HA ARG A 83 4.121 11.376 9.743 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.978 8.778 8.678 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.849 8.898 10.194 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.185 10.153 9.470 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.526 9.000 10.745 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.056 10.800 11.775 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.358 11.920 10.622 1.00 0.00 H new ATOM 0 HE ARG A 83 0.815 10.495 12.762 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.042 13.035 10.327 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.224 14.019 11.069 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -0.770 11.805 13.744 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -1.240 13.329 12.984 1.00 0.00 H new ATOM 938 N LEU A 84 5.680 10.201 7.224 1.00 0.00 N ATOM 939 CA LEU A 84 7.026 9.965 6.702 1.00 0.00 C ATOM 940 C LEU A 84 7.750 11.291 6.460 1.00 0.00 C ATOM 941 O LEU A 84 8.821 11.320 5.850 1.00 0.00 O ATOM 942 CB LEU A 84 6.980 9.159 5.397 1.00 0.00 C ATOM 943 CG LEU A 84 7.160 7.644 5.543 1.00 0.00 C ATOM 944 CD1 LEU A 84 5.997 7.007 6.288 1.00 0.00 C ATOM 945 CD2 LEU A 84 7.324 7.003 4.175 1.00 0.00 C ATOM 0 H LEU A 84 4.973 10.360 6.506 1.00 0.00 H new ATOM 0 HA LEU A 84 7.572 9.389 7.449 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.024 9.347 4.909 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.757 9.536 4.732 1.00 0.00 H new ATOM 0 HG LEU A 84 8.061 7.472 6.132 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.162 5.933 6.371 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.923 7.440 7.285 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.071 7.191 5.743 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.451 5.927 4.290 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.438 7.201 3.572 1.00 0.00 H new ATOM 0 HD23 LEU A 84 8.201 7.421 3.680 1.00 0.00 H new ATOM 957 N ASN A 85 7.148 12.380 6.945 1.00 0.00 N ATOM 958 CA ASN A 85 7.693 13.731 6.781 1.00 0.00 C ATOM 959 C ASN A 85 7.772 14.122 5.311 1.00 0.00 C ATOM 960 O ASN A 85 8.726 14.771 4.876 1.00 0.00 O ATOM 961 CB ASN A 85 9.074 13.876 7.436 1.00 0.00 C ATOM 962 CG ASN A 85 9.008 13.953 8.948 1.00 0.00 C ATOM 963 OD1 ASN A 85 8.135 13.360 9.581 1.00 0.00 O ATOM 964 ND2 ASN A 85 9.924 14.705 9.538 1.00 0.00 N ATOM 0 H ASN A 85 6.269 12.351 7.462 1.00 0.00 H new ATOM 0 HA ASN A 85 7.005 14.408 7.287 1.00 0.00 H new ATOM 0 HB2 ASN A 85 9.697 13.029 7.148 1.00 0.00 H new ATOM 0 HB3 ASN A 85 9.559 14.774 7.053 1.00 0.00 H new ATOM 0 HD21 ASN A 85 9.922 14.809 10.553 1.00 0.00 H new ATOM 0 HD22 ASN A 85 10.631 15.181 8.978 1.00 0.00 H new ATOM 971 N CYS A 86 6.763 13.728 4.552 1.00 0.00 N ATOM 972 CA CYS A 86 6.688 14.060 3.141 1.00 0.00 C ATOM 973 C CYS A 86 5.445 14.894 2.865 1.00 0.00 C ATOM 974 O CYS A 86 4.624 15.110 3.758 1.00 0.00 O ATOM 975 CB CYS A 86 6.668 12.786 2.296 1.00 0.00 C ATOM 976 SG CYS A 86 8.163 11.757 2.458 1.00 0.00 S ATOM 0 H CYS A 86 5.979 13.173 4.894 1.00 0.00 H new ATOM 0 HA CYS A 86 7.569 14.642 2.871 1.00 0.00 H new ATOM 0 HB2 CYS A 86 5.799 12.191 2.577 1.00 0.00 H new ATOM 0 HB3 CYS A 86 6.541 13.060 1.249 1.00 0.00 H new ATOM 981 N GLY A 87 5.306 15.354 1.634 1.00 0.00 N ATOM 982 CA GLY A 87 4.195 16.208 1.285 1.00 0.00 C ATOM 983 C GLY A 87 2.955 15.438 0.881 1.00 0.00 C ATOM 984 O GLY A 87 2.303 14.801 1.714 1.00 0.00 O ATOM 0 H GLY A 87 5.946 15.150 0.867 1.00 0.00 H new ATOM 0 HA2 GLY A 87 3.957 16.848 2.134 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.492 16.863 0.465 1.00 0.00 H new ATOM 988 N ASP A 88 2.633 15.497 -0.400 1.00 0.00 N ATOM 989 CA ASP A 88 1.410 14.900 -0.917 1.00 0.00 C ATOM 990 C ASP A 88 1.700 13.576 -1.612 1.00 0.00 C ATOM 991 O ASP A 88 2.809 13.356 -2.103 1.00 0.00 O ATOM 992 CB ASP A 88 0.742 15.851 -1.911 1.00 0.00 C ATOM 993 CG ASP A 88 0.455 17.215 -1.324 1.00 0.00 C ATOM 994 OD1 ASP A 88 -0.533 17.359 -0.577 1.00 0.00 O ATOM 995 OD2 ASP A 88 1.212 18.161 -1.621 1.00 0.00 O ATOM 0 H ASP A 88 3.206 15.956 -1.108 1.00 0.00 H new ATOM 0 HA ASP A 88 0.744 14.717 -0.074 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.385 15.965 -2.784 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -0.191 15.408 -2.258 1.00 0.00 H new ATOM 1000 N PRO A 89 0.709 12.674 -1.654 1.00 0.00 N ATOM 1001 CA PRO A 89 0.824 11.415 -2.373 1.00 0.00 C ATOM 1002 C PRO A 89 0.535 11.593 -3.863 1.00 0.00 C ATOM 1003 O PRO A 89 -0.617 11.751 -4.280 1.00 0.00 O ATOM 1004 CB PRO A 89 -0.226 10.531 -1.711 1.00 0.00 C ATOM 1005 CG PRO A 89 -1.264 11.467 -1.195 1.00 0.00 C ATOM 1006 CD PRO A 89 -0.602 12.811 -0.997 1.00 0.00 C ATOM 0 HA PRO A 89 1.828 10.993 -2.325 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -0.653 9.826 -2.425 1.00 0.00 H new ATOM 0 HB3 PRO A 89 0.209 9.943 -0.903 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -2.093 11.547 -1.899 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -1.678 11.101 -0.256 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.189 13.613 -1.445 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -0.493 13.048 0.061 1.00 0.00 H new ATOM 1014 N LEU A 90 1.594 11.569 -4.653 1.00 0.00 N ATOM 1015 CA LEU A 90 1.502 11.803 -6.087 1.00 0.00 C ATOM 1016 C LEU A 90 0.806 10.647 -6.796 1.00 0.00 C ATOM 1017 O LEU A 90 0.058 10.851 -7.754 1.00 0.00 O ATOM 1018 CB LEU A 90 2.902 12.008 -6.675 1.00 0.00 C ATOM 1019 CG LEU A 90 3.211 13.428 -7.156 1.00 0.00 C ATOM 1020 CD1 LEU A 90 4.700 13.586 -7.441 1.00 0.00 C ATOM 1021 CD2 LEU A 90 2.396 