USER MOD reduce.3.24.130724 H: found=0, std=0, add=1033, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1034 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 47 CYS SG : rot 111:sc= -6.6! USER MOD Set 1.2: A 99 HIS :FLIP no HD1:sc= -0.968 F(o=-9,f=-6.4) USER MOD Set 1.3: A 105 GLN : amide:sc= 1.13 K(o=-6.4,f=-8.5) USER MOD Set 2.1: A 53 SER OG : rot 31:sc= 1.7 USER MOD Set 2.2: A 62 LYS NZ :NH3+ 179:sc= 0.04 (180deg=-1.03) USER MOD Set 3.1: A 60 HIS :FLIP+bothHN:sc= -0.0137 F(o=-3,f=-0.86) USER MOD Set 3.2: A 95 GLN : amide:sc= -0.848 K(o=-0.86,f=-5.7!) USER MOD Set 4.1: A 40 ASN : amide:sc= -4.87! C(o=-4.3!,f=-6!) USER MOD Set 4.2: A 80 ASN : amide:sc= 0.567 K(o=-4.3,f=-5.4) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 160:sc= 1.3 (180deg=0.874) USER MOD Single : A 14 SER OG : rot 180:sc= -0.028 USER MOD Single : A 17 LYS NZ :NH3+ -179:sc= 0.0776 (180deg=0.0759) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= -2.3 K(o=-2.3,f=-5.7!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -173:sc= -0.0073 (180deg=-0.0891) USER MOD Single : A 34 THR OG1 : rot -30:sc= 0.0629 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -148:sc= 0.941 (180deg=0.351) USER MOD Single : A 54 LYS NZ :NH3+ 166:sc= -0.0551 (180deg=-0.33) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 58 GLN : amide:sc= -0.0247 K(o=-0.025,f=-1.2!) USER MOD Single : A 64 LYS NZ :NH3+ -173:sc= 1.14 (180deg=1.08) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.113 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN :FLIP amide:sc= -1.68! C(o=-4.2!,f=-1.7!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -178:sc= 0.996 (180deg=0.988) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 THR OG1 : rot 55:sc= 1.08 USER MOD Single : A 86 LYS NZ :NH3+ -177:sc= 0.0178 (180deg=0.0169) USER MOD Single : A 90 THR OG1 : rot -8:sc= 0.679 USER MOD Single : A 91 ASN : amide:sc= 1.1 K(o=1.1,f=-0.0048) USER MOD Single : A 92 SER OG : rot 82:sc= 0.342 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot -31:sc= 0.238 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN :FLIP amide:sc= -0.826 F(o=-2.4!,f=-0.83) USER MOD Single : A 112 MET CE :methyl -167:sc= -3.66 (180deg=-4.01!) USER MOD Single : A 114 GLN : amide:sc= -0.0312 X(o=-0.031,f=-0.27) USER MOD Single : A 116 SER OG : rot -91:sc= -0.565 USER MOD Single : A 117 TYR OH : rot 12:sc= 0.59 USER MOD Single : A 118 THR OG1 : rot -14:sc= 0.758 USER MOD Single : A 122 LYS NZ :NH3+ -152:sc= -0.806 (180deg=-3.38!) USER MOD Single : A 123 SER OG : rot -87:sc= 0.608 USER MOD Single : A 126 TYR OH : rot 6:sc= 0.841 USER MOD Single : A 130 MET CE :methyl -107:sc= -1.39 (180deg=-4.78!) USER MOD ----------------------------------------------------------------- ATOM 31 N VAL A 3 -19.199 -6.675 -5.487 1.00 0.00 N ATOM 32 CA VAL A 3 -19.264 -7.758 -4.511 1.00 0.00 C ATOM 33 C VAL A 3 -20.633 -7.778 -3.829 1.00 0.00 C ATOM 34 O VAL A 3 -21.333 -6.762 -3.787 1.00 0.00 O ATOM 35 CB VAL A 3 -18.159 -7.606 -3.432 1.00 0.00 C ATOM 36 CG1 VAL A 3 -18.390 -6.346 -2.596 1.00 0.00 C ATOM 37 CG2 VAL A 3 -18.079 -8.848 -2.542 1.00 0.00 C ATOM 0 HA VAL A 3 -19.107 -8.695 -5.046 1.00 0.00 H new ATOM 0 HB VAL A 3 -17.202 -7.504 -3.943 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -17.604 -6.258 -1.846 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -18.371 -5.470 -3.245 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -19.359 -6.410 -2.101 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -17.296 -8.711 -1.796 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -19.035 -8.999 -2.041 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -17.849 -9.720 -3.154 1.00 0.00 H new ATOM 47 N SER A 4 -21.018 -8.941 -3.313 1.00 0.00 N ATOM 48 CA SER A 4 -22.250 -9.078 -2.552 1.00 0.00 C ATOM 49 C SER A 4 -22.156 -8.285 -1.241 1.00 0.00 C ATOM 50 O SER A 4 -21.133 -8.351 -0.550 1.00 0.00 O ATOM 51 CB SER A 4 -22.505 -10.561 -2.254 1.00 0.00 C ATOM 52 OG SER A 4 -22.419 -11.341 -3.435 1.00 0.00 O ATOM 0 H SER A 4 -20.488 -9.807 -3.411 1.00 0.00 H new ATOM 0 HA SER A 4 -23.078 -8.681 -3.138 1.00 0.00 H new ATOM 0 HB2 SER A 4 -21.778 -10.919 -1.524 1.00 0.00 H new ATOM 0 HB3 SER A 4 -23.492 -10.681 -1.806 1.00 0.00 H new ATOM 0 HG SER A 4 -22.584 -12.282 -3.218 1.00 0.00 H new ATOM 58 N PRO A 5 -23.221 -7.532 -0.876 1.00 0.00 N ATOM 59 CA PRO A 5 -23.251 -6.728 0.358 1.00 0.00 C ATOM 60 C PRO A 5 -22.810 -7.531 1.585 1.00 0.00 C ATOM 61 O PRO A 5 -22.252 -6.980 2.538 1.00 0.00 O ATOM 62 CB PRO A 5 -24.724 -6.318 0.476 1.00 0.00 C ATOM 63 CG PRO A 5 -25.217 -6.296 -0.931 1.00 0.00 C ATOM 64 CD PRO A 5 -24.479 -7.402 -1.643 1.00 0.00 C ATOM 0 HA PRO A 5 -22.564 -5.883 0.315 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -25.286 -7.027 1.083 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -24.828 -5.341 0.949 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -26.294 -6.457 -0.970 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -25.021 -5.331 -1.399 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -25.049 -8.331 -1.639 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -24.288 -7.150 -2.686 1.00 0.00 H new ATOM 72 N GLU A 6 -23.064 -8.840 1.529 1.00 0.00 N ATOM 73 CA GLU A 6 -22.673 -9.773 2.584 1.00 0.00 C ATOM 74 C GLU A 6 -21.183 -9.634 2.906 1.00 0.00 C ATOM 75 O GLU A 6 -20.800 -9.302 4.031 1.00 0.00 O ATOM 76 CB GLU A 6 -22.974 -11.211 2.132 1.00 0.00 C ATOM 77 CG GLU A 6 -24.419 -11.428 1.688 1.00 0.00 C ATOM 78 CD GLU A 6 -24.643 -12.786 1.041 1.00 0.00 C ATOM 79 OE1 GLU A 6 -24.399 -12.913 -0.177 1.00 0.00 O ATOM 80 OE2 GLU A 6 -25.063 -13.732 1.744 1.00 0.00 O ATOM 0 H GLU A 6 -23.548 -9.283 0.748 1.00 0.00 H new ATOM 0 HA GLU A 6 -23.243 -9.542 3.484 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -22.308 -11.470 1.309 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -22.749 -11.894 2.951 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -25.077 -11.330 2.551 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -24.698 -10.645 0.983 1.00 0.00 H new ATOM 87 N GLU A 7 -20.342 -9.866 1.904 1.00 0.00 N ATOM 88 CA GLU A 7 -18.901 -9.814 2.106 1.00 0.00 C ATOM 89 C GLU A 7 -18.404 -8.369 2.104 1.00 0.00 C ATOM 90 O GLU A 7 -17.354 -8.069 2.674 1.00 0.00 O ATOM 91 CB GLU A 7 -18.165 -10.653 1.054 1.00 0.00 C ATOM 92 CG GLU A 7 -16.646 -10.594 1.196 1.00 0.00 C ATOM 93 CD GLU A 7 -15.925 -11.747 0.525 1.00 0.00 C ATOM 94 OE1 GLU A 7 -16.234 -12.056 -0.644 1.00 0.00 O ATOM 95 OE2 GLU A 7 -15.026 -12.333 1.162 1.00 0.00 O ATOM 0 H GLU A 7 -20.631 -10.090 0.952 1.00 0.00 H new ATOM 0 HA GLU A 7 -18.683 -10.244 3.084 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -18.491 -11.690 1.132 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -18.445 -10.305 0.060 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -16.287 -9.656 0.772 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -16.389 -10.584 2.255 1.00 0.00 H new ATOM 102 N ALA A 8 -19.172 -7.473 1.486 1.00 0.00 N ATOM 103 CA ALA A 8 -18.833 -6.053 1.479 1.00 0.00 C ATOM 104 C ALA A 8 -18.700 -5.532 2.911 1.00 0.00 C ATOM 105 O ALA A 8 -17.731 -4.849 3.248 1.00 0.00 O ATOM 106 CB ALA A 8 -19.882 -5.257 0.709 1.00 0.00 C ATOM 0 H ALA A 8 -20.030 -7.705 0.986 1.00 0.00 H new ATOM 0 HA ALA A 8 -17.874 -5.926 0.977 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -19.613 -4.201 0.714 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -19.928 -5.615 -0.320 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -20.856 -5.386 1.182 1.00 0.00 H new ATOM 112 N VAL A 9 -19.670 -5.880 3.758 1.00 0.00 N ATOM 113 CA VAL A 9 -19.623 -5.496 5.168 1.00 0.00 C ATOM 114 C VAL A 9 -18.625 -6.373 5.926 1.00 0.00 C ATOM 115 O VAL A 9 -18.024 -5.937 6.908 1.00 0.00 O ATOM 116 CB VAL A 9 -21.018 -5.571 5.849 1.00 0.00 C ATOM 117 CG1 VAL A 9 -22.006 -4.628 5.164 1.00 0.00 C ATOM 118 CG2 VAL A 9 -21.554 -7.002 5.861 1.00 0.00 C ATOM 0 H VAL A 9 -20.492 -6.423 3.494 1.00 0.00 H new ATOM 0 HA VAL A 9 -19.297 -4.457 5.204 1.00 0.00 H new ATOM 0 HB VAL A 9 -20.900 -5.252 6.885 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -22.976 -4.697 5.657 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -21.637 -3.604 5.230 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -22.111 -4.909 4.116 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -22.531 -7.021 6.344 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -21.648 -7.364 4.837 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -20.865 -7.644 6.410 1.00 0.00 H new ATOM 128 N LYS A 10 -18.444 -7.608 5.454 1.00 0.00 N ATOM 129 CA LYS A 10 -17.463 -8.522 6.044 1.00 0.00 C ATOM 130 C LYS A 10 -16.037 -7.992 5.847 1.00 0.00 C ATOM 131 O LYS A 10 -15.146 -8.285 6.640 1.00 0.00 O ATOM 132 CB LYS A 10 -17.611 -9.932 5.445 1.00 0.00 C ATOM 133 CG LYS A 10 -16.611 -10.965 5.973 1.00 0.00 C ATOM 134 CD LYS A 10 -16.612 -11.058 7.500 1.00 0.00 C ATOM 135 CE LYS A 10 -17.979 -11.435 8.059 1.00 0.00 C ATOM 136 NZ LYS A 10 -17.991 -11.430 9.546 1.00 0.00 N ATOM 0 H LYS A 10 -18.962 -7.998 4.667 1.00 0.00 H new ATOM 0 HA LYS A 10 -17.654 -8.584 7.115 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -18.621 -10.291 5.643 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -17.504 -9.864 4.362 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -16.848 -11.942 5.553 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -15.610 -10.705 5.629 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -15.877 -11.798 7.817 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -16.302 -10.101 7.920 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -18.728 -10.736 7.688 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -18.259 -12.424 7.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -18.971 -11.353 9.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -17.571 -12.313 9.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -17.439 -10.620 9.895 1.00 0.00 H new ATOM 150 N TRP A 11 -15.827 -7.213 4.788 1.00 0.00 N ATOM 151 CA TRP A 11 -14.530 -6.572 4.555 1.00 0.00 C ATOM 152 C TRP A 11 -14.237 -5.543 5.641 1.00 0.00 C ATOM 153 O TRP A 11 -13.081 -5.290 5.969 1.00 0.00 O ATOM 154 CB TRP A 11 -14.487 -5.883 3.182 1.00 0.00 C ATOM 155 CG TRP A 11 -14.413 -6.824 2.017 1.00 0.00 C ATOM 156 CD1 TRP A 11 -14.061 -8.143 2.037 1.00 0.00 C ATOM 157 CD2 TRP A 11 -14.671 -6.497 0.649 1.00 0.00 C ATOM 158 NE1 TRP A 11 -14.092 -8.657 0.765 1.00 0.00 N ATOM 159 CE2 TRP A 11 -14.466 -7.664 -0.106 1.00 0.00 C ATOM 160 CE3 TRP A 11 -15.062 -5.327 -0.007 1.00 0.00 C ATOM 161 CZ2 TRP A 11 -14.635 -7.692 -1.486 1.00 0.00 C ATOM 162 CZ3 TRP A 11 -15.229 -5.357 -1.376 1.00 0.00 C ATOM 163 CH2 TRP A 11 -15.017 -6.533 -2.104 1.00 0.00 C ATOM 0 H TRP A 11 -16.532 -7.010 4.080 1.00 0.00 H new ATOM 0 HA TRP A 11 -13.772 -7.354 4.580 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -15.375 -5.260 3.074 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -13.625 -5.217 3.150 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -13.797 -8.700 2.924 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -13.873 -9.620 0.509 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -15.230 -4.416 0.548 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -14.470 -8.598 -2.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -15.528 -4.458 -1.894 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -15.158 -6.525 -3.175 1.00 0.00 H new ATOM 174 N GLY A 12 -15.302 -4.989 6.214 1.00 0.00 N ATOM 175 CA GLY A 12 -15.181 -3.888 7.157 1.00 0.00 C ATOM 176 C GLY A 12 -14.393 -4.226 8.412 1.00 0.00 C ATOM 177 O GLY A 12 -14.025 -3.327 9.169 1.00 0.00 O ATOM 0 H GLY A 12 -16.261 -5.288 6.039 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -14.702 -3.047 6.656 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -16.180 -3.560 7.446 1.00 0.00 H new ATOM 181 N GLU A 13 -14.129 -5.509 8.641 1.00 0.00 N ATOM 182 CA GLU A 13 -13.403 -5.939 9.837 1.00 0.00 C ATOM 183 C GLU A 13 -11.954 -6.318 9.520 1.00 0.00 C ATOM 184 O GLU A 13 -11.124 -6.420 10.429 1.00 0.00 O ATOM 185 CB GLU A 13 -14.121 -7.125 10.494 1.00 0.00 C ATOM 186 CG GLU A 13 -14.281 -8.332 9.578 1.00 0.00 C ATOM 187 CD GLU A 13 -15.022 -9.481 10.238 1.00 0.00 C ATOM 188 OE1 GLU A 13 -16.265 -9.411 10.348 1.00 0.00 O ATOM 189 OE2 GLU A 13 -14.367 -10.467 10.645 1.00 0.00 O ATOM 0 H GLU A 13 -14.405 -6.268 8.018 1.00 0.00 H new ATOM 0 HA GLU A 13 -13.383 -5.096 10.528 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.566 -7.426 11.383 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -15.107 -6.801 10.828 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -14.817 -8.030 8.678 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -13.296 -8.675 9.262 1.00 0.00 H new ATOM 196 N SER A 14 -11.635 -6.508 8.240 1.00 0.00 N ATOM 197 CA SER A 14 -10.317 -7.011 7.857 1.00 0.00 C ATOM 198 C SER A 14 -9.832 -6.398 6.537 1.00 0.00 C ATOM 199 O SER A 14 -10.159 -6.888 5.449 1.00 0.00 O ATOM 200 CB SER A 14 -10.347 -8.543 7.753 1.00 0.00 C ATOM 201 OG SER A 14 -10.846 -9.133 8.944 1.00 0.00 O ATOM 0 H SER A 14 -12.264 -6.323 7.458 1.00 0.00 H new ATOM 0 HA SER A 14 -9.612 -6.715 8.634 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.970 -8.840 6.909 1.00 0.00 H new ATOM 0 HB3 SER A 14 -9.342 -8.916 7.554 1.00 0.00 H new ATOM 0 HG SER A 14 -10.855 -10.108 8.847 1.00 0.00 H new ATOM 207 N PHE A 15 -9.043 -5.329 6.646 1.00 0.00 N ATOM 208 CA PHE A 15 -8.413 -4.692 5.484 1.00 0.00 C ATOM 209 C PHE A 15 -7.608 -5.728 4.695 1.00 0.00 C ATOM 210 O PHE A 15 -7.509 -5.665 3.466 1.00 0.00 O ATOM 211 CB PHE A 15 -7.512 -3.541 5.965 1.00 0.00 C ATOM 212 CG PHE A 15 -6.876 -2.714 4.868 1.00 0.00 C ATOM 213 CD1 PHE A 15 -7.613 -2.295 3.771 1.00 0.00 C ATOM 214 CD2 PHE A 15 -5.544 -2.335 4.953 1.00 0.00 C ATOM 215 CE1 PHE A 15 -7.035 -1.518 2.785 1.00 0.00 C ATOM 216 CE2 PHE A 15 -4.962 -1.562 3.967 1.00 0.00 C ATOM 217 CZ PHE A 15 -5.710 -1.153 2.884 1.00 0.00 C ATOM 0 H PHE A 15 -8.822 -4.881 7.535 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.178 -4.285 4.823 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -8.103 -2.880 6.599 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -6.721 -3.957 6.588 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -8.651 -2.579 3.686 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -4.954 -2.649 5.802 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -7.622 -1.197 1.937 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -3.923 -1.279 4.045 1.00 0.00 H new ATOM 0 HZ PHE A 15 -5.258 -0.547 2.113 1.00 0.00 H new ATOM 227 N ASP A 16 -7.061 -6.699 5.422 1.00 0.00 N ATOM 228 CA ASP A 16 -6.315 -7.807 4.823 1.00 0.00 C ATOM 229 C ASP A 16 -7.167 -8.569 3.805 1.00 0.00 C ATOM 230 O ASP A 16 -6.739 -8.787 2.670 1.00 0.00 O ATOM 231 CB ASP A 16 -5.822 -8.769 5.913 1.00 0.00 C ATOM 232 CG ASP A 16 -5.234 -10.057 5.346 1.00 0.00 C ATOM 233 OD1 ASP A 16 -4.111 -10.025 4.799 1.00 0.00 O ATOM 234 OD2 ASP A 16 -5.893 -11.118 5.452 1.00 0.00 O ATOM 0 H ASP A 16 -7.121 -6.742 6.439 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.457 -7.384 4.300 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.068 -8.267 6.519 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -6.652 -9.015 6.576 1.00 0.00 H new ATOM 239 N LYS A 17 -8.383 -8.960 4.204 1.00 0.00 N ATOM 240 CA LYS A 17 -9.234 -9.772 3.331 1.00 0.00 C ATOM 241 C LYS A 17 -9.721 -8.938 2.152 1.00 0.00 C ATOM 242 O LYS A 17 -10.081 -9.482 1.105 1.00 0.00 O ATOM 243 CB LYS A 17 -10.427 -10.382 4.094 1.00 0.00 C ATOM 244 CG LYS A 17 -11.579 -9.414 4.364 1.00 0.00 C ATOM 245 CD LYS A 17 -12.646 -10.026 5.272 1.00 0.00 C ATOM 246 CE LYS A 17 -13.186 -11.348 4.733 1.00 0.00 C ATOM 247 NZ LYS A 17 -13.877 -11.196 3.421 1.00 0.00 N ATOM 0 H LYS A 17 -8.793 -8.732 5.110 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.632 -10.601 2.958 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -10.809 -11.229 3.525 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -10.069 -10.773 5.046 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.189 -8.507 4.825 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -12.034 -9.120 3.418 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.225 -10.187 6.264 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -13.469 -9.321 5.386 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.363 -12.055 4.626 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -13.880 -11.774 5.