USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 911 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 79 HIS : no HD1:sc= -0.128 K(o=-0.39,f=-2.3) USER MOD Set 1.2: B 9 ASN : amide:sc= -0.265 K(o=-0.39,f=-5.2!) USER MOD Set 2.1: A 42 LYS NZ :NH3+ -153:sc= -2.49! (180deg=-3.76!) USER MOD Set 2.2: A 80 GLN :FLIP amide:sc= -1 F(o=-8.6,f=-7.3) USER MOD Set 2.3: A 82 LYS NZ :NH3+ -171:sc= -3.79! (180deg=-3.12) USER MOD Set 3.1: A 20 GLN :FLIP amide:sc= 0.125 F(o=-0.79,f=0.13) USER MOD Set 3.2: A 21 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0254) USER MOD Set 4.1: A 18 GLN : amide:sc=-0.00612 X(o=-0.0061,f=0) USER MOD Set 4.2: B 20 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -168:sc= 0 (180deg=-0.013) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl -167:sc= -0.926 (180deg=-1.73) USER MOD Single : A 14 SER OG : rot -22:sc= 1.04 USER MOD Single : A 22 GLN : amide:sc= -3.8 K(o=-3.8,f=-6.4!) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -1.61 K(o=-1.6,f=-7.2!) USER MOD Single : A 35 MET CE :methyl 164:sc= 0 (180deg=-0.126) USER MOD Single : A 36 HIS :FLIP no HD1:sc= -4.84! C(o=-7!,f=-4.8!) USER MOD Single : A 38 THR OG1 : rot 140:sc= -1.56 USER MOD Single : A 44 THR OG1 : rot 90:sc= 1.22 USER MOD Single : A 46 MET CE :methyl 142:sc= -16.2! (180deg=-20.9!) USER MOD Single : A 52 ASN :FLIP amide:sc= -1.29 F(o=-2.6!,f=-1.3) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -0.402 X(o=-0.4,f=-0.82) USER MOD Single : A 58 MET CE :methyl 155:sc= -3.5! (180deg=-5.83!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 156:sc= 0.454 (180deg=0.0301) USER MOD Single : A 77 GLN : amide:sc= -0.485 X(o=-0.49,f=0) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.00173 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0446 USER MOD Single : B 1 VAL N :NH3+ -146:sc= -0.0665 (180deg=-0.568) USER MOD Single : B 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 4 SER OG : rot 180:sc= 0 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 SER OG : rot 70:sc= -3.04! USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD Single : B 16 SER OG : rot 74:sc= -3.29! USER MOD Single : B 18 TYR OH : rot 180:sc= -0.629 USER MOD Single : B 19 SER OG : rot 180:sc= 0 USER MOD Single : B 21 SER OG : rot 180:sc= 0 USER MOD Single : B 22 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.896 -11.775 -2.883 1.00 0.00 N ATOM 2 CA GLY A 1 9.724 -12.579 -3.330 1.00 0.00 C ATOM 3 C GLY A 1 9.108 -12.047 -4.610 1.00 0.00 C ATOM 4 O GLY A 1 8.097 -11.345 -4.569 1.00 0.00 O ATOM 0 H1 GLY A 1 11.401 -12.286 -2.131 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.537 -11.619 -3.687 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.569 -10.858 -2.518 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.034 -13.613 -3.482 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.970 -12.585 -2.543 1.00 0.00 H new ATOM 10 N PRO A 2 9.699 -12.368 -5.773 1.00 0.00 N ATOM 11 CA PRO A 2 9.191 -11.910 -7.070 1.00 0.00 C ATOM 12 C PRO A 2 7.883 -12.594 -7.456 1.00 0.00 C ATOM 13 O PRO A 2 7.801 -13.267 -8.483 1.00 0.00 O ATOM 14 CB PRO A 2 10.305 -12.297 -8.045 1.00 0.00 C ATOM 15 CG PRO A 2 10.988 -13.451 -7.396 1.00 0.00 C ATOM 16 CD PRO A 2 10.908 -13.201 -5.915 1.00 0.00 C ATOM 0 HA PRO A 2 8.963 -10.844 -7.064 1.00 0.00 H new ATOM 0 HB2 PRO A 2 9.901 -12.572 -9.019 1.00 0.00 H new ATOM 0 HB3 PRO A 2 10.995 -11.469 -8.208 1.00 0.00 H new ATOM 0 HG2 PRO A 2 10.502 -14.390 -7.660 1.00 0.00 H new ATOM 0 HG3 PRO A 2 12.025 -13.525 -7.724 1.00 0.00 H new ATOM 0 HD2 PRO A 2 10.822 -14.132 -5.355 1.00 0.00 H new ATOM 0 HD3 PRO A 2 11.796 -12.687 -5.546 1.00 0.00 H new ATOM 24 N LEU A 3 6.858 -12.413 -6.627 1.00 0.00 N ATOM 25 CA LEU A 3 5.554 -13.010 -6.886 1.00 0.00 C ATOM 26 C LEU A 3 4.772 -12.173 -7.894 1.00 0.00 C ATOM 27 O LEU A 3 3.962 -11.326 -7.517 1.00 0.00 O ATOM 28 CB LEU A 3 4.762 -13.147 -5.581 1.00 0.00 C ATOM 29 CG LEU A 3 4.215 -14.547 -5.297 1.00 0.00 C ATOM 30 CD1 LEU A 3 3.080 -14.883 -6.255 1.00 0.00 C ATOM 31 CD2 LEU A 3 5.327 -15.584 -5.392 1.00 0.00 C ATOM 0 H LEU A 3 6.907 -11.859 -5.772 1.00 0.00 H new ATOM 0 HA LEU A 3 5.708 -14.003 -7.307 1.00 0.00 H new ATOM 0 HB2 LEU A 3 5.404 -12.850 -4.752 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.928 -12.446 -5.605 1.00 0.00 H new ATOM 0 HG LEU A 3 3.819 -14.563 -4.282 1.00 0.00 H new ATOM 0 HD11 LEU A 3 2.704 -15.883 -6.037 1.00 0.00 H new ATOM 0 HD12 LEU A 3 2.275 -14.158 -6.134 1.00 0.00 H new ATOM 0 HD13 LEU A 3 3.447 -14.849 -7.281 1.00 0.00 H new ATOM 0 HD21 LEU A 3 4.920 -16.574 -5.187 1.00 0.00 H new ATOM 0 HD22 LEU A 3 5.755 -15.568 -6.394 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.103 -15.353 -4.663 1.00 0.00 H new ATOM 43 N GLY A 4 5.023 -12.413 -9.176 1.00 0.00 N ATOM 44 CA GLY A 4 4.338 -11.671 -10.219 1.00 0.00 C ATOM 45 C GLY A 4 3.077 -12.361 -10.698 1.00 0.00 C ATOM 46 O GLY A 4 2.717 -12.262 -11.872 1.00 0.00 O ATOM 0 H GLY A 4 5.689 -13.109 -9.512 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.085 -10.679 -9.846 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.014 -11.531 -11.063 1.00 0.00 H new ATOM 50 N SER A 5 2.400 -13.058 -9.792 1.00 0.00 N ATOM 51 CA SER A 5 1.169 -13.759 -10.137 1.00 0.00 C ATOM 52 C SER A 5 -0.041 -12.831 -10.019 1.00 0.00 C ATOM 53 O SER A 5 -0.874 -12.776 -10.925 1.00 0.00 O ATOM 54 CB SER A 5 0.981 -14.991 -9.247 1.00 0.00 C ATOM 55 OG SER A 5 -0.228 -15.663 -9.557 1.00 0.00 O ATOM 0 H SER A 5 2.682 -13.152 -8.816 1.00 0.00 H new ATOM 0 HA SER A 5 1.250 -14.087 -11.173 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.823 -15.671 -9.379 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.975 -14.690 -8.199 1.00 0.00 H new ATOM 0 HG SER A 5 -0.325 -16.447 -8.977 1.00 0.00 H new ATOM 61 N PRO A 6 -0.159 -12.082 -8.905 1.00 0.00 N ATOM 62 CA PRO A 6 -1.278 -11.156 -8.699 1.00 0.00 C ATOM 63 C PRO A 6 -1.431 -10.173 -9.853 1.00 0.00 C ATOM 64 O PRO A 6 -0.777 -9.129 -9.882 1.00 0.00 O ATOM 65 CB PRO A 6 -0.903 -10.414 -7.414 1.00 0.00 C ATOM 66 CG PRO A 6 0.023 -11.335 -6.699 1.00 0.00 C ATOM 67 CD PRO A 6 0.781 -12.068 -7.768 1.00 0.00 C ATOM 0 HA PRO A 6 -2.232 -11.680 -8.638 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -0.422 -9.461 -7.634 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -1.785 -10.194 -6.812 1.00 0.00 H new ATOM 0 HG2 PRO A 6 0.701 -10.781 -6.050 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -0.529 -12.029 -6.065 1.00 0.00 H new ATOM 0 HD2 PRO A 6 1.711 -11.559 -8.022 1.00 0.00 H new ATOM 0 HD3 PRO A 6 1.045 -13.077 -7.453 1.00 0.00 H new ATOM 75 N LEU A 7 -2.294 -10.513 -10.804 1.00 0.00 N ATOM 76 CA LEU A 7 -2.527 -9.656 -11.960 1.00 0.00 C ATOM 77 C LEU A 7 -3.561 -8.579 -11.643 1.00 0.00 C ATOM 78 O LEU A 7 -4.576 -8.843 -10.993 1.00 0.00 O ATOM 79 CB LEU A 7 -2.976 -10.494 -13.160 1.00 0.00 C ATOM 80 CG LEU A 7 -1.938 -10.615 -14.279 1.00 0.00 C ATOM 81 CD1 LEU A 7 -1.687 -9.259 -14.926 1.00 0.00 C ATOM 82 CD2 LEU A 7 -0.640 -11.200 -13.739 1.00 0.00 C ATOM 0 H LEU A 7 -2.842 -11.373 -10.797 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.590 -9.159 -12.211 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.233 -11.494 -12.812 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.885 -10.056 -13.572 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.329 -11.289 -15.041 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.947 -9.366 -15.719 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.618 -8.879 -15.347 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.317 -8.561 -14.175 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.087 -11.279 -14.547 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.245 -10.550 -12.958 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.832 -12.190 -13.325 1.00 0.00 H new ATOM 94 N THR A 8 -3.282 -7.356 -12.078 1.00 0.00 N ATOM 95 CA THR A 8 -4.164 -6.231 -11.803 1.00 0.00 C ATOM 96 C THR A 8 -5.248 -6.126 -12.860 1.00 0.00 C ATOM 97 O THR A 8 -6.380 -5.750 -12.559 1.00 0.00 O ATOM 98 CB THR A 8 -3.360 -4.931 -11.752 1.00 0.00 C ATOM 99 OG1 THR A 8 -3.014 -4.506 -13.059 1.00 0.00 O ATOM 100 CG2 THR A 8 -2.079 -5.042 -10.950 1.00 0.00 C ATOM 0 H THR A 8 -2.452 -7.119 -12.622 1.00 0.00 H new ATOM 0 HA THR A 8 -4.638 -6.397 -10.836 1.00 0.00 H new ATOM 0 HB THR A 8 -4.012 -4.210 -11.259 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.502 -3.672 -13.007 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.561 -4.083 -10.957 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.316 -5.319 -9.923 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.438 -5.804 -11.392 1.00 0.00 H new ATOM 108 N ALA A 9 -4.918 -6.498 -14.089 1.00 0.00 N ATOM 109 CA ALA A 9 -5.900 -6.478 -15.154 1.00 0.00 C ATOM 110 C ALA A 9 -7.056 -7.397 -14.778 1.00 0.00 C ATOM 111 O ALA A 9 -8.174 -6.945 -14.537 1.00 0.00 O ATOM 112 CB ALA A 9 -5.273 -6.908 -16.475 1.00 0.00 C ATOM 0 H ALA A 9 -3.989 -6.813 -14.367 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.274 -5.462 -15.284 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.028 -6.886 -17.261 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.462 -6.226 -16.732 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.880 -7.920 -16.379 1.00 0.00 H new ATOM 118 N SER A 10 -6.774 -8.697 -14.751 1.00 0.00 N ATOM 119 CA SER A 10 -7.784 -9.703 -14.429 1.00 0.00 C ATOM 120 C SER A 10 -8.422 -9.466 -13.063 1.00 0.00 C ATOM 121 O SER A 10 -9.557 -9.889 -12.825 1.00 0.00 O ATOM 122 CB SER A 10 -7.160 -11.099 -14.465 1.00 0.00 C ATOM 123 OG SER A 10 -6.549 -11.354 -15.717 1.00 0.00 O ATOM 0 H SER A 10 -5.850 -9.080 -14.949 1.00 0.00 H new ATOM 0 HA SER A 10 -8.570 -9.623 -15.180 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.419 -11.190 -13.671 1.00 0.00 H new ATOM 0 HB3 SER A 10 -7.928 -11.849 -14.272 1.00 0.00 H new ATOM 0 HG SER A 10 -6.157 -12.252 -15.713 1.00 0.00 H new ATOM 129 N MET A 11 -7.717 -8.788 -12.161 1.00 0.00 N ATOM 130 CA MET A 11 -8.276 -8.527 -10.843 1.00 0.00 C ATOM 131 C MET A 11 -9.513 -7.657 -10.987 1.00 0.00 C ATOM 132 O MET A 11 -10.542 -7.901 -10.355 1.00 0.00 O ATOM 133 CB MET A 11 -7.243 -7.851 -9.939 1.00 0.00 C ATOM 134 CG MET A 11 -6.562 -8.809 -8.974 1.00 0.00 C ATOM 135 SD MET A 11 -7.714 -9.549 -7.801 1.00 0.00 S ATOM 136 CE MET A 11 -7.923 -8.202 -6.641 1.00 0.00 C ATOM 0 H MET A 11 -6.779 -8.418 -12.315 1.00 0.00 H new ATOM 0 HA MET A 11 -8.554 -9.473 -10.379 1.00 0.00 H new ATOM 0 HB2 MET A 11 -6.485 -7.374 -10.560 1.00 0.00 H new ATOM 0 HB3 MET A 11 -7.732 -7.061 -9.369 1.00 0.00 H new ATOM 0 HG2 MET A 11 -6.068 -9.599 -9.540 1.00 0.00 H new ATOM 0 HG3 MET A 11 -5.785 -8.276 -8.427 1.00 0.00 H new ATOM 0 HE1 MET A 11 -8.417 -8.570 -5.741 1.00 0.00 H new ATOM 0 HE2 MET A 11 -6.947 -7.793 -6.378 1.00 0.00 H new ATOM 0 HE3 MET A 11 -8.533 -7.421 -7.096 1.00 0.00 H new ATOM 146 N LEU A 12 -9.405 -6.657 -11.842 1.00 0.00 N ATOM 147 CA LEU A 12 -10.511 -5.752 -12.108 1.00 0.00 C ATOM 148 C LEU A 12 -11.707 -6.530 -12.645 1.00 0.00 C ATOM 149 O LEU A 12 -12.800 -6.481 -12.079 1.00 0.00 O ATOM 150 CB LEU A 12 -10.083 -4.678 -13.113 1.00 0.00 C ATOM 151 CG LEU A 12 -10.588 -3.261 -12.819 1.00 0.00 C ATOM 152 CD1 LEU A 12 -11.930 -3.024 -13.497 1.00 0.00 C ATOM 153 CD2 LEU A 12 -10.700 -3.033 -11.321 1.00 0.00 C ATOM 0 H LEU A 12 -8.556 -6.449 -12.368 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.800 -5.265 -11.177 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.994 -4.656 -13.153 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.432 -4.971 -14.103 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.867 -2.549 -13.220 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -12.275 -2.013 -13.278 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.819 -3.144 -14.575 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -12.658 -3.744 -13.124 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.060 -2.022 -11.133 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.399 -3.752 -10.895 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.721 -3.161 -10.859 1.00 0.00 H new ATOM 165 N ALA A 13 -11.487 -7.261 -13.734 1.00 0.00 N ATOM 166 CA ALA A 13 -12.537 -8.068 -14.349 1.00 0.00 C ATOM 167 C ALA A 13 -12.889 -9.286 -13.494 1.00 0.00 C ATOM 168 O ALA A 13 -13.658 -10.150 -13.918 1.00 0.00 O ATOM 169 CB ALA A 13 -12.106 -8.511 -15.733 1.00 0.00 C ATOM 0 H ALA A 13 -10.587 -7.311 -14.211 1.00 0.00 H new ATOM 0 HA ALA A 13 -13.431 -7.449 -14.427 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.895 -9.112 -16.185 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.918 -7.635 -16.353 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.195 -9.105 -15.658 1.00 0.00 H new ATOM 175 N SER A 14 -12.338 -9.341 -12.288 1.00 0.00 N ATOM 176 CA SER A 14 -12.611 -10.441 -11.374 1.00 0.00 C ATOM 177 C SER A 14 -13.677 -10.054 -10.347 1.00 0.00 C ATOM 178 O SER A 14 -13.922 -10.793 -9.394 1.00 0.00 O ATOM 179 CB SER A 14 -11.331 -10.874 -10.660 1.00 0.00 C ATOM 180 OG SER A 14 -11.587 -11.933 -9.753 1.00 0.00 O ATOM 0 H SER A 14 -11.699 -8.636 -11.921 1.00 0.00 H new ATOM 0 HA SER A 14 -12.989 -11.277 -11.963 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.590 -11.191 -11.394 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.905 -10.026 -10.123 1.00 0.00 H new ATOM 0 HG SER A 14 -12.535 -11.930 -9.505 1.00 0.00 H new ATOM 186 N ALA A 15 -14.318 -8.900 -10.548 1.00 0.00 N ATOM 187 CA ALA A 15 -15.360 -8.434 -9.641 1.00 0.00 C ATOM 188 C ALA A 15 -16.476 -7.724 -10.411 1.00 0.00 C ATOM 189 O ALA A 15 -16.229 -7.142 -11.468 1.00 0.00 