13.754 -8.402 1.00 0.00 C ATOM 0 H LEU A 90 2.541 11.387 -4.321 1.00 0.00 H new ATOM 0 HA LEU A 90 0.906 12.702 -6.243 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.638 11.730 -5.921 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.029 11.323 -7.513 1.00 0.00 H new ATOM 0 HG LEU A 90 2.936 14.126 -6.366 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.899 14.602 -7.782 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.267 13.390 -6.531 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.999 12.879 -8.214 1.00 0.00 H new ATOM 0 HD21 LEU A 90 2.626 14.767 -8.733 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.645 13.048 -9.195 1.00 0.00 H new ATOM 0 HD23 LEU A 90 1.333 13.680 -8.171 1.00 0.00 H new ATOM 1033 N SER A 91 1.061 9.434 -6.334 1.00 0.00 N ATOM 1034 CA SER A 91 0.480 8.251 -6.949 1.00 0.00 C ATOM 1035 C SER A 91 0.387 7.103 -5.952 1.00 0.00 C ATOM 1036 O SER A 91 1.206 6.997 -5.035 1.00 0.00 O ATOM 1037 CB SER A 91 1.310 7.816 -8.161 1.00 0.00 C ATOM 1038 OG SER A 91 1.375 8.842 -9.138 1.00 0.00 O ATOM 0 H SER A 91 1.666 9.242 -5.536 1.00 0.00 H new ATOM 0 HA SER A 91 -0.527 8.508 -7.277 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.318 7.554 -7.839 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.873 6.920 -8.601 1.00 0.00 H new ATOM 0 HG SER A 91 1.912 8.536 -9.898 1.00 0.00 H new ATOM 1044 N LEU A 92 -0.617 6.259 -6.138 1.00 0.00 N ATOM 1045 CA LEU A 92 -0.794 5.067 -5.324 1.00 0.00 C ATOM 1046 C LEU A 92 -1.443 3.986 -6.176 1.00 0.00 C ATOM 1047 O LEU A 92 -2.557 4.157 -6.668 1.00 0.00 O ATOM 1048 CB LEU A 92 -1.653 5.373 -4.088 1.00 0.00 C ATOM 1049 CG LEU A 92 -1.733 4.256 -3.035 1.00 0.00 C ATOM 1050 CD1 LEU A 92 -2.077 4.835 -1.678 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -2.774 3.210 -3.412 1.00 0.00 C ATOM 0 H LEU A 92 -1.331 6.381 -6.856 1.00 0.00 H new ATOM 0 HA LEU A 92 0.177 4.720 -4.970 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.260 6.270 -3.609 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.665 5.606 -4.421 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.756 3.775 -2.993 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.130 4.032 -0.943 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.308 5.548 -1.381 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.041 5.342 -1.732 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.805 2.435 -2.646 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.753 3.683 -3.489 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.510 2.763 -4.370 1.00 0.00 H new ATOM 1063 N GLY A 93 -0.736 2.890 -6.363 1.00 0.00 N ATOM 1064 CA GLY A 93 -1.235 1.815 -7.194 1.00 0.00 C ATOM 1065 C GLY A 93 -0.098 1.007 -7.779 1.00 0.00 C ATOM 1066 O GLY A 93 0.914 0.823 -7.115 1.00 0.00 O ATOM 0 H GLY A 93 0.182 2.721 -5.952 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.881 1.165 -6.604 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.845 2.226 -7.998 1.00 0.00 H new ATOM 1070 N PRO A 94 -0.221 0.518 -9.023 1.00 0.00 N ATOM 1071 CA PRO A 94 0.851 -0.242 -9.673 1.00 0.00 C ATOM 1072 C PRO A 94 2.117 0.598 -9.846 1.00 0.00 C ATOM 1073 O PRO A 94 2.214 1.416 -10.763 1.00 0.00 O ATOM 1074 CB PRO A 94 0.259 -0.619 -11.039 1.00 0.00 C ATOM 1075 CG PRO A 94 -0.868 0.333 -11.257 1.00 0.00 C ATOM 1076 CD PRO A 94 -1.401 0.664 -9.892 1.00 0.00 C ATOM 0 HA PRO A 94 1.155 -1.108 -9.084 1.00 0.00 H new ATOM 0 HB2 PRO A 94 1.005 -0.532 -11.829 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -0.092 -1.651 -11.044 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -0.526 1.231 -11.771 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -1.642 -0.115 -11.880 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -1.807 1.675 -9.853 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -2.203 -0.013 -9.598 1.00 0.00 H new ATOM 1084 N PHE A 95 3.075 0.405 -8.945 1.00 0.00 N ATOM 1085 CA PHE A 95 4.318 1.166 -8.974 1.00 0.00 C ATOM 1086 C PHE A 95 5.411 0.359 -9.664 1.00 0.00 C ATOM 1087 O PHE A 95 5.998 0.802 -10.652 1.00 0.00 O ATOM 1088 CB PHE A 95 4.741 1.544 -7.547 1.00 0.00 C ATOM 1089 CG PHE A 95 5.947 2.441 -7.477 1.00 0.00 C ATOM 1090 CD1 PHE A 95 5.845 3.787 -7.796 1.00 0.00 C ATOM 1091 CD2 PHE A 95 7.180 1.940 -7.094 1.00 0.00 C ATOM 1092 CE1 PHE A 95 6.952 4.613 -7.730 1.00 0.00 C ATOM 1093 CE2 PHE A 95 8.289 2.761 -7.028 1.00 0.00 C ATOM 1094 CZ PHE A 95 8.175 4.100 -7.346 1.00 0.00 C ATOM 0 H PHE A 95 3.014 -0.273 -8.185 1.00 0.00 H new ATOM 0 HA PHE A 95 4.158 2.084 -9.540 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.905 2.038 -7.052 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.948 0.631 -6.988 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.892 4.194 -8.099 1.00 0.00 H new ATOM 0 HD2 PHE A 95 7.276 0.894 -6.844 1.00 0.00 H new ATOM 0 HE1 PHE A 95 6.860 5.660 -7.979 1.00 0.00 H new ATOM 0 HE2 PHE A 95 9.244 2.356 -6.728 1.00 0.00 H new ATOM 0 HZ PHE A 95 9.040 4.744 -7.294 1.00 0.00 H new ATOM 1104 N LEU A 96 5.666 -0.836 -9.149 1.00 0.00 N ATOM 1105 CA LEU A 96 6.660 -1.727 -9.727 1.00 0.00 C ATOM 1106 C LEU A 96 6.062 -3.107 -9.937 1.00 0.00 C ATOM 1107 O LEU A 96 4.887 -3.338 -9.641 1.00 0.00 O ATOM 1108 CB LEU A 96 7.909 -1.826 -8.839 1.00 0.00 C ATOM 1109 CG LEU A 96 8.811 -0.587 -8.834 1.00 0.00 C ATOM 1110 CD1 LEU A 96 10.076 -0.849 -8.028 1.00 0.00 C ATOM 1111 CD2 LEU A 96 9.159 -0.177 -10.258 1.00 0.00 C ATOM 0 H LEU A 96 5.194 -1.212 -8.326 1.00 0.00 H new ATOM 0 HA LEU A 96 6.963 -1.313 -10.689 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.592 -2.028 -7.816 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.499 -2.683 -9.165 1.00 0.00 H new ATOM 0 HG LEU A 96 8.269 0.232 -8.362 1.00 0.00 H new ATOM 0 HD11 LEU A 96 10.704 0.042 -8.036 1.00 0.00 H new ATOM 0 HD12 LEU A 96 9.808 -1.095 -7.000 1.00 0.00 H new ATOM 0 HD13 LEU A 96 10.623 -1.682 -8.470 1.00 0.00 H new ATOM 0 HD21 LEU A 96 9.800 0.704 -10.237 1.00 0.00 H new ATOM 0 HD22 LEU A 96 9.682 -0.994 -10.754 1.00 0.00 H new ATOM 0 HD23 LEU A 96 8.244 0.053 -10.804 1.00 0.00 H new ATOM 1123 N LYS A 97 6.873 -4.024 -10.436 1.00 0.00 N ATOM 1124 CA LYS A 97 6.405 -5.356 -10.769 1.00 0.00 C ATOM 1125 C LYS A 97 7.227 -6.403 -10.031 1.00 0.00 C ATOM 1126 O LYS A 97 7.842 -7.276 -10.642 1.00 0.00 O ATOM 1127 CB LYS A 97 6.472 -5.575 -12.286 1.00 0.00 C ATOM 1128 CG LYS A 97 5.623 -4.584 -13.071 1.00 0.00 C ATOM 1129 CD LYS A 97 5.656 -4.854 -14.568 1.00 0.00 C ATOM 1130 CE LYS A 97 4.824 -3.831 -15.326 1.00 0.00 C ATOM 1131 NZ LYS A 97 5.342 -2.449 -15.130 1.00 0.00 N ATOM 0 H LYS A 97 7.864 -3.868 -10.620 1.00 0.00 H new ATOM 0 HA LYS A 97 5.366 -5.456 -10.455 1.00 0.00 H new ATOM 0 HB2 LYS A 97 7.509 -5.495 -12.613 1.00 0.00 H new ATOM 0 HB3 LYS A 97 6.143 -6.588 -12.516 1.00 0.00 H new ATOM 0 HG2 LYS A 97 4.593 -4.632 -12.718 1.00 0.00 H new ATOM 0 HG3 LYS A 97 5.979 -3.572 -12.879 1.00 0.00 H new ATOM 0 HD2 LYS A 97 6.686 -4.825 -14.923 1.00 0.00 H new ATOM 0 HD3 LYS A 97 5.277 -5.856 -14.769 1.00 0.00 H new ATOM 0 HE2 LYS A 97 4.827 -4.074 -16.389 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.788 -3.883 -14.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 4.939 -1.821 -15.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 5.071 -2.107 -14.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 6.379 -2.452 -15.213 1.00 0.00 H new ATOM 1144 N THR A 98 7.238 -6.293 -8.710 1.00 0.00 N ATOM 1145 CA THR A 98 7.952 -7.230 -7.860 1.00 0.00 C ATOM 1146 C THR A 98 7.299 -8.608 -7.919 1.00 0.00 C ATOM 1147 O THR A 98 7.981 -9.620 -8.086 1.00 0.00 O ATOM 1148 CB THR A 98 7.955 -6.730 -6.403 1.00 0.00 C ATOM 1149 OG1 THR A 98 8.271 -5.332 -6.374 1.00 0.00 O ATOM 1150 CG2 THR A 98 8.961 -7.500 -5.559 1.00 0.00 C ATOM 0 H THR A 98 6.754 -5.554 -8.201 1.00 0.00 H new ATOM 0 HA THR A 98 8.978 -7.304 -8.220 1.00 0.00 H new ATOM 0 HB THR A 98 6.962 -6.893 -5.984 1.00 0.00 H new ATOM 0 HG1 THR A 98 8.271 -5.016 -5.446 1.00 0.00 H new ATOM 0 HG21 THR A 98 8.940 -7.125 -4.536 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.704 -8.559 -5.562 1.00 0.00 H new ATOM 0 HG23 THR A 98 9.960 -7.368 -5.974 1.00 0.00 H new ATOM 1158 N TYR A 99 5.970 -8.617 -7.803 1.00 0.00 N ATOM 1159 CA TYR A 99 5.172 -9.845 -7.851 1.00 0.00 C ATOM 1160 C TYR A 99 5.670 -10.887 -6.851 1.00 0.00 C ATOM 1161 O TYR A 99 6.426 -11.794 -7.204 1.00 0.00 O ATOM 1162 CB TYR A 99 5.156 -10.447 -9.262 1.00 0.00 C ATOM 1163 CG TYR A 99 4.530 -9.546 -10.306 1.00 0.00 C ATOM 1164 CD1 TYR A 99 3.240 -9.056 -10.148 1.00 0.00 C ATOM 1165 CD2 TYR A 99 5.230 -9.186 -11.451 1.00 0.00 C ATOM 1166 CE1 TYR A 99 2.669 -8.231 -11.096 1.00 0.00 C ATOM 1167 CE2 TYR A 99 4.663 -8.364 -12.403 1.00 0.00 C ATOM 1168 CZ TYR A 99 3.384 -7.890 -12.221 1.00 0.00 C ATOM 1169 OH TYR A 99 2.823 -7.060 -13.163 1.00 0.00 O ATOM 0 H TYR A 99 5.415 -7.771 -7.673 1.00 0.00 H new ATOM 0 HA TYR A 99 4.155 -9.565 -7.576 1.00 0.00 H new ATOM 0 HB2 TYR A 99 6.179 -10.676 -9.560 1.00 0.00 H new ATOM 0 HB3 TYR A 99 4.612 -11.391 -9.238 1.00 0.00 H new ATOM 0 HD1 TYR A 99 2.674 -9.325 -9.268 1.00 0.00 H new ATOM 0 HD2 TYR A 99 6.234 -9.556 -11.598 1.00 0.00 H new ATOM 0 HE1 TYR A 99 1.666 -7.855 -10.955 1.00 0.00 H new ATOM 0 HE2 TYR A 99 5.221 -8.094 -13.287 1.00 0.00 H new ATOM 0 HH TYR A 99 1.991 -6.681 -12.811 1.00 0.00 H new ATOM 1179 N THR A 100 5.242 -10.753 -5.606 1.00 0.00 N ATOM 1180 CA THR A 100 5.546 -11.743 -4.589 1.00 0.00 C ATOM 1181 C THR A 100 4.280 -12.516 -4.233 1.00 0.00 C ATOM 1182 O THR A 100 3.568 -12.148 -3.296 1.00 0.00 O ATOM 1183 CB THR A 100 6.121 -11.087 -3.315 1.00 0.00 C ATOM 1184 OG1 THR A 100 7.161 -10.166 -3.662 1.00 0.00 O ATOM 1185 CG2 THR A 100 6.671 -12.140 -2.362 1.00 0.00 C ATOM 0 H THR A 100 4.682 -9.967 -5.276 1.00 0.00 H new ATOM 0 HA THR A 100 6.299 -12.420 -4.993 1.00 0.00 H new ATOM 0 HB THR A 100 5.313 -10.552 -2.816 1.00 0.00 H new ATOM 0 HG1 THR A 100 6.899 -9.260 -3.395 1.00 0.00 H new ATOM 0 HG21 THR A 100 7.070 -11.653 -1.472 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.872 -12.823 -2.074 1.00 0.00 H new ATOM 0 HG23 THR A 100 7.465 -12.699 -2.857 1.00 0.00 H new ATOM 1193 N PRO A 101 3.980 -13.594 -4.980 1.00 0.00 N ATOM 1194 CA PRO A 101 2.739 -14.362 -4.830 1.00 0.00 C ATOM 1195 C PRO A 101 2.724 -15.220 -3.568 1.00 0.00 C ATOM 1196 O PRO A 101 2.496 -16.425 -3.627 1.00 0.00 O ATOM 1197 CB PRO A 101 2.699 -15.257 -6.077 1.00 0.00 C ATOM 1198 CG PRO A 101 3.806 -14.772 -6.954 1.00 0.00 C ATOM 1199 CD PRO A 101 4.820 -14.160 -6.035 1.00 0.00 C ATOM 0 HA PRO A 101 1.877 -13.701 -4.737 1.00 0.00 H new ATOM 0 HB2 PRO A 101 2.839 -16.305 -5.812 1.00 0.00 H new ATOM 0 HB3 PRO A 101 1.736 -15.182 -6.583 1.00 0.00 H new ATOM 0 HG2 PRO A 101 4.241 -15.593 -7.524 1.00 0.00 H new ATOM 0 HG3 PRO A 101 3.441 -14.041 -7.675 1.00 0.00 H new ATOM 0 HD2 PRO A 101 5.517 -14.902 -5.646 1.00 0.00 H new ATOM 0 HD3 PRO A 101 5.415 -13.396 -6.536 1.00 0.00 H new ATOM 1207 N GLN A 102 2.981 -14.577 -2.441 1.00 0.00 N ATOM 1208 CA GLN A 102 2.931 -15.208 -1.131 1.00 0.00 C ATOM 1209 C GLN A 102 2.702 -14.142 -0.067 1.00 0.00 C ATOM 1210 O GLN A 102 1.705 -14.166 0.647 1.00 0.00 O ATOM 1211 CB GLN A 102 4.222 -15.979 -0.818 1.00 0.00 C ATOM 1212 CG GLN A 102 4.308 -17.344 -1.483 1.00 0.00 C ATOM 1213 CD GLN A 102 5.549 -18.114 -1.085 1.00 0.00 C ATOM 1214 OE1 GLN A 102 5.547 -18.843 -0.093 1.00 0.00 O ATOM 1215 NE2 GLN A 102 6.610 -17.977 -1.863 1.00 0.00 N ATOM 0 H GLN A 102 3.234 -13.589 -2.409 1.00 0.00 H new ATOM 0 HA GLN A 102 2.109 -15.924 -1.133 1.00 0.00 H new ATOM 0 HB2 GLN A 102 5.076 -15.379 -1.133 1.00 0.00 H new ATOM 0 HB3 GLN A 102 4.303 -16.107 0.261 1.00 0.00 H new ATOM 0 HG2 GLN A 102 3.425 -17.927 -1.221 1.00 0.00 H new ATOM 0 HG3 GLN A 102 4.297 -17.217 -2.566 1.00 0.00 H new ATOM 0 HE21 GLN A 102 6.570 -17.362 -2.676 1.00 0.00 H new ATOM 0 HE22 GLN A 102 7.468 -18.486 -1.650 1.00 0.00 H new ATOM 1224 N SER A 103 3.628 -13.192 0.010 1.00 0.00 N ATOM 1225 CA SER A 103 3.566 -12.143 1.018 1.00 0.00 C ATOM 1226 C SER A 103 2.640 -11.011 0.578 1.00 0.00 C ATOM 1227 O SER A 103 2.281 -10.151 1.383 1.00 0.00 O ATOM 1228 CB SER A 103 4.971 -11.601 1.306 1.00 0.00 C ATOM 1229 OG SER A 103 4.962 -10.695 2.399 1.00 0.00 O ATOM 0 H SER A 103 4.431 -13.128 -0.615 1.00 0.00 H new ATOM 0 HA SER A 103 3.159 -12.575 1.932 1.00 0.00 H new ATOM 0 HB2 SER A 103 5.645 -12.430 1.524 1.00 0.00 H new ATOM 0 HB3 SER A 103 5.358 -11.100 0.419 1.00 0.00 H new ATOM 0 HG SER A 103 4.108 -10.765 2.875 1.00 0.00 H new ATOM 1235 N SER A 104 2.257 -11.015 -0.692 1.00 0.00 N ATOM 1236 CA SER A 104 1.350 -10.004 -1.211 1.00 0.00 C ATOM 1237 C SER A 104 -0.047 -10.212 -0.629 1.00 0.00 C ATOM 1238 O SER A 104 -0.508 -11.350 -0.478 1.00 0.00 O ATOM 1239 CB SER A 104 1.315 -10.052 -2.744 1.00 0.00 C ATOM 1240 OG SER A 104 0.536 -8.997 -3.280 1.00 0.00 O ATOM 0 H SER A 104 2.560 -11.706 -1.379 1.00 0.00 H new ATOM 0 HA SER A 104 1.708 -9.019 -0.913 1.00 0.00 H new ATOM 0 HB2 SER A 104 2.331 -9.990 -3.134 1.00 0.00 H new ATOM 0 HB3 SER A 104 0.907 -11.009 -3.070 1.00 0.00 H new ATOM 0 HG SER A 104 0.290 -9.209 -4.205 1.00 0.00 H new ATOM 1246 N ILE A 105 -0.710 -9.123 -0.279 1.00 0.00 N ATOM 1247 CA ILE A 105 -2.022 -9.209 0.338 1.00 0.00 C ATOM 1248 C ILE A 105 -3.066 -8.425 -0.448 1.00 0.00 C ATOM 1249 O ILE A 105 -2.859 -7.263 -0.806 1.00 0.00 O ATOM 1250 CB ILE A 105 -2.011 -8.700 1.802 1.00 0.00 C ATOM 1251 CG1 ILE A 105 -1.430 -7.284 1.875 1.00 0.00 C ATOM 1252 CG2 ILE A 105 -1.234 -9.659 2.695 1.00 0.00 C ATOM 1253 CD1 ILE A 105 -1.517 -6.648 3.248 1.00 0.00 C ATOM 0 H ILE A 105 -0.363 -8.173 -0.411 1.00 0.00 H new ATOM 0 HA ILE A 105 -2.286 -10.266 0.333 1.00 0.00 H new ATOM 0 HB ILE A 105 -3.038 -8.661 2.164 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.385 -7.316 1.567 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -1.954 -6.651 1.159 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.237 -9.286 3.719 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -1.702 -10.643 2.666 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -0.206 -9.735 2.340 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -1.084 -5.648 3.214 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.561 -6.581 3.553 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -0.968 -7.257 3.966 1.00 0.00 H new ATOM 1265 N ILE A 106 -4.175 -9.084 -0.738 1.00 0.00 N ATOM 1266 CA ILE A 106 -5.354 -8.410 -1.248 1.00 0.00 C ATOM 1267 C ILE A 106 -6.287 -8.144 -0.082 1.00 0.00 C ATOM 1268 O ILE A 106 -6.711 -9.073 0.608 1.00 0.00 O ATOM 1269 CB ILE A 106 -6.084 -9.234 -2.334 1.00 0.00 C ATOM 1270 CG1 ILE A 106 -5.309 -9.165 -3.649 1.00 0.00 C ATOM 1271 CG2 ILE A 106 -7.517 -8.747 -2.525 1.00 0.00 C ATOM 1272 CD1 ILE A 106 -5.986 -9.886 -4.796 1.00 0.00 C ATOM 0 H ILE A 106 -4.282 -10.092 -0.627 1.00 0.00 H new ATOM 0 HA ILE A 106 -5.043 -7.479 -1.721 1.00 0.00 H new ATOM 0 HB ILE A 106 -6.130 -10.272 -2.006 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -5.168 -8.119 -3.922 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -4.317 -9.592 -3.498 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -8.005 -9.345 -3.295 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -8.063 -8.847 -1.587 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -7.508 -7.701 -2.830 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -5.376 -9.793 -5.695 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -6.103 -10.940 -4.545 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -6.966 -9.445 -4.975 1.00 0.00 H new ATOM 1284 N CYS A 107 -6.573 -6.883 0.169 1.00 0.00 N ATOM 1285 CA CYS A 107 -7.363 -6.523 1.332 1.00 0.00 C ATOM 1286 C CYS A 107 -8.743 -6.035 0.919 1.00 0.00 C ATOM 1287 O CYS A 107 -8.889 -5.276 -0.038 1.00 0.00 O ATOM 1288 CB CYS A 107 -6.637 -5.462 2.170 1.00 0.00 C ATOM 1289 SG CYS A 107 -7.224 -5.359 3.891 1.00 0.00 S ATOM 0 H CYS A 107 -6.275 -6.097 -0.408 1.00 0.00 H new ATOM 0 HA CYS A 107 -7.491 -7.414 1.946 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -5.569 -5.682 2.172 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -6.761 -4.489 1.694 1.00 0.00 H new ATOM 1294 N TYR A 108 -9.753 -6.490 1.634 1.00 0.00 N ATOM 1295 CA TYR A 108 -11.121 -6.129 1.331 1.00 0.00 C ATOM 1296 C TYR A 108 -11.633 -5.119 2.348 1.00 0.00 C ATOM 1297 O TYR A 108 -11.198 -5.113 3.505 1.00 0.00 O ATOM 1298 CB TYR A 108 -12.013 -7.371 1.325 1.00 0.00 C ATOM 1299 CG TYR A 108 -11.573 -8.431 0.340 1.00 0.00 C ATOM 1300 CD1 TYR A 108 -11.923 -8.346 -1.002 1.00 0.00 C ATOM 1301 CD2 TYR A 108 -10.811 -9.518 0.752 1.00 0.00 C ATOM 1302 CE1 TYR A 108 -11.526 -9.310 -1.906 1.00 0.00 C ATOM 1303 CE2 TYR A 108 -10.409 -10.486 -0.146 1.00 0.00 C ATOM 1304 CZ TYR A 108 -10.769 -10.379 -1.474 1.00 0.00 C ATOM 1305 OH TYR A 108 -10.371 -11.341 -2.373 1.00 0.00 O ATOM 0 H TYR A 108 -9.649 -7.114 2.434 1.00 0.00 H new ATOM 0 HA TYR A 108 -11.150 -5.677 0.339 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -12.028 -7.802 2.326 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -13.035 -7.072 1.091 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -12.516 -7.511 -1.344 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -10.529 -9.607 1.791 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -11.806 -9.228 -2.946 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -9.815 -11.324 0.189 1.00 0.00 H new ATOM 0 HH TYR A 108 -9.844 -12.025 -1.909 1.00 0.00 H new ATOM 1315 N GLY A 109 -12.543 -4.264 1.912 1.00 0.00 N ATOM 1316 CA GLY A 109 -13.087 -3.249 2.787 1.00 0.00 C ATOM 1317 C GLY A 109 -13.173 -1.899 2.110 1.00 0.00 C ATOM 1318 O GLY A 109 -13.524 -1.807 0.934 1.00 0.00 O ATOM 0 H GLY A 109 -12.916 -4.255 0.963 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -14.080 -3.552 3.118 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -12.465 -3.168 3.678 1.00 0.00 H new ATOM 1322 N GLN A 110 -12.842 -0.849 2.844 1.00 0.00 N ATOM 1323 CA GLN A 110 -12.911 0.502 2.315 1.00 0.00 C ATOM 1324 C GLN A 110 -11.518 1.073 2.118 1.00 0.00 C ATOM 1325 O GLN A 110 -10.655 0.928 2.987 1.00 0.00 O ATOM 1326 CB GLN A 110 -13.709 1.405 3.254 1.00 0.00 C ATOM 1327 CG GLN A 110 -15.155 0.970 3.471 1.00 0.00 C ATOM 1328 CD GLN A 110 -16.043 1.113 2.237 1.00 0.00 C ATOM 1329 OE1 GLN A 110 -15.497 0.874 1.054 1.00 0.00 O flip ATOM 1330 NE2 GLN A 110 -17.233 1.407 2.357 1.00 0.00 N flip ATOM 0 H GLN A 110 -12.522 -0.908 3.811 1.00 0.00 H new ATOM 0 HA GLN A 110 -13.414 0.460 1.349 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -13.205 1.440 4.220 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -13.704 2.419 2.854 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -15.165 -0.071 3.793 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -15.582 1.559 4.283 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -17.624 1.585 3.282 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -17.828 1.472 1.531 1.00 0.00 H new ATOM 1339 N LEU A 111 -11.310 1.698 0.961 1.00 0.00 N ATOM 1340 CA LEU A 111 -10.045 2.341 0.630 1.00 0.00 C ATOM 1341 C LEU A 111 -9.605 3.280 1.750 1.00 0.00 C ATOM 1342 O LEU A 111 -10.143 4.377 1.907 1.00 0.00 O ATOM 1343 CB LEU A 111 -10.189 3.104 -0.693 1.00 0.00 C ATOM 1344 CG LEU A 111 -8.954 3.891 -1.146 1.00 0.00 C ATOM 1345 CD1 LEU A 111 -7.750 2.975 -1.292 1.00 0.00 C ATOM 1346 CD2 LEU A 111 -9.236 4.601 -2.461 1.00 0.00 C ATOM 0 H LEU A 111 -12.015 1.772 0.228 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.277 1.576 0.518 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -10.450 2.391 -1.475 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -11.025 3.797 -0.602 1.00 0.00 H new ATOM 0 HG LEU A 111 -8.726 4.635 -0.383 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -6.887 3.557 -1.614 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -7.533 2.504 -0.333 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -7.966 2.206 -2.033 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -8.351 5.156 -2.772 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -9.490 3.866 -3.224 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -10.070 5.291 -2.331 1.00 0.00 H new ATOM 1358 N GLY A 112 -8.638 2.826 2.537 1.00 0.00 N ATOM 1359 CA GLY A 112 -8.176 3.594 3.671 1.00 0.00 C ATOM 1360 C GLY A 112 -8.038 2.749 4.921 1.00 0.00 C ATOM 1361 O GLY A 112 -7.314 3.113 5.850 1.00 0.00 O ATOM 0 H GLY A 112 -8.164 1.932 2.406 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -7.213 4.046 3.433 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -8.873 4.410 3.862 1.00 0.00 H new ATOM 1365 N SER A 113 -8.727 1.616 4.950 1.00 0.00 N ATOM 1366 CA SER A 113 -8.698 0.750 6.113 1.00 0.00 C ATOM 1367 C SER A 113 -8.325 -0.681 5.724 1.00 0.00 C ATOM 1368 O SER A 113 -8.948 -1.286 4.849 1.00 0.00 O ATOM 1369 CB SER A 113 -10.062 0.774 6.807 1.00 0.00 C ATOM 1370 OG SER A 113 -9.999 0.181 8.093 1.00 0.00 O ATOM 0 H SER A 113 -9.309 1.279 4.183 1.00 0.00 H new ATOM 0 HA SER A 113 -7.937 1.119 6.801 1.00 0.00 H new ATOM 0 HB2 SER A 113 -10.408 1.804 6.896 1.00 0.00 H new ATOM 0 HB3 SER A 113 -10.792 0.244 6.196 1.00 0.00 H new ATOM 0 HG SER A 113 -9.684 0.843 8.743 1.00 0.00 H new ATOM 1376 N PHE A 114 -7.304 -1.212 6.378 1.00 0.00 N ATOM 1377 CA PHE A 114 -6.876 -2.587 6.161 1.00 0.00 C ATOM 1378 C PHE A 114 -7.611 -3.504 7.130 1.00 0.00 C ATOM 1379 O PHE A 114 -7.039 -4.004 8.099 1.00 0.00 O ATOM 1380 CB PHE A 114 -5.359 -2.717 6.347 1.00 0.00 C ATOM 1381 CG PHE A 114 -4.551 -2.020 5.288 1.00 0.00 C ATOM 1382 CD1 PHE A 114 -4.280 -0.662 5.380 1.00 0.00 C ATOM 1383 CD2 PHE A 114 -4.057 -2.724 4.203 1.00 0.00 C ATOM 1384 CE1 PHE A 114 -3.532 -0.024 4.411 1.00 0.00 C ATOM 1385 CE2 PHE A 114 -3.310 -2.091 3.230 1.00 0.00 C ATOM 1386 CZ PHE A 114 -3.046 -0.738 3.333 1.00 0.00 C ATOM 0 H PHE A 114 -6.751 -0.707 7.070 1.00 0.00 H new ATOM 0 HA PHE A 114 -7.116 -2.877 5.138 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -5.087 -2.313 7.322 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -5.094 -3.774 6.355 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -4.659 -0.098 6.219 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -4.259 -3.782 4.117 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -3.327 1.033 4.496 