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -14.238 -12.120 3.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -14.670 -10.530 3.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.206 -10.831 2.715 1.00 0.00 H new ATOM 261 N LEU A 18 -9.729 -7.616 2.331 1.00 0.00 N ATOM 262 CA LEU A 18 -10.067 -6.695 1.250 1.00 0.00 C ATOM 263 C LEU A 18 -9.093 -6.879 0.085 1.00 0.00 C ATOM 264 O LEU A 18 -9.508 -7.134 -1.045 1.00 0.00 O ATOM 265 CB LEU A 18 -10.036 -5.241 1.752 1.00 0.00 C ATOM 266 CG LEU A 18 -10.336 -4.167 0.690 1.00 0.00 C ATOM 267 CD1 LEU A 18 -11.730 -4.362 0.100 1.00 0.00 C ATOM 268 CD2 LEU A 18 -10.191 -2.767 1.282 1.00 0.00 C ATOM 0 H LEU A 18 -9.505 -7.161 3.216 1.00 0.00 H new ATOM 0 HA LEU A 18 -11.077 -6.915 0.903 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.759 -5.139 2.561 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.052 -5.042 2.177 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.609 -4.274 -0.115 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.920 -3.592 -0.648 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.793 -5.345 -0.367 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.474 -4.289 0.893 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.407 -2.023 0.515 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.890 -2.648 2.110 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -9.172 -2.629 1.644 1.00 0.00 H new ATOM 280 N LEU A 19 -7.794 -6.771 0.378 1.00 0.00 N ATOM 281 CA LEU A 19 -6.754 -6.972 -0.638 1.00 0.00 C ATOM 282 C LEU A 19 -6.702 -8.436 -1.074 1.00 0.00 C ATOM 283 O LEU A 19 -6.440 -8.739 -2.238 1.00 0.00 O ATOM 284 CB LEU A 19 -5.370 -6.530 -0.119 1.00 0.00 C ATOM 285 CG LEU A 19 -5.136 -5.007 -0.027 1.00 0.00 C ATOM 286 CD1 LEU A 19 -5.349 -4.339 -1.385 1.00 0.00 C ATOM 287 CD2 LEU A 19 -6.025 -4.374 1.040 1.00 0.00 C ATOM 0 H LEU A 19 -7.437 -6.546 1.307 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.011 -6.354 -1.498 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.221 -6.961 0.871 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.607 -6.956 -0.770 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.099 -4.847 0.269 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.178 -3.266 -1.294 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.650 -4.757 -2.110 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.370 -4.516 -1.722 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.837 -3.301 1.081 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.072 -4.550 0.793 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.802 -4.818 2.010 1.00 0.00 H new ATOM 299 N SER A 20 -6.959 -9.337 -0.131 1.00 0.00 N ATOM 300 CA SER A 20 -6.958 -10.772 -0.407 1.00 0.00 C ATOM 301 C SER A 20 -8.076 -11.130 -1.391 1.00 0.00 C ATOM 302 O SER A 20 -7.994 -12.133 -2.107 1.00 0.00 O ATOM 303 CB SER A 20 -7.116 -11.558 0.903 1.00 0.00 C ATOM 304 OG SER A 20 -6.978 -12.953 0.694 1.00 0.00 O ATOM 0 H SER A 20 -7.172 -9.098 0.837 1.00 0.00 H new ATOM 0 HA SER A 20 -6.006 -11.042 -0.863 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.369 -11.222 1.622 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.094 -11.350 1.338 1.00 0.00 H new ATOM 0 HG SER A 20 -7.082 -13.424 1.547 1.00 0.00 H new ATOM 310 N HIS A 21 -9.118 -10.302 -1.422 1.00 0.00 N ATOM 311 CA HIS A 21 -10.231 -10.491 -2.348 1.00 0.00 C ATOM 312 C HIS A 21 -9.916 -9.765 -3.647 1.00 0.00 C ATOM 313 O HIS A 21 -9.838 -8.544 -3.652 1.00 0.00 O ATOM 314 CB HIS A 21 -11.531 -9.933 -1.742 1.00 0.00 C ATOM 315 CG HIS A 21 -12.783 -10.539 -2.303 1.00 0.00 C ATOM 316 ND1 HIS A 21 -13.492 -9.999 -3.356 1.00 0.00 N ATOM 317 CD2 HIS A 21 -13.467 -11.643 -1.924 1.00 0.00 C ATOM 318 CE1 HIS A 21 -14.554 -10.747 -3.595 1.00 0.00 C ATOM 319 NE2 HIS A 21 -14.562 -11.750 -2.741 1.00 0.00 N ATOM 0 H HIS A 21 -9.214 -9.490 -0.813 1.00 0.00 H new ATOM 0 HA HIS A 21 -10.368 -11.555 -2.539 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -11.514 -10.095 -0.664 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -11.560 -8.855 -1.902 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -13.199 -12.317 -1.124 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -15.292 -10.567 -4.362 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -15.267 -12.485 -2.695 1.00 0.00 H new ATOM 328 N ARG A 22 -9.732 -10.507 -4.735 1.00 0.00 N ATOM 329 CA ARG A 22 -9.348 -9.914 -6.024 1.00 0.00 C ATOM 330 C ARG A 22 -10.211 -8.693 -6.363 1.00 0.00 C ATOM 331 O ARG A 22 -9.696 -7.650 -6.769 1.00 0.00 O ATOM 332 CB ARG A 22 -9.445 -10.960 -7.147 1.00 0.00 C ATOM 333 CG ARG A 22 -10.821 -11.613 -7.267 1.00 0.00 C ATOM 334 CD ARG A 22 -10.898 -12.583 -8.438 1.00 0.00 C ATOM 335 NE ARG A 22 -10.689 -11.910 -9.721 1.00 0.00 N ATOM 336 CZ ARG A 22 -11.260 -12.280 -10.866 1.00 0.00 C ATOM 337 NH1 ARG A 22 -12.081 -13.327 -10.896 1.00 0.00 N ATOM 338 NH2 ARG A 22 -11.003 -11.606 -11.979 1.00 0.00 N ATOM 0 H ARG A 22 -9.841 -11.521 -4.756 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.314 -9.579 -5.937 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.195 -10.485 -8.096 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -8.699 -11.736 -6.973 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -11.051 -12.143 -6.343 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -11.579 -10.839 -7.388 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -10.148 -13.364 -8.312 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -11.872 -13.073 -8.440 1.00 0.00 H new ATOM 0 HE ARG A 22 -10.064 -11.104 -9.739 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -12.274 -13.848 -10.041 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -12.517 -13.608 -11.774 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -10.370 -10.807 -11.957 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -11.439 -11.887 -12.857 1.00 0.00 H new ATOM 352 N ASP A 23 -11.523 -8.827 -6.171 1.00 0.00 N ATOM 353 CA ASP A 23 -12.462 -7.737 -6.450 1.00 0.00 C ATOM 354 C ASP A 23 -12.264 -6.579 -5.475 1.00 0.00 C ATOM 355 O ASP A 23 -12.405 -5.413 -5.842 1.00 0.00 O ATOM 356 CB ASP A 23 -13.906 -8.243 -6.373 1.00 0.00 C ATOM 357 CG ASP A 23 -14.922 -7.164 -6.713 1.00 0.00 C ATOM 358 OD1 ASP A 23 -15.037 -6.813 -7.909 1.00 0.00 O ATOM 359 OD2 ASP A 23 -15.600 -6.667 -5.793 1.00 0.00 O ATOM 0 H ASP A 23 -11.962 -9.680 -5.823 1.00 0.00 H new ATOM 0 HA ASP A 23 -12.265 -7.375 -7.459 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -14.030 -9.082 -7.057 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.103 -8.619 -5.369 1.00 0.00 H new ATOM 364 N GLY A 24 -11.911 -6.910 -4.235 1.00 0.00 N ATOM 365 CA GLY A 24 -11.712 -5.892 -3.218 1.00 0.00 C ATOM 366 C GLY A 24 -10.440 -5.112 -3.460 1.00 0.00 C ATOM 367 O GLY A 24 -10.404 -3.891 -3.310 1.00 0.00 O ATOM 0 H GLY A 24 -11.759 -7.867 -3.917 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.563 -5.211 -3.212 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.672 -6.361 -2.235 1.00 0.00 H new ATOM 371 N LEU A 25 -9.394 -5.836 -3.836 1.00 0.00 N ATOM 372 CA LEU A 25 -8.125 -5.244 -4.224 1.00 0.00 C ATOM 373 C LEU A 25 -8.335 -4.326 -5.423 1.00 0.00 C ATOM 374 O LEU A 25 -7.784 -3.222 -5.479 1.00 0.00 O ATOM 375 CB LEU A 25 -7.113 -6.366 -4.533 1.00 0.00 C ATOM 376 CG LEU A 25 -5.741 -5.929 -5.095 1.00 0.00 C ATOM 377 CD1 LEU A 25 -4.644 -6.898 -4.651 1.00 0.00 C ATOM 378 CD2 LEU A 25 -5.782 -5.851 -6.623 1.00 0.00 C ATOM 0 H LEU A 25 -9.404 -6.855 -3.880 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.723 -4.641 -3.410 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.941 -6.931 -3.617 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.571 -7.050 -5.248 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.515 -4.938 -4.701 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.686 -6.573 -5.057 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.591 -6.913 -3.562 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.873 -7.899 -5.017 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.806 -5.542 -6.998 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.034 -6.830 -7.031 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.535 -5.126 -6.930 1.00 0.00 H new ATOM 390 N GLU A 26 -9.151 -4.784 -6.372 1.00 0.00 N ATOM 391 CA GLU A 26 -9.499 -3.984 -7.539 1.00 0.00 C ATOM 392 C GLU A 26 -10.193 -2.700 -7.096 1.00 0.00 C ATOM 393 O GLU A 26 -9.750 -1.597 -7.417 1.00 0.00 O ATOM 394 CB GLU A 26 -10.419 -4.770 -8.489 1.00 0.00 C ATOM 395 CG GLU A 26 -10.710 -4.037 -9.798 1.00 0.00 C ATOM 396 CD GLU A 26 -11.817 -4.687 -10.616 1.00 0.00 C ATOM 397 OE1 GLU A 26 -11.623 -5.827 -11.092 1.00 0.00 O ATOM 398 OE2 GLU A 26 -12.879 -4.049 -10.805 1.00 0.00 O ATOM 0 H GLU A 26 -9.583 -5.708 -6.352 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.581 -3.738 -8.073 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.959 -5.732 -8.715 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.361 -4.978 -7.981 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.988 -3.007 -9.576 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.799 -3.999 -10.396 1.00 0.00 H new ATOM 405 N ALA A 27 -11.268 -2.855 -6.332 1.00 0.00 N ATOM 406 CA ALA A 27 -12.056 -1.722 -5.862 1.00 0.00 C ATOM 407 C ALA A 27 -11.194 -0.731 -5.082 1.00 0.00 C ATOM 408 O ALA A 27 -11.288 0.482 -5.286 1.00 0.00 O ATOM 409 CB ALA A 27 -13.218 -2.211 -5.003 1.00 0.00 C ATOM 0 H ALA A 27 -11.616 -3.763 -6.023 1.00 0.00 H new ATOM 0 HA ALA A 27 -12.454 -1.201 -6.733 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -13.800 -1.356 -4.657 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -13.855 -2.869 -5.594 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -12.830 -2.757 -4.143 1.00 0.00 H new ATOM 415 N PHE A 28 -10.338 -1.255 -4.206 1.00 0.00 N ATOM 416 CA PHE A 28 -9.508 -0.415 -3.349 1.00 0.00 C ATOM 417 C PHE A 28 -8.458 0.334 -4.166 1.00 0.00 C ATOM 418 O PHE A 28 -8.233 1.520 -3.945 1.00 0.00 O ATOM 419 CB PHE A 28 -8.828 -1.238 -2.244 1.00 0.00 C ATOM 420 CG PHE A 28 -8.021 -0.392 -1.284 1.00 0.00 C ATOM 421 CD1 PHE A 28 -8.660 0.428 -0.361 1.00 0.00 C ATOM 422 CD2 PHE A 28 -6.632 -0.407 -1.308 1.00 0.00 C ATOM 423 CE1 PHE A 28 -7.932 1.215 0.512 1.00 0.00 C ATOM 424 CE2 PHE A 28 -5.901 0.378 -0.435 1.00 0.00 C ATOM 425 CZ PHE A 28 -6.551 1.189 0.476 1.00 0.00 C ATOM 0 H PHE A 28 -10.202 -2.257 -4.072 1.00 0.00 H new ATOM 0 HA PHE A 28 -10.167 0.313 -2.876 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -9.589 -1.784 -1.686 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -8.174 -1.980 -2.702 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -9.739 0.451 -0.325 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.117 -1.039 -2.017 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -8.442 1.850 1.221 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -4.822 0.357 -0.465 1.00 0.00 H new ATOM 0 HZ PHE A 28 -5.980 1.801 1.159 1.00 0.00 H new ATOM 435 N THR A 29 -7.816 -0.353 -5.111 1.00 0.00 N ATOM 436 CA THR A 29 -6.789 0.286 -5.928 1.00 0.00 C ATOM 437 C THR A 29 -7.421 1.351 -6.829 1.00 0.00 C ATOM 438 O THR A 29 -6.833 2.406 -7.054 1.00 0.00 O ATOM 439 CB THR A 29 -5.971 -0.734 -6.773 1.00 0.00 C ATOM 440 OG1 THR A 29 -4.823 -0.090 -7.347 1.00 0.00 O ATOM 441 CG2 THR A 29 -6.806 -1.356 -7.889 1.00 0.00 C ATOM 0 H THR A 29 -7.986 -1.335 -5.326 1.00 0.00 H new ATOM 0 HA THR A 29 -6.084 0.761 -5.246 1.00 0.00 H new ATOM 0 HB THR A 29 -5.658 -1.532 -6.099 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.314 -0.739 -7.875 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.194 -2.061 -8.452 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.658 -1.880 -7.457 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.163 -0.572 -8.557 1.00 0.00 H new ATOM 449 N ARG A 30 -8.637 1.083 -7.308 1.00 0.00 N ATOM 450 CA ARG A 30 -9.382 2.054 -8.114 1.00 0.00 C ATOM 451 C ARG A 30 -9.713 3.281 -7.268 1.00 0.00 C ATOM 452 O ARG A 30 -9.528 4.423 -7.701 1.00 0.00 O ATOM 453 CB ARG A 30 -10.673 1.421 -8.662 1.00 0.00 C ATOM 454 CG ARG A 30 -10.427 0.257 -9.621 1.00 0.00 C ATOM 455 CD ARG A 30 -11.713 -0.495 -9.962 1.00 0.00 C ATOM 456 NE ARG A 30 -12.662 0.328 -10.714 1.00 0.00 N ATOM 457 CZ ARG A 30 -13.631 -0.165 -11.493 1.00 0.00 C ATOM 458 NH1 ARG A 30 -13.813 -1.479 -11.596 1.00 0.00 N ATOM 459 NH2 ARG A 30 -14.426 0.662 -12.160 1.00 0.00 N ATOM 0 H ARG A 30 -9.127 0.202 -7.152 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.764 2.359 -8.958 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -11.278 1.070 -7.826 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -11.253 2.187 -9.176 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -9.975 0.634 -10.538 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -9.712 -0.434 -9.174 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -11.467 -1.383 -10.544 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -12.185 -0.838 -9.041 1.00 0.00 H new ATOM 0 HE ARG A 30 -12.579 1.342 -10.639 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -13.211 -2.119 -11.078 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -14.555 -1.846 -12.193 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -14.297 1.670 -12.078 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -15.166 0.289 -12.755 1.00 0.00 H new ATOM 473 N PHE A 31 -10.184 3.029 -6.049 1.00 0.00 N ATOM 474 CA PHE A 31 -10.494 4.091 -5.096 1.00 0.00 C ATOM 475 C PHE A 31 -9.234 4.880 -4.743 1.00 0.00 C ATOM 476 O PHE A 31 -9.256 6.108 -4.671 1.00 0.00 O ATOM 477 CB PHE A 31 -11.119 3.490 -3.826 1.00 0.00 C ATOM 478 CG PHE A 31 -11.314 4.483 -2.704 1.00 0.00 C ATOM 479 CD1 PHE A 31 -12.350 5.406 -2.745 1.00 0.00 C ATOM 480 CD2 PHE A 31 -10.453 4.498 -1.611 1.00 0.00 C ATOM 481 CE1 PHE A 31 -12.525 6.318 -1.722 1.00 0.00 C ATOM 482 CE2 PHE A 31 -10.626 5.411 -0.587 1.00 0.00 C ATOM 483 CZ PHE A 31 -11.662 6.321 -0.643 1.00 0.00 C ATOM 0 H PHE A 31 -10.361 2.089 -5.696 1.00 0.00 H new ATOM 0 HA PHE A 31 -11.209 4.774 -5.555 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -12.084 3.053 -4.081 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -10.485 2.678 -3.471 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -13.027 5.411 -3.586 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -9.640 3.788 -1.562 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -13.337 7.029 -1.766 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -9.951 5.412 0.256 1.00 0.00 H new ATOM 0 HZ PHE A 31 -11.798 7.035 0.156 1.00 0.00 H new ATOM 493 N LEU A 32 -8.136 4.166 -4.544 1.00 0.00 N ATOM 494 CA LEU A 32 -6.883 4.781 -4.127 1.00 0.00 C ATOM 495 C LEU A 32 -6.225 5.508 -5.303 1.00 0.00 C ATOM 496 O LEU A 32 -5.418 6.421 -5.110 1.00 0.00 O ATOM 497 CB LEU A 32 -5.947 3.717 -3.530 1.00 0.00 C ATOM 498 CG LEU A 32 -4.767 4.261 -2.708 1.00 0.00 C ATOM 499 CD1 LEU A 32 -5.259 5.179 -1.591 1.00 0.00 C ATOM 500 CD2 LEU A 32 -3.940 3.115 -2.130 1.00 0.00 C ATOM 0 H LEU A 32 -8.087 3.154 -4.665 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.090 5.522 -3.355 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.536 3.055 -2.895 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.551 3.109 -4.343 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.132 4.844 -3.375 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.406 5.551 -1.024 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.802 6.020 -2.023 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.921 4.622 -0.928 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.110 3.521 -1.552 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.568 2.503 -1.483 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.551 2.502 -2.942 1.00 0.00 H new ATOM 512 N LYS A 33 -6.591 5.108 -6.525 1.00 0.00 N ATOM 513 CA LYS A 33 -6.134 5.797 -7.731 1.00 0.00 C ATOM 514 C LYS A 33 -6.825 7.156 -7.851 1.00 0.00 C ATOM 515 O LYS A 33 -6.174 8.171 -8.092 1.00 0.00 O ATOM 516 CB LYS A 33 -6.393 4.949 -8.997 1.00 0.00 C ATOM 517 CG LYS A 33 -5.128 4.351 -9.620 1.00 0.00 C ATOM 518 CD LYS A 33 -4.476 3.304 -8.720 1.00 0.00 C ATOM 519 CE LYS A 33 -3.148 2.811 -9.290 1.00 0.00 C ATOM 520 NZ LYS A 33 -3.291 2.232 -10.653 1.00 0.00 N ATOM 0 H LYS A 33 -7.202 4.311 -6.703 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.058 5.949 -7.647 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.078 4.140 -8.745 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -6.893 5.570 -9.741 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.378 3.897 -10.579 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.413 5.149 -9.822 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.311 3.729 -7.730 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.154 2.459 -8.596 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.441 3.640 -9.324 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.727 2.060 -8.