O ATOM 190 CB ALA A 15 -14.758 -7.509 -8.603 1.00 0.00 C ATOM 0 H ALA A 15 -14.131 -8.274 -11.331 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.797 -9.296 -9.138 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.540 -7.163 -7.927 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.998 -8.045 -8.035 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.302 -6.652 -9.100 1.00 0.00 H new ATOM 196 N PRO A 16 -17.727 -7.780 -9.904 1.00 0.00 N ATOM 197 CA PRO A 16 -18.878 -7.156 -10.556 1.00 0.00 C ATOM 198 C PRO A 16 -18.567 -5.768 -11.120 1.00 0.00 C ATOM 199 O PRO A 16 -17.477 -5.232 -10.925 1.00 0.00 O ATOM 200 CB PRO A 16 -19.935 -7.053 -9.450 1.00 0.00 C ATOM 201 CG PRO A 16 -19.437 -7.864 -8.291 1.00 0.00 C ATOM 202 CD PRO A 16 -18.114 -8.479 -8.673 1.00 0.00 C ATOM 0 HA PRO A 16 -19.201 -7.745 -11.414 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -20.087 -6.014 -9.157 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -20.897 -7.429 -9.799 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -19.322 -7.234 -7.409 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -20.157 -8.642 -8.035 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -17.371 -8.341 -7.888 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -18.208 -9.552 -8.839 1.00 0.00 H new ATOM 210 N PRO A 17 -19.532 -5.173 -11.841 1.00 0.00 N ATOM 211 CA PRO A 17 -19.365 -3.850 -12.453 1.00 0.00 C ATOM 212 C PRO A 17 -18.801 -2.804 -11.490 1.00 0.00 C ATOM 213 O PRO A 17 -17.713 -2.278 -11.711 1.00 0.00 O ATOM 214 CB PRO A 17 -20.786 -3.479 -12.882 1.00 0.00 C ATOM 215 CG PRO A 17 -21.466 -4.786 -13.107 1.00 0.00 C ATOM 216 CD PRO A 17 -20.860 -5.750 -12.125 1.00 0.00 C ATOM 0 HA PRO A 17 -18.645 -3.876 -13.271 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -21.293 -2.896 -12.113 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -20.781 -2.874 -13.789 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -22.541 -4.697 -12.952 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -21.319 -5.130 -14.131 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -21.463 -5.832 -11.220 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -20.779 -6.752 -12.546 1.00 0.00 H new ATOM 224 N GLN A 18 -19.556 -2.488 -10.441 1.00 0.00 N ATOM 225 CA GLN A 18 -19.138 -1.482 -9.456 1.00 0.00 C ATOM 226 C GLN A 18 -18.000 -1.971 -8.574 1.00 0.00 C ATOM 227 O GLN A 18 -17.308 -1.165 -7.950 1.00 0.00 O ATOM 228 CB GLN A 18 -20.328 -1.077 -8.589 1.00 0.00 C ATOM 229 CG GLN A 18 -20.893 -2.227 -7.772 1.00 0.00 C ATOM 230 CD GLN A 18 -22.349 -2.499 -8.086 1.00 0.00 C ATOM 231 OE1 GLN A 18 -23.243 -1.825 -7.576 1.00 0.00 O ATOM 232 NE2 GLN A 18 -22.593 -3.492 -8.935 1.00 0.00 N ATOM 0 H GLN A 18 -20.463 -2.912 -10.247 1.00 0.00 H new ATOM 0 HA GLN A 18 -18.771 -0.619 -10.011 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -20.022 -0.277 -7.915 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -21.114 -0.673 -9.228 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -20.309 -3.127 -7.964 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -20.789 -2.000 -6.711 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -21.819 -4.024 -9.333 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -23.554 -3.722 -9.188 1.00 0.00 H new ATOM 241 N GLU A 19 -17.784 -3.276 -8.531 1.00 0.00 N ATOM 242 CA GLU A 19 -16.697 -3.829 -7.732 1.00 0.00 C ATOM 243 C GLU A 19 -15.417 -3.832 -8.556 1.00 0.00 C ATOM 244 O GLU A 19 -14.623 -4.770 -8.505 1.00 0.00 O ATOM 245 CB GLU A 19 -17.036 -5.246 -7.261 1.00 0.00 C ATOM 246 CG GLU A 19 -18.147 -5.297 -6.224 1.00 0.00 C ATOM 247 CD GLU A 19 -17.654 -5.018 -4.820 1.00 0.00 C ATOM 248 OE1 GLU A 19 -16.591 -5.559 -4.447 1.00 0.00 O ATOM 249 OE2 GLU A 19 -18.332 -4.262 -4.093 1.00 0.00 O ATOM 0 H GLU A 19 -18.340 -3.968 -9.034 1.00 0.00 H new ATOM 0 HA GLU A 19 -16.554 -3.209 -6.847 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -17.328 -5.846 -8.123 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -16.140 -5.704 -6.843 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -18.915 -4.569 -6.485 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -18.617 -6.280 -6.250 1.00 0.00 H new ATOM 256 N GLN A 20 -15.203 -2.736 -9.279 1.00 0.00 N ATOM 257 CA GLN A 20 -13.996 -2.565 -10.081 1.00 0.00 C ATOM 258 C GLN A 20 -12.793 -2.363 -9.167 1.00 0.00 C ATOM 259 O GLN A 20 -12.066 -3.300 -8.840 1.00 0.00 O ATOM 260 CB GLN A 20 -14.118 -1.387 -11.074 1.00 0.00 C ATOM 261 CG GLN A 20 -15.387 -0.560 -10.931 1.00 0.00 C ATOM 262 CD GLN A 20 -15.615 0.363 -12.112 1.00 0.00 C ATOM 263 OE1 GLN A 20 -14.720 1.326 -12.287 1.00 0.00 O flip ATOM 264 NE2 GLN A 20 -16.583 0.210 -12.856 1.00 0.00 N flip ATOM 0 H GLN A 20 -15.852 -1.951 -9.326 1.00 0.00 H new ATOM 0 HA GLN A 20 -13.860 -3.471 -10.671 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -13.257 -0.731 -10.945 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -14.070 -1.780 -12.090 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -16.242 -1.228 -10.826 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -15.330 0.032 -10.017 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -17.246 -0.546 -12.682 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -16.723 0.839 -13.647 1.00 0.00 H new ATOM 273 N LYS A 21 -12.614 -1.112 -8.752 1.00 0.00 N ATOM 274 CA LYS A 21 -11.526 -0.723 -7.857 1.00 0.00 C ATOM 275 C LYS A 21 -11.849 -1.080 -6.411 1.00 0.00 C ATOM 276 O LYS A 21 -11.237 -0.556 -5.482 1.00 0.00 O ATOM 277 CB LYS A 21 -11.268 0.776 -7.975 1.00 0.00 C ATOM 278 CG LYS A 21 -11.471 1.299 -9.382 1.00 0.00 C ATOM 279 CD LYS A 21 -10.261 1.025 -10.258 1.00 0.00 C ATOM 280 CE LYS A 21 -10.651 0.918 -11.722 1.00 0.00 C ATOM 281 NZ LYS A 21 -11.299 2.165 -12.219 1.00 0.00 N ATOM 0 H LYS A 21 -13.219 -0.338 -9.026 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.631 -1.271 -8.152 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.933 1.309 -7.295 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.248 0.990 -7.657 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.353 0.832 -9.821 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.662 2.372 -9.349 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -9.530 1.824 -10.132 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.781 0.100 -9.939 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.764 0.707 -12.319 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.332 0.077 -11.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.442 2.096 -13.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.218 2.289 -11.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.689 2.981 -12.008 1.00 0.00 H new ATOM 295 N GLN A 22 -12.810 -1.975 -6.228 1.00 0.00 N ATOM 296 CA GLN A 22 -13.217 -2.401 -4.892 1.00 0.00 C ATOM 297 C GLN A 22 -12.086 -3.125 -4.176 1.00 0.00 C ATOM 298 O GLN A 22 -11.717 -2.761 -3.060 1.00 0.00 O ATOM 299 CB GLN A 22 -14.451 -3.306 -4.961 1.00 0.00 C ATOM 300 CG GLN A 22 -15.675 -2.727 -4.264 1.00 0.00 C ATOM 301 CD GLN A 22 -15.950 -3.375 -2.921 1.00 0.00 C ATOM 302 OE1 GLN A 22 -15.271 -4.321 -2.524 1.00 0.00 O ATOM 303 NE2 GLN A 22 -16.952 -2.861 -2.212 1.00 0.00 N ATOM 0 H GLN A 22 -13.324 -2.422 -6.987 1.00 0.00 H new ATOM 0 HA GLN A 22 -13.467 -1.504 -4.325 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -14.694 -3.494 -6.007 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -14.210 -4.269 -4.512 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -15.534 -1.655 -4.123 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -16.546 -2.852 -4.907 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -17.488 -2.076 -2.582 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -17.184 -3.252 -1.299 1.00 0.00 H new ATOM 312 N MET A 23 -11.542 -4.154 -4.809 1.00 0.00 N ATOM 313 CA MET A 23 -10.459 -4.913 -4.204 1.00 0.00 C ATOM 314 C MET A 23 -9.189 -4.060 -4.091 1.00 0.00 C ATOM 315 O MET A 23 -8.989 -3.378 -3.088 1.00 0.00 O ATOM 316 CB MET A 23 -10.194 -6.196 -5.001 1.00 0.00 C ATOM 317 CG MET A 23 -11.452 -6.978 -5.337 1.00 0.00 C ATOM 318 SD MET A 23 -11.190 -8.762 -5.305 1.00 0.00 S ATOM 319 CE MET A 23 -11.700 -9.157 -3.634 1.00 0.00 C ATOM 0 H MET A 23 -11.829 -4.480 -5.732 1.00 0.00 H new ATOM 0 HA MET A 23 -10.759 -5.195 -3.195 1.00 0.00 H new ATOM 0 HB2 MET A 23 -9.679 -5.938 -5.927 1.00 0.00 H new ATOM 0 HB3 MET A 23 -9.521 -6.836 -4.430 1.00 0.00 H new ATOM 0 HG2 MET A 23 -12.238 -6.717 -4.628 1.00 0.00 H new ATOM 0 HG3 MET A 23 -11.805 -6.684 -6.326 1.00 0.00 H new ATOM 0 HE1 MET A 23 -11.594 -10.229 -3.465 1.00 0.00 H new ATOM 0 HE2 MET A 23 -11.075 -8.614 -2.925 1.00 0.00 H new ATOM 0 HE3 MET A 23 -12.742 -8.869 -3.494 1.00 0.00 H new ATOM 329 N LEU A 24 -8.335 -4.116 -5.114 1.00 0.00 N ATOM 330 CA LEU A 24 -7.074 -3.362 -5.130 1.00 0.00 C ATOM 331 C LEU A 24 -7.302 -1.849 -5.091 1.00 0.00 C ATOM 332 O LEU A 24 -6.912 -1.143 -6.022 1.00 0.00 O ATOM 333 CB LEU A 24 -6.235 -3.716 -6.377 1.00 0.00 C ATOM 334 CG LEU A 24 -6.712 -4.906 -7.214 1.00 0.00 C ATOM 335 CD1 LEU A 24 -7.780 -4.464 -8.204 1.00 0.00 C ATOM 336 CD2 LEU A 24 -5.535 -5.540 -7.947 1.00 0.00 C ATOM 0 H LEU A 24 -8.493 -4.679 -5.950 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.532 -3.650 -4.229 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.199 -2.839 -7.023 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.213 -3.916 -6.054 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.148 -5.650 -6.547 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.109 -5.321 -8.791 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.629 -4.049 -7.662 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.368 -3.705 -8.869 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.887 -6.385 -8.539 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.076 -4.802 -8.605 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.799 -5.887 -7.222 1.00 0.00 H new ATOM 348 N GLY A 25 -7.920 -1.344 -4.017 1.00 0.00 N ATOM 349 CA GLY A 25 -8.168 0.088 -3.909 1.00 0.00 C ATOM 350 C GLY A 25 -8.383 0.720 -5.265 1.00 0.00 C ATOM 351 O GLY A 25 -8.960 0.091 -6.152 1.00 0.00 O ATOM 0 H GLY A 25 -8.250 -1.898 -3.227 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.044 0.260 -3.284 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.324 0.568 -3.413 1.00 0.00 H new ATOM 355 N GLU A 26 -7.890 1.936 -5.461 1.00 0.00 N ATOM 356 CA GLU A 26 -8.018 2.565 -6.763 1.00 0.00 C ATOM 357 C GLU A 26 -7.045 1.880 -7.729 1.00 0.00 C ATOM 358 O GLU A 26 -7.430 0.990 -8.486 1.00 0.00 O ATOM 359 CB GLU A 26 -7.768 4.087 -6.711 1.00 0.00 C ATOM 360 CG GLU A 26 -7.627 4.678 -5.307 1.00 0.00 C ATOM 361 CD GLU A 26 -7.940 6.162 -5.269 1.00 0.00 C ATOM 362 OE1 GLU A 26 -7.308 6.922 -6.033 1.00 0.00 O ATOM 363 OE2 GLU A 26 -8.816 6.565 -4.477 1.00 0.00 O ATOM 0 H GLU A 26 -7.410 2.492 -4.753 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.044 2.442 -7.111 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.861 4.309 -7.274 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.590 4.591 -7.219 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.295 4.151 -4.625 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.611 4.515 -4.947 1.00 0.00 H new ATOM 370 N ARG A 27 -5.786 2.308 -7.692 1.00 0.00 N ATOM 371 CA ARG A 27 -4.749 1.744 -8.560 1.00 0.00 C ATOM 372 C ARG A 27 -3.379 1.731 -7.880 1.00 0.00 C ATOM 373 O ARG A 27 -2.338 1.627 -8.539 1.00 0.00 O ATOM 374 CB ARG A 27 -4.670 2.533 -9.863 1.00 0.00 C ATOM 375 CG ARG A 27 -4.570 1.642 -11.085 1.00 0.00 C ATOM 376 CD ARG A 27 -5.878 0.921 -11.358 1.00 0.00 C ATOM 377 NE ARG A 27 -6.419 1.276 -12.665 1.00 0.00 N ATOM 378 CZ ARG A 27 -7.206 0.485 -13.387 1.00 0.00 C ATOM 379 NH1 ARG A 27 -7.567 -0.709 -12.931 1.00 0.00 N ATOM 380 NH2 ARG A 27 -7.635 0.896 -14.571 1.00 0.00 N ATOM 0 H ARG A 27 -5.456 3.045 -7.069 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.026 0.711 -8.771 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.552 3.167 -9.953 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.804 3.195 -9.830 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.297 2.242 -11.953 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -3.774 0.911 -10.939 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.718 -0.156 -11.309 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.602 1.172 -10.583 1.00 0.00 H new ATOM 0 HE ARG A 27 -6.178 2.190 -13.049 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -7.240 -1.027 -12.019 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -8.171 -1.308 -13.493 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -7.361 1.814 -14.922 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -8.239 0.295 -15.131 1.00 0.00 H new ATOM 394 N LEU A 28 -3.388 1.828 -6.561 1.00 0.00 N ATOM 395 CA LEU A 28 -2.164 1.830 -5.774 1.00 0.00 C ATOM 396 C LEU A 28 -1.571 0.432 -5.633 1.00 0.00 C ATOM 397 O LEU A 28 -0.367 0.238 -5.794 1.00 0.00 O ATOM 398 CB LEU A 28 -2.468 2.383 -4.393 1.00 0.00 C ATOM 399 CG LEU A 28 -2.079 3.833 -4.170 1.00 0.00 C ATOM 400 CD1 LEU A 28 -3.053 4.486 -3.201 1.00 0.00 C ATOM 401 CD2 LEU A 28 -0.655 3.917 -3.651 1.00 0.00 C ATOM 0 H LEU A 28 -4.240 1.907 -6.006 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.432 2.451 -6.291 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.537 2.279 -4.206 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.954 1.769 -3.654 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.126 4.369 -5.118 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.768 5.527 -3.045 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.061 