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -2.932 -2.653 2.389 1.00 0.00 H new ATOM 0 HZ PHE A 114 -2.462 -0.241 2.573 1.00 0.00 H new ATOM 1396 N SER A 115 -8.893 -3.695 6.876 1.00 0.00 N ATOM 1397 CA SER A 115 -9.736 -4.480 7.759 1.00 0.00 C ATOM 1398 C SER A 115 -9.603 -5.975 7.474 1.00 0.00 C ATOM 1399 O SER A 115 -9.209 -6.747 8.348 1.00 0.00 O ATOM 1400 CB SER A 115 -11.198 -4.039 7.615 1.00 0.00 C ATOM 1401 OG SER A 115 -12.047 -4.751 8.502 1.00 0.00 O ATOM 0 H SER A 115 -9.375 -3.315 6.061 1.00 0.00 H new ATOM 0 HA SER A 115 -9.407 -4.307 8.784 1.00 0.00 H new ATOM 0 HB2 SER A 115 -11.278 -2.970 7.813 1.00 0.00 H new ATOM 0 HB3 SER A 115 -11.527 -4.198 6.588 1.00 0.00 H new ATOM 0 HG SER A 115 -12.971 -4.445 8.386 1.00 0.00 H new ATOM 1407 N ASN A 116 -9.927 -6.376 6.250 1.00 0.00 N ATOM 1408 CA ASN A 116 -9.975 -7.790 5.900 1.00 0.00 C ATOM 1409 C ASN A 116 -8.950 -8.109 4.823 1.00 0.00 C ATOM 1410 O ASN A 116 -9.290 -8.229 3.647 1.00 0.00 O ATOM 1411 CB ASN A 116 -11.379 -8.169 5.408 1.00 0.00 C ATOM 1412 CG ASN A 116 -12.464 -7.911 6.442 1.00 0.00 C ATOM 1413 OD1 ASN A 116 -12.231 -7.998 7.648 1.00 0.00 O ATOM 1414 ND2 ASN A 116 -13.660 -7.583 5.978 1.00 0.00 N ATOM 0 H ASN A 116 -10.160 -5.743 5.485 1.00 0.00 H new ATOM 0 HA ASN A 116 -9.740 -8.371 6.792 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -11.605 -7.604 4.504 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -11.389 -9.224 5.135 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -14.424 -7.393 6.626 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -13.817 -7.520 4.972 1.00 0.00 H new ATOM 1421 N CYS A 117 -7.698 -8.239 5.217 1.00 0.00 N ATOM 1422 CA CYS A 117 -6.632 -8.494 4.261 1.00 0.00 C ATOM 1423 C CYS A 117 -6.332 -9.989 4.195 1.00 0.00 C ATOM 1424 O CYS A 117 -6.192 -10.651 5.224 1.00 0.00 O ATOM 1425 CB CYS A 117 -5.369 -7.716 4.634 1.00 0.00 C ATOM 1426 SG CYS A 117 -5.624 -5.942 5.006 1.00 0.00 S ATOM 0 H CYS A 117 -7.392 -8.173 6.188 1.00 0.00 H new ATOM 0 HA CYS A 117 -6.963 -8.156 3.279 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -4.913 -8.191 5.503 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -4.655 -7.799 3.814 1.00 0.00 H new ATOM 1431 N SER A 118 -6.243 -10.526 2.985 1.00 0.00 N ATOM 1432 CA SER A 118 -6.030 -11.952 2.804 1.00 0.00 C ATOM 1433 C SER A 118 -4.645 -12.244 2.226 1.00 0.00 C ATOM 1434 O SER A 118 -4.164 -11.539 1.335 1.00 0.00 O ATOM 1435 CB SER A 118 -7.119 -12.520 1.896 1.00 0.00 C ATOM 1436 OG SER A 118 -8.405 -12.258 2.431 1.00 0.00 O ATOM 0 H SER A 118 -6.315 -9.995 2.117 1.00 0.00 H new ATOM 0 HA SER A 118 -6.083 -12.434 3.780 1.00 0.00 H new ATOM 0 HB2 SER A 118 -7.037 -12.080 0.902 1.00 0.00 H new ATOM 0 HB3 SER A 118 -6.980 -13.595 1.781 1.00 0.00 H new ATOM 0 HG SER A 118 -9.089 -12.628 1.835 1.00 0.00 H new ATOM 1442 N HIS A 119 -4.014 -13.288 2.752 1.00 0.00 N ATOM 1443 CA HIS A 119 -2.699 -13.725 2.294 1.00 0.00 C ATOM 1444 C HIS A 119 -2.846 -14.358 0.914 1.00 0.00 C ATOM 1445 O HIS A 119 -3.437 -15.428 0.778 1.00 0.00 O ATOM 1446 CB HIS A 119 -2.125 -14.736 3.294 1.00 0.00 C ATOM 1447 CG HIS A 119 -0.629 -14.805 3.327 1.00 0.00 C ATOM 1448 ND1 HIS A 119 0.078 -15.932 2.983 1.00 0.00 N ATOM 1449 CD2 HIS A 119 0.290 -13.894 3.729 1.00 0.00 C ATOM 1450 CE1 HIS A 119 1.367 -15.719 3.174 1.00 0.00 C ATOM 1451 NE2 HIS A 119 1.522 -14.487 3.626 1.00 0.00 N ATOM 0 H HIS A 119 -4.399 -13.855 3.507 1.00 0.00 H new ATOM 0 HA HIS A 119 -2.017 -12.877 2.227 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -2.485 -14.484 4.291 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -2.515 -15.725 3.054 1.00 0.00 H new ATOM 0 HD2 HIS A 119 0.089 -12.888 4.067 1.00 0.00 H new ATOM 0 HE1 HIS A 119 2.159 -16.430 2.992 1.00 0.00 H new ATOM 0 HE2 HIS A 119 2.413 -14.049 3.860 1.00 0.00 H new ATOM 1459 N SER A 120 -2.330 -13.694 -0.104 1.00 0.00 N ATOM 1460 CA SER A 120 -2.634 -14.073 -1.472 1.00 0.00 C ATOM 1461 C SER A 120 -1.410 -14.622 -2.205 1.00 0.00 C ATOM 1462 O SER A 120 -0.327 -14.042 -2.161 1.00 0.00 O ATOM 1463 CB SER A 120 -3.203 -12.861 -2.207 1.00 0.00 C ATOM 1464 OG SER A 120 -4.253 -12.270 -1.454 1.00 0.00 O ATOM 0 H SER A 120 -1.703 -12.895 -0.011 1.00 0.00 H new ATOM 0 HA SER A 120 -3.370 -14.876 -1.451 1.00 0.00 H new ATOM 0 HB2 SER A 120 -2.414 -12.129 -2.378 1.00 0.00 H new ATOM 0 HB3 SER A 120 -3.575 -13.164 -3.186 1.00 0.00 H new ATOM 0 HG SER A 120 -3.909 -11.983 -0.582 1.00 0.00 H new ATOM 1470 N ARG A 121 -1.594 -15.756 -2.871 1.00 0.00 N ATOM 1471 CA ARG A 121 -0.549 -16.352 -3.695 1.00 0.00 C ATOM 1472 C ARG A 121 -0.771 -16.021 -5.168 1.00 0.00 C ATOM 1473 O ARG A 121 -0.681 -16.892 -6.031 1.00 0.00 O ATOM 1474 CB ARG A 121 -0.517 -17.876 -3.522 1.00 0.00 C ATOM 1475 CG ARG A 121 0.359 -18.376 -2.381 1.00 0.00 C ATOM 1476 CD ARG A 121 -0.178 -17.994 -1.017 1.00 0.00 C ATOM 1477 NE ARG A 121 0.614 -18.606 0.050 1.00 0.00 N ATOM 1478 CZ ARG A 121 0.220 -18.699 1.313 1.00 0.00 C ATOM 1479 NH1 ARG A 121 -0.934 -18.172 1.689 1.00 0.00 N ATOM 1480 NH2 ARG A 121 0.986 -19.298 2.208 1.00 0.00 N ATOM 0 H ARG A 121 -2.466 -16.285 -2.856 1.00 0.00 H new ATOM 0 HA ARG A 121 0.404 -15.935 -3.369 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -1.535 -18.230 -3.360 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -0.168 -18.325 -4.452 1.00 0.00 H new ATOM 0 HG2 ARG A 121 0.443 -19.461 -2.442 1.00 0.00 H new ATOM 0 HG3 ARG A 121 1.364 -17.971 -2.497 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -0.165 -16.910 -0.908 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -1.217 -18.310 -0.930 1.00 0.00 H new ATOM 0 HE ARG A 121 1.529 -18.986 -0.193 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -1.522 -17.693 1.007 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -1.235 -18.245 2.661 1.00 0.00 H new ATOM 0 HH21 ARG A 121 1.885 -19.691 1.929 1.00 0.00 H new ATOM 0 HH22 ARG A 121 0.679 -19.367 3.178 1.00 0.00 H new ATOM 1493 N ASN A 122 -1.050 -14.760 -5.456 1.00 0.00 N ATOM 1494 CA ASN A 122 -1.407 -14.347 -6.808 1.00 0.00 C ATOM 1495 C ASN A 122 -0.311 -13.508 -7.455 1.00 0.00 C ATOM 1496 O ASN A 122 0.379 -12.737 -6.788 1.00 0.00 O ATOM 1497 CB ASN A 122 -2.718 -13.551 -6.793 1.00 0.00 C ATOM 1498 CG ASN A 122 -2.628 -12.269 -5.978 1.00 0.00 C ATOM 1499 OD1 ASN A 122 -1.897 -12.185 -4.992 1.00 0.00 O ATOM 1500 ND2 ASN A 122 -3.375 -11.257 -6.386 1.00 0.00 N ATOM 0 H ASN A 122 -1.037 -14.003 -4.773 1.00 0.00 H new ATOM 0 HA ASN A 122 -1.533 -15.254 -7.399 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -2.998 -13.305 -7.817 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -3.512 -14.178 -6.387 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -3.356 -10.372 -5.879 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -3.970 -11.361 -7.208 1.00 0.00 H new ATOM 1507 N ASP A 123 -0.148 -13.678 -8.760 1.00 0.00 N ATOM 1508 CA ASP A 123 0.758 -12.835 -9.535 1.00 0.00 C ATOM 1509 C ASP A 123 -0.014 -12.104 -10.633 1.00 0.00 C ATOM 1510 O ASP A 123 0.566 -11.388 -11.450 1.00 0.00 O ATOM 1511 CB ASP A 123 1.894 -13.662 -10.150 1.00 0.00 C ATOM 1512 CG ASP A 123 1.444 -14.515 -11.323 1.00 0.00 C ATOM 1513 OD1 ASP A 123 1.007 -15.664 -11.102 1.00 0.00 O ATOM 1514 OD2 ASP A 123 1.539 -14.044 -12.477 1.00 0.00 O ATOM 0 H ASP A 123 -0.631 -14.392 -9.306 1.00 0.00 H new ATOM 0 HA ASP A 123 1.200 -12.103 -8.859 1.00 0.00 H new ATOM 0 HB2 ASP A 123 2.686 -12.990 -10.480 1.00 0.00 H new ATOM 0 HB3 ASP A 123 2.322 -14.307 -9.383 1.00 0.00 H new ATOM 1519 N MET A 124 -1.334 -12.276 -10.631 1.00 0.00 N ATOM 1520 CA MET A 124 -2.205 -11.641 -11.620 1.00 0.00 C ATOM 1521 C MET A 124 -2.468 -10.194 -11.229 1.00 0.00 C ATOM 1522 O MET A 124 -3.053 -9.419 -11.988 1.00 0.00 O ATOM 1523 CB MET A 124 -3.536 -12.394 -11.725 1.00 0.00 C ATOM 1524 CG MET A 124 -3.408 -13.837 -12.189 1.00 0.00 C ATOM 1525 SD MET A 124 -4.997 -14.692 -12.224 1.00 0.00 S ATOM 1526 CE MET A 124 -4.488 -16.329 -12.741 1.00 0.00 C ATOM 0 H MET A 124 -1.828 -12.854 -9.951 1.00 0.00 H new ATOM 0 HA MET A 124 -1.706 -11.670 -12.588 1.00 0.00 H new ATOM 0 HB2 MET A 124 -4.025 -12.381 -10.751 1.00 0.00 H new ATOM 0 HB3 MET A 124 -4.188 -11.860 -12.416 1.00 0.00 H new ATOM 0 HG2 MET A 124 -2.965 -13.858 -13.185 1.00 0.00 H new ATOM 0 HG3 MET A 124 -2.726 -14.370 -11.526 1.00 0.00 H new ATOM 0 HE1 MET A 124 -5.362 -16.977 -12.809 1.00 0.00 H new ATOM 0 HE2 MET A 124 -4.004 -16.269 -13.716 1.00 0.00 H new ATOM 0 HE3 MET A 124 -3.788 -16.739 -12.013 1.00 0.00 H new ATOM 1536 N CYS A 125 -2.027 -9.852 -10.034 1.00 0.00 N ATOM 1537 CA CYS A 125 -2.200 -8.521 -9.484 1.00 0.00 C ATOM 1538 C CYS A 125 -0.845 -7.828 -9.388 1.00 0.00 C ATOM 1539 O CYS A 125 0.176 -8.475 -9.155 1.00 0.00 O ATOM 1540 CB CYS A 125 -2.873 -8.627 -8.114 1.00 0.00 C ATOM 1541 SG CYS A 125 -2.735 -7.146 -7.071 1.00 0.00 S ATOM 0 H CYS A 125 -1.535 -10.494 -9.413 1.00 0.00 H new ATOM 0 HA CYS A 125 -2.838 -7.923 -10.135 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -3.929 -8.851 -8.262 1.00 0.00 H new ATOM 0 HB3 CYS A 125 -2.440 -9.472 -7.578 1.00 0.00 H new ATOM 1546 N HIS A 126 -0.837 -6.517 -9.581 1.00 0.00 N ATOM 1547 CA HIS A 126 0.406 -5.760 -9.649 1.00 0.00 C ATOM 1548 C HIS A 126 0.798 -5.256 -8.263 1.00 0.00 C ATOM 1549 O HIS A 126 -0.050 -5.093 -7.385 1.00 0.00 O ATOM 1550 CB HIS A 126 0.261 -4.581 -10.619 1.00 0.00 C ATOM 1551 CG HIS A 126 -0.280 -4.966 -11.963 1.00 0.00 C ATOM 1552 ND1 HIS A 126 0.395 -5.778 -12.855 1.00 0.00 N ATOM 1553 CD2 HIS A 126 -1.453 -4.654 -12.561 1.00 0.00 C ATOM 1554 CE1 HIS A 126 -0.340 -5.945 -13.938 1.00 0.00 C ATOM 1555 NE2 HIS A 126 -1.468 -5.275 -13.784 1.00 0.00 N ATOM 0 H HIS A 126 -1.680 -5.953 -9.694 1.00 0.00 H new ATOM 0 HA HIS A 126 1.192 -6.420 -10.016 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -0.397 -3.835 -10.173 1.00 0.00 H new ATOM 0 HB3 HIS A 126 1.235 -4.110 -10.751 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -2.234 -4.031 -12.151 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -0.066 -6.530 -14.803 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -2.227 -5.227 -14.464 1.00 0.00 H new ATOM 1563 N SER A 127 2.087 -5.013 -8.072 1.00 0.00 N ATOM 1564 CA SER A 127 2.600 -4.578 -6.783 1.00 0.00 C ATOM 1565 C SER A 127 2.229 -3.121 -6.518 1.00 0.00 C ATOM 1566 O SER A 127 2.565 -2.229 -7.305 1.00 0.00 O ATOM 1567 CB SER A 127 4.116 -4.768 -6.748 1.00 0.00 C ATOM 1568 OG SER A 127 4.455 -6.106 -7.088 1.00 0.00 O ATOM 0 H SER A 127 2.798 -5.111 -8.797 1.00 0.00 H new ATOM 0 HA SER A 127 2.149 -5.183 -5.997 1.00 0.00 H new ATOM 0 HB2 SER A 127 4.592 -4.077 -7.444 1.00 0.00 H new ATOM 0 HB3 SER A 127 4.496 -4.531 -5.754 1.00 0.00 H new ATOM 0 HG SER A 127 4.441 -6.209 -8.062 1.00 0.00 H new ATOM 1574 N LEU A 128 1.535 -2.888 -5.411 1.00 0.00 N ATOM 1575 CA LEU A 128 1.052 -1.559 -5.084 1.00 0.00 C ATOM 1576 C LEU A 128 2.153 -0.738 -4.428 1.00 0.00 C ATOM 1577 O LEU A 128 2.758 -1.154 -3.437 1.00 0.00 O ATOM 1578 CB LEU A 128 -0.180 -1.647 -4.173 1.00 0.00 C ATOM 1579 CG LEU A 128 -0.968 -0.344 -3.982 1.00 0.00 C ATOM 1580 CD1 LEU A 128 -2.404 -0.654 -3.594 1.00 0.00 C ATOM 1581 CD2 