USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 937 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 67 HIS : no HD1:sc= -12! C(o=-16!,f=-14!) USER MOD Set 1.2: A 112 GLN : amide:sc= -4.32! K(o=-16!,f=-15) USER MOD Set 2.1: A 75 THR OG1 : rot -70:sc= 0.186 USER MOD Set 2.2: A 77 HIS : no HD1:sc= -0.244 X(o=-0.059,f=-0.21) USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.0826 (180deg=0) USER MOD Single : A 2 SER OG : rot -13:sc= 0.793 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.175 K(o=-0.18,f=-2.5!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= 0.651 K(o=0.65,f=-0.15) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl -173:sc= -0.589 (180deg=-0.702) USER MOD Single : A 19 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00157) USER MOD Single : A 27 HIS : no HD1:sc= -3.88! C(o=-3.9!,f=-2.9!) USER MOD Single : A 28 GLN : amide:sc= -0.0487 X(o=-0.049,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot -91:sc= 0.0373 USER MOD Single : A 32 CYS SG : rot 130:sc= -1.81 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0129 USER MOD Single : A 40 CYS SG : rot 180:sc= 0.0467 USER MOD Single : A 42 TYR OH : rot -133:sc= 0.144 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc= -0.017 X(o=-0.017,f=-0.12) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 CYS SG : rot 150:sc= -1.09 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.0184 X(o=-0.018,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0.16) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 THR OG1 : rot -170:sc= -0.0228 USER MOD Single : A 95 TYR OH : rot 122:sc= 0.00303 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 CYS SG : rot 137:sc= 0.0648 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 LYS NZ :NH3+ 165:sc=-0.000639 (180deg=-0.098) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= 0.713 K(o=0.71,f=-0.36) USER MOD Single : A 113 ASN : amide:sc= -0.524 K(o=-0.52,f=-0.0053) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot -81:sc= -0.457 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.959 -8.784 7.534 1.00 0.00 N ATOM 2 CA GLY A 1 21.740 -9.700 6.724 1.00 0.00 C ATOM 3 C GLY A 1 21.324 -9.684 5.266 1.00 0.00 C ATOM 4 O GLY A 1 20.360 -9.015 4.896 1.00 0.00 O ATOM 0 H1 GLY A 1 21.588 -8.072 7.957 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.251 -8.310 6.937 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.477 -9.313 8.289 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.795 -9.438 6.800 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.633 -10.711 7.118 1.00 0.00 H new ATOM 8 N SER A 2 22.055 -10.422 4.436 1.00 0.00 N ATOM 9 CA SER A 2 21.760 -10.485 3.009 1.00 0.00 C ATOM 10 C SER A 2 22.338 -11.755 2.391 1.00 0.00 C ATOM 11 O SER A 2 23.530 -12.034 2.519 1.00 0.00 O ATOM 12 CB SER A 2 22.323 -9.255 2.295 1.00 0.00 C ATOM 13 OG SER A 2 21.729 -8.065 2.785 1.00 0.00 O ATOM 0 H SER A 2 22.855 -10.984 4.727 1.00 0.00 H new ATOM 0 HA SER A 2 20.677 -10.502 2.887 1.00 0.00 H new ATOM 0 HB2 SER A 2 23.403 -9.211 2.436 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.145 -9.340 1.223 1.00 0.00 H new ATOM 0 HG SER A 2 20.941 -8.290 3.322 1.00 0.00 H new ATOM 19 N SER A 3 21.484 -12.521 1.720 1.00 0.00 N ATOM 20 CA SER A 3 21.907 -13.763 1.085 1.00 0.00 C ATOM 21 C SER A 3 22.400 -13.506 -0.336 1.00 0.00 C ATOM 22 O SER A 3 23.532 -13.841 -0.682 1.00 0.00 O ATOM 23 CB SER A 3 20.754 -14.768 1.063 1.00 0.00 C ATOM 24 OG SER A 3 21.101 -15.927 0.325 1.00 0.00 O ATOM 0 H SER A 3 20.495 -12.303 1.602 1.00 0.00 H new ATOM 0 HA SER A 3 22.730 -14.178 1.667 1.00 0.00 H new ATOM 0 HB2 SER A 3 20.492 -15.048 2.083 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.871 -14.304 0.623 1.00 0.00 H new ATOM 0 HG SER A 3 20.348 -16.554 0.327 1.00 0.00 H new ATOM 30 N GLY A 4 21.540 -12.909 -1.155 1.00 0.00 N ATOM 31 CA GLY A 4 21.904 -12.617 -2.529 1.00 0.00 C ATOM 32 C GLY A 4 20.942 -13.229 -3.527 1.00 0.00 C ATOM 33 O GLY A 4 20.905 -14.448 -3.697 1.00 0.00 O ATOM 0 H GLY A 4 20.597 -12.622 -0.891 1.00 0.00 H new ATOM 0 HA2 GLY A 4 21.932 -11.537 -2.672 1.00 0.00 H new ATOM 0 HA3 GLY A 4 22.909 -12.991 -2.722 1.00 0.00 H new ATOM 37 N SER A 5 20.160 -12.383 -4.189 1.00 0.00 N ATOM 38 CA SER A 5 19.188 -12.848 -5.172 1.00 0.00 C ATOM 39 C SER A 5 19.240 -11.993 -6.434 1.00 0.00 C ATOM 40 O SER A 5 18.827 -10.834 -6.429 1.00 0.00 O ATOM 41 CB SER A 5 17.778 -12.819 -4.580 1.00 0.00 C ATOM 42 OG SER A 5 16.826 -13.315 -5.505 1.00 0.00 O ATOM 0 H SER A 5 20.180 -11.371 -4.063 1.00 0.00 H new ATOM 0 HA SER A 5 19.441 -13.874 -5.439 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.750 -13.417 -3.669 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.519 -11.798 -4.299 1.00 0.00 H new ATOM 0 HG SER A 5 15.933 -13.287 -5.102 1.00 0.00 H new ATOM 48 N SER A 6 19.750 -12.575 -7.515 1.00 0.00 N ATOM 49 CA SER A 6 19.860 -11.866 -8.785 1.00 0.00 C ATOM 50 C SER A 6 19.257 -12.688 -9.920 1.00 0.00 C ATOM 51 O SER A 6 19.851 -13.664 -10.378 1.00 0.00 O ATOM 52 CB SER A 6 21.326 -11.551 -9.091 1.00 0.00 C ATOM 53 OG SER A 6 21.434 -10.518 -10.055 1.00 0.00 O ATOM 0 H SER A 6 20.093 -13.535 -7.537 1.00 0.00 H new ATOM 0 HA SER A 6 19.304 -10.932 -8.701 1.00 0.00 H new ATOM 0 HB2 SER A 6 21.836 -11.253 -8.175 1.00 0.00 H new ATOM 0 HB3 SER A 6 21.826 -12.448 -9.457 1.00 0.00 H new ATOM 0 HG SER A 6 22.380 -10.334 -10.232 1.00 0.00 H new ATOM 59 N GLY A 7 18.072 -12.286 -10.368 1.00 0.00 N ATOM 60 CA GLY A 7 17.407 -12.996 -11.445 1.00 0.00 C ATOM 61 C GLY A 7 15.911 -12.750 -11.465 1.00 0.00 C ATOM 62 O GLY A 7 15.272 -12.597 -10.424 1.00 0.00 O ATOM 0 H GLY A 7 17.561 -11.482 -10.005 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.836 -12.687 -12.399 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.595 -14.065 -11.342 1.00 0.00 H new ATOM 66 N PRO A 8 15.330 -12.708 -12.673 1.00 0.00 N ATOM 67 CA PRO A 8 13.893 -12.479 -12.853 1.00 0.00 C ATOM 68 C PRO A 8 13.054 -13.661 -12.381 1.00 0.00 C ATOM 69 O PRO A 8 13.117 -14.748 -12.956 1.00 0.00 O ATOM 70 CB PRO A 8 13.751 -12.291 -14.365 1.00 0.00 C ATOM 71 CG PRO A 8 14.909 -13.023 -14.949 1.00 0.00 C ATOM 72 CD PRO A 8 16.030 -12.883 -13.956 1.00 0.00 C ATOM 0 HA PRO A 8 13.539 -11.629 -12.269 1.00 0.00 H new ATOM 0 HB2 PRO A 8 12.805 -12.694 -14.727 1.00 0.00 H new ATOM 0 HB3 PRO A 8 13.772 -11.236 -14.636 1.00 0.00 H new ATOM 0 HG2 PRO A 8 14.664 -14.072 -15.116 1.00 0.00 H new ATOM 0 HG3 PRO A 8 15.189 -12.604 -15.915 1.00 0.00 H new ATOM 0 HD2 PRO A 8 16.671 -13.765 -13.947 1.00 0.00 H new ATOM 0 HD3 PRO A 8 16.666 -12.029 -14.186 1.00 0.00 H new ATOM 80 N TYR A 9 12.267 -13.442 -11.333 1.00 0.00 N ATOM 81 CA TYR A 9 11.416 -14.491 -10.784 1.00 0.00 C ATOM 82 C TYR A 9 9.945 -14.092 -10.855 1.00 0.00 C ATOM 83 O TYR A 9 9.615 -12.950 -11.172 1.00 0.00 O ATOM 84 CB TYR A 9 11.807 -14.786 -9.335 1.00 0.00 C ATOM 85 CG TYR A 9 12.968 -15.746 -9.204 1.00 0.00 C ATOM 86 CD1 TYR A 9 14.186 -15.481 -9.816 1.00 0.00 C ATOM 87 CD2 TYR A 9 12.846 -16.917 -8.466 1.00 0.00 C ATOM 88 CE1 TYR A 9 15.249 -16.355 -9.700 1.00 0.00 C ATOM 89 CE2 TYR A 9 13.904 -17.797 -8.343 1.00 0.00 C ATOM 90 CZ TYR A 9 15.104 -17.511 -8.962 1.00 0.00 C ATOM 91 OH TYR A 9 16.161 -18.384 -8.842 1.00 0.00 O ATOM 0 H TYR A 9 12.201 -12.548 -10.847 1.00 0.00 H new ATOM 0 HA TYR A 9 11.558 -15.391 -11.383 1.00 0.00 H new ATOM 0 HB2 TYR A 9 12.063 -13.850 -8.839 1.00 0.00 H new ATOM 0 HB3 TYR A 9 10.944 -15.199 -8.812 1.00 0.00 H new ATOM 0 HD1 TYR A 9 14.304 -14.576 -10.393 1.00 0.00 H new ATOM 0 HD2 TYR A 9 11.908 -17.143 -7.980 1.00 0.00 H new ATOM 0 HE1 TYR A 9 16.189 -16.134 -10.185 1.00 0.00 H new ATOM 0 HE2 TYR A 9 13.793 -18.703 -7.766 1.00 0.00 H new ATOM 0 HH TYR A 9 15.894 -19.147 -8.289 1.00 0.00 H new ATOM 101 N ASN A 10 9.066 -15.043 -10.557 1.00 0.00 N ATOM 102 CA ASN A 10 7.630 -14.792 -10.586 1.00 0.00 C ATOM 103 C ASN A 10 7.270 -13.588 -9.722 1.00 0.00 C ATOM 104 O ASN A 10 6.583 -12.670 -10.171 1.00 0.00 O ATOM 105 CB ASN A 10 6.866 -16.027 -10.105 1.00 0.00 C ATOM 106 CG ASN A 10 5.477 -16.119 -10.707 1.00 0.00 C ATOM 107 OD1 ASN A 10 5.096 -15.300 -11.543 1.00 0.00 O ATOM 108 ND2 ASN A 10 4.714 -17.120 -10.284 1.00 0.00 N ATOM 0 H ASN A 10 9.323 -15.994 -10.293 1.00 0.00 H new ATOM 0 HA ASN A 10 7.345 -14.575 -11.615 1.00 0.00 H new ATOM 0 HB2 ASN A 10 7.431 -16.923 -10.362 1.00 0.00 H new ATOM 0 HB3 ASN A 10 6.787 -16.001 -9.018 1.00 0.00 H new ATOM 0 HD21 ASN A 10 3.770 -17.233 -10.654 1.00 0.00 H new ATOM 0 HD22 ASN A 10 5.072 -17.776 -9.589 1.00 0.00 H new ATOM 115 N LYS A 11 7.738 -13.598 -8.479 1.00 0.00 N ATOM 116 CA LYS A 11 7.468 -12.507 -7.550 1.00 0.00 C ATOM 117 C LYS A 11 7.429 -11.168 -8.280 1.00 0.00 C ATOM 118 O LYS A 11 8.189 -10.941 -9.220 1.00 0.00 O ATOM 119 CB LYS A 11 8.533 -12.469 -6.451 1.00 0.00 C ATOM 120 CG LYS A 11 8.236 -13.395 -5.284 1.00 0.00 C ATOM 121 CD LYS A 11 9.191 -13.156 -4.126 1.00 0.00 C ATOM 122 CE LYS A 11 9.119 -14.280 -3.104 1.00 0.00 C ATOM 123 NZ LYS A 11 10.053 -14.056 -1.966 1.00 0.00 N ATOM 0 H LYS A 11 8.307 -14.350 -8.091 1.00 0.00 H new ATOM 0 HA LYS A 11 6.493 -12.683 -7.096 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.497 -12.739 -6.882 1.00 0.00 H new ATOM 0 HB3 LYS A 11 8.624 -11.448 -6.080 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.210 -13.242 -4.949 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.313 -14.432 -5.612 1.00 0.00 H new ATOM 0 HD2 LYS A 11 10.210 -13.071 -4.504 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.950 -12.208 -3.644 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.100 -14.363 -2.726 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.357 -15.227 -3.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.974 -14.844 -1.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.028 -14.002 -2.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 9.810 -13.165 -1.488 1.00 0.00 H new ATOM 137 N ASN A 12 6.538 -10.285 -7.840 1.00 0.00 N ATOM 138 CA ASN A 12 6.401 -8.969 -8.451 1.00 0.00 C ATOM 139 C ASN A 12 7.564 -8.063 -8.060 1.00 0.00 C ATOM 140 O ASN A 12 8.135 -7.370 -8.900 1.00 0.00 O ATOM 141 CB ASN A 12 5.076 -8.326 -8.035 1.00 0.00 C ATOM 142 CG ASN A 12 4.966 -6.883 -8.488 1.00 0.00 C ATOM 143 OD1 ASN A 12 5.272 -6.555 -9.635 1.00 0.00 O ATOM 144 ND2 ASN A 12 4.528 -6.011 -7.587 1.00 0.00 N ATOM 0 H ASN A 12 5.901 -10.458 -7.063 1.00 0.00 H new ATOM 0 HA ASN A 12 6.412 -9.096 -9.534 1.00 0.00 H new ATOM 0 HB2 ASN A 12 4.249 -8.900 -8.455 1.00 0.00 H new ATOM 0 HB3 ASN A 12 4.978 -8.372 -6.950 1.00 0.00 H new ATOM 0 HD21 ASN A 12 4.434 -5.026 -7.834 1.00 0.00 H new ATOM 0 HD22 ASN A 12 4.286 -6.326 -6.648 1.00 0.00 H new ATOM 151 N GLY A 13 7.910 -8.074 -6.776 1.00 0.00 N ATOM 152 CA GLY A 13 9.003 -7.250 -6.294 1.00 0.00 C ATOM 153 C GLY A 13 8.868 -6.908 -4.824 1.00 0.00 C ATOM 154 O GLY A 13 9.852 -6.575 -4.163 1.00 0.00 O ATOM 0 H GLY A 13 7.452 -8.639 -6.061 1.00 0.00 H new ATOM 0 HA2 GLY A 13 9.946 -7.772 -6.457 1.00 0.00 H new ATOM 0 HA3 GLY A 13 9.043 -6.329 -6.876 1.00 0.00 H new ATOM 158 N PHE A 14 7.645 -6.989 -4.309 1.00 0.00 N ATOM 159 CA PHE A 14 7.384 -6.683 -2.908 1.00 0.00 C ATOM 160 C PHE A 14 8.231 -7.562 -1.992 1.00 0.00 C ATOM 161 O PHE A 14 8.796 -8.566 -2.424 1.00 0.00 O ATOM 162 CB PHE A 14 5.900 -6.877 -2.589 1.00 0.00 C ATOM 163 CG PHE A 14 5.018 -5.805 -3.164 1.00 0.00 C ATOM 164 CD1 PHE A 14 4.864 -4.593 -2.511 1.00 0.00 C ATOM 165 CD2 PHE A 14 4.345 -6.009 -4.357 1.00 0.00 C ATOM 166 CE1 PHE A 14 4.053 -3.605 -3.037 1.00 0.00 C ATOM 167 CE2 PHE A 14 3.532 -5.025 -4.889 1.00 0.00 C ATOM 168 CZ PHE A 14 3.388 -3.821 -4.228 1.00 0.00 C ATOM 0 H PHE A 14 6.820 -7.264 -4.841 1.00 0.00 H new ATOM 0 HA PHE A 14 7.653 -5.641 -2.734 1.00 0.00 H new ATOM 0 HB2 PHE A 14 5.578 -7.845 -2.972 1.00 0.00 H new ATOM 0 HB3 PHE A 14 5.769 -6.902 -1.507 1.00 0.00 H new ATOM 0 HD1 PHE A 14 5.383 -4.418 -1.580 1.00 0.00 H new ATOM 0 HD2 PHE A 14 4.456 -6.948 -4.878 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.939 -2.665 -2.517 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.011 -5.198 -5.819 1.00 0.00 H new ATOM 0 HZ PHE A 14 2.756 -3.049 -4.642 1.00 0.00 H new ATOM 178 N LYS A 15 8.315 -7.175 -0.723 1.00 0.00 N ATOM 179 CA LYS A 15 9.092 -7.926 0.256 1.00 0.00 C ATOM 180 C LYS A 15 8.455 -7.839 1.639 1.00 0.00 C ATOM 181 O LYS A 15 7.920 -6.798 2.022 1.00 0.00 O ATOM 182 CB LYS A 15 10.528 -7.400 0.310 1.00 0.00 C ATOM 