4.443 -3.614 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.029 3.957 -2.249 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.386 4.962 -3.494 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.579 3.377 -2.707 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.024 3.472 -4.378 1.00 0.00 H new ATOM 413 N PHE A 29 -2.422 -0.535 -5.319 1.00 0.00 N ATOM 414 CA PHE A 29 -1.981 -1.912 -5.145 1.00 0.00 C ATOM 415 C PHE A 29 -1.095 -2.355 -6.309 1.00 0.00 C ATOM 416 O PHE A 29 -0.008 -2.893 -6.101 1.00 0.00 O ATOM 417 CB PHE A 29 -3.193 -2.830 -5.008 1.00 0.00 C ATOM 418 CG PHE A 29 -2.998 -4.032 -4.118 1.00 0.00 C ATOM 419 CD1 PHE A 29 -1.931 -4.140 -3.224 1.00 0.00 C ATOM 420 CD2 PHE A 29 -3.909 -5.073 -4.188 1.00 0.00 C ATOM 421 CE1 PHE A 29 -1.800 -5.269 -2.435 1.00 0.00 C ATOM 422 CE2 PHE A 29 -3.772 -6.191 -3.401 1.00 0.00 C ATOM 423 CZ PHE A 29 -2.720 -6.290 -2.526 1.00 0.00 C ATOM 0 H PHE A 29 -3.422 -0.391 -5.179 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.386 -1.975 -4.234 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -4.028 -2.245 -4.622 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.478 -3.177 -6.001 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.207 -3.342 -3.148 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.741 -5.005 -4.873 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.973 -5.350 -1.745 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.493 -6.992 -3.471 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.613 -7.169 -1.908 1.00 0.00 H new ATOM 433 N PRO A 30 -1.537 -2.109 -7.552 1.00 0.00 N ATOM 434 CA PRO A 30 -0.764 -2.463 -8.743 1.00 0.00 C ATOM 435 C PRO A 30 0.611 -1.799 -8.748 1.00 0.00 C ATOM 436 O PRO A 30 1.621 -2.446 -9.020 1.00 0.00 O ATOM 437 CB PRO A 30 -1.608 -1.921 -9.906 1.00 0.00 C ATOM 438 CG PRO A 30 -2.979 -1.735 -9.354 1.00 0.00 C ATOM 439 CD PRO A 30 -2.809 -1.452 -7.889 1.00 0.00 C ATOM 0 HA PRO A 30 -0.579 -3.536 -8.799 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.204 -0.979 -10.278 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -1.614 -2.618 -10.744 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.490 -0.911 -9.852 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.585 -2.627 -9.510 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.772 -0.381 -7.690 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.636 -1.856 -7.305 1.00 0.00 H new ATOM 447 N LEU A 31 0.640 -0.496 -8.467 1.00 0.00 N ATOM 448 CA LEU A 31 1.898 0.252 -8.463 1.00 0.00 C ATOM 449 C LEU A 31 2.789 -0.149 -7.289 1.00 0.00 C ATOM 450 O LEU A 31 4.002 -0.361 -7.440 1.00 0.00 O ATOM 451 CB LEU A 31 1.611 1.753 -8.432 1.00 0.00 C ATOM 452 CG LEU A 31 0.585 2.216 -9.470 1.00 0.00 C ATOM 453 CD1 LEU A 31 -0.007 3.565 -9.095 1.00 0.00 C ATOM 454 CD2 LEU A 31 1.219 2.277 -10.851 1.00 0.00 C ATOM 0 H LEU A 31 -0.185 0.060 -8.241 1.00 0.00 H new ATOM 0 HA LEU A 31 2.438 0.009 -9.378 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.253 2.023 -7.438 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.544 2.294 -8.593 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.227 1.489 -9.489 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.732 3.867 -9.851 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.503 3.489 -8.127 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.788 4.308 -9.038 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.477 2.608 -11.578 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.052 2.979 -10.838 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.583 1.288 -11.128 1.00 0.00 H new ATOM 466 N ILE A 32 2.185 -0.291 -6.125 1.00 0.00 N ATOM 467 CA ILE A 32 2.932 -0.695 -4.955 1.00 0.00 C ATOM 468 C ILE A 32 3.407 -2.125 -5.137 1.00 0.00 C ATOM 469 O ILE A 32 4.555 -2.445 -4.847 1.00 0.00 O ATOM 470 CB ILE A 32 2.098 -0.565 -3.672 1.00 0.00 C ATOM 471 CG1 ILE A 32 2.993 -0.710 -2.437 1.00 0.00 C ATOM 472 CG2 ILE A 32 0.978 -1.588 -3.670 1.00 0.00 C ATOM 473 CD1 ILE A 32 3.572 -2.090 -2.256 1.00 0.00 C ATOM 0 H ILE A 32 1.190 -0.134 -5.967 1.00 0.00 H new ATOM 0 HA ILE A 32 3.790 -0.031 -4.847 1.00 0.00 H new ATOM 0 HB ILE A 32 1.646 0.426 -3.639 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.809 0.009 -2.507 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.415 -0.451 -1.550 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.394 -1.486 -2.755 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.333 -1.423 -4.533 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.401 -2.591 -3.720 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.193 -2.109 -1.360 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.763 -2.813 -2.153 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.179 -2.347 -3.124 1.00 0.00 H new ATOM 485 N GLN A 33 2.524 -2.978 -5.653 1.00 0.00 N ATOM 486 CA GLN A 33 2.876 -4.368 -5.911 1.00 0.00 C ATOM 487 C GLN A 33 4.255 -4.437 -6.564 1.00 0.00 C ATOM 488 O GLN A 33 5.089 -5.270 -6.207 1.00 0.00 O ATOM 489 CB GLN A 33 1.843 -5.022 -6.833 1.00 0.00 C ATOM 490 CG GLN A 33 0.645 -5.607 -6.103 1.00 0.00 C ATOM 491 CD GLN A 33 0.431 -7.075 -6.421 1.00 0.00 C ATOM 492 OE1 GLN A 33 -0.679 -7.494 -6.749 1.00 0.00 O ATOM 493 NE2 GLN A 33 1.496 -7.863 -6.328 1.00 0.00 N ATOM 0 H GLN A 33 1.565 -2.731 -5.899 1.00 0.00 H new ATOM 0 HA GLN A 33 2.891 -4.904 -4.962 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.492 -4.281 -7.551 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.330 -5.813 -7.403 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.785 -5.488 -5.029 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.250 -5.046 -6.372 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.397 -7.472 -6.052 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.413 -8.859 -6.532 1.00 0.00 H new ATOM 502 N ALA A 34 4.475 -3.546 -7.532 1.00 0.00 N ATOM 503 CA ALA A 34 5.736 -3.480 -8.266 1.00 0.00 C ATOM 504 C ALA A 34 6.921 -3.225 -7.349 1.00 0.00 C ATOM 505 O ALA A 34 8.030 -3.697 -7.602 1.00 0.00 O ATOM 506 CB ALA A 34 5.664 -2.407 -9.339 1.00 0.00 C ATOM 0 H ALA A 34 3.787 -2.854 -7.827 1.00 0.00 H new ATOM 0 HA ALA A 34 5.890 -4.452 -8.735 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.610 -2.368 -9.879 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.859 -2.642 -10.035 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.471 -1.440 -8.874 1.00 0.00 H new ATOM 512 N MET A 35 6.685 -2.467 -6.296 1.00 0.00 N ATOM 513 CA MET A 35 7.751 -2.135 -5.342 1.00 0.00 C ATOM 514 C MET A 35 7.699 -3.032 -4.104 1.00 0.00 C ATOM 515 O MET A 35 8.693 -3.662 -3.738 1.00 0.00 O ATOM 516 CB MET A 35 7.645 -0.672 -4.913 1.00 0.00 C ATOM 517 CG MET A 35 8.024 0.313 -6.011 1.00 0.00 C ATOM 518 SD MET A 35 9.487 1.286 -5.603 1.00 0.00 S ATOM 519 CE MET A 35 10.719 -0.007 -5.465 1.00 0.00 C ATOM 0 H MET A 35 5.774 -2.067 -6.071 1.00 0.00 H new ATOM 0 HA MET A 35 8.702 -2.301 -5.847 1.00 0.00 H new ATOM 0 HB2 MET A 35 6.624 -0.469 -4.591 1.00 0.00 H new ATOM 0 HB3 MET A 35 8.290 -0.507 -4.050 1.00 0.00 H new ATOM 0 HG2 MET A 35 8.203 -0.233 -6.937 1.00 0.00 H new ATOM 0 HG3 MET A 35 7.186 0.985 -6.195 1.00 0.00 H new ATOM 0 HE1 MET A 35 11.715 0.434 -5.500 1.00 0.00 H new ATOM 0 HE2 MET A 35 10.589 -0.535 -4.520 1.00 0.00 H new ATOM 0 HE3 MET A 35 10.604 -0.709 -6.291 1.00 0.00 H new ATOM 529 N HIS A 36 6.533 -3.102 -3.482 1.00 0.00 N ATOM 530 CA HIS A 36 6.331 -3.941 -2.303 1.00 0.00 C ATOM 531 C HIS A 36 7.231 -3.562 -1.125 1.00 0.00 C ATOM 532 O HIS A 36 7.759 -4.443 -0.445 1.00 0.00 O ATOM 533 CB HIS A 36 6.563 -5.409 -2.659 1.00 0.00 C ATOM 534 CG HIS A 36 5.312 -6.110 -3.066 1.00 0.00 C ATOM 535 ND1 HIS A 36 4.040 -5.664 -3.122 1.00 0.00 N flip ATOM 536 CD2 HIS A 36 5.274 -7.427 -3.467 1.00 0.00 C flip ATOM 537 CE1 HIS A 36 3.261 -6.708 -3.553 1.00 0.00 C flip ATOM 538 NE2 HIS A 36 4.029 -7.761 -3.756 1.00 0.00 N flip ATOM 0 H HIS A 36 5.704 -2.585 -3.774 1.00 0.00 H new ATOM 0 HA HIS A 36 5.301 -3.778 -1.986 1.00 0.00 H new ATOM 0 HB2 HIS A 36 7.289 -5.471 -3.470 1.00 0.00 H new ATOM 0 HB3 HIS A 36 6.999 -5.922 -1.801 1.00 0.00 H new ATOM 0 HD2 HIS A 36 6.128 -8.084 -3.535 1.00 0.00 H new ATOM 0 HE1 HIS A 36 2.192 -6.673 -3.702 1.00 0.00 H new ATOM 0 HE2 HIS A 36 3.716 -8.676 -4.080 1.00 0.00 H new ATOM 546 N PRO A 37 7.416 -2.265 -0.836 1.00 0.00 N ATOM 547 CA PRO A 37 8.246 -1.853 0.292 1.00 0.00 C ATOM 548 C PRO A 37 7.744 -2.462 1.598 1.00 0.00 C ATOM 549 O PRO A 37 8.352 -3.388 2.134 1.00 0.00 O ATOM 550 CB PRO A 37 8.118 -0.324 0.322 1.00 0.00 C ATOM 551 CG PRO A 37 6.949 0.001 -0.545 1.00 0.00 C ATOM 552 CD PRO A 37 6.833 -1.116 -1.544 1.00 0.00 C ATOM 0 HA PRO A 37 9.279 -2.185 0.184 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.963 0.036 1.339 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.025 0.152 -0.050 1.00 0.00 H new ATOM 0 HG2 PRO A 37 6.038 0.087 0.048 1.00 0.00 H new ATOM 0 HG3 PRO A 37 7.093 0.957 -1.048 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.796 -1.300 -1.823 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.375 -0.892 -2.463 1.00 0.00 H new ATOM 560 N THR A 38 6.646 -1.919 2.117 1.00 0.00 N ATOM 561 CA THR A 38 6.083 -2.399 3.380 1.00 0.00 C ATOM 562 C THR A 38 4.934 -3.369 3.133 1.00 0.00 C ATOM 563 O THR A 38 5.017 -4.545 3.490 1.00 0.00 O ATOM 564 CB THR A 38 5.603 -1.229 4.269 1.00 0.00 C ATOM 565 OG1 THR A 38 4.218 -0.989 4.100 1.00 0.00 O ATOM 566 CG2 THR A 38 6.314 0.087 4.020 1.00 0.00 C ATOM 0 H THR A 38 6.130 -1.151 1.687 1.00 0.00 H new ATOM 0 HA THR A 38 6.880 -2.924 3.907 1.00 0.00 H new ATOM 0 HB THR A 38 5.837 -1.560 5.281 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.812 -0.789 4.969 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.913 0.849 4.688 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.381 -0.035 4.208 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.160 0.394 2.985 1.00 0.00 H new ATOM 574 N LEU A 39 3.860 -2.872 2.529 1.00 0.00 N ATOM 575 CA LEU A 39 2.696 -3.702 2.246 1.00 0.00 C ATOM 576 C LEU A 39 1.842 -3.092 1.140 1.00 0.00 C ATOM 577 O LEU A 39 1.223 -2.048 1.329 1.00 0.00 O ATOM 578 CB LEU A 39 1.850 -3.877 3.507 1.00 0.00 C ATOM 579 CG LEU A 39 2.168 -5.115 4.348 1.00 0.00 C ATOM 580 CD1 LEU A 39 1.167 -5.248 5.485 1.00 0.00 C ATOM 581 CD2 LEU A 39 2.164 -6.372 3.487 1.00 0.00 C ATOM 0 H LEU A 39 3.772 -1.902 2.227 1.00 0.00 H new ATOM 0 HA LEU A 39 3.054 -4.676 1.912 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.974 -2.993 4.132 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.800 -3.917 3.216 1.00 0.00 H new ATOM 0 HG LEU A 39 3.166 -4.996 4.770 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.404 -6.133 6.076 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.217 -4.363 6.119 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.162 -5.344 5.075 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.393 -7.239 4.107 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.181 -6.499 3.034 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.916 -6.278 2.703 1.00 0.00 H new ATOM 593 N ALA A 40 1.801 -3.760 -0.007 1.00 0.00 N ATOM 594 CA ALA A 40 1.010 -3.304 -1.148 1.00 0.00 C ATOM 595 C ALA A 40 -0.438 -3.009 -0.764 1.00 0.00 C ATOM 596 O ALA A 40 -0.959 -1.940 -1.078 1.00 0.00 O ATOM 597 CB ALA A 40 1.095 -4.343 -2.264 1.00 0.00 C ATOM 0 H ALA A 40 2.311 -4.628 -0.174 1.00 0.00 H new ATOM 0 HA ALA A 40 1.425 -2.361 -1.504 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.507 -4.008 -3.118 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.135 -4.468 -2.566 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.704 -5.295 -1.905 1.00 0.00 H new ATOM 603 N GLY A 41 -1.091 -3.953 -0.105 1.00 0.00 N ATOM 604 CA GLY A 41 -2.480 -3.759 0.276 1.00 0.00 C ATOM 605 C GLY A 41 -2.693 -2.586 1.219 1.00 0.00 C ATOM 606 O GLY A 41 -3.693 -1.877 1.114 1.00 0.00 O ATOM 0 H GLY A 41 -0.689 -4.848 0.174 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.077 -3.605 -0.623 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.848 -4.668 0.751 1.00 0.00 H new ATOM 610 N LYS A 42 -1.769 -2.397 2.150 1.00 0.00 N ATOM 611 CA LYS A 42 -1.884 -1.314 3.121 1.00 0.00 C ATOM 612 C LYS A 42 -1.380 0.016 2.561 1.00 0.00 C ATOM 613 O LYS A 42 -1.972 1.065 2.818 1.00 0.00 O ATOM 614 CB LYS A 42 -1.157 -1.678 4.414 1.00 0.00 C ATOM 615 CG LYS A 42 -2.084 -2.281 5.458 1.00 0.00 C ATOM 616 CD LYS A 42 -1.679 -1.885 6.871 1.00 0.00 C ATOM 617 CE LYS A 42 -2.889 -1.578 7.749 1.00 0.00 C ATOM 618 NZ LYS A 42 -3.964 -0.863 7.002 1.00 0.00 N ATOM 0 H LYS A 42 -0.935 -2.975 2.255 1.00 0.00 H new ATOM 0 HA LYS A 42 -2.943 -1.182 3.343 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.359 -2.386 4.190 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.686 -0.785 4.825 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.106 -1.954 5.268 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.075 -3.367 5.368 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.100 -2.691 7.321 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.030 -1.010 6.830 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.288 -2.509 8.153 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.574 -0.971 8.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.523 -0.288 7.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.535 -0.245 6.