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.388 1.806 -10.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.031 1.502 -10.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.553 2.983 -11.323 1.00 0.00 H new ATOM 534 N THR A 34 -8.146 7.173 -7.668 1.00 0.00 N ATOM 535 CA THR A 34 -8.900 8.424 -7.707 1.00 0.00 C ATOM 536 C THR A 34 -8.635 9.238 -6.436 1.00 0.00 C ATOM 537 O THR A 34 -8.897 10.441 -6.390 1.00 0.00 O ATOM 538 CB THR A 34 -10.423 8.184 -7.891 1.00 0.00 C ATOM 539 OG1 THR A 34 -11.104 9.434 -8.087 1.00 0.00 O ATOM 540 CG2 THR A 34 -11.034 7.462 -6.695 1.00 0.00 C ATOM 0 H THR A 34 -8.711 6.342 -7.493 1.00 0.00 H new ATOM 0 HA THR A 34 -8.557 8.988 -8.574 1.00 0.00 H new ATOM 0 HB THR A 34 -10.545 7.552 -8.770 1.00 0.00 H new ATOM 0 HG1 THR A 34 -10.625 10.145 -7.613 1.00 0.00 H new ATOM 0 HG21 THR A 34 -12.100 7.314 -6.865 1.00 0.00 H new ATOM 0 HG22 THR A 34 -10.549 6.494 -6.568 1.00 0.00 H new ATOM 0 HG23 THR A 34 -10.890 8.061 -5.796 1.00 0.00 H new ATOM 548 N GLU A 35 -8.127 8.559 -5.407 1.00 0.00 N ATOM 549 CA GLU A 35 -7.649 9.219 -4.192 1.00 0.00 C ATOM 550 C GLU A 35 -6.301 9.883 -4.474 1.00 0.00 C ATOM 551 O GLU A 35 -5.918 10.851 -3.812 1.00 0.00 O ATOM 552 CB GLU A 35 -7.519 8.191 -3.055 1.00 0.00 C ATOM 553 CG GLU A 35 -7.021 8.761 -1.728 1.00 0.00 C ATOM 554 CD GLU A 35 -8.002 9.729 -1.086 1.00 0.00 C ATOM 555 OE1 GLU A 35 -8.921 9.268 -0.374 1.00 0.00 O ATOM 556 OE2 GLU A 35 -7.851 10.954 -1.275 1.00 0.00 O ATOM 0 H GLU A 35 -8.036 7.543 -5.392 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.362 9.983 -3.884 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.491 7.726 -2.892 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.838 7.402 -3.374 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.826 7.940 -1.038 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.072 9.271 -1.892 1.00 0.00 H new ATOM 563 N PHE A 36 -5.598 9.343 -5.476 1.00 0.00 N ATOM 564 CA PHE A 36 -4.312 9.873 -5.929 1.00 0.00 C ATOM 565 C PHE A 36 -3.243 9.653 -4.854 1.00 0.00 C ATOM 566 O PHE A 36 -2.315 10.447 -4.695 1.00 0.00 O ATOM 567 CB PHE A 36 -4.453 11.363 -6.296 1.00 0.00 C ATOM 568 CG PHE A 36 -3.284 11.925 -7.064 1.00 0.00 C ATOM 569 CD1 PHE A 36 -3.005 11.476 -8.347 1.00 0.00 C ATOM 570 CD2 PHE A 36 -2.472 12.906 -6.510 1.00 0.00 C ATOM 571 CE1 PHE A 36 -1.940 11.991 -9.061 1.00 0.00 C ATOM 572 CE2 PHE A 36 -1.405 13.422 -7.220 1.00 0.00 C ATOM 573 CZ PHE A 36 -1.140 12.966 -8.497 1.00 0.00 C ATOM 0 H PHE A 36 -5.909 8.522 -5.996 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.996 9.339 -6.825 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.359 11.495 -6.887 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.583 11.940 -5.380 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.628 10.715 -8.793 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.677 13.269 -5.514 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.733 11.632 -10.058 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.778 14.182 -6.777 1.00 0.00 H new ATOM 0 HZ PHE A 36 -0.308 13.371 -9.054 1.00 0.00 H new ATOM 583 N SER A 37 -3.372 8.545 -4.131 1.00 0.00 N ATOM 584 CA SER A 37 -2.448 8.209 -3.051 1.00 0.00 C ATOM 585 C SER A 37 -2.067 6.727 -3.111 1.00 0.00 C ATOM 586 O SER A 37 -1.761 6.106 -2.088 1.00 0.00 O ATOM 587 CB SER A 37 -3.095 8.551 -1.702 1.00 0.00 C ATOM 588 OG SER A 37 -3.514 9.909 -1.667 1.00 0.00 O ATOM 0 H SER A 37 -4.113 7.859 -4.275 1.00 0.00 H new ATOM 0 HA SER A 37 -1.535 8.793 -3.165 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.951 7.898 -1.529 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.385 8.365 -0.896 1.00 0.00 H new ATOM 0 HG SER A 37 -3.924 10.102 -0.798 1.00 0.00 H new ATOM 594 N GLU A 38 -2.053 6.176 -4.324 1.00 0.00 N ATOM 595 CA GLU A 38 -1.751 4.757 -4.528 1.00 0.00 C ATOM 596 C GLU A 38 -0.276 4.461 -4.255 1.00 0.00 C ATOM 597 O GLU A 38 0.124 3.299 -4.156 1.00 0.00 O ATOM 598 CB GLU A 38 -2.132 4.304 -5.948 1.00 0.00 C ATOM 599 CG GLU A 38 -1.298 4.927 -7.067 1.00 0.00 C ATOM 600 CD GLU A 38 -1.568 6.405 -7.272 1.00 0.00 C ATOM 601 OE1 GLU A 38 -2.474 6.743 -8.061 1.00 0.00 O ATOM 602 OE2 GLU A 38 -0.870 7.235 -6.658 1.00 0.00 O ATOM 0 H GLU A 38 -2.247 6.691 -5.183 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.352 4.192 -3.816 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.038 3.220 -6.005 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.181 4.543 -6.121 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.241 4.787 -6.842 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.499 4.397 -7.998 1.00 0.00 H new ATOM 609 N GLU A 39 0.513 5.525 -4.124 1.00 0.00 N ATOM 610 CA GLU A 39 1.935 5.426 -3.784 1.00 0.00 C ATOM 611 C GLU A 39 2.165 4.436 -2.634 1.00 0.00 C ATOM 612 O GLU A 39 3.138 3.683 -2.635 1.00 0.00 O ATOM 613 CB GLU A 39 2.463 6.823 -3.410 1.00 0.00 C ATOM 614 CG GLU A 39 1.650 7.510 -2.313 1.00 0.00 C ATOM 615 CD GLU A 39 1.974 8.989 -2.164 1.00 0.00 C ATOM 616 OE1 GLU A 39 1.641 9.763 -3.088 1.00 0.00 O ATOM 617 OE2 GLU A 39 2.550 9.386 -1.126 1.00 0.00 O ATOM 0 H GLU A 39 0.186 6.483 -4.250 1.00 0.00 H new ATOM 0 HA GLU A 39 2.479 5.050 -4.650 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.499 6.735 -3.082 1.00 0.00 H new ATOM 0 HB3 GLU A 39 2.463 7.453 -4.300 1.00 0.00 H new ATOM 0 HG2 GLU A 39 0.588 7.398 -2.532 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.835 7.007 -1.364 1.00 0.00 H new ATOM 624 N ASN A 40 1.241 4.426 -1.674 1.00 0.00 N ATOM 625 CA ASN A 40 1.344 3.555 -0.503 1.00 0.00 C ATOM 626 C ASN A 40 1.152 2.078 -0.870 1.00 0.00 C ATOM 627 O ASN A 40 1.972 1.221 -0.503 1.00 0.00 O ATOM 628 CB ASN A 40 0.315 3.963 0.566 1.00 0.00 C ATOM 629 CG ASN A 40 0.706 5.225 1.326 1.00 0.00 C ATOM 630 OD1 ASN A 40 1.333 6.135 0.783 1.00 0.00 O ATOM 631 ND2 ASN A 40 0.349 5.278 2.604 1.00 0.00 N ATOM 0 H ASN A 40 0.408 5.015 -1.684 1.00 0.00 H new ATOM 0 HA ASN A 40 2.350 3.674 -0.101 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -0.652 4.119 0.089 1.00 0.00 H new ATOM 0 HB3 ASN A 40 0.192 3.144 1.274 1.00 0.00 H new ATOM 0 HD21 ASN A 40 0.594 6.091 3.169 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -0.170 4.505 3.021 1.00 0.00 H new ATOM 638 N ILE A 41 0.078 1.777 -1.597 1.00 0.00 N ATOM 639 CA ILE A 41 -0.253 0.390 -1.912 1.00 0.00 C ATOM 640 C ILE A 41 0.830 -0.225 -2.800 1.00 0.00 C ATOM 641 O ILE A 41 1.274 -1.347 -2.561 1.00 0.00 O ATOM 642 CB ILE A 41 -1.656 0.248 -2.578 1.00 0.00 C ATOM 643 CG1 ILE A 41 -2.077 -1.232 -2.636 1.00 0.00 C ATOM 644 CG2 ILE A 41 -1.678 0.870 -3.974 1.00 0.00 C ATOM 645 CD1 ILE A 41 -3.434 -1.461 -3.275 1.00 0.00 C ATOM 0 H ILE A 41 -0.571 2.467 -1.975 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.295 -0.154 -0.968 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.374 0.791 -1.963 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.325 -1.792 -3.192 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.090 -1.636 -1.624 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.671 0.753 -4.409 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.435 1.930 -3.904 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.944 0.371 -4.606 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.659 -2.527 -3.279 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.198 -0.931 -2.706 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.421 -1.089 -4.300 1.00 0.00 H new ATOM 657 N GLU A 42 1.288 0.539 -3.794 1.00 0.00 N ATOM 658 CA GLU A 42 2.341 0.077 -4.696 1.00 0.00 C ATOM 659 C GLU A 42 3.673 -0.022 -3.956 1.00 0.00 C ATOM 660 O GLU A 42 4.550 -0.797 -4.340 1.00 0.00 O ATOM 661 CB GLU A 42 2.471 1.013 -5.905 1.00 0.00 C ATOM 662 CG GLU A 42 1.251 1.002 -6.818 1.00 0.00 C ATOM 663 CD GLU A 42 1.375 1.981 -7.978 1.00 0.00 C ATOM 664 OE1 GLU A 42 1.289 3.201 -7.742 1.00 0.00 O ATOM 665 OE2 GLU A 42 1.567 1.533 -9.131 1.00 0.00 O ATOM 0 H GLU A 42 0.946 1.479 -3.993 1.00 0.00 H new ATOM 0 HA GLU A 42 2.069 -0.915 -5.057 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.640 2.030 -5.550 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.350 0.727 -6.483 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.106 -0.004 -7.211 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.364 1.247 -6.234 1.00 0.00 H new ATOM 672 N PHE A 43 3.808 0.765 -2.890 1.00 0.00 N ATOM 673 CA PHE A 43 5.011 0.754 -2.064 1.00 0.00 C ATOM 674 C PHE A 43 5.277 -0.645 -1.516 1.00 0.00 C ATOM 675 O PHE A 43 6.314 -1.247 -1.812 1.00 0.00 O ATOM 676 CB PHE A 43 4.871 1.757 -0.912 1.00 0.00 C ATOM 677 CG PHE A 43 6.080 1.852 -0.015 1.00 0.00 C ATOM 678 CD1 PHE A 43 7.142 2.675 -0.350 1.00 0.00 C ATOM 679 CD2 PHE A 43 6.143 1.136 1.173 1.00 0.00 C ATOM 680 CE1 PHE A 43 8.241 2.782 0.477 1.00 0.00 C ATOM 681 CE2 PHE A 43 7.239 1.244 2.005 1.00 0.00 C ATOM 682 CZ PHE A 43 8.290 2.068 1.656 1.00 0.00 C ATOM 0 H PHE A 43 3.093 1.422 -2.578 1.00 0.00 H new ATOM 0 HA PHE A 43 5.858 1.046 -2.685 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.665 2.743 -1.329 1.00 0.00 H new ATOM 0 HB3 PHE A 43 4.007 1.479 -0.308 1.00 0.00 H new ATOM 0 HD1 PHE A 43 7.110 3.240 -1.270 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.325 0.487 1.449 1.00 0.00 H new ATOM 0 HE1 PHE A 43 9.063 3.425 0.201 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.274 0.684 2.928 1.00 0.00 H new ATOM 0 HZ PHE A 43 9.149 2.153 2.305 1.00 0.00 H new ATOM 692 N TRP A 44 4.340 -1.183 -0.730 1.00 0.00 N ATOM 693 CA TRP A 44 4.555 -2.509 -0.144 1.00 0.00 C ATOM 694 C TRP A 44 4.289 -3.627 -1.154 1.00 0.00 C ATOM 695 O TRP A 44 4.726 -4.765 -0.960 1.00 0.00 O ATOM 696 CB TRP A 44 3.771 -2.721 1.163 1.00 0.00 C ATOM 697 CG TRP A 44 2.315 -2.377 1.121 1.00 0.00 C ATOM 698 CD1 TRP A 44 1.743 -1.238 1.601 1.00 0.00 C ATOM 699 CD2 TRP A 44 1.245 -3.181 0.608 1.00 0.00 C ATOM 700 NE1 TRP A 44 0.388 -1.283 1.427 1.00 0.00 N ATOM 701 CE2 TRP A 44 0.054 -2.463 0.812 1.00 0.00 C ATOM 702 CE3 TRP A 44 1.177 -4.436 -0.006 1.00 0.00 C ATOM 703 CZ2 TRP A 44 -1.189 -2.958 0.426 1.00 0.00 C ATOM 704 CZ3 TRP A 44 -0.057 -4.925 -0.390 1.00 0.00 C ATOM 705 CH2 TRP A 44 -1.227 -4.185 -0.173 1.00 0.00 C ATOM 0 H TRP A 44 3.454 -0.739 -0.490 1.00 0.00 H new ATOM 0 HA TRP A 44 5.611 -2.555 0.124 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.868 -3.767 1.456 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.242 -2.126 1.946 1.00 0.00 H new ATOM 0 HD1 TRP A 44 2.282 -0.418 2.053 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.269 -0.556 1.709 1.00 0.00 H new ATOM 0 HE3 TRP A 44 2.074 -5.013 -0.177 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -2.093 -2.391 0.595 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.121 -5.893 -0.865 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -2.177 -4.593 -0.485 1.00 0.00 H new ATOM 716 N ILE A 45 3.595 -3.309 -2.241 1.00 0.00 N ATOM 717 CA ILE A 45 3.507 -4.228 -3.373 1.00 0.00 C ATOM 718 C ILE A 45 4.905 -4.423 -3.969 1.00 0.00 C ATOM 719 O ILE A 45 5.295 -5.532 -4.349 1.00 0.00 O ATOM 720 CB ILE A 45 2.516 -3.712 -4.457 1.00 0.00 C ATOM 721 CG1 ILE A 45 1.061 -3.938 -4.004 1.00 0.00 C ATOM 722 CG2 ILE A 45 2.768 -4.371 -5.815 1.00 0.00 C ATOM 723 CD1 ILE A 45 0.023 -3.421 -4.982 1.00 0.00 C ATOM 0 H ILE A 45 3.089 -2.432 -2.364 1.00 0.00 H new ATOM 0 HA ILE A 45 3.122 -5.184 -3.017 1.00 0.00 H new ATOM 0 HB ILE A 45 2.685 -2.642 -4.578 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.901 -5.005 -3.850 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.912 -3.451 -3.040 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.056 -3.985 -6.545 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.783 -4.148 -6.145 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.645 -5.450 -5.724 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.975 -3.618 -4.591 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.154 -2.348 -5.118 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.143 -3.926 -5.941 1.00 0.00 H new ATOM 735 N ALA A 46 5.666 -3.330 -4.006 1.00 0.00 N ATOM 736 CA ALA A 46 7.031 -3.350 -4.511 1.00 0.00 C ATOM 737 C ALA A 46 7.971 -4.050 -3.529 1.00 0.00 C ATOM 738 O ALA A 46 8.915 -4.727 -3.944 1.00 0.00 O ATOM 739 CB ALA A 46 7.516 -1.930 -4.793 1.00 0.00 C ATOM 0 H ALA A 46 5.353 -2.413 -3.688 1.00 0.00 H new ATOM 0 HA ALA A 46 7.037 -3.914 -5.444 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.538 -1.963 -5.170 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.869 -1.466 -5.538 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.487 -1.346 -3.873 1.00 0.00 H new ATOM 745 N CYS A 47 7.710 -3.891 -2.229 1.00 0.00 N ATOM 746 CA CYS A 47 8.556 -4.504 -1.206 1.00 0.00 C ATOM 747 C CYS A 47 8.335 -6.016 -1.164 1.00 0.00 C ATOM 748 O CYS A 47 9.208 -6.767 -0.712 1.00 0.00 O ATOM 749 CB CYS A 47 8.306 -3.886 0.176 1.00 0.00 C ATOM 750 SG CYS A 47 6.722 -4.324 0.918 1.00 0.00 S ATOM 0 H CYS A 47 6.927 -3.348 -1.864 1.00 0.00 H new ATOM 0 HA CYS A 47 9.594 -4.308 -1.474 1.00 0.00 H new ATOM 0 HB2 CYS A 47 9.106 -4.196 0.848 1.00 0.00 H new ATOM 0 HB3 CYS A 47 8.365 -2.801 0.090 1.00 0.00 H new ATOM 0 HG CYS A 47 6.922 -5.098 1.943 1.00 0.00 H new ATOM 756 N GLU A 48 7.166 -6.464 -1.629 1.00 0.00 N ATOM 757 CA GLU A 48 6.928 -7.892 -1.818 1.00 0.00 C ATOM 758 C GLU A 48 7.807 -8.398 -2.952 1.00 0.00 C ATOM 759 O GLU A 48 8.551 -9.363 -2.791 1.00 0.00 O ATOM 760 CB GLU