183 CG LYS A 15 11.221 -7.383 -1.042 1.00 0.00 C ATOM 184 CD LYS A 15 11.663 -8.775 -1.460 1.00 0.00 C ATOM 185 CE LYS A 15 11.907 -8.855 -2.959 1.00 0.00 C ATOM 186 NZ LYS A 15 13.182 -8.191 -3.349 1.00 0.00 N ATOM 0 H LYS A 15 7.854 -6.345 -0.349 1.00 0.00 H new ATOM 0 HA LYS A 15 9.106 -8.971 -0.053 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.521 -6.389 0.718 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.106 -8.017 0.998 1.00 0.00 H new ATOM 0 HG2 LYS A 15 10.545 -6.974 -1.793 1.00 0.00 H new ATOM 0 HG3 LYS A 15 12.087 -6.723 -0.999 1.00 0.00 H new ATOM 0 HD2 LYS A 15 12.575 -9.044 -0.927 1.00 0.00 H new ATOM 0 HD3 LYS A 15 10.901 -9.501 -1.175 1.00 0.00 H new ATOM 0 HE2 LYS A 15 11.932 -9.900 -3.268 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.077 -8.387 -3.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 13.312 -8.267 -4.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 13.148 -7.188 -3.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 13.977 -8.654 -2.864 1.00 0.00 H new ATOM 200 N VAL A 16 8.517 -8.937 2.385 1.00 0.00 N ATOM 201 CA VAL A 16 7.948 -8.983 3.726 1.00 0.00 C ATOM 202 C VAL A 16 8.504 -7.863 4.598 1.00 0.00 C ATOM 203 O VAL A 16 9.715 -7.656 4.663 1.00 0.00 O ATOM 204 CB VAL A 16 8.227 -10.336 4.408 1.00 0.00 C ATOM 205 CG1 VAL A 16 7.670 -10.346 5.823 1.00 0.00 C ATOM 206 CG2 VAL A 16 7.644 -11.476 3.588 1.00 0.00 C ATOM 0 H VAL A 16 8.956 -9.807 2.083 1.00 0.00 H new ATOM 0 HA VAL A 16 6.871 -8.854 3.617 1.00 0.00 H new ATOM 0 HB VAL A 16 9.306 -10.477 4.468 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.877 -11.310 6.289 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.141 -9.553 6.405 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.593 -10.182 5.791 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.850 -12.424 4.085 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.566 -11.343 3.494 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.097 -11.480 2.596 1.00 0.00 H new ATOM 216 N GLY A 17 7.610 -7.142 5.267 1.00 0.00 N ATOM 217 CA GLY A 17 8.030 -6.051 6.127 1.00 0.00 C ATOM 218 C GLY A 17 7.592 -4.698 5.602 1.00 0.00 C ATOM 219 O GLY A 17 7.088 -3.866 6.356 1.00 0.00 O ATOM 0 H GLY A 17 6.602 -7.294 5.229 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.619 -6.200 7.125 1.00 0.00 H new ATOM 0 HA3 GLY A 17 9.116 -6.066 6.224 1.00 0.00 H new ATOM 223 N MET A 18 7.786 -4.476 4.306 1.00 0.00 N ATOM 224 CA MET A 18 7.407 -3.214 3.682 1.00 0.00 C ATOM 225 C MET A 18 5.930 -2.914 3.915 1.00 0.00 C ATOM 226 O MET A 18 5.060 -3.708 3.555 1.00 0.00 O ATOM 227 CB MET A 18 7.701 -3.254 2.181 1.00 0.00 C ATOM 228 CG MET A 18 9.181 -3.155 1.849 1.00 0.00 C ATOM 229 SD MET A 18 9.481 -2.472 0.207 1.00 0.00 S ATOM 230 CE MET A 18 9.333 -3.944 -0.803 1.00 0.00 C ATOM 0 H MET A 18 8.203 -5.154 3.668 1.00 0.00 H new ATOM 0 HA MET A 18 7.997 -2.420 4.139 1.00 0.00 H new ATOM 0 HB2 MET A 18 7.305 -4.181 1.766 1.00 0.00 H new ATOM 0 HB3 MET A 18 7.172 -2.435 1.693 1.00 0.00 H new ATOM 0 HG2 MET A 18 9.675 -2.531 2.594 1.00 0.00 H new ATOM 0 HG3 MET A 18 9.631 -4.146 1.914 1.00 0.00 H new ATOM 0 HE1 MET A 18 9.615 -3.711 -1.830 1.00 0.00 H new ATOM 0 HE2 MET A 18 9.992 -4.720 -0.414 1.00 0.00 H new ATOM 0 HE3 MET A 18 8.302 -4.298 -0.781 1.00 0.00 H new ATOM 240 N LYS A 19 5.652 -1.763 4.519 1.00 0.00 N ATOM 241 CA LYS A 19 4.280 -1.358 4.799 1.00 0.00 C ATOM 242 C LYS A 19 3.671 -0.636 3.601 1.00 0.00 C ATOM 243 O LYS A 19 4.385 -0.044 2.791 1.00 0.00 O ATOM 244 CB LYS A 19 4.236 -0.451 6.031 1.00 0.00 C ATOM 245 CG LYS A 19 4.866 -1.071 7.266 1.00 0.00 C ATOM 246 CD LYS A 19 5.247 -0.014 8.288 1.00 0.00 C ATOM 247 CE LYS A 19 6.162 -0.581 9.362 1.00 0.00 C ATOM 248 NZ LYS A 19 6.592 0.463 10.333 1.00 0.00 N ATOM 0 H LYS A 19 6.359 -1.094 4.824 1.00 0.00 H new ATOM 0 HA LYS A 19 3.695 -2.256 4.996 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.749 0.483 5.802 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.198 -0.200 6.250 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.169 -1.778 7.715 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.752 -1.637 6.978 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.744 0.816 7.786 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.346 0.387 8.751 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.646 -1.381 9.893 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.040 -1.025 8.