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.584 -1.557 6.537 1.00 0.00 H new ATOM 632 N ILE A 43 -0.300 -0.022 1.779 1.00 0.00 N ATOM 633 CA ILE A 43 0.244 1.192 1.180 1.00 0.00 C ATOM 634 C ILE A 43 -0.864 1.940 0.451 1.00 0.00 C ATOM 635 O ILE A 43 -1.002 3.158 0.561 1.00 0.00 O ATOM 636 CB ILE A 43 1.391 0.862 0.184 1.00 0.00 C ATOM 637 CG1 ILE A 43 2.699 1.529 0.613 1.00 0.00 C ATOM 638 CG2 ILE A 43 1.036 1.275 -1.242 1.00 0.00 C ATOM 639 CD1 ILE A 43 3.691 0.567 1.237 1.00 0.00 C ATOM 0 H ILE A 43 0.210 -0.875 1.548 1.00 0.00 H new ATOM 0 HA ILE A 43 0.652 1.814 1.977 1.00 0.00 H new ATOM 0 HB ILE A 43 1.527 -0.219 0.199 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.159 2.001 -0.255 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.476 2.323 1.326 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.862 1.028 -1.909 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.140 0.743 -1.562 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.852 2.349 -1.275 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.595 1.108 1.517 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.249 0.114 2.124 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.943 -0.213 0.518 1.00 0.00 H new ATOM 651 N THR A 44 -1.638 1.176 -0.309 1.00 0.00 N ATOM 652 CA THR A 44 -2.738 1.702 -1.099 1.00 0.00 C ATOM 653 C THR A 44 -3.667 2.593 -0.287 1.00 0.00 C ATOM 654 O THR A 44 -3.917 3.738 -0.659 1.00 0.00 O ATOM 655 CB THR A 44 -3.542 0.537 -1.689 1.00 0.00 C ATOM 656 OG1 THR A 44 -2.693 -0.408 -2.315 1.00 0.00 O ATOM 657 CG2 THR A 44 -4.579 0.964 -2.702 1.00 0.00 C ATOM 0 H THR A 44 -1.517 0.167 -0.394 1.00 0.00 H new ATOM 0 HA THR A 44 -2.307 2.315 -1.890 1.00 0.00 H new ATOM 0 HB THR A 44 -4.056 0.097 -0.835 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.421 -1.086 -1.662 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.107 0.086 -3.075 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.290 1.642 -2.231 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.089 1.472 -3.532 1.00 0.00 H new ATOM 665 N GLY A 45 -4.173 2.081 0.826 1.00 0.00 N ATOM 666 CA GLY A 45 -5.063 2.877 1.647 1.00 0.00 C ATOM 667 C GLY A 45 -4.438 4.199 2.038 1.00 0.00 C ATOM 668 O GLY A 45 -5.133 5.192 2.250 1.00 0.00 O ATOM 0 H GLY A 45 -3.986 1.140 1.172 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.991 3.060 1.105 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.324 2.319 2.546 1.00 0.00 H new ATOM 672 N MET A 46 -3.117 4.210 2.121 1.00 0.00 N ATOM 673 CA MET A 46 -2.386 5.411 2.483 1.00 0.00 C ATOM 674 C MET A 46 -2.489 6.463 1.395 1.00 0.00 C ATOM 675 O MET A 46 -3.095 7.516 1.586 1.00 0.00 O ATOM 676 CB MET A 46 -0.916 5.082 2.753 1.00 0.00 C ATOM 677 CG MET A 46 -0.493 5.443 4.160 1.00 0.00 C ATOM 678 SD MET A 46 1.196 6.062 4.280 1.00 0.00 S ATOM 679 CE MET A 46 1.310 6.344 6.048 1.00 0.00 C ATOM 0 H MET A 46 -2.528 3.397 1.942 1.00 0.00 H new ATOM 0 HA MET A 46 -2.834 5.812 3.392 1.00 0.00 H new ATOM 0 HB2 MET A 46 -0.749 4.018 2.588 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.290 5.618 2.040 1.00 0.00 H new ATOM 0 HG2 MET A 46 -1.175 6.198 4.551 1.00 0.00 H new ATOM 0 HG3 MET A 46 -0.593 4.563 4.796 1.00 0.00 H new ATOM 0 HE1 MET A 46 2.306 6.070 6.397 1.00 0.00 H new ATOM 0 HE2 MET A 46 1.128 7.397 6.261 1.00 0.00 H new ATOM 0 HE3 MET A 46 0.565 5.736 6.562 1.00 0.00 H new ATOM 689 N LEU A 47 -1.862 6.183 0.262 1.00 0.00 N ATOM 690 CA LEU A 47 -1.857 7.129 -0.843 1.00 0.00 C ATOM 691 C LEU A 47 -3.279 7.435 -1.284 1.00 0.00 C ATOM 692 O LEU A 47 -3.513 8.438 -1.955 1.00 0.00 O ATOM 693 CB LEU A 47 -1.034 6.614 -2.038 1.00 0.00 C ATOM 694 CG LEU A 47 0.438 6.231 -1.783 1.00 0.00 C ATOM 695 CD1 LEU A 47 1.382 7.184 -2.495 1.00 0.00 C ATOM 696 CD2 LEU A 47 0.773 6.167 -0.304 1.00 0.00 C ATOM 0 H LEU A 47 -1.354 5.316 0.085 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.385 8.044 -0.485 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.543 5.739 -2.443 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.052 7.381 -2.813 1.00 0.00 H new ATOM 0 HG LEU A 47 0.573 5.230 -2.192 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.413 6.890 -2.298 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.194 7.149 -3.568 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.218 8.198 -2.131 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.821 5.893 -0.180 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.596 7.141 0.152 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.143 5.420 0.180 1.00 0.00 H new ATOM 708 N LEU A 48 -4.234 6.562 -0.943 1.00 0.00 N ATOM 709 CA LEU A 48 -5.628 6.759 -1.351 1.00 0.00 C ATOM 710 C LEU A 48 -6.208 8.080 -0.834 1.00 0.00 C ATOM 711 O LEU A 48 -7.418 8.296 -0.891 1.00 0.00 O ATOM 712 CB LEU A 48 -6.498 5.585 -0.878 1.00 0.00 C ATOM 713 CG LEU A 48 -7.199 4.798 -1.993 1.00 0.00 C ATOM 714 CD1 LEU A 48 -6.340 3.633 -2.444 1.00 0.00 C ATOM 715 CD2 LEU A 48 -8.557 4.293 -1.530 1.00 0.00 C ATOM 0 H LEU A 48 -4.069 5.720 -0.391 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.635 6.802 -2.440 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.873 4.897 -0.308 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.256 5.968 -0.194 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.349 5.473 -2.836 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.854 3.087 -3.235 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.388 4.007 -2.821 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.160 2.966 -1.601 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.034 3.738 -2.338 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.427 3.639 -0.668 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.184 5.140 -1.252 1.00 0.00 H new ATOM 727 N GLU A 49 -5.347 8.980 -0.367 1.00 0.00 N ATOM 728 CA GLU A 49 -5.792 10.278 0.107 1.00 0.00 C ATOM 729 C GLU A 49 -6.124 11.181 -1.077 1.00 0.00 C ATOM 730 O GLU A 49 -6.579 12.310 -0.895 1.00 0.00 O ATOM 731 CB GLU A 49 -4.703 10.940 0.957 1.00 0.00 C ATOM 732 CG GLU A 49 -3.382 11.105 0.221 1.00 0.00 C ATOM 733 CD GLU A 49 -2.691 12.418 0.537 1.00 0.00 C ATOM 734 OE1 GLU A 49 -2.836 12.907 1.678 1.00 0.00 O ATOM 735 OE2 GLU A 49 -2.005 12.958 -0.357 1.00 0.00 O ATOM 0 H GLU A 49 -4.340 8.831 -0.309 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.683 10.133 0.717 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.053 11.919 1.285 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.539 10.343 1.854 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.720 10.280 0.483 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.560 11.043 -0.853 1.00 0.00 H new ATOM 742 N ILE A 50 -5.870 10.687 -2.294 1.00 0.00 N ATOM 743 CA ILE A 50 -6.120 11.464 -3.498 1.00 0.00 C ATOM 744 C ILE A 50 -7.307 10.923 -4.304 1.00 0.00 C ATOM 745 O ILE A 50 -7.870 9.875 -3.988 1.00 0.00 O ATOM 746 CB ILE A 50 -4.847 11.531 -4.373 1.00 0.00 C ATOM 747 CG1 ILE A 50 -4.722 12.908 -5.025 1.00 0.00 C ATOM 748 CG2 ILE A 50 -4.825 10.422 -5.420 1.00 0.00 C ATOM 749 CD1 ILE A 50 -3.511 13.686 -4.557 1.00 0.00 C ATOM 0 H ILE A 50 -5.493 9.755 -2.464 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.384 12.473 -3.182 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.985 11.376 -3.724 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.671 12.786 -6.107 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.621 13.486 -4.811 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.916 10.502 -6.015 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.850 9.452 -4.923 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.694 10.519 -6.071 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.483 14.653 -5.059 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.571 13.838 -3.479 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.606 13.128 -4.795 1.00 0.00 H new ATOM 761 N ASP A 51 -7.657 11.653 -5.359 1.00 0.00 N ATOM 762 CA ASP A 51 -8.746 11.273 -6.257 1.00 0.00 C ATOM 763 C ASP A 51 -8.358 10.117 -7.180 1.00 0.00 C ATOM 764 O ASP A 51 -7.213 10.022 -7.622 1.00 0.00 O ATOM 765 CB ASP A 51 -9.180 12.479 -7.089 1.00 0.00 C ATOM 766 CG ASP A 51 -10.361 13.204 -6.475 1.00 0.00 C ATOM 767 OD1 ASP A 51 -10.160 13.930 -5.479 1.00 0.00 O ATOM 768 OD2 ASP A 51 -11.488 13.046 -6.991 1.00 0.00 O ATOM 0 H ASP A 51 -7.194 12.525 -5.617 1.00 0.00 H new ATOM 0 HA ASP A 51 -9.576 10.933 -5.637 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.343 13.170 -7.188 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -9.441 12.149 -8.095 1.00 0.00 H new ATOM 773 N ASN A 52 -9.330 9.265 -7.503 1.00 0.00 N ATOM 774 CA ASN A 52 -9.094 8.143 -8.418 1.00 0.00 C ATOM 775 C ASN A 52 -8.369 8.626 -9.684 1.00 0.00 C ATOM 776 O ASN A 52 -7.704 7.847 -10.367 1.00 0.00 O ATOM 777 CB ASN A 52 -10.435 7.488 -8.796 1.00 0.00 C ATOM 778 CG ASN A 52 -10.329 6.489 -9.944 1.00 0.00 C ATOM 779 OD1 ASN A 52 -10.069 5.222 -9.617 1.00 0.00 O flip ATOM 780 ND2 ASN A 52 -10.487 6.851 -11.111 1.00 0.00 N flip ATOM 0 H ASN A 52 -10.284 9.327 -7.148 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.464 7.408 -7.917 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -10.840 6.980 -7.921 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -11.146 8.268 -9.070 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -10.684 7.830 -11.319 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -10.420 6.172 -11.869 1.00 0.00 H new ATOM 787 N SER A 53 -8.527 9.914 -10.001 1.00 0.00 N ATOM 788 CA SER A 53 -7.916 10.504 -11.194 1.00 0.00 C ATOM 789 C SER A 53 -6.404 10.694 -11.051 1.00 0.00 C ATOM 790 O SER A 53 -5.672 10.647 -12.042 1.00 0.00 O ATOM 791 CB SER A 53 -8.575 11.850 -11.506 1.00 0.00 C ATOM 792 OG SER A 53 -8.362 12.223 -12.858 1.00 0.00 O ATOM 0 H SER A 53 -9.075 10.570 -9.445 1.00 0.00 H new ATOM 0 HA SER A 53 -8.079 9.805 -12.014 1.00 0.00 H new ATOM 0 HB2 SER A 53 -9.645 11.789 -11.307 1.00 0.00 H new ATOM 0 HB3 SER A 53 -8.171 12.618 -10.846 1.00 0.00 H new ATOM 0 HG SER A 53 -8.794 13.085 -13.031 1.00 0.00 H new ATOM 798 N GLU A 54 -5.936 10.915 -9.830 1.00 0.00 N ATOM 799 CA GLU A 54 -4.510 11.123 -9.596 1.00 0.00 C ATOM 800 C GLU A 54 -3.743 9.811 -9.684 1.00 0.00 C ATOM 801 O GLU A 54 -2.675 9.749 -10.292 1.00 0.00 O ATOM 802 CB GLU A 54 -4.280 11.767 -8.229 1.00 0.00 C ATOM 803 CG GLU A 54 -3.553 13.101 -8.299 1.00 0.00 C ATOM 804 CD GLU A 54 -2.263 13.019 -9.091 1.00 0.00 C ATOM 805 OE1 GLU A 54 -1.381 12.221 -8.705 1.00 0.00 O ATOM 806 OE2 GLU A 54 -2.135 13.749 -10.094 1.00 0.00 O ATOM 0 H GLU A 54 -6.516 10.955 -8.992 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.140 11.792 -10.372 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.243 11.913 -7.739 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.705 11.082 -7.606 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.208 13.844 -8.754 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.334 13.445 -7.288 1.00 0.00 H new ATOM 813 N LEU A 55 -4.288 8.764 -9.079 1.00 0.00 N ATOM 814 CA LEU A 55 -3.642 7.459 -9.103 1.00 0.00 C ATOM 815 C LEU A 55 -3.502 6.955 -10.535 1.00 0.00 C ATOM 816 O LEU A 55 -2.520 6.296 -10.878 1.00 0.00 O ATOM 817 CB LEU A 55 -4.431 6.458 -8.260 1.00 0.00 C ATOM 818 CG LEU A 55 -3.861 6.211 -6.865 1.00 0.00 C ATOM 819 CD1 LEU A 55 -4.243 7.342 -5.930 1.00 0.00 C ATOM 820 CD2 LEU A 55 -4.350 4.887 -6.319 1.00 0.00 C ATOM 0 H LEU A 55 -5.171 8.792 -8.569 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.644 7.562 -8.676 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.456 6.815 -8.161 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.474 5.509 -8.794 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.774 6.173 -6.938 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.829 7.151 -4.940 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.846 8.282 -6.314 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.329 7.408 -5.863 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.934 4.728 -5.324 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.438 4.898 -6.260 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.031 4.081 -6.979 1.00 0.00 H new ATOM 832 N LEU A 56 -4.484 7.280 -11.371 1.00 0.00 N ATOM 833 CA LEU A 56 -4.460 6.873 -12.769 1.00 0.00 C ATOM 834 C LEU A 56 -3.330 7.585 -13.506 1.00 0.00 C ATOM 835 O LEU A 56 -2.746 7.048 -14.450 1.00 0.00 O ATOM 836 CB LEU A 56 -5.804 7.177 -13.438 1.00 0.00 C ATOM 837 CG LEU A 56 -6.952 6.240 -13.049 1.00 0.00 C ATOM 838 CD1 LEU A 56 -8.297 6.867 -13.392 1.00 0.00 C ATOM 839 CD2 LEU A 56 -6.803 4.890 -13.739 1.00 0.00 C ATOM 0 H LEU A 56 -5.305 7.823 -11.103 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.286 5.798 -12.815 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.091 8.199 -13.192 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.672 7.134 -14.519 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.910 6.081 -11.971 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -9.099 6.186 -13.108 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.409 7.806 -12.850 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.346 7.059 -14.464 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.629 4.240 -13.449 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.814 5.031 -14.820 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.859 4.432 -13.443 1.00 0.00 H new ATOM 851 N HIS A 57 -3.017 8.796 -13.056 1.00 0.00 N ATOM 852 CA HIS A 57 -1.946 9.577 -13.662 1.00 0.00 C ATOM 853 C HIS A 57 -0.603 8.886 -13.449 1.00 0.00 C ATOM 854 O HIS A 57 0.269 8.921 -14.314 1.00 0.00 O ATOM 855 CB HIS A 57 -1.905 10.990 -13.076 1.00 0.00 C ATOM 856 CG HIS A 57 -3.113 11.812 -13.402 1.00 0.00 C ATOM 857 ND1 HIS A 57 -4.083 11.407 -14.293 1.00 0.00 N ATOM 858 CD2 HIS A 57 -3.505 13.028 -12.951 1.00 0.00 C ATOM 859 CE1 HIS A 57 -5.020 12.333 -14.378 1.00 0.00 C ATOM 860 NE2 HIS A 57 -4.691 13.328 -13.572 1.00 0.00 N ATOM 0 H