A 48 5.457 -8.197 -2.133 1.00 0.00 C ATOM 761 CG GLU A 48 5.201 -9.686 -2.363 1.00 0.00 C ATOM 762 CD GLU A 48 3.799 -9.990 -2.860 1.00 0.00 C ATOM 763 OE1 GLU A 48 2.884 -10.136 -2.023 1.00 0.00 O ATOM 764 OE2 GLU A 48 3.613 -10.111 -4.092 1.00 0.00 O ATOM 0 H GLU A 48 6.379 -5.864 -1.878 1.00 0.00 H new ATOM 0 HA GLU A 48 7.175 -8.399 -0.885 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.833 -7.848 -1.310 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.156 -7.639 -3.020 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.924 -10.063 -3.086 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.372 -10.224 -1.431 1.00 0.00 H new ATOM 771 N ASP A 49 7.724 -7.721 -4.096 1.00 0.00 N ATOM 772 CA ASP A 49 8.572 -8.032 -5.250 1.00 0.00 C ATOM 773 C ASP A 49 10.050 -7.968 -4.856 1.00 0.00 C ATOM 774 O ASP A 49 10.898 -8.650 -5.435 1.00 0.00 O ATOM 775 CB ASP A 49 8.280 -7.054 -6.400 1.00 0.00 C ATOM 776 CG ASP A 49 9.278 -7.169 -7.546 1.00 0.00 C ATOM 777 OD1 ASP A 49 9.206 -8.146 -8.316 1.00 0.00 O ATOM 778 OD2 ASP A 49 10.153 -6.285 -7.669 1.00 0.00 O ATOM 0 H ASP A 49 7.075 -6.949 -4.251 1.00 0.00 H new ATOM 0 HA ASP A 49 8.348 -9.044 -5.588 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.275 -7.238 -6.780 1.00 0.00 H new ATOM 0 HB3 ASP A 49 8.293 -6.034 -6.015 1.00 0.00 H new ATOM 783 N PHE A 50 10.338 -7.145 -3.851 1.00 0.00 N ATOM 784 CA PHE A 50 11.689 -6.996 -3.323 1.00 0.00 C ATOM 785 C PHE A 50 12.130 -8.260 -2.580 1.00 0.00 C ATOM 786 O PHE A 50 13.204 -8.796 -2.845 1.00 0.00 O ATOM 787 CB PHE A 50 11.753 -5.767 -2.405 1.00 0.00 C ATOM 788 CG PHE A 50 13.086 -5.550 -1.740 1.00 0.00 C ATOM 789 CD1 PHE A 50 14.226 -5.335 -2.496 1.00 0.00 C ATOM 790 CD2 PHE A 50 13.197 -5.562 -0.357 1.00 0.00 C ATOM 791 CE1 PHE A 50 15.447 -5.136 -1.887 1.00 0.00 C ATOM 792 CE2 PHE A 50 14.418 -5.364 0.256 1.00 0.00 C ATOM 793 CZ PHE A 50 15.545 -5.150 -0.511 1.00 0.00 C ATOM 0 H PHE A 50 9.643 -6.565 -3.382 1.00 0.00 H new ATOM 0 HA PHE A 50 12.378 -6.849 -4.155 1.00 0.00 H new ATOM 0 HB2 PHE A 50 11.504 -4.881 -2.989 1.00 0.00 H new ATOM 0 HB3 PHE A 50 10.989 -5.866 -1.634 1.00 0.00 H new ATOM 0 HD1 PHE A 50 14.158 -5.323 -3.574 1.00 0.00 H new ATOM 0 HD2 PHE A 50 12.317 -5.728 0.247 1.00 0.00 H new ATOM 0 HE1 PHE A 50 16.328 -4.969 -2.488 1.00 0.00 H new ATOM 0 HE2 PHE A 50 14.491 -5.377 1.333 1.00 0.00 H new ATOM 0 HZ PHE A 50 16.502 -4.994 -0.035 1.00 0.00 H new ATOM 803 N LYS A 51 11.294 -8.743 -1.662 1.00 0.00 N ATOM 804 CA LYS A 51 11.608 -9.965 -0.914 1.00 0.00 C ATOM 805 C LYS A 51 11.470 -11.188 -1.821 1.00 0.00 C ATOM 806 O LYS A 51 12.029 -12.254 -1.548 1.00 0.00 O ATOM 807 CB LYS A 51 10.683 -10.117 0.307 1.00 0.00 C ATOM 808 CG LYS A 51 9.234 -10.437 -0.054 1.00 0.00 C ATOM 809 CD LYS A 51 8.366 -10.700 1.176 1.00 0.00 C ATOM 810 CE LYS A 51 6.962 -11.134 0.770 1.00 0.00 C ATOM 811 NZ LYS A 51 6.086 -11.411 1.940 1.00 0.00 N ATOM 0 H LYS A 51 10.402 -8.314 -1.418 1.00 0.00 H new ATOM 0 HA LYS A 51 12.637 -9.890 -0.562 1.00 0.00 H new ATOM 0 HB2 LYS A 51 11.071 -10.908 0.949 1.00 0.00 H new ATOM 0 HB3 LYS A 51 10.708 -9.195 0.887 1.00 0.00 H new ATOM 0 HG2 LYS A 51 8.813 -9.607 -0.620 1.00 0.00 H new ATOM 0 HG3 LYS A 51 9.210 -11.311 -0.705 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.826 -11.473 1.792 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.310 -9.798 1.786 1.00 0.00 H new ATOM 0 HE2 LYS A 51 6.508 -10.355 0.158 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.027 -12.028 0.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.144 -11.702 1.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.502 -12.173 2.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.998 -10.552 2.519 1.00 0.00 H new ATOM 825 N LYS A 52 10.709 -11.014 -2.898 1.00 0.00 N ATOM 826 CA LYS A 52 10.415 -12.088 -3.836 1.00 0.00 C ATOM 827 C LYS A 52 11.627 -12.393 -4.715 1.00 0.00 C ATOM 828 O LYS A 52 11.904 -13.555 -5.020 1.00 0.00 O ATOM 829 CB LYS A 52 9.204 -11.697 -4.692 1.00 0.00 C ATOM 830 CG LYS A 52 8.750 -12.771 -5.673 1.00 0.00 C ATOM 831 CD LYS A 52 7.424 -12.404 -6.342 1.00 0.00 C ATOM 832 CE LYS A 52 6.310 -12.209 -5.315 1.00 0.00 C ATOM 833 NZ LYS A 52 5.017 -11.839 -5.950 1.00 0.00 N ATOM 0 H LYS A 52 10.279 -10.122 -3.143 1.00 0.00 H new ATOM 0 HA LYS A 52 10.180 -12.994 -3.277 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.372 -11.451 -4.032 1.00 0.00 H new ATOM 0 HB3 LYS A 52 9.446 -10.792 -5.250 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.515 -12.913 -6.436 1.00 0.00 H new ATOM 0 HG3 LYS A 52 8.642 -13.720 -5.149 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.549 -11.489 -6.922 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.140 -13.189 -7.043 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.182 -13.128 -4.742 1.00 0.00 H new ATOM 0 HE3 LYS A 52 6.601 -11.431 -4.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.480 -11.220 -5.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 5.200 -11.339 -6.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 4.466 -12.700 -6.142 1.00 0.00 H new ATOM 847 N SER A 53 12.351 -11.349 -5.113 1.00 0.00 N ATOM 848 CA SER A 53 13.572 -11.525 -5.890 1.00 0.00 C ATOM 849 C SER A 53 14.615 -12.288 -5.074 1.00 0.00 C ATOM 850 O SER A 53 14.903 -11.937 -3.929 1.00 0.00 O ATOM 851 CB SER A 53 14.113 -10.166 -6.353 1.00 0.00 C ATOM 852 OG SER A 53 13.879 -9.154 -5.386 1.00 0.00 O ATOM 0 H SER A 53 12.114 -10.378 -4.911 1.00 0.00 H new ATOM 0 HA SER A 53 13.343 -12.114 -6.778 1.00 0.00 H new ATOM 0 HB2 SER A 53 15.183 -10.246 -6.545 1.00 0.00 H new ATOM 0 HB3 SER A 53 13.640 -9.887 -7.294 1.00 0.00 H new ATOM 0 HG SER A 53 13.890 -9.550 -4.489 1.00 0.00 H new ATOM 858 N LYS A 54 15.162 -13.343 -5.668 1.00 0.00 N ATOM 859 CA LYS A 54 16.089 -14.238 -4.976 1.00 0.00 C ATOM 860 C LYS A 54 17.534 -13.957 -5.381 1.00 0.00 C ATOM 861 O LYS A 54 18.464 -14.597 -4.882 1.00 0.00 O ATOM 862 CB LYS A 54 15.702 -15.704 -5.257 1.00 0.00 C ATOM 863 CG LYS A 54 15.618 -16.075 -6.744 1.00 0.00 C ATOM 864 CD LYS A 54 16.958 -16.550 -7.312 1.00 0.00 C ATOM 865 CE LYS A 54 17.422 -17.847 -6.652 1.00 0.00 C ATOM 866 NZ LYS A 54 16.420 -18.936 -6.797 1.00 0.00 N ATOM 0 H LYS A 54 14.978 -13.603 -6.637 1.00 0.00 H new ATOM 0 HA LYS A 54 16.017 -14.058 -3.903 1.00 0.00 H new ATOM 0 HB2 LYS A 54 16.431 -16.356 -4.775 1.00 0.00 H new ATOM 0 HB3 LYS A 54 14.737 -15.906 -4.792 1.00 0.00 H new ATOM 0 HG2 LYS A 54 14.873 -16.860 -6.877 1.00 0.00 H new ATOM 0 HG3 LYS A 54 15.274 -15.210 -7.311 1.00 0.00 H new ATOM 0 HD2 LYS A 54 16.864 -16.702 -8.387 1.00 0.00 H new ATOM 0 HD3 LYS A 54 17.711 -15.776 -7.164 1.00 0.00 H new ATOM 0 HE2 LYS A 54 18.366 -18.162 -7.096 1.00 0.00 H new ATOM 0 HE3 LYS A 54 17.612 -17.667 -5.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 16.859 -19.847 -6.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 15.618 -18.757 -6.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 16.081 -18.967 -7.780 1.00 0.00 H new ATOM 880 N GLY A 55 17.713 -13.005 -6.292 1.00 0.00 N ATOM 881 CA GLY A 55 19.044 -12.616 -6.718 1.00 0.00 C ATOM 882 C GLY A 55 19.623 -11.520 -5.836 1.00 0.00 C ATOM 883 O GLY A 55 19.090 -10.409 -5.812 1.00 0.00 O ATOM 0 H GLY A 55 16.955 -12.494 -6.744 1.00 0.00 H new ATOM 0 HA2 GLY A 55 19.701 -13.485 -6.696 1.00 0.00 H new ATOM 0 HA3 GLY A 55 19.008 -12.270 -7.751 1.00 0.00 H new ATOM 887 N PRO A 56 20.715 -11.802 -5.091 1.00 0.00 N ATOM 888 CA PRO A 56 21.341 -10.822 -4.186 1.00 0.00 C ATOM 889 C PRO A 56 21.684 -9.511 -4.895 1.00 0.00 C ATOM 890 O PRO A 56 21.613 -8.430 -4.305 1.00 0.00 O ATOM 891 CB PRO A 56 22.618 -11.535 -3.714 1.00 0.00 C ATOM 892 CG PRO A 56 22.309 -12.987 -3.855 1.00 0.00 C ATOM 893 CD PRO A 56 21.421 -13.100 -5.065 1.00 0.00 C ATOM 0 HA PRO A 56 20.675 -10.535 -3.372 1.00 0.00 H new ATOM 0 HB2 PRO A 56 23.478 -11.252 -4.321 1.00 0.00 H new ATOM 0 HB3 PRO A 56 22.857 -11.279 -2.682 1.00 0.00 H new ATOM 0 HG2 PRO A 56 23.221 -13.570 -3.983 1.00 0.00 H new ATOM 0 HG3 PRO A 56 21.808 -13.369 -2.965 1.00 0.00 H new ATOM 0 HD2 PRO A 56 21.999 -13.262 -5.975 1.00 0.00 H new ATOM 0 HD3 PRO A 56 20.725 -13.935 -4.977 1.00 0.00 H new ATOM 901 N GLN A 57 22.051 -9.618 -6.169 1.00 0.00 N ATOM 902 CA GLN A 57 22.373 -8.448 -6.981 1.00 0.00 C ATOM 903 C GLN A 57 21.122 -7.594 -7.167 1.00 0.00 C ATOM 904 O GLN A 57 21.137 -6.381 -6.934 1.00 0.00 O ATOM 905 CB GLN A 57 22.914 -8.885 -8.349 1.00 0.00 C ATOM 906 CG GLN A 57 24.052 -9.900 -8.268 1.00 0.00 C ATOM 907 CD GLN A 57 24.455 -10.433 -9.632 1.00 0.00 C ATOM 908 OE1 GLN A 57 24.352 -9.733 -10.640 1.00 0.00 O ATOM 909 NE2 GLN A 57 24.907 -11.675 -9.676 1.00 0.00 N ATOM 0 H GLN A 57 22.133 -10.507 -6.663 1.00 0.00 H new ATOM 0 HA GLN A 57 23.138 -7.862 -6.472 1.00 0.00 H new ATOM 0 HB2 GLN A 57 22.098 -9.314 -8.931 1.00 0.00 H new ATOM 0 HB3 GLN A 57 23.263 -8.005 -8.889 1.00 0.00 H new ATOM 0 HG2 GLN A 57 24.916 -9.435 -7.794 1.00 0.00 H new ATOM 0 HG3 GLN A 57 23.748 -10.731 -7.632 1.00 0.00 H new ATOM 0 HE21 GLN A 57 24.978 -12.223 -8.818 1.00 0.00 H new ATOM 0 HE22 GLN A 57 25.185 -12.085 -10.567 1.00 0.00 H new ATOM 918 N GLN A 58 20.037 -8.262 -7.563 1.00 0.00 N ATOM 919 CA GLN A 58 18.745 -7.617 -7.786 1.00 0.00 C ATOM 920 C GLN A 58 18.258 -6.937 -6.508 1.00 0.00 C ATOM 921 O GLN A 58 17.700 -5.845 -6.554 1.00 0.00 O ATOM 922 CB GLN A 58 17.722 -8.663 -8.264 1.00 0.00 C ATOM 923 CG GLN A 58 16.324 -8.114 -8.538 1.00 0.00 C ATOM 924 CD GLN A 58 16.293 -7.066 -9.641 1.00 0.00 C ATOM 925 OE1 GLN A 58 16.416 -5.868 -9.383 1.00 0.00 O ATOM 926 NE2 GLN A 58 16.130 -7.512 -10.876 1.00 0.00 N ATOM 0 H GLN A 58 20.031 -9.267 -7.738 1.00 0.00 H new ATOM 0 HA GLN A 58 18.857 -6.852 -8.554 1.00 0.00 H new ATOM 0 HB2 GLN A 58 18.099 -9.129 -9.174 1.00 0.00 H new ATOM 0 HB3 GLN A 58 17.648 -9.448 -7.511 1.00 0.00 H new ATOM 0 HG2 GLN A 58 15.665 -8.938 -8.811 1.00 0.00 H new ATOM 0 HG3 GLN A 58 15.926 -7.678 -7.621 1.00 0.00 H new ATOM 0 HE21 GLN A 58 16.032 -8.513 -11.048 1.00 0.00 H new ATOM 0 HE22 GLN A 58 16.103 -6.855 -11.656 1.00 0.00 H new ATOM 935 N ILE A 59 18.494 -7.587 -5.370 1.00 0.00 N ATOM 936 CA ILE A 59 18.104 -7.045 -4.068 1.00 0.00 C ATOM 937 C ILE A 59 18.674 -5.639 -3.865 1.00 0.00 C ATOM 938 O ILE A 59 17.937 -4.693 -3.589 1.00 0.00 O ATOM 939 CB ILE A 59 18.581 -7.966 -2.908 1.00 0.00 C ATOM 940 CG1 ILE A 59 17.895 -9.342 -2.988 1.00 0.00 C ATOM 941 CG2 ILE A 59 18.329 -7.317 -1.544 1.00 0.00 C ATOM 942 CD1 ILE A 59 16.389 -9.289 -2.836 1.00 0.00 C ATOM 0 H ILE A 59 18.956 -8.495 -5.323 1.00 0.00 H new ATOM 0 HA ILE A 59 17.015 -6.995 -4.055 1.00 0.00 H new ATOM 0 HB ILE A 59 19.656 -8.109 -3.017 1.00 0.00 H new ATOM 0 HG12 ILE A 59 18.137 -9.802 -3.946 1.00 0.00 H new ATOM 0 HG13 ILE A 59 18.306 -9.987 -2.211 1.00 0.00 H new ATOM 0 HG21 ILE A 59 18.673 -7.985 -0.754 1.00 0.00 H new ATOM 0 HG22 ILE A 59 18.872 -6.374 -1.484 1.00 0.00 H new ATOM 0 HG23 ILE A 59 17.262 -7.130 -1.422 1.00 0.00 H new ATOM 0 HD11 ILE A 59 15.981 -10.297 -2.904 1.00 0.00 H new ATOM 0 HD12 ILE A 59 16.136 -8.860 -1.867 1.00 0.00 H new ATOM 0 HD13 ILE A 59 15.965 -8.672 -3.628 1.00 0.00 H new ATOM 954 N HIS A 60 19.987 -5.506 -4.027 1.00 0.00 N ATOM 955 CA HIS A 60 20.665 -4.232 -3.784 1.00 0.00 C ATOM 956 C HIS A 60 20.181 -3.151 -4.752 1.00 0.00 C ATOM 957 O HIS A 60 19.861 -2.034 -4.339 1.00 0.00 O ATOM 958 CB HIS A 60 22.187 -4.395 -3.892 1.00 0.00 C ATOM 959 CG HIS A 60 22.799 -5.159 -2.753 1.00 0.00 C ATOM 960 ND1 HIS A 60 22.563 -6.410 -2.292 1.00 0.00 N flip ATOM 961 CD2 HIS A 60 23.790 -4.642 -1.949 1.00 0.00 C flip ATOM 962 CE1 HIS A 60 23.408 -6.623 -1.232 1.00 0.00 C flip ATOM 963 NE2 HIS A 60 24.136 -5.540 -1.047 1.00 0.00 N flip ATOM 0 H HIS A 60 20.604 -6.262 -4.325 1.00 0.00 H new ATOM 0 HA HIS A 60 20.418 -3.917 -2.770 1.00 0.00 H new ATOM 0 HB2 HIS A 60 22.423 -4.904 -4.827 1.00 0.00 H new ATOM 0 HB3 HIS A 60 22.646 -3.408 -3.942 1.00 0.00 H new ATOM 0 HD1 HIS A 60 21.882 -7.072 -2.664 1.00 0.00 H new ATOM 0 HD2 HIS A 60 24.218 -3.655 -2.042 1.00 0.00 H new ATOM 0 HE1 HIS A 60 23.467 -7.528 -0.646 1.00 0.00 H new ATOM 0 HE2 HIS A 60 24.848 -5.417 -0.327 1.00 0.00 H new ATOM 972 N LEU A 61 20.115 -3.497 -6.032 1.00 0.00 N ATOM 973 CA LEU A 61 19.742 -2.538 -7.070 1.00 0.00 C ATOM 974 C LEU A 61 18.281 -2.115 -6.929 1.00 0.00 C ATOM 975 O LEU A 61 17.954 -0.931 -7.018 1.00 0.00 O ATOM 976 CB LEU A 61 19.993 -3.146 -8.456 1.00 0.00 C ATOM 977 CG LEU A 61 21.448 -3.568 -8.726 1.00 0.00 C ATOM 978 CD1 LEU A 61 21.582 -4.203 -10.105 1.00 0.00 C ATOM 979 CD2 LEU A 61 22.394 -2.374 -8.584 1.00 0.00 C ATOM 0 H LEU A 61 20.315 -4.435 -6.378 1.00 0.00 H new ATOM 0 HA LEU A 61 20.359 -1.647 -6.954 1.00 0.00 H new ATOM 0 HB2 LEU A 61 19.349 -4.017 -8.576 1.00 0.00 H new ATOM 0 HB3 LEU A 61 19.694 -2.422 -9.214 1.00 0.00 H new ATOM 0 HG LEU A 61 21.728 -4.314 -7.982 1.00 0.00 H new ATOM 0 HD11 LEU A 61 22.619 -4.493 -10.273 1.00 0.00 H new ATOM 0 HD12 LEU A 61 20.945 -5.085 -10.163 1.00 0.00 H new ATOM 0 HD13 LEU A 61 21.278 -3.485 -10.867 1.00 0.00 H new ATOM 0 HD21 LEU A 61 23.417 -2.695 -8.779 1.00 0.00 H new ATOM 0 HD22 LEU A 61 22.114 -1.601 -9.299 1.00 0.00 H new ATOM 0 HD23 LEU A 61 22.326 -1.974 -7.572 1.00 0.00 H new ATOM 991 N LYS A 62 17.412 -3.089 -6.687 1.00 0.00 N ATOM 992 CA LYS A 62 15.981 -2.836 -6.554 1.00 0.00 C ATOM 993 C LYS A 62 15.704 -1.957 -5.341 1.00 0.00 C ATOM 994 O LYS A 62 14.874 -1.051 -5.397 1.00 0.00 O ATOM 995 CB LYS A 62 15.217 -4.157 -6.427 1.00 0.00 C ATOM 996 CG LYS A 62 13.704 -3.988 -6.349 1.00 0.00 C ATOM 997 CD LYS A 62 12.997 -5.328 -6.186 1.00 0.00 C ATOM 998 CE LYS A 62 13.307 -6.280 -7.333 1.00 0.00 C ATOM 999 NZ LYS A 62 12.565 -7.558 -7.199 1.00 0.00 N ATOM 0 H LYS A 62 17.675 -4.068 -6.578 1.00 0.00 H new ATOM 0 HA LYS A 62 15.641 -2.315 -7.449 1.00 0.00 H new ATOM 0 HB2 LYS A 62 15.459 -4.789 -7.281 1.00 0.00 H new ATOM 0 HB3 LYS A 62 15.561 -4.681 -5.535 1.00 0.00 H new ATOM 0 HG2 LYS A 62 13.453 -3.339 -5.510 1.00 0.00 H new ATOM 0 HG3 LYS A 62 13.345 -3.494 -7.252 1.00 0.00 H new ATOM 0 HD2 LYS A 62 13.299 -5.785 -5.244 1.00 0.00 H new ATOM 0 HD3 LYS A 62 11.921 -5.166 -6.131 1.00 0.00 H new ATOM 0 HE2 LYS A 62 13.048 -5.806 -8.280 1.00 0.00 H new ATOM 0 HE3 LYS A 62 14.378 -6.482 -7.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 12.788 -8.175 -8.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 12.844 -8.030 -6.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.543 -7.366 -7.182 1.00 0.00 H new ATOM 1013 N ALA A 63 16.408 -2.230 -4.246 1.00 0.00 N ATOM 1014 CA ALA A 63 16.269 -1.439 -3.028 1.00 0.00 C ATOM 1015 C ALA A 63 16.636 0.015 -3.294 1.00 0.00 C ATOM 1016 O ALA A 63 15.970 0.934 -2.816 1.00 0.00 O ATOM 1017 CB ALA A 63 17.145 -2.006 -1.921 1.00 0.00 C ATOM 0 H ALA A 63 17.081 -2.994 -4.178 1.00 0.00 H new ATOM 0 HA ALA A 63 15.228 -1.484 -2.706 1.00 0.00 H new ATOM 0 HB1 ALA A 63 17.029 -1.403 -1.020 1.00 0.00 H new ATOM 0 HB2 ALA A 63 16.847 -3.033 -1.711 1.00 0.00 H new ATOM 0 HB3 ALA A 63 18.188 -1.988 -2.237 1.00 0.00 H new ATOM 1023 N LYS A 64 17.698 0.209 -4.072 1.00 0.00 N ATOM 1024 CA LYS A 64 18.154 1.544 -4.441 1.00 0.00 C ATOM 1025 C LYS A 64 17.110 2.232 -5.322 1.00 0.00 C ATOM 1026 O LYS A 64 16.865 3.433 -5.193 1.00 0.00 O ATOM 1027 CB LYS A 64 19.507 1.462 -5.163 1.00 0.00 C ATOM 1028 CG LYS A 64 20.116 2.820 -5.496 1.00 0.00 C ATOM 1029 CD LYS A 64 21.531 2.684 -6.052 1.00 0.00 C ATOM 1030 CE LYS A 64 22.148 4.042 -6.366 1.00 0.00 C ATOM 1031 NZ LYS A 64 21.439 4.729 -7.480 1.00 0.00 N ATOM 0 H LYS A 64 18.261 -0.548 -4.461 1.00 0.00 H new ATOM 0 HA LYS A 64 18.284 2.137 -3.536 1.00 0.00 H new ATOM 0 HB2 LYS A 64 20.206 0.905 -4.540 1.00 0.00 H new ATOM 0 HB3 LYS A 64 19.381 0.896 -6.086 1.00 0.00 H new ATOM 0 HG2 LYS A 64 19.487 3.332 -6.224 1.00 0.00 H new ATOM 0 HG3 LYS A 64 20.135 3.440 -4.599 1.00 0.00 H new ATOM 0 HD2 LYS A 64 22.156 2.159 -5.330 1.00 0.00 H new ATOM 0 HD3 LYS A 64 21.509 2.076 -6.957 1.00 0.00 H new ATOM 0 HE2 LYS A 64 22.118 4.669 -5.475 1.00 0.00 H new ATOM 0 HE3 LYS A 64 23.198 3.912 -6.