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.228 0.040 11.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.092 1.222 9.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.757 0.857 10.812 1.00 0.00 H new ATOM 262 N LEU A 20 2.347 -0.687 3.496 1.00 0.00 N ATOM 263 CA LEU A 20 1.642 -0.036 2.397 1.00 0.00 C ATOM 264 C LEU A 20 0.170 0.170 2.742 1.00 0.00 C ATOM 265 O LEU A 20 -0.265 -0.131 3.853 1.00 0.00 O ATOM 266 CB LEU A 20 1.767 -0.868 1.120 1.00 0.00 C ATOM 267 CG LEU A 20 1.004 -2.194 1.106 1.00 0.00 C ATOM 268 CD1 LEU A 20 0.653 -2.592 -0.319 1.00 0.00 C ATOM 269 CD2 LEU A 20 1.821 -3.286 1.780 1.00 0.00 C ATOM 0 H LEU A 20 1.741 -1.172 4.158 1.00 0.00 H new ATOM 0 HA LEU A 20 2.098 0.940 2.232 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.421 -0.264 0.281 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.823 -1.077 0.948 1.00 0.00 H new ATOM 0 HG LEU A 20 0.077 -2.064 1.664 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.111 -3.537 -0.310 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.029 -1.820 -0.769 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.568 -2.704 -0.901 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.263 -4.222 1.761 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.764 -3.415 1.249 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.022 -3.004 2.814 1.00 0.00 H new ATOM 281 N GLU A 21 -0.591 0.683 1.780 1.00 0.00 N ATOM 282 CA GLU A 21 -2.015 0.928 1.982 1.00 0.00 C ATOM 283 C GLU A 21 -2.839 0.303 0.860 1.00 0.00 C ATOM 284 O GLU A 21 -2.465 0.369 -0.310 1.00 0.00 O ATOM 285 CB GLU A 21 -2.291 2.431 2.057 1.00 0.00 C ATOM 286 CG GLU A 21 -1.518 3.138 3.157 1.00 0.00 C ATOM 287 CD GLU A 21 -1.602 4.648 3.051 1.00 0.00 C ATOM 288 OE1 GLU A 21 -1.313 5.184 1.961 1.00 0.00 O ATOM 289 OE2 GLU A 21 -1.958 5.294 4.059 1.00 0.00 O ATOM 0 H GLU A 21 -0.246 0.937 0.854 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.307 0.465 2.925 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.041 2.886 1.099 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.358 2.588 2.216 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.904 2.824 4.127 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.473 2.832 3.115 1.00 0.00 H new ATOM 296 N GLY A 22 -3.963 -0.305 1.227 1.00 0.00 N ATOM 297 CA GLY A 22 -4.822 -0.934 0.241 1.00 0.00 C ATOM 298 C GLY A 22 -6.275 -0.963 0.673 1.00 0.00 C ATOM 299 O GLY A 22 -6.618 -0.493 1.758 1.00 0.00 O ATOM 0 H GLY A 22 -4.294 -0.373 2.189 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.738 -0.398 -0.705 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.479 -1.953 0.062 1.00 0.00 H new ATOM 303 N VAL A 23 -7.133 -1.517 -0.179 1.00 0.00 N ATOM 304 CA VAL A 23 -8.557 -1.606 0.120 1.00 0.00 C ATOM 305 C VAL A 23 -8.918 -2.980 0.672 1.00 0.00 C ATOM 306 O VAL A 23 -8.416 -4.001 0.201 1.00 0.00 O ATOM 307 CB VAL A 23 -9.411 -1.326 -1.131 1.00 0.00 C ATOM 308 CG1 VAL A 23 -10.832 -1.832 -0.931 1.00 0.00 C ATOM 309 CG2 VAL A 23 -9.407 0.160 -1.457 1.00 0.00 C ATOM 0 H VAL A 23 -6.866 -1.911 -1.081 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.771 -0.848 0.874 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.975 -1.861 -1.975 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -11.421 -1.626 -1.825 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.813 -2.907 -0.749 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -11.281 -1.327 -0.076 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -10.015 0.340 -2.344 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.818 0.718 -0.616 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.385 0.488 -1.646 1.00 0.00 H new ATOM 319 N ASP A 24 -9.793 -2.999 1.672 1.00 0.00 N ATOM 320 CA ASP A 24 -10.223 -4.249 2.287 1.00 0.00 C ATOM 321 C ASP A 24 -11.285 -4.937 1.435 1.00 0.00 C ATOM 322 O ASP A 24 -12.200 -4.304 0.908 