HIS A 57 -3.488 9.256 -12.277 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.143 9.652 -14.732 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -1.804 10.922 -11.993 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -1.017 11.502 -13.447 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -2.982 13.646 -12.236 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -5.903 12.286 -14.999 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -5.232 14.182 -13.434 1.00 0.00 H new ATOM 868 N MET A 58 -0.447 8.256 -12.288 1.00 0.00 N ATOM 869 CA MET A 58 0.788 7.554 -11.955 1.00 0.00 C ATOM 870 C MET A 58 1.048 6.403 -12.922 1.00 0.00 C ATOM 871 O MET A 58 2.179 6.180 -13.351 1.00 0.00 O ATOM 872 CB MET A 58 0.718 7.021 -10.525 1.00 0.00 C ATOM 873 CG MET A 58 0.617 8.113 -9.476 1.00 0.00 C ATOM 874 SD MET A 58 0.989 7.520 -7.816 1.00 0.00 S ATOM 875 CE MET A 58 -0.527 6.666 -7.409 1.00 0.00 C ATOM 0 H MET A 58 -1.162 8.217 -11.561 1.00 0.00 H new ATOM 0 HA MET A 58 1.611 8.264 -12.039 1.00 0.00 H new ATOM 0 HB2 MET A 58 -0.144 6.360 -10.434 1.00 0.00 H new ATOM 0 HB3 MET A 58 1.604 6.418 -10.327 1.00 0.00 H new ATOM 0 HG2 MET A 58 1.303 8.921 -9.731 1.00 0.00 H new ATOM 0 HG3 MET A 58 -0.389 8.533 -9.490 1.00 0.00 H new ATOM 0 HE1 MET A 58 -0.324 5.900 -6.661 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.250 7.378 -7.012 1.00 0.00 H new ATOM 0 HE3 MET A 58 -0.933 6.198 -8.306 1.00 0.00 H new ATOM 885 N LEU A 59 -0.008 5.669 -13.250 1.00 0.00 N ATOM 886 CA LEU A 59 0.105 4.529 -14.155 1.00 0.00 C ATOM 887 C LEU A 59 0.630 4.979 -15.507 1.00 0.00 C ATOM 888 O LEU A 59 1.332 4.235 -16.193 1.00 0.00 O ATOM 889 CB LEU A 59 -1.251 3.843 -14.348 1.00 0.00 C ATOM 890 CG LEU A 59 -2.327 4.173 -13.315 1.00 0.00 C ATOM 891 CD1 LEU A 59 -3.655 3.561 -13.730 1.00 0.00 C ATOM 892 CD2 LEU A 59 -1.903 3.686 -11.938 1.00 0.00 C ATOM 0 H LEU A 59 -0.952 5.841 -12.904 1.00 0.00 H new ATOM 0 HA LEU A 59 0.801 3.819 -13.708 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.631 4.107 -15.335 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.093 2.765 -14.345 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.453 5.255 -13.265 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.415 3.802 -12.987 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.954 3.963 -14.698 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.550 2.479 -13.803 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.679 3.928 -11.212 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.754 2.607 -11.964 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.972 4.174 -11.650 1.00 0.00 H new ATOM 904 N GLU A 60 0.289 6.201 -15.882 1.00 0.00 N ATOM 905 CA GLU A 60 0.736 6.753 -17.153 1.00 0.00 C ATOM 906 C GLU A 60 1.933 7.685 -16.962 1.00 0.00 C ATOM 907 O GLU A 60 2.441 8.256 -17.926 1.00 0.00 O ATOM 908 CB GLU A 60 -0.408 7.491 -17.851 1.00 0.00 C ATOM 909 CG GLU A 60 -1.008 8.622 -17.032 1.00 0.00 C ATOM 910 CD GLU A 60 -2.418 8.964 -17.466 1.00 0.00 C ATOM 911 OE1 GLU A 60 -3.100 8.079 -18.025 1.00 0.00 O ATOM 912 OE2 GLU A 60 -2.844 10.119 -17.247 1.00 0.00 O ATOM 0 H GLU A 60 -0.294 6.829 -15.328 1.00 0.00 H new ATOM 0 HA GLU A 60 1.053 5.923 -17.784 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.043 7.895 -18.795 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.194 6.775 -18.093 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.013 8.341 -15.979 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.378 9.507 -17.123 1.00 0.00 H new ATOM 919 N SER A 61 2.388 7.829 -15.716 1.00 0.00 N ATOM 920 CA SER A 61 3.533 8.685 -15.417 1.00 0.00 C ATOM 921 C SER A 61 4.395 8.081 -14.311 1.00 0.00 C ATOM 922 O SER A 61 4.216 8.394 -13.133 1.00 0.00 O ATOM 923 CB SER A 61 3.069 10.084 -15.006 1.00 0.00 C ATOM 924 OG SER A 61 3.009 10.951 -16.124 1.00 0.00 O ATOM 0 H SER A 61 1.982 7.366 -14.903 1.00 0.00 H new ATOM 0 HA SER A 61 4.134 8.762 -16.323 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.087 10.022 -14.537 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.752 10.493 -14.261 1.00 0.00 H new ATOM 0 HG SER A 61 2.708 11.838 -15.835 1.00 0.00 H new ATOM 930 N PRO A 62 5.346 7.206 -14.676 1.00 0.00 N ATOM 931 CA PRO A 62 6.239 6.560 -13.707 1.00 0.00 C ATOM 932 C PRO A 62 6.923 7.565 -12.784 1.00 0.00 C ATOM 933 O PRO A 62 7.097 7.312 -11.593 1.00 0.00 O ATOM 934 CB PRO A 62 7.273 5.858 -14.590 1.00 0.00 C ATOM 935 CG PRO A 62 6.574 5.626 -15.885 1.00 0.00 C ATOM 936 CD PRO A 62 5.626 6.779 -16.060 1.00 0.00 C ATOM 0 HA PRO A 62 5.697 5.887 -13.042 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.161 6.475 -14.725 1.00 0.00 H new ATOM 0 HB3 PRO A 62 7.602 4.919 -14.144 1.00 0.00 H new ATOM 0 HG2 PRO A 62 7.286 5.578 -16.709 1.00 0.00 H new ATOM 0 HG3 PRO A 62 6.036 4.678 -15.873 1.00 0.00 H new ATOM 0 HD2 PRO A 62 6.074 7.582 -16.645 1.00 0.00 H new ATOM 0 HD3 PRO A 62 4.716 6.476 -16.579 1.00 0.00 H new ATOM 944 N GLU A 63 7.308 8.705 -13.345 1.00 0.00 N ATOM 945 CA GLU A 63 7.976 9.755 -12.582 1.00 0.00 C ATOM 946 C GLU A 63 7.127 10.204 -11.395 1.00 0.00 C ATOM 947 O GLU A 63 7.586 10.202 -10.253 1.00 0.00 O ATOM 948 CB GLU A 63 8.278 10.952 -13.485 1.00 0.00 C ATOM 949 CG GLU A 63 7.098 11.375 -14.347 1.00 0.00 C ATOM 950 CD GLU A 63 6.432 12.647 -13.855 1.00 0.00 C ATOM 951 OE1 GLU A 63 6.986 13.297 -12.943 1.00 0.00 O ATOM 952 OE2 GLU A 63 5.352 12.991 -14.381 1.00 0.00 O ATOM 0 H GLU A 63 7.169 8.927 -14.331 1.00 0.00 H new ATOM 0 HA GLU A 63 8.910 9.346 -12.198 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.587 11.795 -12.867 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.120 10.706 -14.132 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.438 11.522 -15.372 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.363 10.571 -14.367 1.00 0.00 H new ATOM 959 N SER A 64 5.883 10.581 -11.673 1.00 0.00 N ATOM 960 CA SER A 64 4.969 11.022 -10.629 1.00 0.00 C ATOM 961 C SER A 64 4.527 9.832 -9.796 1.00 0.00 C ATOM 962 O SER A 64 4.249 9.955 -8.603 1.00 0.00 O ATOM 963 CB SER A 64 3.750 11.712 -11.243 1.00 0.00 C ATOM 964 OG SER A 64 3.110 12.551 -10.299 1.00 0.00 O ATOM 0 H SER A 64 5.486 10.589 -12.613 1.00 0.00 H new ATOM 0 HA SER A 64 5.486 11.736 -9.988 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.058 12.301 -12.107 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.046 10.961 -11.603 1.00 0.00 H new ATOM 0 HG SER A 64 2.335 12.982 -10.716 1.00 0.00 H new ATOM 970 N LEU A 65 4.452 8.681 -10.449 1.00 0.00 N ATOM 971 CA LEU A 65 4.031 7.458 -9.801 1.00 0.00 C ATOM 972 C LEU A 65 4.916 7.158 -8.600 1.00 0.00 C ATOM 973 O LEU A 65 4.424 7.033 -7.483 1.00 0.00 O ATOM 974 CB LEU A 65 4.070 6.308 -10.813 1.00 0.00 C ATOM 975 CG LEU A 65 4.046 4.885 -10.237 1.00 0.00 C ATOM 976 CD1 LEU A 65 5.448 4.448 -9.850 1.00 0.00 C ATOM 977 CD2 LEU A 65 3.105 4.783 -9.044 1.00 0.00 C ATOM 0 H LEU A 65 4.681 8.574 -11.437 1.00 0.00 H new ATOM 0 HA LEU A 65 3.010 7.574 -9.438 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.220 6.418 -11.486 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.971 6.416 -11.417 1.00 0.00 H new ATOM 0 HG LEU A 65 3.671 4.216 -11.012 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.415 3.437 -9.443 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.090 4.464 -10.731 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.847 5.129 -9.098 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.112 3.763 -8.661 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.434 5.467 -8.261 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.094 5.047 -9.354 1.00 0.00 H new ATOM 989 N ARG A 66 6.217 7.047 -8.824 1.00 0.00 N ATOM 990 CA ARG A 66 7.136 6.765 -7.728 1.00 0.00 C ATOM 991 C ARG A 66 7.122 7.880 -6.689 1.00 0.00 C ATOM 992 O ARG A 66 7.349 7.637 -5.506 1.00 0.00 O ATOM 993 CB ARG A 66 8.558 6.573 -8.254 1.00 0.00 C ATOM 994 CG ARG A 66 8.772 5.243 -8.954 1.00 0.00 C ATOM 995 CD ARG A 66 9.563 4.274 -8.090 1.00 0.00 C ATOM 996 NE ARG A 66 10.023 3.116 -8.856 1.00 0.00 N ATOM 997 CZ ARG A 66 11.305 2.785 -9.019 1.00 0.00 C ATOM 998 NH1 ARG A 66 12.268 3.509 -8.460 1.00 0.00 N ATOM 999 NH2 ARG A 66 11.627 1.725 -9.745 1.00 0.00 N ATOM 0 H ARG A 66 6.656 7.146 -9.739 1.00 0.00 H new ATOM 0 HA ARG A 66 6.801 5.844 -7.251 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.792 7.381 -8.947 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.258 6.653 -7.422 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.806 4.803 -9.203 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.300 5.407 -9.894 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.421 4.789 -7.658 1.00 0.00 H new ATOM 0 HD3 ARG A 66 8.943 3.937 -7.259 1.00 0.00 H new ATOM 0 HE ARG A 66 9.318 2.523 -9.294 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.031 4.327 -7.899 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.245 3.247 -8.591 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.895 1.163 -10.179 1.00 0.00 H new ATOM 0 HH22 ARG A 66 12.607 1.471 -9.870 1.00 0.00 H new ATOM 1013 N SER A 67 6.858 9.101 -7.140 1.00 0.00 N ATOM 1014 CA SER A 67 6.823 10.262 -6.254 1.00 0.00 C ATOM 1015 C SER A 67 5.932 10.026 -5.038 1.00 0.00 C ATOM 1016 O SER A 67 6.329 10.285 -3.902 1.00 0.00 O ATOM 1017 CB SER A 67 6.315 11.486 -7.021 1.00 0.00 C ATOM 1018 OG SER A 67 7.126 12.619 -6.770 1.00 0.00 O ATOM 0 H SER A 67 6.664 9.315 -8.118 1.00 0.00 H new ATOM 0 HA SER A 67 7.840 10.433 -5.900 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.306 11.271 -8.090 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.286 11.700 -6.730 1.00 0.00 H new ATOM 0 HG SER A 67 6.781 13.386 -7.273 1.00 0.00 H new ATOM 1024 N LYS A 68 4.729 9.537 -5.287 1.00 0.00 N ATOM 1025 CA LYS A 68 3.774 9.280 -4.220 1.00 0.00 C ATOM 1026 C LYS A 68 4.083 7.971 -3.506 1.00 0.00 C ATOM 1027 O LYS A 68 4.073 7.911 -2.276 1.00 0.00 O ATOM 1028 CB LYS A 68 2.354 9.260 -4.781 1.00 0.00 C ATOM 1029 CG LYS A 68 2.154 10.227 -5.939 1.00 0.00 C ATOM 1030 CD LYS A 68 0.939 11.114 -5.731 1.00 0.00 C ATOM 1031 CE LYS A 68 1.017 12.368 -6.585 1.00 0.00 C ATOM 1032 NZ LYS A 68 -0.127 13.286 -6.330 1.00 0.00 N ATOM 0 H LYS A 68 4.389 9.309 -6.221 1.00 0.00 H new ATOM 0 HA LYS A 68 3.856 10.085 -3.489 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.116 8.250 -5.114 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.652 9.507 -3.985 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.043 10.848 -6.051 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.039 9.665 -6.866 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.034 10.559 -5.979 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.865 11.392 -4.680 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.953 12.889 -6.381 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.031 12.089 -7.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.142 14.257 -6.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.944 12.990 -6.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.380 13.254 -5.322 1.00 0.00 H new ATOM 1046 N VAL A 69 4.359 6.926 -4.273 1.00 0.00 N ATOM 1047 CA VAL A 69 4.669 5.625 -3.695 1.00 0.00 C ATOM 1048 C VAL A 69 5.850 5.724 -2.735 1.00 0.00 C ATOM 1049 O VAL A 69 5.773 5.258 -1.598 1.00 0.00 O ATOM 1050 CB VAL A 69 4.991 4.585 -4.779 1.00 0.00 C ATOM 1051 CG1 VAL A 69 5.257 3.223 -4.151 1.00 0.00 C ATOM 1052 CG2 VAL A 69 3.855 4.507 -5.784 1.00 0.00 C ATOM 0 H VAL A 69 4.375 6.952 -5.293 1.00 0.00 H new ATOM 0 HA VAL A 69 3.782 5.302 -3.151 1.00 0.00 H new ATOM 0 HB VAL A 69 5.894 4.895 -5.305 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.483 2.499 -4.934 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.104 3.296 -3.469 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.374 2.898 -3.600 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.095 3.767 -6.547 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.937 4.217 -5.273 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.717 5.481 -6.254 1.00 0.00 H new ATOM 1062 N ASP A 70 6.940 6.346 -3.189 1.00 0.00 N ATOM 1063 CA ASP A 70 8.126 6.511 -2.348 1.00 0.00 C ATOM 1064 C ASP A 70 7.718 7.070 -0.994 1.00 0.00 C ATOM 1065 O ASP A 70 8.047 6.509 0.051 1.00 0.00 O ATOM 1066 CB ASP A 70 9.142 7.449 -3.012 1.00 0.00 C ATOM 1067 CG ASP A 70 10.438 6.746 -3.365 1.00 0.00 C ATOM 1068 OD1 ASP A 70 10.410 5.845 -4.229 1.00 0.00 O ATOM 1069 OD2 ASP A 70 11.482 7.098 -2.776 1.00 0.00 O ATOM 0 H ASP A 70 7.026 6.740 -4.126 1.00 0.00 H new ATOM 0 HA ASP A 70 8.595 5.536 -2.216 1.00 0.00 H new ATOM 0 HB2 ASP A 70 8.704 7.872 -3.916 1.00 0.00 H new ATOM 0 HB3 ASP A 70 9.355 8.282 -2.341 1.00 0.00 H new ATOM 1074 N GLU A 71 6.988 8.178 -1.027 1.00 0.00 N ATOM 1075 CA GLU A 71 6.518 8.817 0.191 1.00 0.00 C ATOM 1076 C GLU A 71 5.851 7.797 1.120 1.00 0.00 C ATOM 1077 O GLU A 71 6.203 7.703 2.296 1.00 0.00 O ATOM 1078 CB GLU A 71 5.556 9.947 -0.169 1.00 0.00 C ATOM 1079 CG GLU A 71 6.217 11.064 -0.954 1.00 0.00 C ATOM 1080 CD GLU A 71 7.460 11.622 -0.287 1.00 0.00 C ATOM 1081 OE1 GLU A 71 8.461 10.883 -0.174 1.00 0.00 O ATOM 1082 OE2 GLU A 71 7.432 12.803 0.121 1.00 0.00 O ATOM 0 H GLU A 71 6.709 8.652 -1.886 1.00 0.00 H new ATOM 0 HA GLU A 71 7.369 9.236 0.727 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.730 9.541 -0.752 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.129 10.358 0.746 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.482 10.693 -1.944 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.498 11.871 -1.097 1.00 0.00 H new ATOM 1089 N ALA A 72 4.896 7.025 0.588 1.00 0.00 N ATOM 1090 CA ALA A 72 4.198 6.008 