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 21.958 5.591 -7.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 21.386 4.094 -8.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 20.477 4.983 -7.176 1.00 0.00 H new ATOM 1045 N ALA A 65 16.487 1.453 -6.205 1.00 0.00 N ATOM 1046 CA ALA A 65 15.416 1.959 -7.061 1.00 0.00 C ATOM 1047 C ALA A 65 14.235 2.432 -6.213 1.00 0.00 C ATOM 1048 O ALA A 65 13.770 3.566 -6.350 1.00 0.00 O ATOM 1049 CB ALA A 65 14.971 0.886 -8.054 1.00 0.00 C ATOM 0 H ALA A 65 16.706 0.467 -6.346 1.00 0.00 H new ATOM 0 HA ALA A 65 15.797 2.810 -7.626 1.00 0.00 H new ATOM 0 HB1 ALA A 65 14.173 1.281 -8.683 1.00 0.00 H new ATOM 0 HB2 ALA A 65 15.816 0.596 -8.679 1.00 0.00 H new ATOM 0 HB3 ALA A 65 14.606 0.015 -7.509 1.00 0.00 H new ATOM 1055 N ILE A 66 13.769 1.560 -5.318 1.00 0.00 N ATOM 1056 CA ILE A 66 12.670 1.883 -4.408 1.00 0.00 C ATOM 1057 C ILE A 66 13.043 3.088 -3.544 1.00 0.00 C ATOM 1058 O ILE A 66 12.203 3.938 -3.233 1.00 0.00 O ATOM 1059 CB ILE A 66 12.318 0.674 -3.495 1.00 0.00 C ATOM 1060 CG1 ILE A 66 11.876 -0.531 -4.347 1.00 0.00 C ATOM 1061 CG2 ILE A 66 11.233 1.049 -2.481 1.00 0.00 C ATOM 1062 CD1 ILE A 66 11.581 -1.781 -3.539 1.00 0.00 C ATOM 0 H ILE A 66 14.140 0.617 -5.204 1.00 0.00 H new ATOM 0 HA ILE A 66 11.794 2.122 -5.012 1.00 0.00 H new ATOM 0 HB ILE A 66 13.213 0.395 -2.939 1.00 0.00 H new ATOM 0 HG12 ILE A 66 10.985 -0.257 -4.912 1.00 0.00 H new ATOM 0 HG13 ILE A 66 12.657 -0.756 -5.073 1.00 0.00 H new ATOM 0 HG21 ILE A 66 11.006 0.186 -1.855 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.588 1.868 -1.855 1.00 0.00 H new ATOM 0 HG23 ILE A 66 10.332 1.361 -3.010 1.00 0.00 H new ATOM 0 HD11 ILE A 66 11.276 -2.584 -4.210 1.00 0.00 H new ATOM 0 HD12 ILE A 66 12.476 -2.082 -2.995 1.00 0.00 H new ATOM 0 HD13 ILE A 66 10.778 -1.576 -2.831 1.00 0.00 H new ATOM 1074 N TYR A 67 14.317 3.156 -3.180 1.00 0.00 N ATOM 1075 CA TYR A 67 14.843 4.256 -2.385 1.00 0.00 C ATOM 1076 C TYR A 67 14.616 5.589 -3.096 1.00 0.00 C ATOM 1077 O TYR A 67 13.901 6.456 -2.596 1.00 0.00 O ATOM 1078 CB TYR A 67 16.340 4.034 -2.126 1.00 0.00 C ATOM 1079 CG TYR A 67 17.008 5.118 -1.298 1.00 0.00 C ATOM 1080 CD1 TYR A 67 16.827 5.175 0.079 1.00 0.00 C ATOM 1081 CD2 TYR A 67 17.830 6.073 -1.891 1.00 0.00 C ATOM 1082 CE1 TYR A 67 17.444 6.148 0.838 1.00 0.00 C ATOM 1083 CE2 TYR A 67 18.448 7.050 -1.135 1.00 0.00 C ATOM 1084 CZ TYR A 67 18.253 7.083 0.228 1.00 0.00 C ATOM 1085 OH TYR A 67 18.873 8.051 0.987 1.00 0.00 O ATOM 0 H TYR A 67 15.012 2.452 -3.427 1.00 0.00 H new ATOM 0 HA TYR A 67 14.317 4.287 -1.431 1.00 0.00 H new ATOM 0 HB2 TYR A 67 16.469 3.077 -1.620 1.00 0.00 H new ATOM 0 HB3 TYR A 67 16.854 3.959 -3.085 1.00 0.00 H new ATOM 0 HD1 TYR A 67 16.193 4.446 0.562 1.00 0.00 H new ATOM 0 HD2 TYR A 67 17.987 6.049 -2.959 1.00 0.00 H new ATOM 0 HE1 TYR A 67 17.294 6.177 1.907 1.00 0.00 H new ATOM 0 HE2 TYR A 67 19.081 7.785 -1.610 1.00 0.00 H new ATOM 0 HH TYR A 67 19.408 8.630 0.405 1.00 0.00 H new ATOM 1095 N GLU A 68 15.197 5.720 -4.282 1.00 0.00 N ATOM 1096 CA GLU A 68 15.166 6.975 -5.035 1.00 0.00 C ATOM 1097 C GLU A 68 13.767 7.283 -5.573 1.00 0.00 C ATOM 1098 O GLU A 68 13.474 8.423 -5.945 1.00 0.00 O ATOM 1099 CB GLU A 68 16.155 6.903 -6.202 1.00 0.00 C ATOM 1100 CG GLU A 68 17.590 6.613 -5.778 1.00 0.00 C ATOM 1101 CD GLU A 68 18.530 6.491 -6.964 1.00 0.00 C ATOM 1102 OE1 GLU A 68 19.017 7.532 -7.452 1.00 0.00 O ATOM 1103 OE2 GLU A 68 18.784 5.359 -7.418 1.00 0.00 O ATOM 0 H GLU A 68 15.701 4.967 -4.750 1.00 0.00 H new ATOM 0 HA GLU A 68 15.448 7.776 -4.352 1.00 0.00 H new ATOM 0 HB2 GLU A 68 15.828 6.128 -6.896 1.00 0.00 H new ATOM 0 HB3 GLU A 68 16.131 7.848 -6.745 1.00 0.00 H new ATOM 0 HG2 GLU A 68 17.940 7.409 -5.121 1.00 0.00 H new ATOM 0 HG3 GLU A 68 17.616 5.689 -5.201 1.00 0.00 H new ATOM 1110 N LYS A 69 12.914 6.267 -5.628 1.00 0.00 N ATOM 1111 CA LYS A 69 11.591 6.408 -6.231 1.00 0.00 C ATOM 1112 C LYS A 69 10.511 6.668 -5.181 1.00 0.00 C ATOM 1113 O LYS A 69 9.507 7.324 -5.470 1.00 0.00 O ATOM 1114 CB LYS A 69 11.257 5.148 -7.044 1.00 0.00 C ATOM 1115 CG LYS A 69 10.001 5.265 -7.906 1.00 0.00 C ATOM 1116 CD LYS A 69 9.814 4.037 -8.798 1.00 0.00 C ATOM 1117 CE LYS A 69 8.623 4.190 -9.736 1.00 0.00 C ATOM 1118 NZ LYS A 69 8.486 3.027 -10.652 1.00 0.00 N ATOM 0 H LYS A 69 13.113 5.336 -5.263 1.00 0.00 H new ATOM 0 HA LYS A 69 11.612 7.274 -6.893 1.00 0.00 H new ATOM 0 HB2 LYS A 69 12.104 4.912 -7.688 1.00 0.00 H new ATOM 0 HB3 LYS A 69 11.135 4.310 -6.358 1.00 0.00 H new ATOM 0 HG2 LYS A 69 9.128 5.385 -7.264 1.00 0.00 H new ATOM 0 HG3 LYS A 69 10.066 6.159 -8.526 1.00 0.00 H new ATOM 0 HD2 LYS A 69 10.718 3.873 -9.384 1.00 0.00 H new ATOM 0 HD3 LYS A 69 9.674 3.154 -8.175 1.00 0.00 H new ATOM 0 HE2 LYS A 69 7.711 4.300 -9.150 1.00 0.00 H new ATOM 0 HE3 LYS A 69 8.737 5.102 -10.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 7.665 3.170 -11.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 9.346 2.937 -11.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 8.352 2.160 -10.094 1.00 0.00 H new ATOM 1132 N PHE A 70 10.719 6.171 -3.960 1.00 0.00 N ATOM 1133 CA PHE A 70 9.688 6.248 -2.920 1.00 0.00 C ATOM 1134 C PHE A 70 10.233 6.791 -1.595 1.00 0.00 C ATOM 1135 O PHE A 70 9.617 7.660 -0.976 1.00 0.00 O ATOM 1136 CB PHE A 70 9.067 4.862 -2.686 1.00 0.00 C ATOM 1137 CG PHE A 70 8.415 4.257 -3.909 1.00 0.00 C ATOM 1138 CD1 PHE A 70 7.249 4.800 -4.434 1.00 0.00 C ATOM 1139 CD2 PHE A 70 8.962 3.140 -4.527 1.00 0.00 C ATOM 1140 CE1 PHE A 70 6.647 4.242 -5.545 1.00 0.00 C ATOM 1141 CE2 PHE A 70 8.363 2.581 -5.639 1.00 0.00 C ATOM 1142 CZ PHE A 70 7.203 3.133 -6.149 1.00 0.00 C ATOM 0 H PHE A 70 11.583 5.715 -3.668 1.00 0.00 H new ATOM 0 HA PHE A 70 8.929 6.944 -3.277 1.00 0.00 H new ATOM 0 HB2 PHE A 70 9.843 4.185 -2.330 1.00 0.00 H new ATOM 0 HB3 PHE A 70 8.323 4.939 -1.893 1.00 0.00 H new ATOM 0 HD1 PHE A 70 6.808 5.669 -3.968 1.00 0.00 H new ATOM 0 HD2 PHE A 70 9.868 2.703 -4.133 1.00 0.00 H new ATOM 0 HE1 PHE A 70 5.740 4.674 -5.941 1.00 0.00 H new ATOM 0 HE2 PHE A 70 8.801 1.713 -6.110 1.00 0.00 H new ATOM 0 HZ PHE A 70 6.733 2.697 -7.018 1.00 0.00 H new ATOM 1152 N ILE A 71 11.383 6.275 -1.161 1.00 0.00 N ATOM 1153 CA ILE A 71 11.930 6.608 0.161 1.00 0.00 C ATOM 1154 C ILE A 71 12.520 8.016 0.181 1.00 0.00 C ATOM 1155 O ILE A 71 12.450 8.722 1.191 1.00 0.00 O ATOM 1156 CB ILE A 71 13.028 5.595 0.588 1.00 0.00 C ATOM 1157 CG1 ILE A 71 12.477 4.160 0.564 1.00 0.00 C ATOM 1158 CG2 ILE A 71 13.582 5.937 1.974 1.00 0.00 C ATOM 1159 CD1 ILE A 71 11.313 3.934 1.506 1.00 0.00 C ATOM 0 H ILE A 71 11.955 5.626 -1.702 1.00 0.00 H new ATOM 0 HA ILE A 71 11.100 6.558 0.866 1.00 0.00 H new ATOM 0 HB ILE A 71 13.847 5.663 -0.128 1.00 0.00 H new ATOM 0 HG12 ILE A 71 12.162 3.919 -0.451 1.00 0.00 H new ATOM 0 HG13 ILE A 71 13.280 3.469 0.821 1.00 0.00 H new ATOM 0 HG21 ILE A 71 14.349 5.212 2.248 1.00 0.00 H new ATOM 0 HG22 ILE A 71 14.017 6.936 1.955 1.00 0.00 H new ATOM 0 HG23 ILE A 71 12.775 5.906 2.706 1.00 0.00 H new ATOM 0 HD11 ILE A 71 10.980 2.899 1.432 1.00 0.00 H new ATOM 0 HD12 ILE A 71 11.627 4.142 2.529 1.00 0.00 H new ATOM 0 HD13 ILE A 71 10.492 4.599 1.236 1.00 0.00 H new ATOM 1171 N GLN A 72 13.091 8.409 -0.948 1.00 0.00 N ATOM 1172 CA GLN A 72 13.807 9.671 -1.070 1.00 0.00 C ATOM 1173 C GLN A 72 12.886 10.861 -0.801 1.00 0.00 C ATOM 1174 O GLN A 72 11.745 10.886 -1.263 1.00 0.00 O ATOM 1175 CB GLN A 72 14.419 9.783 -2.481 1.00 0.00 C ATOM 1176 CG GLN A 72 15.912 10.087 -2.496 1.00 0.00 C ATOM 1177 CD GLN A 72 16.264 11.368 -1.763 1.00 0.00 C ATOM 1178 OE1 GLN A 72 16.264 12.474 -2.481 1.00 0.00 O flip ATOM 1179 NE2 GLN A 72 16.532 11.362 -0.560 1.00 0.00 N flip ATOM 0 H GLN A 72 13.071 7.861 -1.808 1.00 0.00 H new ATOM 0 HA GLN A 72 14.601 9.689 -0.324 1.00 0.00 H new ATOM 0 HB2 GLN A 72 14.245 8.849 -3.015 1.00 0.00 H new ATOM 0 HB3 GLN A 72 13.895 10.566 -3.030 1.00 0.00 H new ATOM 0 HG2 GLN A 72 16.451 9.255 -2.042 1.00 0.00 H new ATOM 0 HG3 GLN A 72 16.252 10.161 -3.529 1.00 0.00 H new ATOM 0 HE21 GLN A 72 16.521 10.485 -0.039 1.00 0.00 H new ATOM 0 HE22 GLN A 72 16.765 12.234 -0.085 1.00 0.00 H new ATOM 1188 N THR A 73 13.389 11.841 -0.053 1.00 0.00 N ATOM 1189 CA THR A 73 12.654 13.079 0.186 1.00 0.00 C ATOM 1190 C THR A 73 12.503 13.850 -1.127 1.00 0.00 C ATOM 1191 O THR A 73 11.595 14.666 -1.291 1.00 0.00 O ATOM 1192 CB THR A 73 13.363 13.952 1.246 1.00 0.00 C ATOM 1193 OG1 THR A 73 13.655 13.157 2.404 1.00 0.00 O ATOM 1194 CG2 THR A 73 12.499 15.144 1.655 1.00 0.00 C ATOM 0 H THR A 73 14.303 11.801 0.398 1.00 0.00 H new ATOM 0 HA THR A 73 11.666 12.827 0.570 1.00 0.00 H new ATOM 0 HB THR A 73 14.286 14.333 0.809 1.00 0.00 H new ATOM 0 HG1 THR A 73 14.106 13.710 3.075 1.00 0.00 H new ATOM 0 HG21 THR A 73 13.027 15.737 2.402 1.00 0.00 H new ATOM 0 HG22 THR A 73 12.293 15.761 0.780 1.00 0.00 H new ATOM 0 HG23 THR A 73 11.559 14.785 2.075 1.00 0.00 H new ATOM 1202 N ASP A 74 13.416 13.585 -2.056 1.00 0.00 N ATOM 1203 CA ASP A 74 13.295 14.062 -3.429 1.00 0.00 C ATOM 1204 C ASP A 74 12.916 12.888 -4.325 1.00 0.00 C ATOM 1205 O ASP A 74 13.782 12.196 -4.862 1.00 0.00 O ATOM 1206 CB ASP A 74 14.607 14.704 -3.908 1.00 0.00 C ATOM 1207 CG ASP A 74 14.573 15.106 -5.379 1.00 0.00 C ATOM 1208 OD1 ASP A 74 14.023 16.180 -5.699 1.00 0.00 O ATOM 1209 OD2 ASP A 74 15.106 14.352 -6.224 1.00 0.00 O ATOM 0 H ASP A 74 14.257 13.036 -1.879 1.00 0.00 H new ATOM 0 HA ASP A 74 12.520 14.827 -3.476 1.00 0.00 H new ATOM 0 HB2 ASP A 74 14.816 15.585 -3.301 1.00 0.00 H new ATOM 0 HB3 ASP A 74 15.427 14.004 -3.747 1.00 0.00 H new ATOM 1214 N ALA A 75 11.618 12.629 -4.420 1.00 0.00 N ATOM 1215 CA ALA A 75 11.096 11.533 -5.229 1.00 0.00 C ATOM 1216 C ALA A 75 9.853 11.989 -5.993 1.00 0.00 C ATOM 1217 O ALA A 75 9.151 12.898 -5.544 1.00 0.00 O ATOM 1218 CB ALA A 75 10.779 10.332 -4.342 1.00 0.00 C ATOM 0 H ALA A 75 10.899 13.170 -3.940 1.00 0.00 H new ATOM 0 HA ALA A 75 11.852 11.233 -5.954 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.390 9.519 -4.955 1.00 0.00 H new ATOM 0 HB2 ALA A 75 11.687 10.003 -3.837 1.00 0.00 H new ATOM 0 HB3 ALA A 75 10.033 10.615 -3.599 1.00 0.00 H new ATOM 1224 N PRO A 76 9.574 11.370 -7.162 1.00 0.00 N ATOM 1225 CA PRO A 76 8.421 11.728 -8.008 1.00 0.00 C ATOM 1226 C PRO A 76 7.123 11.868 -7.214 1.00 0.00 C ATOM 1227 O PRO A 76 6.394 12.850 -7.362 1.00 0.00 O ATOM 1228 CB PRO A 76 8.334 10.550 -8.986 1.00 0.00 C ATOM 1229 CG PRO A 76 9.742 10.080 -9.119 1.00 0.00 C ATOM 1230 CD PRO A 76 10.376 10.283 -7.765 1.00 0.00 C ATOM 0 HA PRO A 76 8.552 12.698 -8.489 1.00 0.00 H new ATOM 0 HB2 PRO A 76 7.686 9.762 -8.603 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.925 10.860 -9.948 1.00 0.00 H new ATOM 0 HG2 PRO A 76 9.777 9.031 -9.413 1.00 0.00 H new ATOM 0 HG3 PRO A 76 10.271 10.645 -9.887 1.00 0.00 H new ATOM 0 HD2 PRO A 76 10.336 9.375 -7.164 1.00 0.00 H new ATOM 0 HD3 PRO A 76 11.426 10.561 -7.852 1.00 0.00 H new ATOM 1238 N LYS A 77 6.837 10.873 -6.379 1.00 0.00 N ATOM 1239 CA LYS A 77 5.641 10.891 -5.539 1.00 0.00 C ATOM 1240 C LYS A 77 6.006 10.923 -4.061 1.00 0.00 C ATOM 1241 O LYS A 77 5.340 11.597 -3.270 1.00 0.00 O ATOM 1242 CB LYS A 77 4.765 9.653 -5.795 1.00 0.00 C ATOM 1243 CG LYS A 77 4.037 9.645 -7.134 1.00 0.00 C ATOM 1244 CD LYS A 77 3.062 8.470 -7.218 1.00 0.00 C ATOM 1245 CE LYS A 77 2.198 8.528 -8.472 1.00 0.00 C ATOM 1246 NZ LYS A 77 1.184 7.442 -8.488 1.00 0.00 N ATOM 0 H LYS A 77 7.418 10.042 -6.265 1.00 0.00 H new ATOM 0 HA LYS A 77 5.088 11.793 -5.799 1.00 0.00 H new ATOM 0 HB2 LYS A 77 5.392 8.764 -5.734 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.027 9.577 -4.997 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.495 10.582 -7.264 1.00 0.00 H new ATOM 0 HG3 LYS A 77 4.761 9.580 -7.946 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.621 7.534 -7.207 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.421 8.468 -6.337 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.697 9.495 -8.525 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.832 8.448 -9.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.636 7.491 -9.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.662 6.520 -8.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.543 7.553 -7.677 1.00 0.00 H new ATOM 1260 N GLU A 78 7.078 10.207 -3.710 1.00 0.00 N ATOM 1261 CA GLU A 78 7.364 9.852 -2.320 1.00 0.00 C ATOM 1262 C GLU A 78 6.281 8.891 -1.825 1.00 0.00 C ATOM 1263 O GLU A 78 5.401 8.490 -2.592 1.00 0.00 O ATOM 1264 CB GLU A 78 7.441 11.090 -1.407 1.00 0.00 C ATOM 1265 CG GLU A 78 8.591 12.039 -1.725 1.00 0.00 C ATOM 1266 CD GLU A 78 8.597 13.263 -0.819 1.00 0.00 C ATOM 1267 OE1 GLU A 78 9.049 13.150 0.343 1.00 0.00 O ATOM 1268 OE2 GLU A 78 8.136 14.342 -1.259 1.00 0.00 O ATOM 0 H GLU A 78 7.767 9.860 -4.377 1.00 0.00 H new ATOM 0 HA GLU A 78 8.342 9.372 -2.281 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.502 11.639 -1.481 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.536 10.758 -0.373 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.537 11.508 -1.621 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.518 12.359 -2.764 1.00 0.00 H new ATOM 1275 N VAL A 79 6.357 8.505 -0.559 1.00 0.00 N ATOM 1276 CA VAL A 79 5.350 7.632 0.045 1.00 0.00 C ATOM 1277 C VAL A 79 5.120 8.017 1.500 1.00 0.00 C ATOM 1278 O VAL A 79 6.067 8.366 2.217 1.00 0.00 O ATOM 1279 CB VAL A 79 5.746 6.130 -0.031 1.00 0.00 C ATOM 1280 CG1 VAL A 79 4.782 5.264 0.783 1.00 0.00 C ATOM 1281 CG2 VAL A 79 5.783 5.655 -1.481 1.00 0.00 C ATOM 0 H VAL A 79 7.107 8.782 0.075 1.00 0.00 H new ATOM 0 HA VAL A 79 4.432 7.767 -0.528 1.00 0.00 H new ATOM 0 HB VAL A 79 6.743 6.027 0.397 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.083 4.219 0.712 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.804 5.578 1.827 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.771 5.378 0.391 1.00 0.00 H new ATOM 0 HG21 VAL A 79 6.062 4.602 -1.512 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.798 5.783 -1.931 1.00 0.00 H new ATOM 0 HG23 VAL A 79 6.515 6.241 -2.037 1.00 0.00 H new ATOM 1291 N ASN A 80 3.859 7.958 1.919 1.00 0.00 N ATOM 1292 CA ASN A 80 3.481 8.232 3.301 1.00 0.00 C ATOM 1293 C ASN A 80 4.089 7.182 4.228 1.00 0.00 C ATOM 1294 O ASN A 80 3.442 6.198 4.593 1.00 0.00 O ATOM 1295 CB ASN A 80 1.952 8.260 3.450 1.00 0.00 C ATOM 1296 CG ASN A 80 1.303 9.349 2.612 1.00 0.00 C ATOM 1297 OD1 ASN A 80 1.111 10.472 3.076 1.00 0.00 O ATOM 1298 ND2 ASN A 80 0.956 9.025 1.373 1.00 0.00 N ATOM 0 H ASN A 80 3.074 7.720 1.313 1.00 0.00 H new ATOM 0 HA ASN A 80 3.867 9.212 3.579 1.00 0.00 H new ATOM 0 HB2 ASN A 80 1.545 7.292 3.159 1.00 0.00 H new ATOM 0 HB3 ASN A 80 1.696 8.412 4.498 1.00 0.00 H new ATOM 0 HD21 ASN A 80 0.514 9.718 0.770 1.00 0.00 H new ATOM 0 HD22 ASN A 80 1.132 8.083 1.024 1.00 0.00 H new ATOM 1305 N LEU A 81 5.359 7.378 4.555 1.00 0.00 N ATOM 1306 CA LEU A 81 6.095 6.491 5.445 1.00 0.00 C ATOM 1307 C LEU A 81 6.740 7.303 6.564 1.00 0.00 C ATOM 1308 O LEU A 81 7.176 8.434 6.339 1.00 0.00 O ATOM 