1.00 0.00 O ATOM 323 CB ASP A 24 -10.770 -3.989 3.692 1.00 0.00 C ATOM 324 CG ASP A 24 -12.218 -3.540 3.676 1.00 0.00 C ATOM 325 OD1 ASP A 24 -12.466 -2.347 3.403 1.00 0.00 O ATOM 326 OD2 ASP A 24 -13.103 -4.381 3.937 1.00 0.00 O ATOM 0 H ASP A 24 -10.218 -2.163 2.074 1.00 0.00 H new ATOM 0 HA ASP A 24 -9.357 -4.907 2.358 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.681 -4.898 4.287 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.162 -3.227 4.180 1.00 0.00 H new ATOM 331 N PRO A 25 -11.160 -6.265 1.293 1.00 0.00 N ATOM 332 CA PRO A 25 -12.099 -7.069 0.504 1.00 0.00 C ATOM 333 C PRO A 25 -13.471 -7.169 1.162 1.00 0.00 C ATOM 334 O PRO A 25 -14.368 -7.837 0.649 1.00 0.00 O ATOM 335 CB PRO A 25 -11.431 -8.444 0.450 1.00 0.00 C ATOM 336 CG PRO A 25 -10.567 -8.494 1.663 1.00 0.00 C ATOM 337 CD PRO A 25 -10.094 -7.085 1.892 1.00 0.00 C ATOM 0 HA PRO A 25 -12.285 -6.632 -0.477 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -12.171 -9.244 0.458 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -10.843 -8.563 -0.460 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -11.124 -8.864 2.524 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.724 -9.169 1.515 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.970 -6.870 2.953 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.131 -6.902 1.416 1.00 0.00 H new ATOM 345 N GLU A 26 -13.627 -6.500 2.300 1.00 0.00 N ATOM 346 CA GLU A 26 -14.891 -6.515 3.028 1.00 0.00 C ATOM 347 C GLU A 26 -15.603 -5.170 2.910 1.00 0.00 C ATOM 348 O GLU A 26 -16.745 -5.020 3.343 1.00 0.00 O ATOM 349 CB GLU A 26 -14.652 -6.850 4.502 1.00 0.00 C ATOM 350 CG GLU A 26 -13.999 -8.205 4.720 1.00 0.00 C ATOM 351 CD GLU A 26 -15.012 -9.323 4.869 1.00 0.00 C ATOM 352 OE1 GLU A 26 -16.161 -9.035 5.264 1.00 0.00 O ATOM 353 OE2 GLU A 26 -14.654 -10.487 4.591 1.00 0.00 O ATOM 0 H GLU A 26 -12.895 -5.941 2.738 1.00 0.00 H new ATOM 0 HA GLU A 26 -15.526 -7.283 2.586 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -14.023 -6.077 4.944 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -15.605 -6.826 5.031 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -13.340 -8.426 3.880 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -13.375 -8.164 5.613 1.00 0.00 H new ATOM 360 N HIS A 27 -14.918 -4.195 2.320 1.00 0.00 N ATOM 361 CA HIS A 27 -15.484 -2.862 2.144 1.00 0.00 C ATOM 362 C HIS A 27 -14.684 -2.062 1.121 1.00 0.00 C ATOM 363 O HIS A 27 -13.562 -1.635 1.394 1.00 0.00 O ATOM 364 CB HIS A 27 -15.515 -2.118 3.480 1.00 0.00 C ATOM 365 CG HIS A 27 -16.624 -2.557 4.385 1.00 0.00 C ATOM 366 ND1 HIS A 27 -17.902 -2.044 4.314 1.00 0.00 N ATOM 367 CD2 HIS A 27 -16.642 -3.469 5.385 1.00 0.00 C ATOM 368 CE1 HIS A 27 -18.657 -2.620 5.232 1.00 0.00 C ATOM 369 NE2 HIS A 27 -17.916 -3.489 5.896 1.00 0.00 N ATOM 0 H HIS A 27 -13.971 -4.303 1.956 1.00 0.00 H new ATOM 0 HA HIS A 27 -16.503 -2.973 1.774 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -14.562 -2.263 3.989 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -15.615 -1.049 3.289 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -15.809 -4.069 5.719 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -19.702 -2.415 5.410 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -18.238 -4.079 6.663 1.00 0.00 H new ATOM 378 N GLN A 28 -15.267 -1.865 -0.057 1.00 0.00 N ATOM 379 CA GLN A 28 -14.607 -1.118 -1.120 1.00 0.00 C ATOM 380 C GLN A 28 -14.442 0.349 -0.734 1.00 0.00 C ATOM 381 O GLN A 28 -15.220 0.884 0.055 1.00 0.00 O ATOM 382 CB GLN A 28 -15.404 -1.228 -2.421 1.00 0.00 C ATOM 383 CG GLN A 28 -15.295 -2.591 -3.087 1.00 0.00 C ATOM 384 CD GLN A 28 -14.140 -2.672 -4.065 1.00 0.00 C ATOM 385 OE1 GLN A 28 -13.199 -3.441 -3.869 1.00 0.00 O ATOM 386 NE2 GLN A 28 -14.205 -1.876 -5.126 1.00 0.00 N ATOM 0 H GLN A 28 -16.195 -2.212 -0.299 1.00 0.00 H new ATOM 0 HA GLN A 28 -13.617 -1.549 -1.271 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -16.453 -1.017 -2.214 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -15.056 -0.464 -3.116 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -15.172 -3.357 -2.321 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -16.225 -2.811 -3.611 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -15.004 -1.254 -5.249 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -13.456 -1.887 -5.818 1.00 0.00 H new ATOM 395 N SER A 29 -13.424 0.993 -1.296 1.00 0.00 N ATOM 396 CA SER A 29 -13.154 2.396 -1.008 1.00 0.00 C ATOM 397 C SER A 29 -12.752 2.583 0.452 1.00 0.00 C ATOM 398 O SER A 29 -13.158 3.547 1.102 1.00 0.00 O ATOM 399 CB SER A 29 -14.385 3.249 -1.322 1.00 0.00 C ATOM 400 OG SER A 29 -14.859 2.996 -2.634 1.00 0.00 O ATOM 0 H SER A 29 -12.773 0.565 -1.954 1.00 0.00 H new ATOM 0 HA SER A 29 -12.326 2.718 -1.640 1.00 0.00 H new ATOM 0 HB2 SER A 29 -15.173 3.036 -0.600 1.00 0.00 H new ATOM 0 HB3 SER A 29 -14.136 4.305 -1.219 1.00 0.00 H new ATOM 0 HG SER A 29 -15.647 3.552 -2.810 1.00 0.00 H new ATOM 406 N VAL A 30 -11.951 1.653 0.962 1.00 0.00 N ATOM 407 CA VAL A 30 -11.492 1.715 2.345 1.00 0.00 C ATOM 408 C VAL A 30 -9.983 1.514 2.432 1.00 0.00 C ATOM 409 O VAL A 30 -9.501 0.385 2.529 1.00 0.00 O ATOM 410 CB VAL A 30 -12.191 0.655 3.216 1.00 0.00 C ATOM 411 CG1 VAL A 30 -11.508 0.541 4.570 1.00 0.00 C ATOM 412 CG2 VAL A 30 -13.666 0.989 3.380 1.00 0.00 C ATOM 0 H VAL A 30 -11.607 0.848 0.439 1.00 0.00 H new ATOM 0 HA VAL A 30 -11.746 2.707 2.719 1.00 0.00 H new ATOM 0 HB VAL A 30 -12.114 -0.310 2.715 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -12.016 -0.213 5.171 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -10.467 0.251 4.429 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -11.551 1.503 5.081 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -14.144 0.229 3.998 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -13.767 1.963 3.858 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -14.144 1.014 2.401 1.00 0.00 H new ATOM 422 N TYR A 31 -9.242 2.616 2.398 1.00 0.00 N ATOM 423 CA TYR A 31 -7.787 2.561 2.471 1.00 0.00 C ATOM 424 C TYR A 31 -7.320 2.377 3.912 1.00 0.00 C ATOM 425 O TYR A 31 -7.403 3.298 4.726 1.00 0.00 O ATOM 426 CB TYR A 31 -7.177 3.835 1.885 1.00 0.00 C ATOM 427 CG TYR A 31 -7.596 4.106 0.457 1.00 0.00 C ATOM 428 CD1 TYR A 31 -7.554 3.102 -0.502 1.00 0.00 C ATOM 429 CD2 TYR A 31 -8.035 5.365 0.068 1.00 0.00 C ATOM 430 CE1 TYR A 31 -7.935 3.345 -1.807 1.00 0.00 C ATOM 431 CE2 TYR A 31 -8.419 5.617 -1.234 1.00 0.00 C ATOM 432 CZ TYR A 31 -8.367 4.604 -2.169 1.00 0.00 C ATOM 433 OH TYR A 31 -8.749 4.850 -3.468 1.00 0.00 O ATOM 0 H TYR A 31 -9.625 3.558 2.320 1.00 0.00 H new ATOM 0 HA TYR A 31 -7.452 1.704 1.887 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -7.463 4.684 2.506 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -6.090 3.761 1.928 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -7.218 2.115 -0.222 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -8.077 6.161 0.797 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -7.895 2.553 -2.540 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -8.758 6.602 -1.519 1.00 0.00 H new ATOM 0 HH TYR A 31 -7.974 5.156 -3.984 1.00 0.00 H new ATOM 443 N CYS A 32 -6.830 1.181 4.220 1.00 0.00 N ATOM 444 CA CYS A 32 -6.350 0.874 5.563 1.00 0.00 C ATOM 445 C CYS A 32 -4.863 0.534 5.544 1.00 0.00 C ATOM 446 O CYS A 32 -4.357 -0.030 4.574 1.00 0.00 O ATOM 447 CB CYS A 32 -7.144 -0.289 6.157 1.00 0.00 C ATOM 448 SG CYS A 32 -8.882 0.092 6.480 1.00 0.00 S ATOM 0 H CYS A 32 -6.755 0.408 3.558 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.494 1.758 6.185 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -7.090 -1.138 5.475 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -6.672 -0.599 7.089 1.00 0.00 H new ATOM 0 HG CYS A 32 -9.633 -0.835 5.963 1.00 0.00 H new ATOM 454 N VAL A 33 -4.168 0.882 6.622 1.00 0.00 N ATOM 455 CA VAL A 33 -2.739 0.614 6.730 1.00 0.00 C ATOM 456 C VAL A 33 -2.465 -0.884 6.804 1.00 0.00 C ATOM 457 O VAL A 33 -2.801 -1.540 7.790 1.00 0.00 O ATOM 458 CB VAL A 33 -2.131 1.298 7.969 1.00 0.00 C ATOM 459 CG1 VAL A 33 -3.053 1.145 9.169 1.00 0.00 C ATOM 460 CG2 VAL A 33 -0.753 0.729 8.269 1.00 0.00 C ATOM 0 H VAL A 33 -4.572 1.350 7.433 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.272 1.022 5.834 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.021 