1.381 1.00 0.00 C ATOM 1091 C ALA A 72 5.177 5.201 2.217 1.00 0.00 C ATOM 1092 O ALA A 72 4.973 4.987 3.412 1.00 0.00 O ATOM 1093 CB ALA A 72 3.425 5.061 0.476 1.00 0.00 C ATOM 0 H ALA A 72 4.591 7.085 -0.383 1.00 0.00 H new ATOM 0 HA ALA A 72 3.506 6.528 2.043 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.914 4.314 1.083 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.691 5.625 -0.099 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.116 4.564 -0.206 1.00 0.00 H new ATOM 1099 N VAL A 73 6.237 4.748 1.564 1.00 0.00 N ATOM 1100 CA VAL A 73 7.255 3.951 2.230 1.00 0.00 C ATOM 1101 C VAL A 73 7.748 4.657 3.485 1.00 0.00 C ATOM 1102 O VAL A 73 7.990 4.025 4.511 1.00 0.00 O ATOM 1103 CB VAL A 73 8.456 3.660 1.309 1.00 0.00 C ATOM 1104 CG1 VAL A 73 9.276 2.507 1.861 1.00 0.00 C ATOM 1105 CG2 VAL A 73 7.990 3.363 -0.111 1.00 0.00 C ATOM 0 H VAL A 73 6.414 4.919 0.574 1.00 0.00 H new ATOM 0 HA VAL A 73 6.790 3.002 2.496 1.00 0.00 H new ATOM 0 HB VAL A 73 9.088 4.547 1.275 1.00 0.00 H new ATOM 0 HG11 VAL A 73 10.121 2.312 1.200 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.644 2.765 2.854 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.653 1.615 1.925 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.855 3.161 -0.743 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.334 2.493 -0.104 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.447 4.223 -0.503 1.00 0.00 H new ATOM 1115 N ALA A 74 7.874 5.976 3.401 1.00 0.00 N ATOM 1116 CA ALA A 74 8.316 6.765 4.535 1.00 0.00 C ATOM 1117 C ALA A 74 7.203 6.858 5.572 1.00 0.00 C ATOM 1118 O ALA A 74 7.298 6.273 6.651 1.00 0.00 O ATOM 1119 CB ALA A 74 8.753 8.152 4.084 1.00 0.00 C ATOM 0 H ALA A 74 7.676 6.517 2.559 1.00 0.00 H new ATOM 0 HA ALA A 74 9.175 6.273 4.992 1.00 0.00 H new ATOM 0 HB1 ALA A 74 9.081 8.729 4.948 1.00 0.00 H new ATOM 0 HB2 ALA A 74 9.576 8.062 3.375 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.915 8.660 3.606 1.00 0.00 H new ATOM 1125 N VAL A 75 6.148 7.597 5.238 1.00 0.00 N ATOM 1126 CA VAL A 75 5.015 7.762 6.146 1.00 0.00 C ATOM 1127 C VAL A 75 4.498 6.418 6.669 1.00 0.00 C ATOM 1128 O VAL A 75 4.472 6.190 7.875 1.00 0.00 O ATOM 1129 CB VAL A 75 3.832 8.517 5.491 1.00 0.00 C ATOM 1130 CG1 VAL A 75 3.161 9.428 6.507 1.00 0.00 C ATOM 1131 CG2 VAL A 75 4.277 9.316 4.281 1.00 0.00 C ATOM 0 H VAL A 75 6.054 8.089 4.350 1.00 0.00 H new ATOM 0 HA VAL A 75 5.400 8.355 6.976 1.00 0.00 H new ATOM 0 HB VAL A 75 3.113 7.772 5.149 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.331 9.953 6.033 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.786 8.832 7.339 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.884 10.154 6.878 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.419 9.831 3.850 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.025 10.048 4.584 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.707 8.643 3.539 1.00 0.00 H new ATOM 1141 N LEU A 76 4.050 5.545 5.763 1.00 0.00 N ATOM 1142 CA LEU A 76 3.492 4.250 6.165 1.00 0.00 C ATOM 1143 C LEU A 76 4.410 3.522 7.123 1.00 0.00 C ATOM 1144 O LEU A 76 4.004 3.160 8.228 1.00 0.00 O ATOM 1145 CB LEU A 76 3.233 3.373 4.941 1.00 0.00 C ATOM 1146 CG LEU A 76 2.191 2.266 5.144 1.00 0.00 C ATOM 1147 CD1 LEU A 76 0.829 2.853 5.430 1.00 0.00 C ATOM 1148 CD2 LEU A 76 2.099 1.395 3.915 1.00 0.00 C ATOM 0 H LEU A 76 4.062 5.708 4.756 1.00 0.00 H new ATOM 0 HA LEU A 76 2.549 4.448 6.675 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.908 4.010 4.119 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.174 2.914 4.636 1.00 0.00 H new ATOM 0 HG LEU A 76 2.510 1.666 5.996 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.108 2.048 5.570 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.877 3.459 6.335 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.518 3.477 4.592 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.355 0.615 4.077 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.807 2.003 3.059 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.069 0.937 3.720 1.00 0.00 H new ATOM 1160 N GLN A 77 5.644 3.315 6.708 1.00 0.00 N ATOM 1161 CA GLN A 77 6.597 2.633 7.562 1.00 0.00 C ATOM 1162 C GLN A 77 6.612 3.300 8.942 1.00 0.00 C ATOM 1163 O GLN A 77 6.809 2.643 9.964 1.00 0.00 O ATOM 1164 CB GLN A 77 7.995 2.641 6.941 1.00 0.00 C ATOM 1165 CG GLN A 77 8.966 1.683 7.615 1.00 0.00 C ATOM 1166 CD GLN A 77 8.865 0.272 7.069 1.00 0.00 C ATOM 1167 OE1 GLN A 77 9.698 -0.158 6.272 1.00 0.00 O ATOM 1168 NE2 GLN A 77 7.840 -0.457 7.499 1.00 0.00 N ATOM 0 H GLN A 77 6.007 3.604 5.800 1.00 0.00 H new ATOM 0 HA GLN A 77 6.292 1.592 7.670 1.00 0.00 H new ATOM 0 HB2 GLN A 77 7.916 2.382 5.885 1.00 0.00 H new ATOM 0 HB3 GLN A 77 8.400 3.652 6.992 1.00 0.00 H new ATOM 0 HG2 GLN A 77 9.984 2.049 7.481 1.00 0.00 H new ATOM 0 HG3 GLN A 77 8.771 1.669 8.687 1.00 0.00 H new ATOM 0 HE21 GLN A 77 7.173 -0.059 8.160 1.00 0.00 H new ATOM 0 HE22 GLN A 77 7.720 -1.414 7.168 1.00 0.00 H new ATOM 1177 N ALA A 78 6.382 4.616 8.948 1.00 0.00 N ATOM 1178 CA ALA A 78 6.347 5.404 10.179 1.00 0.00 C ATOM 1179 C ALA A 78 4.993 5.309 10.898 1.00 0.00 C ATOM 1180 O ALA A 78 4.889 4.707 11.966 1.00 0.00 O ATOM 1181 CB ALA A 78 6.684 6.856 9.872 1.00 0.00 C ATOM 0 H ALA A 78 6.216 5.162 8.102 1.00 0.00 H new ATOM 0 HA ALA A 78 7.094 4.989 10.855 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.656 7.438 10.793 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.681 6.914 9.436 1.00 0.00 H new ATOM 0 HB3 ALA A 78 5.956 7.257 9.167 1.00 0.00 H new ATOM 1187 N HIS A 79 3.958 5.924 10.311 1.00 0.00 N ATOM 1188 CA HIS A 79 2.623 5.927 10.901 1.00 0.00 C ATOM 1189 C HIS A 79 2.063 4.513 11.004 1.00 0.00 C ATOM 1190 O HIS A 79 1.610 4.089 12.068 1.00 0.00 O ATOM 1191 CB HIS A 79 1.681 6.810 10.070 1.00 0.00 C ATOM 1192 CG HIS A 79 1.311 8.091 10.748 1.00 0.00 C ATOM 1193 ND1 HIS A 79 0.241 8.205 11.609 1.00 0.00 N ATOM 1194 CD2 HIS A 79 1.878 9.321 10.693 1.00 0.00 C ATOM 1195 CE1 HIS A 79 0.162 9.447 12.053 1.00 0.00 C ATOM 1196 NE2 HIS A 79 1.144 10.144 11.513 1.00 0.00 N ATOM 0 H HIS A 79 4.025 6.426 9.426 1.00 0.00 H new ATOM 0 HA HIS A 79 2.699 6.334 11.909 1.00 0.00 H new ATOM 0 HB2 HIS A 79 2.156 7.037 9.116 1.00 0.00 H new ATOM 0 HB3 HIS A 79 0.773 6.250 9.848 1.00 0.00 H new ATOM 0 HD2 HIS A 79 2.745 9.602 10.113 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -0.579 9.827 12.740 1.00 0.00 H new ATOM 0 HE2 HIS A 79 1.328 11.134 11.678 1.00 0.00 H new ATOM 1204 N GLN A 80 2.095 3.789 9.892 1.00 0.00 N ATOM 1205 CA GLN A 80 1.591 2.425 9.854 1.00 0.00 C ATOM 1206 C GLN A 80 2.630 1.446 10.388 1.00 0.00 C ATOM 1207 O GLN A 80 3.142 0.602 9.654 1.00 0.00 O ATOM 1208 CB GLN A 80 1.191 2.046 8.427 1.00 0.00 C ATOM 1209 CG GLN A 80 0.162 0.933 8.361 1.00 0.00 C ATOM 1210 CD GLN A 80 -1.241 1.446 8.095 1.00 0.00 C ATOM 1211 OE1 GLN A 80 -1.727 1.245 6.874 1.00 0.00 O flip ATOM 1212 NE2 GLN A 80 -1.881 2.016 8.978 1.00 0.00 N flip ATOM 0 H GLN A 80 2.466 4.126 9.004 1.00 0.00 H new ATOM 0 HA GLN A 80 0.710 2.370 10.493 1.00 0.00 H new ATOM 0 HB2 GLN A 80 0.794 2.927 7.924 1.00 0.00 H new ATOM 0 HB3 GLN A 80 2.081 1.740 7.878 1.00 0.00 H new ATOM 0 HG2 GLN A 80 0.442 0.231 7.576 1.00 0.00 H new ATOM 0 HG3 GLN A 80 0.170 0.380 9.300 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -1.469 2.149 9.902 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -2.824 2.355 8.786 1.00 0.00 H new ATOM 1221 N ALA A 81 2.937 1.568 11.675 1.00 0.00 N ATOM 1222 CA ALA A 81 3.912 0.696 12.311 1.00 0.00 C ATOM 1223 C ALA A 81 3.224 -0.489 12.978 1.00 0.00 C ATOM 1224 O ALA A 81 3.441 -0.764 14.159 1.00 0.00 O ATOM 1225 CB ALA A 81 4.744 1.476 13.319 1.00 0.00 C ATOM 0 H ALA A 81 2.523 2.263 12.296 1.00 0.00 H new ATOM 0 HA ALA A 81 4.580 0.308 11.542 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.469 0.809 13.786 1.00 0.00 H new ATOM 0 HB2 ALA A 81 5.270 2.284 12.810 1.00 0.00 H new ATOM 0 HB3 ALA A 81 4.090 1.895 14.084 1.00 0.00 H new ATOM 1231 N LYS A 82 2.398 -1.193 12.212 1.00 0.00 N ATOM 1232 CA LYS A 82 1.688 -2.353 12.730 1.00 0.00 C ATOM 1233 C LYS A 82 2.670 -3.470 13.053 1.00 0.00 C ATOM 1234 O LYS A 82 3.166 -4.155 12.158 1.00 0.00 O ATOM 1235 CB LYS A 82 0.645 -2.844 11.722 1.00 0.00 C ATOM 1236 CG LYS A 82 -0.756 -2.944 12.304 1.00 0.00 C ATOM 1237 CD LYS A 82 -1.815 -2.983 11.213 1.00 0.00 C ATOM 1238 CE LYS A 82 -2.497 -1.633 11.051 1.00 0.00 C ATOM 1239 NZ LYS A 82 -1.537 -0.578 10.633 1.00 0.00 N ATOM 0 H LYS A 82 2.205 -0.980 11.233 1.00 0.00 H new ATOM 0 HA LYS A 82 1.173 -2.059 13.644 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.628 -2.167 10.868 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.945 -3.822 11.347 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -0.832 -3.842 12.918 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -0.940 -2.093 12.960 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.356 -3.276 10.269 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -2.560 -3.742 11.454 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.293 -1.714 10.311 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -2.965 -1.347 11.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.001 0.352 10.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -0.713 -0.587 11.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -1.224 -0.760 9.658 1.00 0.00 H new ATOM 1253 N GLU A 83 2.955 -3.644 14.339 1.00 0.00 N ATOM 1254 CA GLU A 83 3.886 -4.676 14.780 1.00 0.00 C ATOM 1255 C GLU A 83 3.176 -6.010 14.994 1.00 0.00 C ATOM 1256 O GLU A 83 3.478 -6.733 15.941 1.00 0.00 O ATOM 1257 CB GLU A 83 4.603 -4.252 16.068 1.00 0.00 C ATOM 1258 CG GLU A 83 3.688 -3.656 17.131 1.00 0.00 C ATOM 1259 CD GLU A 83 4.345 -2.521 17.895 1.00 0.00 C ATOM 1260 OE1 GLU A 83 5.540 -2.650 18.239 1.00 0.00 O ATOM 1261 OE2 GLU A 83 3.665 -1.506 18.151 1.00 0.00 O ATOM 0 H GLU A 83 2.556 -3.085 15.093 1.00 0.00 H new ATOM 0 HA GLU A 83 4.627 -4.804 13.991 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.112 -5.119 16.489 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.373 -3.522 15.817 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.776 -3.291 16.658 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.393 -4.438 17.831 1.00 0.00 H new ATOM 1268 N ALA A 84 2.240 -6.331 14.105 1.00 0.00 N ATOM 1269 CA ALA A 84 1.498 -7.582 14.191 1.00 0.00 C ATOM 1270 C ALA A 84 2.362 -8.761 13.755 1.00 0.00 C ATOM 1271 O ALA A 84 2.101 -9.906 14.125 1.00 0.00 O ATOM 1272 CB ALA A 84 0.240 -7.502 13.339 1.00 0.00 C ATOM 0 H ALA A 84 1.978 -5.740 13.316 1.00 0.00 H new ATOM 0 HA ALA A 84 1.212 -7.741 15.231 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -0.308 -8.442 13.410 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -0.390 -6.687 13.696 1.00 0.00 H new ATOM 0 HB3 ALA A 84 0.515 -7.320 12.300 1.00 0.00 H new ATOM 1278 N ALA A 85 3.396 -8.473 12.965 1.00 0.00 N ATOM 1279 CA ALA A 85 4.299 -9.509 12.476 1.00 0.00 C ATOM 1280 C ALA A 85 5.206 -10.017 13.589 1.00 0.00 C ATOM 1281 O ALA A 85 5.347 -11.222 13.788 1.00 0.00 O ATOM 1282 CB ALA A 85 5.131 -8.981 11.316 1.00 0.00 C ATOM 0 H ALA A 85 3.627 -7.530 12.651 1.00 0.00 H new ATOM 0 HA ALA A 85 3.694 -10.345 12.125 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.800 -9.765 10.962 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.471 -8.673 10.505 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.719 -8.126 11.649 1.00 0.00 H new ATOM 1288 N GLN A 86 5.824 -9.087 14.314 1.00 0.00 N ATOM 1289 CA GLN A 86 6.718 -9.442 15.409 1.00 0.00 C ATOM 1290 C GLN A 86 5.972 -9.488 16.742 1.00 0.00 C ATOM 1291 O GLN A 86 6.589 -9.456 17.807 1.00 0.00 O ATOM 1292 CB GLN A 86 7.876 -8.447 15.489 1.00 0.00 C ATOM 1293 CG GLN A 86 8.819 -8.515 14.299 1.00 0.00 C ATOM 1294 CD GLN A 86 10.224 -8.943 14.684 1.00 0.00 C ATOM 1295 OE1 GLN A 86 11.093 -8.108 14.933 1.00 0.00 O ATOM 1296 NE2 GLN A 86 10.453 -10.249 14.730 1.00 0.00 N ATOM 0 H GLN A 86 5.721 -8.084 14.162 1.00 0.00 H new ATOM 0 HA GLN A 86 7.114 -10.438 15.209 1.00 0.00 H new ATOM 0 HB2 GLN A 86 7.472 -7.437 15.565 1.00 0.00 H new ATOM 0 HB3 GLN A 86 8.442 -8.633 16.402 1.00 0.00 H new ATOM 0 HG2 GLN A 86 8.420 -9.214 13.565 1.00 0.00 H new ATOM 0 HG3 GLN A 86 8.861 -7.538 13.818 1.00 0.00 H new ATOM 0 HE21 GLN A 86 9.703 -10.906 14.516 1.00 0.00 H new ATOM 0 HE22 GLN A 86 11.379 -10.596 14.980 1.00 0.00 H new ATOM 1305 N LYS A 87 4.644 -9.568 16.679 1.00 0.00 N ATOM 1306 CA LYS A 87 3.825 -9.625 17.882 1.00 0.00 C ATOM 1307 C LYS A 87 3.659 -11.066 18.346 1.00 0.00 C ATOM 1308 O LYS A 87 4.181 -11.461 19.389 1.00 0.00 O ATOM 1309 CB LYS A 87 2.447 -9.008 17.626 1.00 0.00 C ATOM 1310 CG LYS A 87 1.958 -8.120 18.759 1.00 0.00 C ATOM 1311 CD LYS A 87 1.373 -8.944 19.895 1.00 0.00 C ATOM 1312 CE LYS A 87 1.768 -8.383 21.252 1.00 0.00 C ATOM 1313 NZ LYS A 87 2.209 -9.456 22.188 1.00 0.00 N ATOM 0 H LYS A 87 4.115 -9.595 15.807 1.00 0.00 H new ATOM 0 HA LYS A 87 4.330 -9.054 18.661 1.00 0.00 H new ATOM 0 HB2 LYS A 87 2.485 -8.423 16.707 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.724 -9.808 17.465 1.00 0.00 H new ATOM 0 HG2 LYS A 87 2.785 -7.516 19.133 1.00 0.00 H new ATOM 0 HG3 LYS A 87 1.204 -7.429 18.382 1.00 0.00 H new ATOM 0 HD2 LYS A 87 0.286 -8.963 19.810 1.00 0.00 H new ATOM 0 HD3 LYS A 87 1.717 -9.975 19.812 1.00 0.00 H new ATOM 0 HE2 LYS A 87 2.572 -7.658 21.125 1.00 0.00 H new ATOM 0 HE3 LYS A 87 0.922 -7.849 21.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 2.470 -9.034 23.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 1.433 -10.134 22.