1309 CB LEU A 81 7.162 5.728 4.642 1.00 0.00 C ATOM 1310 CG LEU A 81 8.199 4.949 5.467 1.00 0.00 C ATOM 1311 CD1 LEU A 81 7.533 3.833 6.254 1.00 0.00 C ATOM 1312 CD2 LEU A 81 9.299 4.392 4.565 1.00 0.00 C ATOM 0 H LEU A 81 5.911 8.162 4.208 1.00 0.00 H new ATOM 0 HA LEU A 81 5.411 5.769 5.892 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.656 5.028 3.977 1.00 0.00 H new ATOM 0 HB3 LEU A 81 7.691 6.441 4.010 1.00 0.00 H new ATOM 0 HG LEU A 81 8.657 5.639 6.176 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.286 3.295 6.830 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.792 4.258 6.931 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.043 3.145 5.566 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.022 3.844 5.169 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.860 3.720 3.828 1.00 0.00 H new ATOM 0 HD23 LEU A 81 9.801 5.213 4.054 1.00 0.00 H new ATOM 1324 N ASP A 82 6.781 6.726 7.764 1.00 0.00 N ATOM 1325 CA ASP A 82 7.410 7.362 8.926 1.00 0.00 C ATOM 1326 C ASP A 82 8.821 7.850 8.593 1.00 0.00 C ATOM 1327 O ASP A 82 9.628 7.111 8.020 1.00 0.00 O ATOM 1328 CB ASP A 82 7.448 6.378 10.106 1.00 0.00 C ATOM 1329 CG ASP A 82 8.404 6.796 11.220 1.00 0.00 C ATOM 1330 OD1 ASP A 82 8.436 7.992 11.574 1.00 0.00 O ATOM 1331 OD2 ASP A 82 9.142 5.920 11.728 1.00 0.00 O ATOM 0 H ASP A 82 6.382 5.808 7.960 1.00 0.00 H new ATOM 0 HA ASP A 82 6.814 8.231 9.205 1.00 0.00 H new ATOM 0 HB2 ASP A 82 6.444 6.279 10.518 1.00 0.00 H new ATOM 0 HB3 ASP A 82 7.740 5.394 9.739 1.00 0.00 H new ATOM 1336 N PHE A 83 9.105 9.094 8.969 1.00 0.00 N ATOM 1337 CA PHE A 83 10.388 9.725 8.676 1.00 0.00 C ATOM 1338 C PHE A 83 11.529 8.978 9.355 1.00 0.00 C ATOM 1339 O PHE A 83 12.603 8.816 8.774 1.00 0.00 O ATOM 1340 CB PHE A 83 10.379 11.194 9.116 1.00 0.00 C ATOM 1341 CG PHE A 83 9.393 12.044 8.353 1.00 0.00 C ATOM 1342 CD1 PHE A 83 9.730 12.576 7.115 1.00 0.00 C ATOM 1343 CD2 PHE A 83 8.132 12.309 8.868 1.00 0.00 C ATOM 1344 CE1 PHE A 83 8.832 13.352 6.410 1.00 0.00 C ATOM 1345 CE2 PHE A 83 7.230 13.085 8.166 1.00 0.00 C ATOM 1346 CZ PHE A 83 7.580 13.608 6.937 1.00 0.00 C ATOM 0 H PHE A 83 8.456 9.690 9.483 1.00 0.00 H new ATOM 0 HA PHE A 83 10.545 9.684 7.598 1.00 0.00 H new ATOM 0 HB2 PHE A 83 10.145 11.245 10.179 1.00 0.00 H new ATOM 0 HB3 PHE A 83 11.379 11.609 8.990 1.00 0.00 H new ATOM 0 HD1 PHE A 83 10.707 12.380 6.699 1.00 0.00 H new ATOM 0 HD2 PHE A 83 7.852 11.904 9.829 1.00 0.00 H new ATOM 0 HE1 PHE A 83 9.107 13.759 5.448 1.00 0.00 H new ATOM 0 HE2 PHE A 83 6.252 13.282 8.578 1.00 0.00 H new ATOM 0 HZ PHE A 83 6.876 14.216 6.388 1.00 0.00 H new ATOM 1356 N HIS A 84 11.288 8.505 10.576 1.00 0.00 N ATOM 1357 CA HIS A 84 12.300 7.754 11.315 1.00 0.00 C ATOM 1358 C HIS A 84 12.596 6.437 10.606 1.00 0.00 C ATOM 1359 O HIS A 84 13.742 5.987 10.564 1.00 0.00 O ATOM 1360 CB HIS A 84 11.854 7.504 12.763 1.00 0.00 C ATOM 1361 CG HIS A 84 12.820 6.667 13.555 1.00 0.00 C ATOM 1362 ND1 HIS A 84 14.061 7.121 13.949 1.00 0.00 N ATOM 1363 CD2 HIS A 84 12.726 5.396 14.013 1.00 0.00 C ATOM 1364 CE1 HIS A 84 14.687 6.167 14.611 1.00 0.00 C ATOM 1365 NE2 HIS A 84 13.899 5.110 14.667 1.00 0.00 N ATOM 0 H HIS A 84 10.405 8.628 11.072 1.00 0.00 H new ATOM 0 HA HIS A 84 13.214 8.347 11.347 1.00 0.00 H new ATOM 0 HB2 HIS A 84 11.722 8.463 13.264 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.882 7.012 12.755 1.00 0.00 H new ATOM 0 HD2 HIS A 84 11.885 4.731 13.887 1.00 0.00 H new ATOM 0 HE1 HIS A 84 15.677 6.239 15.036 1.00 0.00 H new ATOM 0 HE2 HIS A 84 14.124 4.225 15.122 1.00 0.00 H new ATOM 1374 N THR A 85 11.558 5.830 10.038 1.00 0.00 N ATOM 1375 CA THR A 85 11.721 4.612 9.255 1.00 0.00 C ATOM 1376 C THR A 85 12.521 4.907 7.981 1.00 0.00 C ATOM 1377 O THR A 85 13.397 4.129 7.594 1.00 0.00 O ATOM 1378 CB THR A 85 10.355 3.988 8.882 1.00 0.00 C ATOM 1379 OG1 THR A 85 9.575 3.767 10.067 1.00 0.00 O ATOM 1380 CG2 THR A 85 10.538 2.664 8.145 1.00 0.00 C ATOM 0 H THR A 85 10.596 6.162 10.106 1.00 0.00 H new ATOM 0 HA THR A 85 12.264 3.894 9.869 1.00 0.00 H new ATOM 0 HB THR A 85 9.837 4.685 8.224 1.00 0.00 H new ATOM 0 HG1 THR A 85 9.497 4.605 10.568 1.00 0.00 H new ATOM 0 HG21 THR A 85 9.562 2.249 7.895 1.00 0.00 H new ATOM 0 HG22 THR A 85 11.105 2.832 7.230 1.00 0.00 H new ATOM 0 HG23 THR A 85 11.078 1.964 8.783 1.00 0.00 H new ATOM 1388 N LYS A 86 12.224 6.042 7.341 1.00 0.00 N ATOM 1389 CA LYS A 86 12.976 6.478 6.162 1.00 0.00 C ATOM 1390 C LYS A 86 14.442 6.691 6.531 1.00 0.00 C ATOM 1391 O LYS A 86 15.339 6.313 5.782 1.00 0.00 O ATOM 1392 CB LYS A 86 12.395 7.777 5.571 1.00 0.00 C ATOM 1393 CG LYS A 86 10.998 7.632 4.973 1.00 0.00 C ATOM 1394 CD LYS A 86 10.560 8.909 4.252 1.00 0.00 C ATOM 1395 CE LYS A 86 9.186 8.762 3.606 1.00 0.00 C ATOM 1396 NZ LYS A 86 8.818 9.960 2.802 1.00 0.00 N ATOM 0 H LYS A 86 11.472 6.672 7.618 1.00 0.00 H new ATOM 0 HA LYS A 86 12.896 5.697 5.406 1.00 0.00 H new ATOM 0 HB2 LYS A 86 12.364 8.535 6.354 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.071 8.144 4.798 1.00 0.00 H new ATOM 0 HG2 LYS A 86 10.986 6.796 4.274 1.00 0.00 H new ATOM 0 HG3 LYS A 86 10.285 7.397 5.764 1.00 0.00 H new ATOM 0 HD2 LYS A 86 10.540 9.736 4.961 1.00 0.00 H new ATOM 0 HD3 LYS A 86 11.294 9.163 3.487 1.00 0.00 H new ATOM 0 HE2 LYS A 86 9.178 7.879 2.966 1.00 0.00 H new ATOM 0 HE3 LYS A 86 8.436 8.601 4.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 7.857 9.841 2.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 8.850 10.806 3.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 9.490 10.070 2.016 1.00 0.00 H new ATOM 1410 N GLU A 87 14.660 7.288 7.700 1.00 0.00 N ATOM 1411 CA GLU A 87 16.001 7.549 8.219 1.00 0.00 C ATOM 1412 C GLU A 87 16.797 6.248 8.336 1.00 0.00 C ATOM 1413 O GLU A 87 17.973 6.180 7.962 1.00 0.00 O ATOM 1414 CB GLU A 87 15.892 8.238 9.584 1.00 0.00 C ATOM 1415 CG GLU A 87 17.228 8.548 10.248 1.00 0.00 C ATOM 1416 CD GLU A 87 17.054 9.230 11.595 1.00 0.00 C ATOM 1417 OE1 GLU A 87 16.946 8.522 12.618 1.00 0.00 O ATOM 1418 OE2 GLU A 87 17.007 10.477 11.634 1.00 0.00 O ATOM 0 H GLU A 87 13.911 7.605 8.315 1.00 0.00 H new ATOM 0 HA GLU A 87 16.530 8.204 7.527 1.00 0.00 H new ATOM 0 HB2 GLU A 87 15.337 9.168 9.463 1.00 0.00 H new ATOM 0 HB3 GLU A 87 15.309 7.603 10.251 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.789 7.623 10.381 1.00 0.00 H new ATOM 0 HG3 GLU A 87 17.818 9.188 9.592 1.00 0.00 H new ATOM 1425 N VAL A 88 16.144 5.214 8.856 1.00 0.00 N ATOM 1426 CA VAL A 88 16.754 3.892 8.951 1.00 0.00 C ATOM 1427 C VAL A 88 17.198 3.418 7.569 1.00 0.00 C ATOM 1428 O VAL A 88 18.316 2.930 7.391 1.00 0.00 O ATOM 1429 CB VAL A 88 15.768 2.860 9.561 1.00 0.00 C ATOM 1430 CG1 VAL A 88 16.379 1.458 9.579 1.00 0.00 C ATOM 1431 CG2 VAL A 88 15.342 3.283 10.965 1.00 0.00 C ATOM 0 H VAL A 88 15.192 5.266 9.218 1.00 0.00 H new ATOM 0 HA VAL A 88 17.621 3.971 9.607 1.00 0.00 H new ATOM 0 HB VAL A 88 14.880 2.830 8.929 1.00 0.00 H new ATOM 0 HG11 VAL A 88 15.666 0.756 10.012 1.00 0.00 H new ATOM 0 HG12 VAL A 88 16.617 1.152 8.560 1.00 0.00 H new ATOM 0 HG13 VAL A 88 17.290 1.466 10.178 1.00 0.00 H new ATOM 0 HG21 VAL A 88 14.651 2.545 11.373 1.00 0.00 H new ATOM 0 HG22 VAL A 88 16.220 3.352 11.607 1.00 0.00 H new ATOM 0 HG23 VAL A 88 14.850 4.254 10.919 1.00 0.00 H new ATOM 1441 N ILE A 89 16.325 3.606 6.588 1.00 0.00 N ATOM 1442 CA ILE A 89 16.580 3.153 5.226 1.00 0.00 C ATOM 1443 C ILE A 89 17.680 3.985 4.559 1.00 0.00 C ATOM 1444 O ILE A 89 18.517 3.444 3.837 1.00 0.00 O ATOM 1445 CB ILE A 89 15.285 3.206 4.374 1.00 0.00 C ATOM 1446 CG1 ILE A 89 14.188 2.345 5.029 1.00 0.00 C ATOM 1447 CG2 ILE A 89 15.555 2.740 2.941 1.00 0.00 C ATOM 1448 CD1 ILE A 89 12.843 2.421 4.334 1.00 0.00 C ATOM 0 H ILE A 89 15.427 4.073 6.712 1.00 0.00 H new ATOM 0 HA ILE A 89 16.920 2.119 5.285 1.00 0.00 H new ATOM 0 HB ILE A 89 14.940 4.239 4.330 1.00 0.00 H new ATOM 0 HG12 ILE A 89 14.518 1.306 5.045 1.00 0.00 H new ATOM 0 HG13 ILE A 89 14.067 2.657 6.066 1.00 0.00 H new ATOM 0 HG21 ILE A 89 14.632 2.786 2.363 1.00 0.00 H new ATOM 0 HG22 ILE A 89 16.303 3.387 2.483 1.00 0.00 H new ATOM 0 HG23 ILE A 89 15.923 1.714 2.955 1.00 0.00 H new ATOM 0 HD11 ILE A 89 12.127 1.787 4.857 1.00 0.00 H new ATOM 0 HD12 ILE A 89 12.488 3.451 4.341 1.00 0.00 H new ATOM 0 HD13 ILE A 89 12.946 2.079 3.304 1.00 0.00 H new ATOM 1460 N THR A 90 17.696 5.292 4.821 1.00 0.00 N ATOM 1461 CA THR A 90 18.673 6.185 4.204 1.00 0.00 C ATOM 1462 C THR A 90 20.093 5.847 4.662 1.00 0.00 C ATOM 1463 O THR A 90 21.065 6.106 3.945 1.00 0.00 O ATOM 1464 CB THR A 90 18.363 7.674 4.504 1.00 0.00 C ATOM 1465 OG1 THR A 90 18.256 7.880 5.916 1.00 0.00 O ATOM 1466 CG2 THR A 90 17.069 8.119 3.828 1.00 0.00 C ATOM 0 H THR A 90 17.044 5.754 5.455 1.00 0.00 H new ATOM 0 HA THR A 90 18.603 6.034 3.127 1.00 0.00 H new ATOM 0 HB THR A 90 19.184 8.270 4.106 1.00 0.00 H new ATOM 0 HG1 THR A 90 18.274 7.014 6.375 1.00 0.00 H new ATOM 0 HG21 THR A 90 16.880 9.168 4.058 1.00 0.00 H new ATOM 0 HG22 THR A 90 17.161 7.995 2.749 1.00 0.00 H new ATOM 0 HG23 THR A 90 16.240 7.512 4.193 1.00 0.00 H new ATOM 1474 N ASN A 91 20.208 5.267 5.855 1.00 0.00 N ATOM 1475 CA ASN A 91 21.502 4.813 6.365 1.00 0.00 C ATOM 1476 C ASN A 91 21.814 3.397 5.878 1.00 0.00 C ATOM 1477 O ASN A 91 22.920 3.120 5.410 1.00 0.00 O ATOM 1478 CB ASN A 91 21.541 4.855 7.903 1.00 0.00 C ATOM 1479 CG ASN A 91 21.664 6.267 8.463 1.00 0.00 C ATOM 1480 OD1 ASN A 91 22.768 6.795 8.611 1.00 0.00 O ATOM 1481 ND2 ASN A 91 20.537 6.882 8.790 1.00 0.00 N ATOM 0 H ASN A 91 19.424 5.100 6.486 1.00 0.00 H new ATOM 0 HA ASN A 91 22.261 5.494 5.980 1.00 0.00 H new ATOM 0 HB2 ASN A 91 20.635 4.393 8.296 1.00 0.00 H new ATOM 0 HB3 ASN A 91 22.382 4.257 8.255 1.00 0.00 H new ATOM 0 HD21 ASN A 91 20.565 7.825 9.179 1.00 0.00 H new ATOM 0 HD22 ASN A 91 19.642 6.413 8.653 1.00 0.00 H new ATOM 1488 N SER A 92 20.828 2.509 5.975 1.00 0.00 N ATOM 1489 CA SER A 92 21.028 1.088 5.673 1.00 0.00 C ATOM 1490 C SER A 92 20.953 0.788 4.169 1.00 0.00 C ATOM 1491 O SER A 92 21.181 -0.348 3.750 1.00 0.00 O ATOM 1492 CB SER A 92 19.990 0.256 6.434 1.00 0.00 C ATOM 1493 OG SER A 92 20.037 0.540 7.824 1.00 0.00 O ATOM 0 H SER A 92 19.878 2.746 6.261 1.00 0.00 H new ATOM 0 HA SER A 92 22.034 0.819 5.996 1.00 0.00 H new ATOM 0 HB2 SER A 92 18.993 0.469 6.048 1.00 0.00 H new ATOM 0 HB3 SER A 92 20.176 -0.805 6.269 1.00 0.00 H new ATOM 0 HG SER A 92 19.528 1.357 8.008 1.00 0.00 H new ATOM 1499 N ILE A 93 20.650 1.808 3.362 1.00 0.00 N ATOM 1500 CA ILE A 93 20.546 1.648 1.904 1.00 0.00 C ATOM 1501 C ILE A 93 21.841 1.075 1.311 1.00 0.00 C ATOM 1502 O ILE A 93 21.834 0.472 0.236 1.00 0.00 O ATOM 1503 CB ILE A 93 20.209 3.000 1.210 1.00 0.00 C ATOM 1504 CG1 ILE A 93 19.982 2.815 -0.305 1.00 0.00 C ATOM 1505 CG2 ILE A 93 21.309 4.030 1.466 1.00 0.00 C ATOM 1506 CD1 ILE A 93 18.887 1.821 -0.646 1.00 0.00 C ATOM 0 H ILE A 93 20.472 2.757 3.692 1.00 0.00 H new ATOM 0 HA ILE A 93 19.734 0.945 1.718 1.00 0.00 H new ATOM 0 HB ILE A 93 19.280 3.370 1.644 1.00 0.00 H new ATOM 0 HG12 ILE A 93 19.733 3.780 -0.746 1.00 0.00 H new ATOM 0 HG13 ILE A 93 20.914 2.486 -0.765 1.00 0.00 H new ATOM 0 HG21 ILE A 93 21.052 4.967 0.972 1.00 0.00 H new ATOM 0 HG22 ILE A 93 21.406 4.200 2.538 1.00 0.00 H new ATOM 0 HG23 ILE A 93 22.254 3.658 1.071 1.00 0.00 H new ATOM 0 HD11 ILE A 93 18.788 1.746 -1.729 1.00 0.00 H new ATOM 0 HD12 ILE A 93 19.143 0.844 -0.237 1.00 0.00 H new ATOM 0 HD13 ILE A 93 17.943 2.158 -0.218 1.00 0.00 H new ATOM 1518 N THR A 94 22.945 1.259 2.030 1.00 0.00 N ATOM 1519 CA THR A 94 24.248 0.787 1.582 1.00 0.00 C ATOM 1520 C THR A 94 24.287 -0.743 1.487 1.00 0.00 C ATOM 1521 O THR A 94 24.954 -1.301 0.612 1.00 0.00 O ATOM 1522 CB THR A 94 25.373 1.289 2.522 1.00 0.00 C ATOM 1523 OG1 THR A 94 26.659 0.915 2.006 1.00 0.00 O ATOM 1524 CG2 THR A 94 25.209 0.738 3.937 1.00 0.00 C ATOM 0 H THR A 94 22.960 1.736 2.932 1.00 0.00 H new ATOM 0 HA THR A 94 24.415 1.196 0.586 1.00 0.00 H new ATOM 0 HB THR A 94 25.301 2.376 2.568 1.00 0.00 H new ATOM 0 HG1 THR A 94 27.360 1.240 2.609 1.00 0.00 H new ATOM 0 HG21 THR A 94 26.015 1.111 4.568 1.00 0.00 H new ATOM 0 HG22 THR A 94 24.251 1.060 4.344 1.00 0.00 H new ATOM 0 HG23 THR A 94 25.244 -0.351 3.910 1.00 0.00 H new ATOM 1532 N GLN A 95 23.561 -1.418 2.382 1.00 0.00 N ATOM 1533 CA GLN A 95 23.529 -2.883 2.418 1.00 0.00 C ATOM 1534 C GLN A 95 22.110 -3.375 2.717 1.00 0.00 C ATOM 1535 O GLN A 95 21.803 -3.767 3.846 1.00 0.00 O ATOM 1536 CB GLN A 95 24.514 -3.431 3.470 1.00 0.00 C ATOM 1537 CG GLN A 95 25.978 -3.071 3.219 1.00 0.00 C ATOM 1538 CD GLN A 95 26.572 -3.746 1.988 1.00 0.00 C ATOM 1539 OE1 GLN A 95 25.872 -4.056 1.025 1.00 0.00 O ATOM 1540 NE2 GLN A 95 27.878 -3.969 2.011 1.00 0.00 N ATOM 0 H GLN A 95 22.985 -0.971 3.095 1.00 0.00 H new ATOM 0 HA GLN A 95 23.834 -3.253 1.439 1.00 0.00 H new ATOM 0 HB2 GLN A 95 24.224 -3.055 4.451 1.00 0.00 H new ATOM 0 HB3 GLN A 95 24.421 -4.516 3.505 1.00 0.00 H new ATOM 0 HG2 GLN A 95 26.063 -1.990 3.107 1.00 0.00 H new ATOM 0 HG3 GLN A 95 26.566 -3.348 4.094 1.00 0.00 H new ATOM 0 HE21 GLN A 95 28.427 -3.699 2.827 1.00 0.00 H new ATOM 0 HE22 GLN A 95 28.334 -4.411 1.213 1.00 0.00 H new ATOM 1549 N PRO A 96 21.215 -3.337 1.716 1.00 0.00 N ATOM 1550 CA PRO A 96 19.830 -3.785 1.880 1.00 0.00 C ATOM 1551 C PRO A 96 19.714 -5.312 1.872 1.00 0.00 C ATOM 1552 O PRO A 96 20.364 -5.991 1.076 1.00 0.00 O ATOM 1553 CB PRO A 96 19.124 -3.176 0.666 1.00 0.00 C ATOM 1554 CG PRO A 96 20.184 -3.099 -0.381 1.00 0.00 C ATOM 1555 CD PRO A 96 21.481 -2.846 0.347 1.00 0.00 C ATOM 0 HA PRO A 96 19.402 -3.477 2.834 1.00 0.00 H new ATOM 0 HB2 PRO A 96 18.288 -3.796 0.340 1.00 0.00 H new ATOM 0 HB3 PRO A 96 18.720 -2.190 0.895 1.00 0.00 H new ATOM 0 HG2 PRO A 96 20.234 -4.026 -0.953 1.00 0.00 H new ATOM 0 HG3 PRO A 96 19.973 -2.298 -1.090 1.00 0.00 H new ATOM 0 HD2 PRO A 96 22.311 -3.380 -0.116 1.00 0.00 H new ATOM 0 HD3 PRO A 96 21.742 -1.788 0.345 1.00 0.00 H new ATOM 1563 N THR A 97 18.884 -5.837 2.769 1.00 0.00 N ATOM 1564 CA THR A 97 18.680 -7.275 2.899 1.00 0.00 C ATOM 1565 C THR A 97 17.314 -7.678 2.318 1.00 0.00 C ATOM 1566 O THR A 97 16.448 -6.817 2.150 1.00 0.00 O ATOM 1567 CB THR A 97 18.765 -7.688 4.389 1.00 0.00 C ATOM 1568 OG1 THR A 97 19.881 -7.025 5.005 1.00 0.00 O ATOM 1569 CG2 THR A 97 18.927 -9.198 4.548 1.00 0.00 C ATOM 0 H THR A 97 18.336 -5.279 3.424 1.00 0.00 H new ATOM 0 HA THR A 97 19.461 -7.791 2.341 1.00 0.00 H new ATOM 0 HB THR A 97 17.833 -7.395 4.872 1.00 0.00 H new ATOM 0 HG1 THR A 97 19.935 -7.284 5.949 1.00 0.00 H new ATOM 0 HG21 THR A 97 18.983 -9.448 5.607 1.00 0.00 H new ATOM 0 HG22 THR A 97 18.072 -9.705 4.100 1.00 0.00 H new ATOM 0 HG23 THR A 97 19.842 -9.520 4.050 1.00 0.00 H new ATOM 1577 N LEU A 98 17.150 -8.988 2.045 1.00 0.00 N ATOM 1578 CA LEU A 98 15.931 -9.588 1.441 1.00 0.00 C ATOM 1579 C LEU A 98 14.707 -8.681 1.484 1.00 0.00 C ATOM 1580 O LEU A 98 14.102 -8.365 0.462 1.00 0.00 O ATOM 1581 CB LEU A 98 15.534 -10.885 2.179 1.00 0.00 C ATOM 1582 CG LEU A 98 16.356 -12.151 1.899 1.00 0.00 C ATOM 1583 CD1 LEU A 98 16.400 -12.458 0.404 1.00 0.00 C ATOM 1584 CD2 LEU A 98 17.764 -12.050 2.480 1.00 0.00 C ATOM 0 H LEU A 98 17.875 -9.679 2.241 1.00 0.00 H new ATOM 0 HA LEU A 98 16.205 -9.769 0.402 1.00 0.00 H new ATOM 0 HB2 LEU A 98 15.579 -10.687 3.250 1.00 0.00 H new ATOM 0 HB3 LEU A 98 14.493 -11.102 1.938 1.00 0.00 H new ATOM 0 HG LEU A 98 15.856 -12.980 2.399 1.00 0.00 H new ATOM 0 HD11 LEU A 98 16.989 -13.360 0.235 1.00 0.00 H new ATOM 0 HD12 LEU A 98 15.386 -12.612 0.034 1.00 0.00 H new ATOM 0 HD13 LEU