LEU A 128 -0.330 0.532 -2.915 1.00 0.00 C ATOM 0 H LEU A 128 1.296 -3.605 -4.726 1.00 0.00 H new ATOM 0 HA LEU A 128 0.759 -1.058 -6.007 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -0.855 -2.401 -4.579 1.00 0.00 H new ATOM 0 HB3 LEU A 128 0.141 -2.001 -3.194 1.00 0.00 H new ATOM 0 HG LEU A 128 -0.954 0.198 -4.928 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -2.954 0.278 -3.461 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -2.874 -1.244 -4.381 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -2.415 -1.218 -2.662 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -0.910 1.448 -2.802 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -0.311 -0.005 -1.967 1.00 0.00 H new ATOM 0 HD23 LEU A 128 0.689 0.782 -3.211 1.00 0.00 H new ATOM 1593 N GLY A 129 2.409 0.424 -4.995 1.00 0.00 N ATOM 1594 CA GLY A 129 3.385 1.323 -4.439 1.00 0.00 C ATOM 1595 C GLY A 129 2.801 2.686 -4.170 1.00 0.00 C ATOM 1596 O GLY A 129 1.782 3.065 -4.753 1.00 0.00 O ATOM 0 H GLY A 129 1.951 0.763 -5.841 1.00 0.00 H new ATOM 0 HA2 GLY A 129 3.777 0.906 -3.511 1.00 0.00 H new ATOM 0 HA3 GLY A 129 4.226 1.417 -5.126 1.00 0.00 H new ATOM 1600 N LEU A 130 3.449 3.420 -3.287 1.00 0.00 N ATOM 1601 CA LEU A 130 3.001 4.746 -2.920 1.00 0.00 C ATOM 1602 C LEU A 130 4.105 5.754 -3.203 1.00 0.00 C ATOM 1603 O LEU A 130 5.246 5.578 -2.772 1.00 0.00 O ATOM 1604 CB LEU A 130 2.612 4.773 -1.439 1.00 0.00 C ATOM 1605 CG LEU A 130 2.159 6.131 -0.896 1.00 0.00 C ATOM 1606 CD1 LEU A 130 0.957 6.653 -1.671 1.00 0.00 C ATOM 1607 CD2 LEU A 130 1.828 6.018 0.588 1.00 0.00 C ATOM 0 H LEU A 130 4.296 3.115 -2.807 1.00 0.00 H new ATOM 0 HA LEU A 130 2.125 5.011 -3.512 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.809 4.053 -1.280 1.00 0.00 H new ATOM 0 HB3 LEU A 130 3.466 4.434 -0.852 1.00 0.00 H new ATOM 0 HG LEU A 130 2.976 6.842 -1.022 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.654 7.619 -1.266 1.00 0.00 H new ATOM 0 HD12 LEU A 130 1.223 6.767 -2.722 1.00 0.00 H new ATOM 0 HD13 LEU A 130 0.131 5.947 -1.581 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.507 6.989 0.964 1.00 0.00 H new ATOM 0 HD22 LEU A 130 1.027 5.292 0.728 1.00 0.00 H new ATOM 0 HD23 LEU A 130 2.713 5.692 1.134 1.00 0.00 H new ATOM 1619 N THR A 131 3.776 6.784 -3.959 1.00 0.00 N ATOM 1620 CA THR A 131 4.729 7.828 -4.279 1.00 0.00 C ATOM 1621 C THR A 131 4.378 9.110 -3.535 1.00 0.00 C ATOM 1622 O THR A 131 3.458 9.826 -3.927 1.00 0.00 O ATOM 1623 CB THR A 131 4.740 8.114 -5.795 1.00 0.00 C ATOM 1624 OG1 THR A 131 4.906 6.890 -6.521 1.00 0.00 O ATOM 1625 CG2 THR A 131 5.855 9.082 -6.163 1.00 0.00 C ATOM 0 H THR A 131 2.850 6.920 -4.365 1.00 0.00 H new ATOM 0 HA THR A 131 5.717 7.484 -3.972 1.00 0.00 H new ATOM 0 HB THR A 131 3.787 8.571 -6.060 1.00 0.00 H new ATOM 0 HG1 THR A 131 5.859 6.670 -6.578 1.00 0.00 H new ATOM 0 HG21 THR A 131 5.838 9.265 -7.237 1.00 0.00 H new ATOM 0 HG22 THR A 131 5.710 10.023 -5.632 1.00 0.00 H new ATOM 0 HG23 THR A 131 6.817 8.652 -5.883 1.00 0.00 H new ATOM 1633 N CYS A 132 5.093 9.387 -2.457 1.00 0.00 N ATOM 1634 CA CYS A 132 4.886 10.619 -1.714 1.00 0.00 C ATOM 1635 C CYS A 132 5.986 11.612 -2.049 1.00 0.00 C ATOM 1636 O CYS A 132 7.162 11.258 -2.102 1.00 0.00 O ATOM 1637 CB CYS A 132 4.859 10.357 -0.204 1.00 0.00 C ATOM 1638 SG CYS A 132 3.643 9.107 0.316 1.00 0.00 S ATOM 0 H CYS A 132 5.819 8.779 -2.078 1.00 0.00 H new ATOM 0 HA CYS A 132 3.920 11.034 -2.002 1.00 0.00 H new ATOM 0 HB2 CYS A 132 5.851 10.037 0.115 1.00 0.00 H new ATOM 0 HB3 CYS A 132 4.644 11.293 0.312 1.00 0.00 H new ATOM 1643 N LEU A 133 5.588 12.847 -2.299 1.00 0.00 N ATOM 1644 CA LEU A 133 6.529 13.909 -2.606 1.00 0.00 C ATOM 1645 C LEU A 133 7.404 14.165 -1.381 1.00 0.00 C ATOM 1646 O LEU A 133 6.901 14.621 -0.357 1.00 0.00 O ATOM 1647 CB LEU A 133 5.751 15.173 -2.994 1.00 0.00 C ATOM 1648 CG LEU A 133 6.482 16.163 -3.907 1.00 0.00 C ATOM 1649 CD1 LEU A 133 5.490 17.151 -4.497 1.00 0.00 C ATOM 1650 CD2 LEU A 133 7.574 16.906 -3.149 1.00 0.00 C ATOM 0 H LEU A 133 4.611 13.140 -2.295 1.00 0.00 H new ATOM 0 HA LEU A 133 7.168 13.623 -3.441 1.00 0.00 H new ATOM 0 HB2 LEU A 133 4.828 14.869 -3.487 1.00 0.00 H new ATOM 0 HB3 LEU A 133 5.467 15.695 -2.080 1.00 0.00 H new ATOM 0 HG LEU A 133 6.954 15.601 -4.713 1.00 0.00 H new ATOM 0 HD11 LEU A 133 6.016 17.852 -5.145 1.00 0.00 H new ATOM 0 HD12 LEU A 133 4.741 16.612 -5.078 1.00 0.00 H new ATOM 0 HD13 LEU A 133 5.000 17.699 -3.692 1.00 0.00 H new ATOM 0 HD21 LEU A 133 8.076 17.601 -3.822 1.00 0.00 H new ATOM 0 HD22 LEU A 133 7.130 17.459 -2.321 1.00 0.00 H new ATOM 0 HD23 LEU A 133 8.299 16.190 -2.761 1.00 0.00 H new ATOM 1662 N GLU A 134 8.689 13.822 -1.478 1.00 0.00 N ATOM 1663 CA GLU A 134 9.630 14.001 -0.370 1.00 0.00 C ATOM 1664 C GLU A 134 9.532 15.408 0.218 1.00 0.00 C ATOM 1665 O GLU A 134 9.824 16.381 -0.504 1.00 0.00 O ATOM 1666 CB GLU A 134 11.073 13.731 -0.821 1.00 0.00 C ATOM 1667 CG GLU A 134 11.408 12.261 -1.061 1.00 0.00 C ATOM 1668 CD GLU A 134 10.759 11.679 -2.302 1.00 0.00 C ATOM 1669 OE1 GLU A 134 10.439 12.449 -3.233 1.00 0.00 O ATOM 1670 OE2 GLU A 134 10.611 10.440 -2.367 1.00 0.00 O ATOM 1671 OXT GLU A 134 9.161 15.532 1.405 1.00 0.00 O ATOM 0 H GLU A 134 9.104 13.417 -2.317 1.00 0.00 H new ATOM 0 HA GLU A 134 9.360 13.279 0.401 1.00 0.00 H new ATOM 0 HB2 GLU A 134 11.261 14.286 -1.740 1.00 0.00 H new ATOM 0 HB3 GLU A 134 11.754 14.125 -0.066 1.00 0.00 H new ATOM 0 HG2 GLU A 134 12.490 12.154 -1.144 1.00 0.00 H new ATOM 0 HG3 GLU A 134 11.096 11.681 -0.193 1.00 0.00 H new TER 1678 GLU A 134