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 3.032 -9.950 21.787 1.00 0.00 H new ATOM 1327 N ALA A 88 2.930 -11.846 17.557 1.00 0.00 N ATOM 1328 CA ALA A 88 2.692 -13.245 17.874 1.00 0.00 C ATOM 1329 C ALA A 88 3.940 -14.082 17.620 1.00 0.00 C ATOM 1330 O ALA A 88 4.070 -14.713 16.571 1.00 0.00 O ATOM 1331 CB ALA A 88 1.522 -13.777 17.061 1.00 0.00 C ATOM 0 H ALA A 88 2.493 -11.530 16.691 1.00 0.00 H new ATOM 0 HA ALA A 88 2.446 -13.318 18.933 1.00 0.00 H new ATOM 0 HB1 ALA A 88 1.354 -14.825 17.308 1.00 0.00 H new ATOM 0 HB2 ALA A 88 0.626 -13.202 17.294 1.00 0.00 H new ATOM 0 HB3 ALA A 88 1.746 -13.686 15.998 1.00 0.00 H new ATOM 1337 N VAL A 89 4.853 -14.088 18.585 1.00 0.00 N ATOM 1338 CA VAL A 89 6.087 -14.853 18.462 1.00 0.00 C ATOM 1339 C VAL A 89 5.841 -16.332 18.754 1.00 0.00 C ATOM 1340 O VAL A 89 6.511 -16.932 19.596 1.00 0.00 O ATOM 1341 CB VAL A 89 7.175 -14.321 19.418 1.00 0.00 C ATOM 1342 CG1 VAL A 89 8.493 -15.043 19.185 1.00 0.00 C ATOM 1343 CG2 VAL A 89 7.344 -12.818 19.249 1.00 0.00 C ATOM 0 H VAL A 89 4.761 -13.572 19.460 1.00 0.00 H new ATOM 0 HA VAL A 89 6.434 -14.740 17.435 1.00 0.00 H new ATOM 0 HB VAL A 89 6.859 -14.516 20.443 1.00 0.00 H new ATOM 0 HG11 VAL A 89 9.247 -14.653 19.869 1.00 0.00 H new ATOM 0 HG12 VAL A 89 8.359 -16.110 19.362 1.00 0.00 H new ATOM 0 HG13 VAL A 89 8.818 -14.884 18.157 1.00 0.00 H new ATOM 0 HG21 VAL A 89 8.115 -12.460 19.931 1.00 0.00 H new ATOM 0 HG22 VAL A 89 7.637 -12.598 18.222 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.401 -12.318 19.473 1.00 0.00 H new ATOM 1353 N ASN A 90 4.873 -16.916 18.053 1.00 0.00 N ATOM 1354 CA ASN A 90 4.531 -18.320 18.234 1.00 0.00 C ATOM 1355 C ASN A 90 5.061 -19.162 17.078 1.00 0.00 C ATOM 1356 O ASN A 90 4.357 -19.394 16.095 1.00 0.00 O ATOM 1357 CB ASN A 90 3.013 -18.480 18.344 1.00 0.00 C ATOM 1358 CG ASN A 90 2.601 -19.906 18.655 1.00 0.00 C ATOM 1359 OD1 ASN A 90 1.902 -20.546 17.871 1.00 0.00 O ATOM 1360 ND2 ASN A 90 3.033 -20.409 19.806 1.00 0.00 N ATOM 0 H ASN A 90 4.310 -16.434 17.352 1.00 0.00 H new ATOM 0 HA ASN A 90 4.997 -18.670 19.155 1.00 0.00 H new ATOM 0 HB2 ASN A 90 2.637 -17.818 19.124 1.00 0.00 H new ATOM 0 HB3 ASN A 90 2.549 -18.167 17.409 1.00 0.00 H new ATOM 0 HD21 ASN A 90 2.787 -21.363 20.070 1.00 0.00 H new ATOM 0 HD22 ASN A 90 3.611 -19.841 20.426 1.00 0.00 H new ATOM 1367 N SER A 91 6.302 -19.617 17.201 1.00 0.00 N ATOM 1368 CA SER A 91 6.921 -20.433 16.164 1.00 0.00 C ATOM 1369 C SER A 91 6.770 -21.917 16.476 1.00 0.00 C ATOM 1370 O SER A 91 7.098 -22.368 17.574 1.00 0.00 O ATOM 1371 CB SER A 91 8.401 -20.078 16.020 1.00 0.00 C ATOM 1372 OG SER A 91 9.089 -21.058 15.264 1.00 0.00 O ATOM 0 H SER A 91 6.899 -19.435 18.008 1.00 0.00 H new ATOM 0 HA SER A 91 6.412 -20.225 15.223 1.00 0.00 H new ATOM 0 HB2 SER A 91 8.500 -19.106 15.537 1.00 0.00 H new ATOM 0 HB3 SER A 91 8.855 -19.991 17.007 1.00 0.00 H new ATOM 0 HG SER A 91 10.033 -20.807 15.185 1.00 0.00 H new ATOM 1378 N ALA A 92 6.273 -22.676 15.504 1.00 0.00 N ATOM 1379 CA ALA A 92 6.082 -24.110 15.677 1.00 0.00 C ATOM 1380 C ALA A 92 7.418 -24.845 15.686 1.00 0.00 C ATOM 1381 O ALA A 92 8.464 -24.251 15.424 1.00 0.00 O ATOM 1382 CB ALA A 92 5.183 -24.657 14.580 1.00 0.00 C ATOM 0 H ALA A 92 5.996 -22.321 14.589 1.00 0.00 H new ATOM 0 HA ALA A 92 5.601 -24.275 16.641 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.048 -25.729 14.721 1.00 0.00 H new ATOM 0 HB2 ALA A 92 4.213 -24.161 14.623 1.00 0.00 H new ATOM 0 HB3 ALA A 92 5.642 -24.473 13.608 1.00 0.00 H new ATOM 1388 N THR A 93 7.377 -26.137 15.992 1.00 0.00 N ATOM 1389 CA THR A 93 8.588 -26.950 16.039 1.00 0.00 C ATOM 1390 C THR A 93 8.626 -27.952 14.886 1.00 0.00 C ATOM 1391 O THR A 93 7.587 -28.443 14.444 1.00 0.00 O ATOM 1392 CB THR A 93 8.681 -27.690 17.378 1.00 0.00 C ATOM 1393 OG1 THR A 93 7.474 -27.564 18.108 1.00 0.00 O ATOM 1394 CG2 THR A 93 9.808 -27.192 18.257 1.00 0.00 C ATOM 0 H THR A 93 6.520 -26.644 16.211 1.00 0.00 H new ATOM 0 HA THR A 93 9.443 -26.282 15.939 1.00 0.00 H new ATOM 0 HB THR A 93 8.876 -28.731 17.121 1.00 0.00 H new ATOM 0 HG1 THR A 93 7.554 -28.045 18.958 1.00 0.00 H new ATOM 0 HG21 THR A 93 9.819 -27.757 19.189 1.00 0.00 H new ATOM 0 HG22 THR A 93 10.759 -27.326 17.740 1.00 0.00 H new ATOM 0 HG23 THR A 93 9.659 -26.134 18.475 1.00 0.00 H new ATOM 1402 N GLY A 94 9.832 -28.249 14.407 1.00 0.00 N ATOM 1403 CA GLY A 94 9.986 -29.193 13.314 1.00 0.00 C ATOM 1404 C GLY A 94 10.135 -30.622 13.802 1.00 0.00 C ATOM 1405 O GLY A 94 9.553 -31.000 14.818 1.00 0.00 O ATOM 0 H GLY A 94 10.704 -27.853 14.757 1.00 0.00 H new ATOM 0 HA2 GLY A 94 9.121 -29.125 12.654 1.00 0.00 H new ATOM 0 HA3 GLY A 94 10.860 -28.921 12.722 1.00 0.00 H new ATOM 1409 N VAL A 95 10.912 -31.421 13.076 1.00 0.00 N ATOM 1410 CA VAL A 95 11.122 -32.816 13.448 1.00 0.00 C ATOM 1411 C VAL A 95 12.457 -33.016 14.176 1.00 0.00 C ATOM 1412 O VAL A 95 12.469 -33.456 15.327 1.00 0.00 O ATOM 1413 CB VAL A 95 11.045 -33.754 12.226 1.00 0.00 C ATOM 1414 CG1 VAL A 95 11.054 -35.208 12.667 1.00 0.00 C ATOM 1415 CG2 VAL A 95 9.804 -33.449 11.396 1.00 0.00 C ATOM 0 H VAL A 95 11.404 -31.128 12.232 1.00 0.00 H new ATOM 0 HA VAL A 95 10.314 -33.076 14.132 1.00 0.00 H new ATOM 0 HB VAL A 95 11.923 -33.582 11.603 1.00 0.00 H new ATOM 0 HG11 VAL A 95 10.999 -35.854 11.791 1.00 0.00 H new ATOM 0 HG12 VAL A 95 11.973 -35.416 13.215 1.00 0.00 H new ATOM 0 HG13 VAL A 95 10.196 -35.398 13.312 1.00 0.00 H new ATOM 0 HG21 VAL A 95 9.766 -34.120 10.538 1.00 0.00 H new ATOM 0 HG22 VAL A 95 8.913 -33.591 12.008 1.00 0.00 H new ATOM 0 HG23 VAL A 95 9.844 -32.417 11.048 1.00 0.00 H new ATOM 1425 N PRO A 96 13.604 -32.703 13.534 1.00 0.00 N ATOM 1426 CA PRO A 96 14.920 -32.867 14.166 1.00 0.00 C ATOM 1427 C PRO A 96 15.179 -31.814 15.238 1.00 0.00 C ATOM 1428 O PRO A 96 14.745 -30.669 15.117 1.00 0.00 O ATOM 1429 CB PRO A 96 15.896 -32.694 13.003 1.00 0.00 C ATOM 1430 CG PRO A 96 15.177 -31.810 12.046 1.00 0.00 C ATOM 1431 CD PRO A 96 13.722 -32.169 12.162 1.00 0.00 C ATOM 0 HA PRO A 96 15.011 -33.825 14.677 1.00 0.00 H new ATOM 0 HB2 PRO A 96 16.832 -32.244 13.333 1.00 0.00 H new ATOM 0 HB3 PRO A 96 16.146 -33.652 12.548 1.00 0.00 H new ATOM 0 HG2 PRO A 96 15.340 -30.760 12.287 1.00 0.00 H new ATOM 0 HG3 PRO A 96 15.536 -31.963 11.028 1.00 0.00 H new ATOM 0 HD2 PRO A 96 13.082 -31.300 12.014 1.00 0.00 H new ATOM 0 HD3 PRO A 96 13.431 -32.910 11.417 1.00 0.00 H new ATOM 1439 N THR A 97 15.891 -32.210 16.289 1.00 0.00 N ATOM 1440 CA THR A 97 16.207 -31.301 17.384 1.00 0.00 C ATOM 1441 C THR A 97 17.542 -30.599 17.141 1.00 0.00 C ATOM 1442 O THR A 97 18.158 -30.766 16.089 1.00 0.00 O ATOM 1443 CB THR A 97 16.249 -32.065 18.709 1.00 0.00 C ATOM 1444 OG1 THR A 97 16.852 -33.334 18.535 1.00 0.00 O ATOM 1445 CG2 THR A 97 14.881 -32.285 19.317 1.00 0.00 C ATOM 0 H THR A 97 16.260 -33.154 16.405 1.00 0.00 H new ATOM 0 HA THR A 97 15.425 -30.543 17.435 1.00 0.00 H new ATOM 0 HB THR A 97 16.832 -31.440 19.386 1.00 0.00 H new ATOM 0 HG1 THR A 97 16.872 -33.807 19.393 1.00 0.00 H new ATOM 0 HG21 THR A 97 14.983 -32.832 20.254 1.00 0.00 H new ATOM 0 HG22 THR A 97 14.409 -31.321 19.509 1.00 0.00 H new ATOM 0 HG23 THR A 97 14.264 -32.860 18.626 1.00 0.00 H new ATOM 1453 N VAL A 98 17.982 -29.817 18.121 1.00 0.00 N ATOM 1454 CA VAL A 98 19.245 -29.094 18.010 1.00 0.00 C ATOM 1455 C VAL A 98 20.332 -29.748 18.858 1.00 0.00 C ATOM 1456 O VAL A 98 21.125 -30.534 18.296 1.00 0.00 O ATOM 1457 CB VAL A 98 19.099 -27.617 18.433 1.00 0.00 C ATOM 1458 CG1 VAL A 98 18.220 -26.860 17.448 1.00 0.00 C ATOM 1459 CG2 VAL A 98 18.546 -27.505 19.848 1.00 0.00 C ATOM 1460 OXT VAL A 98 20.381 -29.473 20.074 1.00 0.00 O ATOM 0 H VAL A 98 17.485 -29.667 18.999 1.00 0.00 H new ATOM 0 HA VAL A 98 19.532 -29.132 16.959 1.00 0.00 H new ATOM 0 HB VAL A 98 20.091 -27.164 18.424 1.00 0.00 H new ATOM 0 HG11 VAL A 98 18.130 -25.821 17.765 1.00 0.00 H new ATOM 0 HG12 VAL A 98 18.669 -26.899 16.455 1.00 0.00 H new ATOM 0 HG13 VAL A 98 17.231 -27.317 17.417 1.00 0.00 H new ATOM 0 HG21 VAL A 98 18.453 -26.454 20.120 1.00 0.00 H new ATOM 0 HG22 VAL A 98 17.566 -27.980 19.894 1.00 0.00 H new ATOM 0 HG23 VAL A 98 19.223 -28.002 20.543 1.00 0.00 H new TER 1470 VAL A 98 ATOM 1471 N VAL B 1 13.420 18.211 10.456 1.00 0.00 N ATOM 1472 CA VAL B 1 13.295 16.937 9.700 1.00 0.00 C ATOM 1473 C VAL B 1 11.875 16.744 9.180 1.00 0.00 C ATOM 1474 O VAL B 1 10.903 17.010 9.885 1.00 0.00 O ATOM 1475 CB VAL B 1 13.680 15.730 10.576 1.00 0.00 C ATOM 1476 CG1 VAL B 1 13.648 14.445 9.762 1.00 0.00 C ATOM 1477 CG2 VAL B 1 15.051 15.940 11.197 1.00 0.00 C ATOM 0 H1 VAL B 1 14.368 18.611 10.307 1.00 0.00 H new ATOM 0 H2 VAL B 1 12.703 18.885 10.121 1.00 0.00 H new ATOM 0 H3 VAL B 1 13.276 18.029 11.470 1.00 0.00 H new ATOM 0 HA VAL B 1 13.981 16.998 8.855 1.00 0.00 H new ATOM 0 HB VAL B 1 12.950 15.641 11.380 1.00 0.00 H new ATOM 0 HG11 VAL B 1 13.923 13.604 10.399 1.00 0.00 H new ATOM 0 HG12 VAL B 1 12.644 14.289 9.368 1.00 0.00 H new ATOM 0 HG13 VAL B 1 14.354 14.520 8.935 1.00 0.00 H new ATOM 0 HG21 VAL B 1 15.307 15.078 11.813 1.00 0.00 H new ATOM 0 HG22 VAL B 1 15.794 16.056 10.408 1.00 0.00 H new ATOM 0 HG23 VAL B 1 15.036 16.837 11.816 1.00 0.00 H new ATOM 1489 N LEU B 2 11.764 16.279 7.940 1.00 0.00 N ATOM 1490 CA LEU B 2 10.463 16.049 7.322 1.00 0.00 C ATOM 1491 C LEU B 2 9.989 14.618 7.555 1.00 0.00 C ATOM 1492 O LEU B 2 10.470 13.683 6.914 1.00 0.00 O ATOM 1493 CB LEU B 2 10.535 16.337 5.821 1.00 0.00 C ATOM 1494 CG LEU B 2 9.198 16.245 5.079 1.00 0.00 C ATOM 1495 CD1 LEU B 2 8.961 17.494 4.243 1.00 0.00 C ATOM 1496 CD2 LEU B 2 9.158 15.001 4.202 1.00 0.00 C ATOM 0 H LEU B 2 12.560 16.054 7.343 1.00 0.00 H new ATOM 0 HA LEU B 2 9.745 16.726 7.784 1.00 0.00 H new ATOM 0 HB2 LEU B 2 10.945 17.337 5.677 1.00 0.00 H new ATOM 0 HB3 LEU B 2 11.235 15.637 5.365 1.00 0.00 H new ATOM 0 HG LEU B 2 8.401 16.171 5.819 1.00 0.00 H new ATOM 0 HD11 LEU B 2 8.006 17.409 3.724 1.00 0.00 H new ATOM 0 HD12 LEU B 2 8.944 18.369 4.893 1.00 0.00 H new ATOM 0 HD13 LEU B 2 9.763 17.600 3.512 1.00 0.00 H new ATOM 0 HD21 LEU B 2 8.201 14.952 3.683 1.00 0.00 H new ATOM 0 HD22 LEU B 2 9.965 15.045 3.471 1.00 0.00 H new ATOM 0 HD23 LEU B 2 9.279 14.114 4.823 1.00 0.00 H new ATOM 1508 N MET B 3 9.042 14.452 8.474 1.00 0.00 N ATOM 1509 CA MET B 3 8.503 13.133 8.787 1.00 0.00 C ATOM 1510 C MET B 3 7.367 12.774 7.835 1.00 0.00 C ATOM 1511 O MET B 3 7.428 11.764 7.132 1.00 0.00 O ATOM 1512 CB MET B 3 8.013 13.088 10.236 1.00 0.00 C ATOM 1513 CG MET B 3 8.894 12.250 11.150 1.00 0.00 C ATOM 1514 SD MET B 3 8.395 10.517 11.199 1.00 0.00 S ATOM 1515 CE MET B 3 7.661 10.424 12.832 1.00 0.00 C ATOM 0 H MET B 3 8.633 15.214 9.014 1.00 0.00 H new ATOM 0 HA MET B 3 9.300 12.400 8.663 1.00 0.00 H new ATOM 0 HB2 MET B 3 7.963 14.105 10.626 1.00 0.00 H new ATOM 0 HB3 MET B 3 6.999 12.688 10.256 1.00 0.00 H new ATOM 0 HG2 MET B 3 9.928 12.317 10.812 1.00 0.00 H new ATOM 0 HG3 MET B 3 8.861 12.662 12.158 1.00 0.00 H new ATOM 0 HE1 MET B 3 7.303 9.410 13.013 1.00 0.00 H new ATOM 0 HE2 MET B 3 8.408 10.684 13.582 1.00 0.00 H new ATOM 0 HE3 MET B 3 6.825 11.121 12.895 1.00 0.00 H new ATOM 1525 N SER B 4 6.334 13.608 7.813 1.00 0.00 N ATOM 1526 CA SER B 4 5.187 13.376 6.943 1.00 0.00 C ATOM 1527 C SER B 4 5.562 13.612 5.485 1.00 0.00 C ATOM 1528 O SER B 4 6.216 14.599 5.150 1.00 0.00 O ATOM 1529 CB SER B 4 4.023 14.286 7.341 1.00 0.00 C ATOM 1530 OG SER B 4 3.267 13.713 8.393 1.00 0.00 O ATOM 0 H SER B 4 6.267 14.449 8.386 1.00 0.00 H new ATOM 0 HA SER B 4 4.876 12.338 7.057 1.00 0.00 H new ATOM 0 HB2 SER B 4 4.406 15.258 7.652 1.00 0.00 H new ATOM 0 HB3 SER B 4 3.380 14.458 6.478 1.00 0.00 H new ATOM 0 HG SER B 4 2.530 14.314 8.631 1.00 0.00 H new ATOM 1536 N LYS B 5 5.148 12.692 4.621 1.00 0.00 N ATOM 1537 CA LYS B 5 5.444 12.797 3.201 1.00 0.00 C ATOM 1538 C LYS B 5 4.210 13.271 2.423 1.00 0.00 C ATOM 1539 O LYS B 5 3.269 13.800 3.013 1.00 0.00 O ATOM 1540 CB LYS B 5 5.955 11.459 2.669 1.00 0.00 C ATOM 1541 CG LYS B 5 7.118 10.884 3.472 1.00 0.00 C ATOM 1542 CD LYS B 5 8.284 11.858 3.556 1.00 0.00 C ATOM 1543 CE LYS B 5 9.520 11.307 2.865 1.00 0.00 C ATOM 1544 NZ LYS B 5 10.404 12.395 2.362 1.00 0.00 N ATOM 0 H LYS B 5 4.607 11.867 4.881 1.00 0.00 H new ATOM 0 HA LYS B 5 6.228 13.541 3.060 1.00 0.00 H new ATOM 0 HB2 LYS B 5 5.135 10.741 2.669 1.00 0.00 H new ATOM 0 HB3 LYS B 5 6.268 11.586 1.633 1.00 0.00 H new ATOM 0 HG2 LYS B 5 6.778 10.637 4.478 1.00 0.00 H new ATOM 0 HG3 LYS B 5 7.453 9.955 3.011 1.00 0.00 H new ATOM 0 HD2 LYS B 5 8.002 12.806 3.098 1.00 0.00 H new ATOM 0 HD3 LYS B 5 8.512 12.065 4.602 1.00 0.00 H new ATOM 0 HE2 LYS B 5 10.076 10.679 3.561 1.00 0.00 H new ATOM 0 HE3 LYS B 5 9.218 10.670 2.033 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 11.236 11.979 1.897 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 9.881 12.979 1.678 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 10.713 12.988 3.159 1.00 0.00 H new ATOM 1558 N LEU B 6 4.218 13.093 1.101 1.00 0.00 N ATOM 1559 CA LEU B 6 3.092 13.525 0.266 1.00 0.00 C ATOM 1560 C LEU B 6 1.844 12.695 0.536 1.00 0.00 C ATOM 1561 O LEU B 6 0.726 13.212 0.518 1.00 0.00 O ATOM 1562 CB LEU B 6 3.450 13.417 -1.216 1.00 0.00 C ATOM 1563 CG LEU B 6 4.440 14.465 -1.728 1.00 0.00 C ATOM 1564 CD1 LEU B 6 5.564 13.804 -2.519 1.00 0.00 C ATOM 1565 CD2 LEU B 6 3.719 15.499 -2.584 1.00 0.00 C ATOM 0 H LEU B 6 4.984 12.657 0.587 1.00 0.00 H new ATOM 0 HA LEU B 6 2.884 14.564 0.521 1.00 0.00 H new ATOM 0 HB2 LEU B 6 3.867 12.427 -1.401 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.533 13.491 -1.801 1.00 0.00 H new ATOM 0 