A 98 16.856 -11.622 -0.126 1.00 0.00 H new ATOM 0 HD21 LEU A 98 18.314 -12.965 2.261 1.00 0.00 H new ATOM 0 HD22 LEU A 98 18.281 -11.200 2.035 1.00 0.00 H new ATOM 0 HD23 LEU A 98 17.703 -11.913 3.560 1.00 0.00 H new ATOM 1596 N HIS A 99 14.349 -8.288 2.693 1.00 0.00 N ATOM 1597 CA HIS A 99 13.040 -7.733 2.972 1.00 0.00 C ATOM 1598 C HIS A 99 13.156 -6.670 4.067 1.00 0.00 C ATOM 1599 O HIS A 99 12.252 -6.477 4.878 1.00 0.00 O ATOM 1600 CB HIS A 99 12.139 -8.913 3.374 1.00 0.00 C ATOM 1601 CG HIS A 99 10.765 -8.569 3.843 1.00 0.00 C ATOM 1602 ND1 HIS A 99 10.149 -8.890 4.993 1.00 0.00 N flip ATOM 1603 CD2 HIS A 99 9.854 -7.843 3.103 1.00 0.00 C flip ATOM 1604 CE1 HIS A 99 8.886 -8.360 4.943 1.00 0.00 C flip ATOM 1605 NE2 HIS A 99 8.731 -7.733 3.790 1.00 0.00 N flip ATOM 0 H HIS A 99 14.959 -8.345 3.509 1.00 0.00 H new ATOM 0 HA HIS A 99 12.606 -7.231 2.107 1.00 0.00 H new ATOM 0 HB2 HIS A 99 12.050 -9.582 2.518 1.00 0.00 H new ATOM 0 HB3 HIS A 99 12.640 -9.472 4.165 1.00 0.00 H new ATOM 0 HD2 HIS A 99 10.031 -7.431 2.120 1.00 0.00 H new ATOM 0 HE1 HIS A 99 8.139 -8.441 5.719 1.00 0.00 H new ATOM 0 HE2 HIS A 99 7.888 -7.247 3.483 1.00 0.00 H new ATOM 1614 N SER A 100 14.270 -5.939 4.026 1.00 0.00 N ATOM 1615 CA SER A 100 14.599 -4.936 5.042 1.00 0.00 C ATOM 1616 C SER A 100 13.547 -3.817 5.111 1.00 0.00 C ATOM 1617 O SER A 100 13.560 -3.001 6.034 1.00 0.00 O ATOM 1618 CB SER A 100 15.988 -4.341 4.755 1.00 0.00 C ATOM 1619 OG SER A 100 16.403 -3.464 5.792 1.00 0.00 O ATOM 0 H SER A 100 14.970 -6.024 3.289 1.00 0.00 H new ATOM 0 HA SER A 100 14.606 -5.435 6.011 1.00 0.00 H new ATOM 0 HB2 SER A 100 16.714 -5.146 4.646 1.00 0.00 H new ATOM 0 HB3 SER A 100 15.965 -3.802 3.808 1.00 0.00 H new ATOM 0 HG SER A 100 15.619 -3.026 6.184 1.00 0.00 H new ATOM 1625 N PHE A 101 12.645 -3.779 4.131 1.00 0.00 N ATOM 1626 CA PHE A 101 11.571 -2.785 4.104 1.00 0.00 C ATOM 1627 C PHE A 101 10.348 -3.269 4.888 1.00 0.00 C ATOM 1628 O PHE A 101 9.268 -2.696 4.770 1.00 0.00 O ATOM 1629 CB PHE A 101 11.171 -2.468 2.654 1.00 0.00 C ATOM 1630 CG PHE A 101 12.211 -1.688 1.884 1.00 0.00 C ATOM 1631 CD1 PHE A 101 13.257 -2.336 1.243 1.00 0.00 C ATOM 1632 CD2 PHE A 101 12.139 -0.304 1.800 1.00 0.00 C ATOM 1633 CE1 PHE A 101 14.208 -1.622 0.536 1.00 0.00 C ATOM 1634 CE2 PHE A 101 13.086 0.413 1.092 1.00 0.00 C ATOM 1635 CZ PHE A 101 14.121 -0.246 0.459 1.00 0.00 C ATOM 0 H PHE A 101 12.636 -4.427 3.343 1.00 0.00 H new ATOM 0 HA PHE A 101 11.945 -1.878 4.579 1.00 0.00 H new ATOM 0 HB2 PHE A 101 10.972 -3.403 2.130 1.00 0.00 H new ATOM 0 HB3 PHE A 101 10.239 -1.902 2.661 1.00 0.00 H new ATOM 0 HD1 PHE A 101 13.330 -3.412 1.297 1.00 0.00 H new ATOM 0 HD2 PHE A 101 11.333 0.219 2.294 1.00 0.00 H new ATOM 0 HE1 PHE A 101 15.018 -2.141 0.045 1.00 0.00 H new ATOM 0 HE2 PHE A 101 13.016 1.489 1.034 1.00 0.00 H new ATOM 0 HZ PHE A 101 14.861 0.313 -0.095 1.00 0.00 H new ATOM 1645 N ASP A 102 10.528 -4.313 5.697 1.00 0.00 N ATOM 1646 CA ASP A 102 9.434 -4.880 6.490 1.00 0.00 C ATOM 1647 C ASP A 102 8.840 -3.827 7.428 1.00 0.00 C ATOM 1648 O ASP A 102 7.620 -3.695 7.537 1.00 0.00 O ATOM 1649 CB ASP A 102 9.917 -6.100 7.294 1.00 0.00 C ATOM 1650 CG ASP A 102 10.968 -5.752 8.341 1.00 0.00 C ATOM 1651 OD1 ASP A 102 12.081 -5.338 7.960 1.00 0.00 O ATOM 1652 OD2 ASP A 102 10.691 -5.905 9.549 1.00 0.00 O ATOM 0 H ASP A 102 11.423 -4.785 5.822 1.00 0.00 H new ATOM 0 HA ASP A 102 8.655 -5.207 5.801 1.00 0.00 H new ATOM 0 HB2 ASP A 102 9.062 -6.564 7.787 1.00 0.00 H new ATOM 0 HB3 ASP A 102 10.329 -6.840 6.607 1.00 0.00 H new ATOM 1657 N ALA A 103 9.713 -3.069 8.089 1.00 0.00 N ATOM 1658 CA ALA A 103 9.281 -1.994 8.984 1.00 0.00 C ATOM 1659 C ALA A 103 8.484 -0.947 8.211 1.00 0.00 C ATOM 1660 O ALA A 103 7.449 -0.461 8.674 1.00 0.00 O ATOM 1661 CB ALA A 103 10.488 -1.353 9.664 1.00 0.00 C ATOM 0 H ALA A 103 10.725 -3.179 8.022 1.00 0.00 H new ATOM 0 HA ALA A 103 8.636 -2.419 9.753 1.00 0.00 H new ATOM 0 HB1 ALA A 103 10.151 -0.555 10.326 1.00 0.00 H new ATOM 0 HB2 ALA A 103 11.021 -2.106 10.244 1.00 0.00 H new ATOM 0 HB3 ALA A 103 11.155 -0.939 8.907 1.00 0.00 H new ATOM 1667 N ALA A 104 8.972 -0.624 7.018 1.00 0.00 N ATOM 1668 CA ALA A 104 8.327 0.357 6.154 1.00 0.00 C ATOM 1669 C ALA A 104 6.961 -0.145 5.697 1.00 0.00 C ATOM 1670 O ALA A 104 5.994 0.617 5.631 1.00 0.00 O ATOM 1671 CB ALA A 104 9.218 0.665 4.956 1.00 0.00 C ATOM 0 H ALA A 104 9.820 -1.032 6.625 1.00 0.00 H new ATOM 0 HA ALA A 104 8.176 1.276 6.720 1.00 0.00 H new ATOM 0 HB1 ALA A 104 8.727 1.399 4.317 1.00 0.00 H new ATOM 0 HB2 ALA A 104 10.170 1.066 5.304 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.395 -0.249 4.389 1.00 0.00 H new ATOM 1677 N GLN A 105 6.898 -1.438 5.401 1.00 0.00 N ATOM 1678 CA GLN A 105 5.666 -2.087 4.971 1.00 0.00 C ATOM 1679 C GLN A 105 4.599 -1.965 6.056 1.00 0.00 C ATOM 1680 O GLN A 105 3.443 -1.647 5.773 1.00 0.00 O ATOM 1681 CB GLN A 105 5.950 -3.562 4.647 1.00 0.00 C ATOM 1682 CG GLN A 105 4.725 -4.362 4.216 1.00 0.00 C ATOM 1683 CD GLN A 105 5.072 -5.787 3.812 1.00 0.00 C ATOM 1684 OE1 GLN A 105 6.164 -6.055 3.312 1.00 0.00 O ATOM 1685 NE2 GLN A 105 4.154 -6.710 4.045 1.00 0.00 N ATOM 0 H GLN A 105 7.700 -2.066 5.452 1.00 0.00 H new ATOM 0 HA GLN A 105 5.292 -1.596 4.073 1.00 0.00 H new ATOM 0 HB2 GLN A 105 6.697 -3.610 3.854 1.00 0.00 H new ATOM 0 HB3 GLN A 105 6.387 -4.036 5.526 1.00 0.00 H new ATOM 0 HG2 GLN A 105 4.004 -4.385 5.033 1.00 0.00 H new ATOM 0 HG3 GLN A 105 4.242 -3.858 3.379 1.00 0.00 H new ATOM 0 HE21 GLN A 105 3.261 -6.447 4.461 1.00 0.00 H new ATOM 0 HE22 GLN A 105 4.339 -7.685 3.809 1.00 0.00 H new ATOM 1694 N SER A 106 5.009 -2.205 7.299 1.00 0.00 N ATOM 1695 CA SER A 106 4.117 -2.091 8.449 1.00 0.00 C ATOM 1696 C SER A 106 3.549 -0.672 8.543 1.00 0.00 C ATOM 1697 O SER A 106 2.331 -0.482 8.611 1.00 0.00 O ATOM 1698 CB SER A 106 4.873 -2.453 9.737 1.00 0.00 C ATOM 1699 OG SER A 106 4.024 -2.405 10.872 1.00 0.00 O ATOM 0 H SER A 106 5.962 -2.482 7.536 1.00 0.00 H new ATOM 0 HA SER A 106 3.287 -2.786 8.322 1.00 0.00 H new ATOM 0 HB2 SER A 106 5.298 -3.452 9.642 1.00 0.00 H new ATOM 0 HB3 SER A 106 5.706 -1.764 9.876 1.00 0.00 H new ATOM 0 HG SER A 106 4.536 -2.642 11.674 1.00 0.00 H new ATOM 1705 N ARG A 107 4.447 0.315 8.519 1.00 0.00 N ATOM 1706 CA ARG A 107 4.066 1.726 8.609 1.00 0.00 C ATOM 1707 C ARG A 107 3.040 2.090 7.536 1.00 0.00 C ATOM 1708 O ARG A 107 1.915 2.478 7.840 1.00 0.00 O ATOM 1709 CB ARG A 107 5.299 2.625 8.445 1.00 0.00 C ATOM 1710 CG ARG A 107 6.323 2.534 9.571 1.00 0.00 C ATOM 1711 CD ARG A 107 5.763 3.032 10.899 1.00 0.00 C ATOM 1712 NE ARG A 107 6.806 3.617 11.747 1.00 0.00 N ATOM 1713 CZ ARG A 107 6.681 3.826 13.058 1.00 0.00 C ATOM 1714 NH1 ARG A 107 5.615 3.379 13.711 1.00 0.00 N ATOM 1715 NH2 ARG A 107 7.633 4.470 13.720 1.00 0.00 N ATOM 0 H ARG A 107 5.452 0.161 8.437 1.00 0.00 H new ATOM 0 HA ARG A 107 3.623 1.884 9.592 1.00 0.00 H new ATOM 0 HB2 ARG A 107 5.791 2.371 7.506 1.00 0.00 H new ATOM 0 HB3 ARG A 107 4.966 3.659 8.361 1.00 0.00 H new ATOM 0 HG2 ARG A 107 6.649 1.500 9.681 1.00 0.00 H new ATOM 0 HG3 ARG A 107 7.204 3.120 9.307 1.00 0.00 H new ATOM 0 HD2 ARG A 107 4.989 3.776 10.710 1.00 0.00 H new ATOM 0 HD3 ARG A 107 5.288 2.204 11.426 1.00 0.00 H new ATOM 0 HE ARG A 107 7.686 3.882 11.305 1.00 0.00 H new ATOM 0 HH11 ARG A 107 4.885 2.872 13.210 1.00 0.00 H new ATOM 0 HH12 ARG A 107 5.526 3.542 14.714 1.00 0.00 H new ATOM 0 HH21 ARG A 107 8.460 4.805 13.226 1.00 0.00 H new ATOM 0 HH22 ARG A 107 7.538 4.630 14.723 1.00 0.00 H new ATOM 1729 N VAL A 108 3.445 1.939 6.282 1.00 0.00 N ATOM 1730 CA VAL A 108 2.642 2.364 5.140 1.00 0.00 C ATOM 1731 C VAL A 108 1.268 1.690 5.121 1.00 0.00 C ATOM 1732 O VAL A 108 0.243 2.353 4.927 1.00 0.00 O ATOM 1733 CB VAL A 108 3.391 2.077 3.817 1.00 0.00 C ATOM 1734 CG1 VAL A 108 2.488 2.305 2.610 1.00 0.00 C ATOM 1735 CG2 VAL A 108 4.648 2.941 3.727 1.00 0.00 C ATOM 0 H VAL A 108 4.339 1.519 6.026 1.00 0.00 H new ATOM 0 HA VAL A 108 2.482 3.438 5.239 1.00 0.00 H new ATOM 0 HB VAL A 108 3.687 1.028 3.812 1.00 0.00 H new ATOM 0 HG11 VAL A 108 3.043 2.095 1.696 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.625 1.642 2.671 1.00 0.00 H new ATOM 0 HG13 VAL A 108 2.150 3.341 2.599 1.00 0.00 H new ATOM 0 HG21 VAL A 108 5.168 2.731 2.792 1.00 0.00 H new ATOM 0 HG22 VAL A 108 4.369 3.994 3.758 1.00 0.00 H new ATOM 0 HG23 VAL A 108 5.306 2.715 4.566 1.00 0.00 H new ATOM 1745 N TYR A 109 1.257 0.379 5.334 1.00 0.00 N ATOM 1746 CA TYR A 109 0.022 -0.402 5.310 1.00 0.00 C ATOM 1747 C TYR A 109 -0.984 0.132 6.332 1.00 0.00 C ATOM 1748 O TYR A 109 -2.124 0.449 5.986 1.00 0.00 O ATOM 1749 CB TYR A 109 0.342 -1.884 5.570 1.00 0.00 C ATOM 1750 CG TYR A 109 -0.873 -2.782 5.759 1.00 0.00 C ATOM 1751 CD1 TYR A 109 -1.533 -3.340 4.668 1.00 0.00 C ATOM 1752 CD2 TYR A 109 -1.352 -3.077 7.032 1.00 0.00 C ATOM 1753 CE1 TYR A 109 -2.629 -4.164 4.842 1.00 0.00 C ATOM 1754 CE2 TYR A 109 -2.449 -3.898 7.212 1.00 0.00 C ATOM 1755 CZ TYR A 109 -3.084 -4.437 6.116 1.00 0.00 C ATOM 1756 OH TYR A 109 -4.177 -5.256 6.294 1.00 0.00 O ATOM 0 H TYR A 109 2.095 -0.170 5.527 1.00 0.00 H new ATOM 0 HA TYR A 109 -0.435 -0.310 4.325 1.00 0.00 H new ATOM 0 HB2 TYR A 109 0.930 -2.265 4.735 1.00 0.00 H new ATOM 0 HB3 TYR A 109 0.968 -1.954 6.459 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -1.183 -3.126 3.669 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -0.857 -2.657 7.895 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -3.127 -4.592 3.985 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -2.806 -4.116 8.208 1.00 0.00 H new ATOM 0 HH TYR A 109 -4.366 -5.346 7.251 1.00 0.00 H new ATOM 1766 N GLN A 110 -0.546 0.265 7.584 1.00 0.00 N ATOM 1767 CA GLN A 110 -1.434 0.691 8.666 1.00 0.00 C ATOM 1768 C GLN A 110 -1.783 2.174 8.533 1.00 0.00 C ATOM 1769 O GLN A 110 -2.880 2.602 8.898 1.00 0.00 O ATOM 1770 CB GLN A 110 -0.788 0.408 10.036 1.00 0.00 C ATOM 1771 CG GLN A 110 0.381 1.332 10.407 1.00 0.00 C ATOM 1772 CD GLN A 110 -0.048 2.625 11.094 1.00 0.00 C ATOM 1773 OE1 GLN A 110 -1.154 2.580 11.824 1.00 0.00 O flip ATOM 1774 NE2 GLN A 110 0.615 3.654 10.971 1.00 0.00 N flip ATOM 0 H GLN A 110 0.415 0.085 7.874 1.00 0.00 H new ATOM 0 HA GLN A 110 -2.358 0.118 8.593 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -1.555 0.491 10.806 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -0.434 -0.623 10.048 1.00 0.00 H new ATOM 0 HG2 GLN A 110 1.064 0.792 11.063 1.00 0.00 H new ATOM 0 HG3 GLN A 110 0.937 1.580 9.503 1.00 0.00 H new ATOM 0 HE21 GLN A 110 1.461 3.651 10.401 1.00 0.00 H new ATOM 0 HE22 GLN A 110 0.319 4.510 11.439 1.00 0.00 H new ATOM 1783 N LEU A 111 -0.844 2.946 7.996 1.00 0.00 N ATOM 1784 CA LEU A 111 -0.995 4.394 7.903 1.00 0.00 C ATOM 1785 C LEU A 111 -2.082 4.766 6.898 1.00 0.00 C ATOM 1786 O LEU A 111 -2.844 5.706 7.117 1.00 0.00 O ATOM 1787 CB LEU A 111 0.341 5.048 7.524 1.00 0.00 C ATOM 1788 CG LEU A 111 0.363 6.581 7.594 1.00 0.00 C ATOM 1789 CD1 LEU A 111 0.040 7.067 9.009 1.00 0.00 C ATOM 1790 CD2 LEU A 111 1.712 7.126 7.131 1.00 0.00 C ATOM 0 H LEU A 111 0.034 2.591 7.617 1.00 0.00 H new ATOM 0 HA LEU A 111 -1.299 4.769 8.880 1.00 0.00 H new ATOM 0 HB2 LEU A 111 1.117 4.659 8.183 1.00 0.00 H new ATOM 0 HB3 LEU A 111 0.602 4.743 6.510 1.00 0.00 H new ATOM 0 HG LEU A 111 -0.406 6.960 6.921 1.00 0.00 H new ATOM 0 HD11 LEU A 111 0.062 8.157 9.033 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.952 6.717 9.296 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.780 6.674 9.706 1.00 0.00 H new ATOM 0 HD21 LEU A 111 1.704 8.214 7.189 1.00 0.00 H new ATOM 0 HD22 LEU A 111 2.502 6.734 7.772 1.00 0.00 H new ATOM 0 HD23 LEU A 111 1.894 6.819 6.101 1.00 0.00 H new ATOM 1802 N MET A 112 -2.156 4.030 5.792 1.00 0.00 N ATOM 1803 CA MET A 112 -3.209 4.264 4.804 1.00 0.00 C ATOM 1804 C MET A 112 -4.490 3.557 5.238 1.00 0.00 C ATOM 1805 O MET A 112 -5.586 3.922 4.821 1.00 0.00 O ATOM 1806 CB MET A 112 -2.783 3.789 3.407 1.00 0.00 C ATOM 1807 CG MET A 112 -2.683 2.278 3.256 1.00 0.00 C ATOM 1808 SD MET A 112 -2.255 1.789 1.575 1.00 0.00 S ATOM 1809 CE MET A 112 -2.489 0.020 1.680 1.00 0.00 C ATOM 0 H MET A 112 -1.510 3.276 5.558 1.00 0.00 H new ATOM 0 HA MET A 112 -3.391 5.337 4.746 1.00 0.00 H new ATOM 0 HB2 MET A 112 -3.497 4.168 2.675 1.00 0.00 H new ATOM 0 HB3 MET A 112 -1.816 4.230 3.167 1.00 0.00 H new ATOM 0 HG2 MET A 112 -1.932 1.894 3.947 1.00 0.00 H new ATOM 0 HG3 MET A 112 -3.634 1.823 3.534 1.00 0.00 H new ATOM 0 HE1 MET A 112 -2.050 -0.458 0.804 1.00 0.00 H new ATOM 0 HE2 MET A 112 -2.005 -0.358 2.581 1.00 0.00 H new ATOM 0 HE3 MET A 112 -3.555 -0.204 1.719 1.00 0.00 H new ATOM 1819 N GLU A 113 -4.338 2.546 6.084 1.00 0.00 N ATOM 1820 CA GLU A 113 -5.472 1.800 6.615 1.00 0.00 C ATOM 1821 C GLU A 113 -6.380 2.728 7.427 1.00 0.00 C ATOM 1822 O GLU A 113 -7.547 2.929 7.087 1.00 0.00 O ATOM 1823 CB GLU A 113 -4.966 0.643 7.489 1.00 0.00 C ATOM 1824 CG GLU A 113 -6.064 -0.247 8.059 1.00 0.00 C ATOM 1825 CD GLU A 113 -5.519 -1.276 9.037 1.00 0.00 C ATOM 1826 OE1 GLU A 113 -5.385 -0.946 10.234 1.00 0.00 O ATOM 1827 OE2 GLU A 113 -5.218 -2.414 8.619 1.00 0.00 O ATOM 0 H GLU A 113 -3.431 2.221 6.420 1.00 0.00 H new ATOM 0 HA GLU A 113 -6.051 1.390 5.788 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -4.288 0.028 6.898 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -4.385 1.055 8.314 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -6.807 0.372 8.562 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -6.575 -0.758 7.243 1.00 0.00 H new ATOM 1834 N GLN A 114 -5.814 3.328 8.469 1.00 0.00 N ATOM 1835 CA GLN A 114 -6.566 4.191 9.383 1.00 0.00 C ATOM 1836 C GLN A 114 -7.408 5.236 8.634 1.00 0.00 C ATOM 1837 O GLN A 114 -8.518 5.567 9.061 1.00 0.00 O ATOM 1838 CB GLN A 114 -5.604 4.895 10.353 1.00 0.00 C ATOM 1839 CG GLN A 114 -4.528 5.714 9.649 1.00 0.00 C ATOM 1840 CD GLN A 114 -3.656 6.513 10.602 1.00 0.00 C ATOM 1841 OE1 GLN A 114 -3.419 6.111 11.744 1.00 0.00 O ATOM 1842 NE2 GLN A 114 -3.187 7.663 10.147 1.00 0.00 N ATOM 0 H GLN A 114 -4.826 3.233 8.706 1.00 0.00 H new ATOM 0 HA GLN A 114 -7.253 3.554 9.940 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -6.177 5.549 11.010 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -5.126 4.147 10.986 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -3.896 5.044 9.065 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -5.004 6.397 8.945 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -3.404 7.962 9.196 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -2.608 8.251 10.747 1.00 0.00 H new ATOM 1851 N ASP A 115 -6.889 5.740 7.513 1.00 0.00 N ATOM 1852 CA ASP A 115 -7.555 6.814 6.766 1.00 0.00 C ATOM 1853 C ASP A 115 -8.228 6.297 5.491 1.00 0.00 C ATOM 1854 O ASP A 115 -9.455 6.313 5.378 1.00 0.00 O ATOM 1855 CB ASP A 115 -6.554 7.936 6.424 1.00 0.00 C ATOM 1856 CG ASP A 115 -6.274 8.858 7.607 1.00 0.00 C ATOM 1857 OD1 ASP A 115 -7.038 9.831 7.795 1.00 0.00 O ATOM 1858 OD2 ASP A 115 -5.301 8.616 8.354 1.00 0.00 O ATOM 0 H ASP A 115 -6.011 5.424 7.101 1.00 0.00 H new ATOM 0 HA ASP A 115 -8.337 7.217 7.409 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -5.618 7.491 6.086 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -6.945 8.525 5.594 1.00 0.00 H new ATOM 1863 N SER A 116 -7.431 5.827 4.540 1.00 0.00 N ATOM 1864 CA SER A 116 -7.941 5.443 3.222 1.00 0.00 C ATOM 1865 C SER A 116 -8.915 4.262 3.313 1.00 0.00 C ATOM 1866 O SER A 116 -9.903 4.214 2.577 1.00 0.00 O ATOM 1867 CB SER A 116 -6.778 5.104 2.276 1.00 0.00 C ATOM 1868 OG SER A 116 -7.241 4.808 0.968 1.00 0.00 O ATOM 0 H SER A 116 -6.425 5.701 4.654 1.00 0.00 H new ATOM 0 HA SER A 116 -8.490 6.294 2.820 1.00 0.00 H new ATOM 0 HB2 SER A 116 -6.084 5.943 2.236 1.00 0.00 H new ATOM 0 HB3 SER A 116 -6.225 4.251 2.669 1.00 0.00 H new ATOM 0 HG SER A 116 -7.410 3.846 0.891 1.00 0.00 H new ATOM 1874 N TYR A 117 -8.646 3.320 4.217 1.00 0.00 N ATOM 1875 CA TYR A 117 -9.484 2.125 4.358 1.00 0.00 C ATOM 1876 C TYR A 117 -10.850 2.482 4.947 1.00 0.00 C ATOM 1877 O TYR A 117 -11.875 1.968 4.501 1.00 0.00 O ATOM 1878 CB TYR A 117 -8.750 1.070 5.203 1.00 0.00 C ATOM 1879 CG TYR A 117 -9.611 -0.055 5.753 1.00 0.00 C ATOM 1880 CD1 TYR A 117 -10.343 -0.889 4.912 1.00 0.00 C ATOM 1881 CD2 TYR A 117 -9.667 -0.293 7.122 1.00 0.00 C ATOM 1882 CE1 TYR A 117 -11.106 -1.923 5.424 1.00 0.00 C ATOM 1883 CE2 TYR A 117 -10.422 -1.325 7.638 1.00 0.00 C ATOM 1884 CZ TYR A 117 -11.138 -2.135 6.788 1.00 0.00 C ATOM 1885 OH TYR A 117 -11.885 -3.167 7.302 1.00 0.00 O ATOM 0 H TYR A 117 -7.857 3.359 4.862 1.00 0.00 H new ATOM 0 HA TYR A 117 -9.667 1.699 3.372 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -7.958 0.632 4.595 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -8.267 1.574 6.040 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -10.315 -0.726 3.845 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -9.109 0.342 7.794 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -11.673 -2.560 4.761 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -10.451 -1.496 8.704 1.00 0.00 H new ATOM 0 HH TYR A 117 -12.170 -3.759 6.575 1.00 0.00 H new ATOM 1895 N THR A 118 -10.869 3.382 5.924 1.00 0.00 N ATOM 1896 CA THR A 118 -12.131 3.849 6.496 1.00 0.00 C ATOM 1897 C THR A 118 -12.928 4.624 5.442 1.00 0.00 C ATOM 1898 O THR A 118 -14.141 4.420 5.275 1.00 0.00 O ATOM 1899 CB THR A 118 -11.895 4.730 7.747 1.00 0.00 C ATOM 1900 OG1 THR A 118 -10.943 5.762 7.452 1.00 0.00 O ATOM 1901 CG2 THR A 118 -11.390 3.896 8.918 1.00 0.00 C ATOM 0 H THR A 118 -10.035 3.801 6.335 1.00 0.00 H new ATOM 0 HA THR A 118 -12.703 2.976 6.809 1.00 0.00 H new ATOM 0 HB THR A 118 -12.849 5.179 8.024 1.00 0.00 H new ATOM 0 HG1 THR A 118 -10.492 5.559 6.606 1.00 0.00 H new ATOM 0 HG21 THR A 118 -11.233 4.541 9.783 1.00 0.00 H new ATOM 0 HG22 THR A 118 -12.127 3.131 9.164 1.00 0.00 H new ATOM 0 HG23 THR A 118 -10.449 3.419 8.646 1.00 0.00 H new ATOM 1909 N ARG A 119 -12.228 5.495 4.711 1.00 0.00 N ATOM 1910 CA ARG A 119 -12.829 6.225 3.596 1.00 0.00 C ATOM 1911 C ARG A 119 -13.403 5.245 2.577 1.00 0.00 C ATOM 1912 O ARG A 119 -14.488 5.458 2.043 1.00 0.00 O ATOM 1913 CB ARG A 119 -11.802 7.151 2.927 1.00 0.00 C ATOM 1914 CG ARG A 119 -11.370 8.323 3.804 1.00 0.00 C ATOM 1915 CD ARG A 119 -10.339 9.208 3.111 1.00 0.00 C ATOM 1916 NE ARG A 119 -10.821 9.727 1.826 1.00 0.00 N ATOM 1917 CZ ARG A 119 -11.432 10.903 1.667 1.00 0.00 C ATOM 1918 NH1 ARG A 119 -11.614 11.715 2.704 1.00 0.00 N ATOM 1919 NH2 ARG A 119 -11.849 11.271 0.465 1.00 0.00 N ATOM 0 H ARG A 119 -11.244 5.711 4.873 1.00 0.00 H new ATOM 0 HA ARG A 119 -13.637 6.844 3.987 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -10.922 6.568 2.656 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -12.225 7.539 2.000 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -12.243 8.921 4.066 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -10.953 7.943 4.737 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -10.083 10.042 3.764 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -9.424 8.638 2.949 1.00 0.00 H new ATOM 0 HE ARG A 119 -10.679 9.149 0.997 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -11.286 11.441 3.630 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -12.082 12.612 2.573 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -11.703 10.656 -0.336 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -12.316 12.169 0.340 1.00 0.00 H new ATOM 1933 N PHE A 120 -12.679 4.158 2.330 1.00 0.00 N ATOM 1934 CA PHE A 120 -13.154 3.115 1.428 1.00 0.00 C ATOM 1935 C PHE A 120 -14.451 2.510 1.962 1.00 0.00 C ATOM 1936 O PHE A 120 -15.387 2.257 1.204 1.00 0.00 O ATOM 1937 CB PHE A 120 -12.092 2.021 1.246 1.00 0.00 C ATOM 1938 CG PHE A 120 -12.532 0.904 0.329 1.00 0.00 C ATOM 1939 CD1 PHE A 120 -12.450 1.049 -1.050 1.00 0.00 C ATOM 1940 CD2 PHE A 120 -13.038 -0.283 0.843 1.00 0.00 C ATOM 1941 CE1 PHE A 120 -12.860 0.033 -1.892 1.00 0.00 C ATOM 1942 CE2 PHE A 120 -13.452 -1.298 0.003 1.00 0.00 C ATOM 1943 CZ PHE A 120 -13.361 -1.141 -1.366 1.00 0.00 C ATOM 0 H PHE A 120 -11.763 3.977 2.741 1.00 0.00 H new ATOM 0 HA PHE A 120 -13.347 3.566 0.454 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -11.182 2.471 0.848 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -11.841 1.603 2.221 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -12.062 1.966 -1.469 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -13.109 -0.414 1.913 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -12.788 0.157 -2.962 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -13.847 -2.214 0.417 1.00 0.00 H new ATOM 0 HZ PHE A 120 -13.681 -1.935 -2.024 1.00 0.00 H new ATOM 1953 N LEU A 121 -14.508 2.304 3.275 1.00 0.00 N ATOM 1954 CA LEU A 121 -15.696 1.745 3.920 1.00 0.00 C ATOM 1955 C LEU A 121 -16.865 2.733 3.879 1.00 0.00 C ATOM 1956 O LEU A 121 -17.990 2.393 4.257 1.00 0.00 O ATOM 1957 CB LEU A 121 -15.390 1.350 5.372 1.00 0.00 C ATOM 1958 CG LEU A 121 -14.344 0.237 5.545 1.00 0.00 C ATOM 1959 CD1 LEU A 121 -14.116 -0.063 7.025 1.00 0.00 C ATOM 1960 CD2 LEU A 121 -14.769 -1.025 4.793 1.00 0.00 C ATOM 0 H LEU A 121 -13.744 2.516 3.916 1.00 0.00 H new ATOM 0 HA LEU A 121 -15.984 0.852 3.366 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -15.046 2.235 5.907 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -16.318 1.031 5.847 1.00 0.00 H new ATOM 0 HG LEU A 121 -13.402 0.584 5.120 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -13.372 -0.853 7.126 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -13.760 0.836 7.528 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -15.053 -0.386 7.479 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -14.015 -1.800 4.928 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -15.725 -1.376 5.182 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -14.871 -0.799 3.732 1.00 0.00 H new ATOM 1972 N LYS A 122 -16.600 3.966 3.459 1.00 0.00 N ATOM 1973 CA LYS A 122 -17.673 4.940 3.253 1.00 0.00 C ATOM 1974 C LYS A 122 -17.558 5.620 1.881 1.00 0.00 C ATOM 1975 O LYS A 122 -18.121 6.693 1.657 1.00 0.00 O ATOM 1976 CB LYS A 122 -17.665 5.975 4.393 1.00 0.00 C ATOM 1977 CG LYS A 122 -18.966 6.763 4.523 1.00 0.00 C ATOM 1978 CD LYS A 122 -20.194 5.852 4.637 1.00 0.00 C ATOM 1979 CE LYS A 122 -20.270 5.092 5.965 1.00 0.00 C ATOM 1980 NZ LYS A 122 -19.204 4.055 6.123 1.00 0.00 N ATOM 0 H LYS A 122 -15.663 4.315 3.256 1.00 0.00 H new ATOM 0 HA LYS A 122 -18.627 4.413 3.268 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -17.467 5.462 5.334 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -16.844 6.673 4.231 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -18.912 7.406 5.401 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -19.080 7.415 3.657 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -21.095 6.454 4.520 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -20.181 5.134 3.817 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -20.197 5.805 6.787 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -21.246 4.613 6.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -19.548 3.295 6.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -18.964 3.659 5.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -18.358 4.489 6.544 1.00 0.00 H new ATOM 1994 N SER A 123 -16.837 4.982 0.961 1.00 0.00 N ATOM 1995 CA SER A 123 -16.702 5.487 -0.406 1.00 0.00 C ATOM 1996 C SER A 123 -18.046 5.451 -1.138 1.00 0.00 C ATOM 1997 O SER A 123 -18.967 4.735 -0.733 1.00 0.00 O ATOM 1998 CB SER A 123 -15.666 4.661 -1.178 1.00 0.00 C ATOM 1999 OG SER A 123 -16.069 3.304 -1.289 1.00 0.00 O ATOM 0 H SER A 123 -16.335 4.112 1.137 1.00 0.00 H new ATOM 0 HA SER A 123 -16.366 6.522 -0.352 1.00 0.00 H new ATOM 0 HB2 SER A 123 -15.528 5.084 -2.173 1.00 0.00 H new ATOM 0 HB3 SER A 123 -14.702 4.716 -0.671 1.00 0.00 H new ATOM 0 HG SER A 123 -15.770 2.808 -0.498 1.00 0.00 H new ATOM 2005 N ASP A 124 -18.141 6.210 -2.227 1.00 0.00 N ATOM 2006 CA ASP A 124 -19.366 6.284 -3.020 1.00 0.00 C ATOM 2007 C ASP A 124 -19.699 4.915 -3.613 1.00 0.00 C ATOM 2008 O ASP A 124 -20.851 4.471 -3.577 1.00 0.00 O ATOM 2009 CB ASP A 124 -19.223 7.337 -4.136 1.00 0.00 C ATOM 2010 CG ASP A 124 -18.190 6.966 -5.198 1.00 0.00 C ATOM 2011 OD1 ASP A 124 -17.065 6.561 -4.829 1.00 0.00 O ATOM 2012 OD2 ASP A 124 -18.495 7.095 -6.406 1.00 0.00 O ATOM 0 H ASP A 124 -17.378 6.787 -2.583 1.00 0.00 H new ATOM 0 HA ASP A 124 -20.185 6.586 -2.367 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -20.191 7.479 -4.617 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -18.946 8.292 -3.690 1.00 0.00 H new ATOM 2017 N ILE A 125 -18.676 4.241 -4.134 1.00 0.00 N ATOM 2018 CA ILE A 125 -18.837 2.907 -4.703 1.00 0.00 C ATOM 2019 C ILE A 125 -19.299 1.916 -3.631 1.00 0.00 C ATOM 2020 O ILE A 125 -20.151 1.062 -3.887 1.00 0.00 O ATOM 2021 CB ILE A 125 -17.522 2.406 -5.367 1.00 0.00 C ATOM 2022 CG1 ILE A 125 -17.715 1.009 -5.989 1.00 0.00 C ATOM 2023 CG2 ILE A 125 -16.365 2.394 -4.365 1.00 0.00 C ATOM 2024 CD1 ILE A 125 -18.750 0.969 -7.096 1.00 0.00 C ATOM 0 H ILE A 125 -17.722 4.600 -4.173 1.00 0.00 H new ATOM 0 HA ILE A 125 -19.601 2.971 -5.478 1.00 0.00 H new ATOM 0 HB ILE A 125 -17.269 3.104 -6.165 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -16.760 0.663 -6.385 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -18.008 0.310 -5.205 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -15.460 2.039 -4.858 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -16.201 3.403 -3.987 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -16.609 1.731 -3.535 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -18.829 -0.047 -7.484 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -19.716 1.283 -6.702 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -18.450 1.642 -7.899 1.00 0.00 H new ATOM 2036 N TYR A 126 -18.756 2.051 -2.422 1.00 0.00 N ATOM 2037 CA TYR A 126 -19.123 1.169 -1.319 1.00 0.00 C ATOM 2038 C TYR A 126 -20.578 1.404 -0.920 1.00 0.00 C ATOM 2039 O TYR A 126 -21.316 0.457 -0.641 1.00 0.00 O ATOM 2040 CB TYR A 126 -18.195 1.393 -0.119 1.00 0.00 C ATOM 2041 CG TYR A 126 -18.362 0.367 0.989 1.00 0.00 C ATOM 2042 CD1 TYR A 126 -17.747 -0.879 0.904 1.00 0.00 C ATOM 2043 CD2 TYR A 126 -19.129 0.642 2.115 1.00 0.00 C ATOM 2044 CE1 TYR A 126 -17.893 -1.816 1.909 1.00 0.00 C ATOM 2045 CE2 TYR A 126 -19.277 -0.289 3.124 1.00 0.00 C ATOM 2046 CZ TYR A 126 -18.657 -1.516 3.018 1.00 0.00 C ATOM 2047 OH TYR A 126 -18.805 -2.447 4.022 1.00 0.00 O ATOM 0 H TYR A 126 -18.063 2.760 -2.183 1.00 0.00 H new ATOM 0 HA TYR A 126 -19.013 0.136 -1.648 1.00 0.00 H new ATOM 0 HB2 TYR A 126 -17.161 1.376 -0.464 1.00 0.00 H new ATOM 0 HB3 TYR A 126 -18.379 2.387 0.289 1.00 0.00 H new ATOM 0 HD1 TYR A 126 -17.146 -1.117 0.039 1.00 0.00 H new ATOM 0 HD2 TYR A 126 -19.618 1.601 2.202 1.00 0.00 H new ATOM 0 HE1 TYR A 126 -17.411 -2.779 1.827 1.00 0.00 H new ATOM 0 HE2 TYR A 126 -19.876 -0.057 3.992 1.00 0.00 H new ATOM 0 HH TYR A 126 -18.233 -3.221 3.838 1.00 0.00 H new ATOM 2057 N LEU A 127 -20.987 2.672 -0.904 1.00 0.00 N ATOM 2058 CA LEU A 127 -22.371 3.035 -0.600 1.00 0.00 C ATOM 2059 C LEU A 127 -23.317 2.433 -1.637 1.00 0.00 C ATOM 2060 O LEU A 127 -24.420 1.996 -1.303 1.00 0.00 O ATOM 2061 CB LEU A 127 -22.533 4.562 -0.545 1.00 0.00 C ATOM 2062 CG LEU A 127 -21.851 5.252 0.649 1.00 0.00 C ATOM 2063 CD1 LEU A 127 -22.003 6.768 0.557 1.00 0.00 C ATOM 2064 CD2 LEU A 127 -22.420 4.729 1.967 1.00 0.00 C ATOM 0 H LEU A 127 -20.378 3.467 -1.098 1.00 0.00 H new ATOM 0 HA LEU A 127 -22.626 2.630 0.380 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -22.134 4.987 -1.466 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -23.597 4.798 -0.521 1.00 0.00 H new ATOM 0 HG LEU A 127 -20.787 5.017 0.618 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -21.513 7.235 1.411 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -21.543 7.125 -0.365 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -23.061 7.028 0.558 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -21.926 5.228 2.800 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -23.490 4.930 2.007 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -22.250 3.654 2.036 1.00 0.00 H new ATOM 2076 N ASP A 128 -22.871 2.405 -2.890 1.00 0.00 N ATOM 2077 CA ASP A 128 -23.626 1.764 -3.966 1.00 0.00 C ATOM 2078 C ASP A 128 -23.774 0.268 -3.688 1.00 0.00 C ATOM 2079 O ASP A 128 -24.851 -0.304 -3.853 1.00 0.00 O ATOM 2080 CB ASP A 128 -22.937 1.990 -5.319 1.00 0.00 C ATOM 2081 CG ASP A 128 -23.598 1.220 -6.453 1.00 0.00 C ATOM 2082 OD1 ASP A 128 -24.714 1.601 -6.872 1.00 0.00 O ATOM 2083 OD2 ASP A 128 -23.011 0.223 -6.927 1.00 0.00 O ATOM 0 H ASP A 128 -21.988 2.820 -3.187 1.00 0.00 H new ATOM 0 HA ASP A 128 -24.618 2.213 -4.007 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -22.948 3.054 -5.554 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -21.892 1.691 -5.244 1.00 0.00 H new ATOM 2088 N LEU A 129 -22.683 -0.352 -3.243 1.00 0.00 N ATOM 2089 CA LEU A 129 -22.690 -1.769 -2.871 1.00 0.00 C ATOM 2090 C LEU A 129 -23.618 -2.008 -1.679 1.00 0.00 C ATOM 2091 O LEU A 129 -24.196 -3.084 -1.535 1.00 0.00 O ATOM 2092 CB LEU A 129 -21.267 -2.245 -2.532 1.00 0.00 C ATOM 2093 CG LEU A 129 -20.248 -2.141 -3.680 1.00 0.00 C ATOM 2094 CD1 LEU A 129 -18.858 -2.567 -3.210 1.00 0.00 C ATOM 2095 CD2 LEU A 129 -20.696 -2.979 -4.877 1.00 0.00 C ATOM 0 H LEU A 129 -21.778 0.105 -3.130 1.00 0.00 H new ATOM 0 HA LEU A 129 -23.059 -2.341 -3.722 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -20.899 -1.663 -1.687 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -21.317 -3.284 -2.206 1.00 0.00 H new ATOM 0 HG LEU A 129 -20.195 -1.099 -3.995 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -18.153 -2.486 -4.038 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -18.536 -1.920 -2.394 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -18.892 -3.600 -2.863 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -19.962 -2.892 -5.678 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -20.784 -4.023 -4.578 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -21.663 -2.621 -5.231 1.00 0.00 H new ATOM 2107 N MET A 130 -23.748 -0.993 -0.825 1.00 0.00 N ATOM 2108 CA MET A 130 -24.640 -1.062 0.334 1.00 0.00 C ATOM 2109 C MET A 130 -26.088 -0.832 -0.088 1.00 0.00 C ATOM 2110 O MET A 130 -27.010 -1.310 0.572 1.00 0.00 O ATOM 2111 CB MET A 130 -24.236 -0.027 1.397 1.00 0.00 C ATOM 2112 CG MET A 130 -22.838 -0.219 1.988 1.00 0.00 C ATOM 2113 SD MET A 130 -22.686 -1.675 3.053 1.00 0.00 S ATOM 2114 CE MET A 130 -22.466 -2.999 1.864 1.00 0.00 C ATOM 0 H MET A 130 -23.245 -0.110 -0.914 1.00 0.00 H new ATOM 0 HA MET A 130 -24.552 -2.059 0.765 1.00 0.00 H new ATOM 0 HB2 MET A 130 -24.294 0.967 0.954 1.00 0.00 H new ATOM 0 HB3 MET A 130 -24.964 -0.058 2.208 1.00 0.00 H new ATOM 0 HG2 MET A 130 -22.118 -0.300 1.174 1.00 0.00 H new ATOM 0 HG3 MET A 130 -22.572 0.668 2.562 1.00 0.00 H new ATOM 0 HE1 MET A 130 -23.377 -3.595 1.810 1.00 0.00 H new ATOM 0 HE2 MET A 130 -22.251 -2.575 0.883 1.00 0.00 H new ATOM 0 HE3 MET A 130 -21.636 -3.633 2.175 1.00 0.00 H new