HG LEU B 6 4.881 14.971 -0.869 1.00 0.00 H new ATOM 0 HD11 LEU B 6 6.257 14.567 -2.874 1.00 0.00 H new ATOM 0 HD12 LEU B 6 6.096 13.101 -1.878 1.00 0.00 H new ATOM 0 HD13 LEU B 6 5.144 13.271 -3.372 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.435 16.239 -2.942 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.252 15.004 -3.436 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.953 15.995 -1.988 1.00 0.00 H new ATOM 1577 N SER B 7 2.042 11.409 0.796 1.00 0.00 N ATOM 1578 CA SER B 7 0.933 10.507 1.081 1.00 0.00 C ATOM 1579 C SER B 7 0.985 10.040 2.531 1.00 0.00 C ATOM 1580 O SER B 7 1.779 9.168 2.885 1.00 0.00 O ATOM 1581 CB SER B 7 0.967 9.306 0.139 1.00 0.00 C ATOM 1582 OG SER B 7 0.319 9.601 -1.088 1.00 0.00 O ATOM 0 H SER B 7 2.961 10.967 0.815 1.00 0.00 H new ATOM 0 HA SER B 7 0.000 11.048 0.923 1.00 0.00 H new ATOM 0 HB2 SER B 7 2.001 9.019 -0.052 1.00 0.00 H new ATOM 0 HB3 SER B 7 0.482 8.453 0.614 1.00 0.00 H new ATOM 0 HG SER B 7 0.858 10.242 -1.597 1.00 0.00 H new ATOM 1588 N VAL B 8 0.142 10.631 3.369 1.00 0.00 N ATOM 1589 CA VAL B 8 0.101 10.283 4.784 1.00 0.00 C ATOM 1590 C VAL B 8 -0.716 9.016 5.025 1.00 0.00 C ATOM 1591 O VAL B 8 -1.183 8.379 4.081 1.00 0.00 O ATOM 1592 CB VAL B 8 -0.483 11.435 5.619 1.00 0.00 C ATOM 1593 CG1 VAL B 8 0.399 12.670 5.505 1.00 0.00 C ATOM 1594 CG2 VAL B 8 -1.906 11.747 5.180 1.00 0.00 C ATOM 0 H VAL B 8 -0.523 11.354 3.093 1.00 0.00 H new ATOM 0 HA VAL B 8 1.129 10.100 5.097 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.511 11.127 6.664 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -0.027 13.477 6.101 1.00 0.00 H new ATOM 0 HG12 VAL B 8 1.399 12.438 5.870 1.00 0.00 H new ATOM 0 HG13 VAL B 8 0.457 12.981 4.462 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -2.302 12.565 5.783 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -1.907 12.037 4.129 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -2.530 10.863 5.313 1.00 0.00 H new ATOM 1604 N ASN B 9 -0.873 8.648 6.296 1.00 0.00 N ATOM 1605 CA ASN B 9 -1.618 7.449 6.671 1.00 0.00 C ATOM 1606 C ASN B 9 -3.123 7.623 6.447 1.00 0.00 C ATOM 1607 O ASN B 9 -3.919 7.458 7.372 1.00 0.00 O ATOM 1608 CB ASN B 9 -1.319 7.098 8.133 1.00 0.00 C ATOM 1609 CG ASN B 9 -1.707 8.210 9.083 1.00 0.00 C ATOM 1610 OD1 ASN B 9 -1.406 9.379 8.843 1.00 0.00 O ATOM 1611 ND2 ASN B 9 -2.379 7.852 10.169 1.00 0.00 N ATOM 0 H ASN B 9 -0.491 9.167 7.087 1.00 0.00 H new ATOM 0 HA ASN B 9 -1.295 6.628 6.030 1.00 0.00 H new ATOM 0 HB2 ASN B 9 -1.856 6.189 8.403 1.00 0.00 H new ATOM 0 HB3 ASN B 9 -0.256 6.884 8.243 1.00 0.00 H new ATOM 0 HD21 ASN B 9 -2.668 8.558 10.846 1.00 0.00 H new ATOM 0 HD22 ASN B 9 -2.607 6.870 10.327 1.00 0.00 H new ATOM 1618 N ALA B 10 -3.506 7.977 5.216 1.00 0.00 N ATOM 1619 CA ALA B 10 -4.910 8.191 4.880 1.00 0.00 C ATOM 1620 C ALA B 10 -5.752 6.959 5.183 1.00 0.00 C ATOM 1621 O ALA B 10 -5.229 5.935 5.623 1.00 0.00 O ATOM 1622 CB ALA B 10 -5.043 8.569 3.414 1.00 0.00 C ATOM 0 H ALA B 10 -2.861 8.120 4.439 1.00 0.00 H new ATOM 0 HA ALA B 10 -5.282 9.008 5.499 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -6.094 8.727 3.173 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -4.485 9.486 3.223 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -4.645 7.766 2.794 1.00 0.00 H new ATOM 1628 N PRO B 11 -7.076 7.040 4.945 1.00 0.00 N ATOM 1629 CA PRO B 11 -7.992 5.919 5.185 1.00 0.00 C ATOM 1630 C PRO B 11 -7.495 4.635 4.536 1.00 0.00 C ATOM 1631 O PRO B 11 -6.371 4.576 4.046 1.00 0.00 O ATOM 1632 CB PRO B 11 -9.296 6.385 4.538 1.00 0.00 C ATOM 1633 CG PRO B 11 -9.231 7.872 4.585 1.00 0.00 C ATOM 1634 CD PRO B 11 -7.780 8.225 4.416 1.00 0.00 C ATOM 0 HA PRO B 11 -8.094 5.683 6.244 1.00 0.00 H new ATOM 0 HB2 PRO B 11 -9.380 6.025 3.513 1.00 0.00 H new ATOM 0 HB3 PRO B 11 -10.164 6.009 5.080 1.00 0.00 H new ATOM 0 HG2 PRO B 11 -9.836 8.315 3.794 1.00 0.00 H new ATOM 0 HG3 PRO B 11 -9.618 8.250 5.531 1.00 0.00 H new ATOM 0 HD2 PRO B 11 -7.530 8.408 3.371 1.00 0.00 H new ATOM 0 HD3 PRO B 11 -7.519 9.128 4.969 1.00 0.00 H new ATOM 1642 N GLU B 12 -8.340 3.615 4.487 1.00 0.00 N ATOM 1643 CA GLU B 12 -7.972 2.365 3.843 1.00 0.00 C ATOM 1644 C GLU B 12 -8.177 2.464 2.334 1.00 0.00 C ATOM 1645 O GLU B 12 -8.440 3.541 1.799 1.00 0.00 O ATOM 1646 CB GLU B 12 -8.788 1.204 4.413 1.00 0.00 C ATOM 1647 CG GLU B 12 -7.938 0.030 4.873 1.00 0.00 C ATOM 1648 CD GLU B 12 -7.059 0.376 6.059 1.00 0.00 C ATOM 1649 OE1 GLU B 12 -7.607 0.594 7.162 1.00 0.00 O ATOM 1650 OE2 GLU B 12 -5.823 0.429 5.887 1.00 0.00 O ATOM 0 H GLU B 12 -9.280 3.629 4.883 1.00 0.00 H new ATOM 0 HA GLU B 12 -6.917 2.175 4.041 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -9.379 1.565 5.254 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -9.491 0.858 3.655 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -8.589 -0.803 5.139 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -7.311 -0.306 4.047 1.00 0.00 H new ATOM 1657 N PHE B 13 -8.063 1.327 1.662 1.00 0.00 N ATOM 1658 CA PHE B 13 -8.247 1.288 0.218 1.00 0.00 C ATOM 1659 C PHE B 13 -9.622 0.716 -0.119 1.00 0.00 C ATOM 1660 O PHE B 13 -9.906 -0.461 0.101 1.00 0.00 O ATOM 1661 CB PHE B 13 -7.122 0.507 -0.461 1.00 0.00 C ATOM 1662 CG PHE B 13 -7.051 -0.946 -0.103 1.00 0.00 C ATOM 1663 CD1 PHE B 13 -6.371 -1.378 1.026 1.00 0.00 C ATOM 1664 CD2 PHE B 13 -7.649 -1.884 -0.917 1.00 0.00 C ATOM 1665 CE1 PHE B 13 -6.294 -2.724 1.326 1.00 0.00 C ATOM 1666 CE2 PHE B 13 -7.578 -3.227 -0.622 1.00 0.00 C ATOM 1667 CZ PHE B 13 -6.898 -3.649 0.498 1.00 0.00 C ATOM 0 H PHE B 13 -7.846 0.426 2.089 1.00 0.00 H new ATOM 0 HA PHE B 13 -8.202 2.306 -0.169 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -7.241 0.594 -1.541 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -6.171 0.975 -0.207 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -5.898 -0.656 1.676 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -8.181 -1.561 -1.799 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -5.762 -3.052 2.207 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -8.055 -3.949 -1.269 1.00 0.00 H new ATOM 0 HZ PHE B 13 -6.837 -4.702 0.729 1.00 0.00 H new ATOM 1677 N TYR B 14 -10.469 1.595 -0.659 1.00 0.00 N ATOM 1678 CA TYR B 14 -11.832 1.245 -1.053 1.00 0.00 C ATOM 1679 C TYR B 14 -12.064 1.443 -2.554 1.00 0.00 C ATOM 1680 O TYR B 14 -11.201 1.966 -3.259 1.00 0.00 O ATOM 1681 CB TYR B 14 -12.823 2.068 -0.233 1.00 0.00 C ATOM 1682 CG TYR B 14 -13.333 1.329 0.983 1.00 0.00 C ATOM 1683 CD1 TYR B 14 -12.476 0.994 2.026 1.00 0.00 C ATOM 1684 CD2 TYR B 14 -14.668 0.958 1.087 1.00 0.00 C ATOM 1685 CE1 TYR B 14 -12.937 0.312 3.136 1.00 0.00 C ATOM 1686 CE2 TYR B 14 -15.135 0.275 2.192 1.00 0.00 C ATOM 1687 CZ TYR B 14 -14.266 -0.044 3.215 1.00 0.00 C ATOM 1688 OH TYR B 14 -14.730 -0.725 4.317 1.00 0.00 O ATOM 0 H TYR B 14 -10.227 2.570 -0.835 1.00 0.00 H new ATOM 0 HA TYR B 14 -11.986 0.185 -0.851 1.00 0.00 H new ATOM 0 HB2 TYR B 14 -12.344 2.994 0.085 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -13.667 2.346 -0.864 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -11.434 1.271 1.967 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -15.352 1.208 0.290 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -12.259 0.059 3.938 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -16.175 -0.008 2.255 1.00 0.00 H new ATOM 0 HH TYR B 14 -15.689 -0.898 4.215 1.00 0.00 H new ATOM 1698 N PRO B 15 -13.244 1.034 -3.068 1.00 0.00 N ATOM 1699 CA PRO B 15 -13.584 1.177 -4.491 1.00 0.00 C ATOM 1700 C PRO B 15 -13.599 2.622 -4.975 1.00 0.00 C ATOM 1701 O PRO B 15 -14.643 3.279 -5.014 1.00 0.00 O ATOM 1702 CB PRO B 15 -14.983 0.591 -4.600 1.00 0.00 C ATOM 1703 CG PRO B 15 -15.522 0.601 -3.212 1.00 0.00 C ATOM 1704 CD PRO B 15 -14.337 0.391 -2.317 1.00 0.00 C ATOM 0 HA PRO B 15 -12.837 0.679 -5.110 1.00 0.00 H new ATOM 0 HB2 PRO B 15 -15.607 1.184 -5.269 1.00 0.00 H new ATOM 0 HB3 PRO B 15 -14.955 -0.421 -5.004 1.00 0.00 H new ATOM 0 HG2 PRO B 15 -16.017 1.546 -2.991 1.00 0.00 H new ATOM 0 HG3 PRO B 15 -16.262 -0.187 -3.073 1.00 0.00 H new ATOM 0 HD2 PRO B 15 -14.482 0.851 -1.339 1.00 0.00 H new ATOM 0 HD3 PRO B 15 -14.142 -0.668 -2.145 1.00 0.00 H new ATOM 1712 N SER B 16 -12.437 3.091 -5.378 1.00 0.00 N ATOM 1713 CA SER B 16 -12.285 4.441 -5.894 1.00 0.00 C ATOM 1714 C SER B 16 -13.260 4.686 -7.047 1.00 0.00 C ATOM 1715 O SER B 16 -14.128 5.558 -6.966 1.00 0.00 O ATOM 1716 CB SER B 16 -10.842 4.636 -6.357 1.00 0.00 C ATOM 1717 OG SER B 16 -10.428 5.986 -6.230 1.00 0.00 O ATOM 0 H SER B 16 -11.572 2.551 -5.359 1.00 0.00 H new ATOM 0 HA SER B 16 -12.512 5.160 -5.107 1.00 0.00 H new ATOM 0 HB2 SER B 16 -10.182 3.996 -5.771 1.00 0.00 H new ATOM 0 HB3 SER B 16 -10.748 4.323 -7.397 1.00 0.00 H new ATOM 0 HG SER B 16 -10.271 6.192 -5.285 1.00 0.00 H new ATOM 1723 N GLY B 17 -13.120 3.899 -8.107 1.00 0.00 N ATOM 1724 CA GLY B 17 -13.999 4.023 -9.255 1.00 0.00 C ATOM 1725 C GLY B 17 -15.273 3.215 -9.102 1.00 0.00 C ATOM 1726 O GLY B 17 -15.598 2.393 -9.959 1.00 0.00 O ATOM 0 H GLY B 17 -12.409 3.173 -8.192 1.00 0.00 H new ATOM 0 HA2 GLY B 17 -14.254 5.073 -9.401 1.00 0.00 H new ATOM 0 HA3 GLY B 17 -13.470 3.695 -10.150 1.00 0.00 H new ATOM 1730 N TYR B 18 -16.002 3.449 -8.015 1.00 0.00 N ATOM 1731 CA TYR B 18 -17.253 2.740 -7.766 1.00 0.00 C ATOM 1732 C TYR B 18 -18.406 3.381 -8.538 1.00 0.00 C ATOM 1733 O TYR B 18 -19.412 3.783 -7.952 1.00 0.00 O ATOM 1734 CB TYR B 18 -17.565 2.752 -6.274 1.00 0.00 C ATOM 1735 CG TYR B 18 -18.423 1.596 -5.822 1.00 0.00 C ATOM 1736 CD1 TYR B 18 -17.855 0.369 -5.506 1.00 0.00 C ATOM 1737 CD2 TYR B 18 -19.796 1.737 -5.697 1.00 0.00 C ATOM 1738 CE1 TYR B 18 -18.634 -0.687 -5.078 1.00 0.00 C ATOM 1739 CE2 TYR B 18 -20.583 0.687 -5.266 1.00 0.00 C ATOM 1740 CZ TYR B 18 -19.997 -0.521 -4.957 1.00 0.00 C ATOM 1741 OH TYR B 18 -20.774 -1.570 -4.524 1.00 0.00 O ATOM 0 H TYR B 18 -15.748 4.123 -7.293 1.00 0.00 H new ATOM 0 HA TYR B 18 -17.138 1.711 -8.107 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -16.629 2.737 -5.716 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -18.069 3.686 -6.025 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -16.787 0.239 -5.597 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -20.258 2.683 -5.940 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -18.179 -1.637 -4.840 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -21.652 0.812 -5.172 1.00 0.00 H new ATOM 0 HH TYR B 18 -21.713 -1.290 -4.492 1.00 0.00 H new ATOM 1751 N SER B 19 -18.255 3.477 -9.853 1.00 0.00 N ATOM 1752 CA SER B 19 -19.280 4.077 -10.697 1.00 0.00 C ATOM 1753 C SER B 19 -20.446 3.116 -10.911 1.00 0.00 C ATOM 1754 O SER B 19 -20.414 2.273 -11.807 1.00 0.00 O ATOM 1755 CB SER B 19 -18.681 4.489 -12.041 1.00 0.00 C ATOM 1756 OG SER B 19 -18.979 5.841 -12.338 1.00 0.00 O ATOM 0 H SER B 19 -17.433 3.147 -10.358 1.00 0.00 H new ATOM 0 HA SER B 19 -19.661 4.964 -10.191 1.00 0.00 H new ATOM 0 HB2 SER B 19 -17.600 4.348 -12.020 1.00 0.00 H new ATOM 0 HB3 SER B 19 -19.071 3.845 -12.829 1.00 0.00 H new ATOM 0 HG SER B 19 -18.583 6.081 -13.202 1.00 0.00 H new ATOM 1762 N SER B 20 -21.476 3.254 -10.084 1.00 0.00 N ATOM 1763 CA SER B 20 -22.654 2.401 -10.182 1.00 0.00 C ATOM 1764 C SER B 20 -23.605 2.914 -11.260 1.00 0.00 C ATOM 1765 O SER B 20 -24.664 3.465 -10.961 1.00 0.00 O ATOM 1766 CB SER B 20 -23.369 2.327 -8.831 1.00 0.00 C ATOM 1767 OG SER B 20 -23.583 0.982 -8.441 1.00 0.00 O ATOM 0 H SER B 20 -21.519 3.949 -9.338 1.00 0.00 H new ATOM 0 HA SER B 20 -22.330 1.399 -10.462 1.00 0.00 H new ATOM 0 HB2 SER B 20 -22.776 2.839 -8.073 1.00 0.00 H new ATOM 0 HB3 SER B 20 -24.325 2.848 -8.893 1.00 0.00 H new ATOM 0 HG SER B 20 -24.040 0.961 -7.574 1.00 0.00 H new ATOM 1773 N SER B 21 -23.219 2.728 -12.519 1.00 0.00 N ATOM 1774 CA SER B 21 -24.038 3.171 -13.643 1.00 0.00 C ATOM 1775 C SER B 21 -24.590 1.978 -14.416 1.00 0.00 C ATOM 1776 O SER B 21 -25.796 1.734 -14.425 1.00 0.00 O ATOM 1777 CB SER B 21 -23.224 4.067 -14.576 1.00 0.00 C ATOM 1778 OG SER B 21 -22.121 4.645 -13.899 1.00 0.00 O ATOM 0 H SER B 21 -22.346 2.274 -12.786 1.00 0.00 H new ATOM 0 HA SER B 21 -24.876 3.743 -13.245 1.00 0.00 H new ATOM 0 HB2 SER B 21 -22.868 3.484 -15.425 1.00 0.00 H new ATOM 0 HB3 SER B 21 -23.862 4.855 -14.976 1.00 0.00 H new ATOM 0 HG SER B 21 -21.617 5.212 -14.519 1.00 0.00 H new ATOM 1784 N TYR B 22 -23.698 1.237 -15.067 1.00 0.00 N ATOM 1785 CA TYR B 22 -24.097 0.070 -15.845 1.00 0.00 C ATOM 1786 C TYR B 22 -23.776 -1.217 -15.094 1.00 0.00 C ATOM 1787 O TYR B 22 -23.879 -2.299 -15.708 1.00 0.00 O ATOM 1788 CB TYR B 22 -23.392 0.072 -17.202 1.00 0.00 C ATOM 1789 CG TYR B 22 -23.666 1.310 -18.027 1.00 0.00 C ATOM 1790 CD1 TYR B 22 -24.784 1.387 -18.848 1.00 0.00 C ATOM 1791 CD2 TYR B 22 -22.807 2.401 -17.983 1.00 0.00 C ATOM 1792 CE1 TYR B 22 -25.037 2.516 -19.604 1.00 0.00 C ATOM 1793 CE2 TYR B 22 -23.054 3.534 -18.736 1.00 0.00 C ATOM 1794 CZ TYR B 22 -24.170 3.586 -19.544 1.00 0.00 C ATOM 1795 OH TYR B 22 -24.421 4.711 -20.294 1.00 0.00 O ATOM 1796 OXT TYR B 22 -23.422 -1.132 -13.899 1.00 0.00 O ATOM 0 H TYR B 22 -22.695 1.424 -15.071 1.00 0.00 H new ATOM 0 HA TYR B 22 -25.174 0.119 -16.003 1.00 0.00 H new ATOM 0 HB2 TYR B 22 -22.317 -0.018 -17.043 1.00 0.00 H new ATOM 0 HB3 TYR B 22 -23.706 -0.807 -17.766 1.00 0.00 H new ATOM 0 HD1 TYR B 22 -25.466 0.551 -18.896 1.00 0.00 H new ATOM 0 HD2 TYR B 22 -21.932 2.364 -17.351 1.00 0.00 H new ATOM 0 HE1 TYR B 22 -25.910 2.560 -20.239 1.00 0.00 H new ATOM 0 HE2 TYR B 22 -22.376 4.374 -18.692 1.00 0.00 H new ATOM 0 HH TYR B 22 -23.716 5.373 -20.137 1.00 0.00 H new TER 1806 TYR B 22