2.362 7.758 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.607 1.634 10.035 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.016 1.605 8.949 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.197 0.086 9.385 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.338 1.224 9.147 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.835 -0.341 8.460 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.097 0.896 7.415 1.00 0.00 H new ATOM 470 N LEU A 34 -1.851 -1.420 5.755 1.00 0.00 N ATOM 471 CA LEU A 34 -1.530 -2.842 5.700 1.00 0.00 C ATOM 472 C LEU A 34 -0.021 -3.058 5.659 1.00 0.00 C ATOM 473 O LEU A 34 0.742 -2.137 5.367 1.00 0.00 O ATOM 474 CB LEU A 34 -2.182 -3.485 4.475 1.00 0.00 C ATOM 475 CG LEU A 34 -3.693 -3.294 4.341 1.00 0.00 C ATOM 476 CD1 LEU A 34 -4.107 -3.325 2.878 1.00 0.00 C ATOM 477 CD2 LEU A 34 -4.438 -4.361 5.130 1.00 0.00 C ATOM 0 H LEU A 34 -1.565 -0.891 4.931 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.922 -3.313 6.602 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.705 -3.083 3.581 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.972 -4.554 4.496 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.954 -2.318 4.751 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.186 -3.188 2.802 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.600 -2.524 2.339 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.832 -4.286 2.442 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.512 -4.209 5.023 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.171 -5.347 4.750 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.165 -4.292 6.183 1.00 0.00 H new ATOM 489 N THR A 35 0.405 -4.283 5.953 1.00 0.00 N ATOM 490 CA THR A 35 1.822 -4.622 5.949 1.00 0.00 C ATOM 491 C THR A 35 2.063 -5.973 5.285 1.00 0.00 C ATOM 492 O THR A 35 1.316 -6.926 5.506 1.00 0.00 O ATOM 493 CB THR A 35 2.396 -4.654 7.378 1.00 0.00 C ATOM 494 OG1 THR A 35 2.228 -3.377 8.002 1.00 0.00 O ATOM 495 CG2 THR A 35 3.871 -5.026 7.360 1.00 0.00 C ATOM 0 H THR A 35 -0.213 -5.057 6.197 1.00 0.00 H new ATOM 0 HA THR A 35 2.331 -3.845 5.379 1.00 0.00 H new ATOM 0 HB THR A 35 1.854 -5.409 7.947 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.594 -3.406 8.911 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.255 -5.042 8.380 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.992 -6.012 6.911 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.425 -4.291 6.776 1.00 0.00 H new ATOM 503 N VAL A 36 3.112 -6.049 4.472 1.00 0.00 N ATOM 504 CA VAL A 36 3.452 -7.285 3.778 1.00 0.00 C ATOM 505 C VAL A 36 3.987 -8.332 4.749 1.00 0.00 C ATOM 506 O VAL A 36 4.977 -8.101 5.443 1.00 0.00 O ATOM 507 CB VAL A 36 4.500 -7.040 2.676 1.00 0.00 C ATOM 508 CG1 VAL A 36 4.791 -8.327 1.919 1.00 0.00 C ATOM 509 CG2 VAL A 36 4.030 -5.948 1.728 1.00 0.00 C ATOM 0 H VAL A 36 3.741 -5.269 4.278 1.00 0.00 H new ATOM 0 HA VAL A 36 2.534 -7.654 3.321 1.00 0.00 H new ATOM 0 HB VAL A 36 5.425 -6.707 3.146 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.533 -8.134 1.145 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.175 -9.077 2.611 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.874 -8.694 1.458 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.782 -5.788 0.956 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.091 -6.249 1.263 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.879 -5.023 2.285 1.00 0.00 H new ATOM 519 N ALA A 37 3.326 -9.484 4.792 1.00 0.00 N ATOM 520 CA ALA A 37 3.737 -10.568 5.676 1.00 0.00 C ATOM 521 C ALA A 37 4.292 -11.744 4.881 1.00 0.00 C ATOM 522 O ALA A 37 5.081 -12.535 5.396 1.00 0.00 O ATOM 523 CB ALA A 37 2.567 -11.016 6.540 1.00 0.00 C ATOM 0 H ALA A 37 2.504 -9.691 4.225 1.00 0.00 H new ATOM 0 HA ALA A 37 4.531 -10.195 6.324 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.888 -11.826 7.195 1.00 0.00 H new ATOM 0 HB2 ALA A 37 2.218 -10.178 7.143 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.756 -11.366 5.901 1.00 0.00 H new ATOM 529 N GLU A 38 3.873 -11.854 3.624 1.00 0.00 N ATOM 530 CA GLU A 38 4.328 -12.936 2.760 1.00 0.00 C ATOM 531 C GLU A 38 4.184 -12.555 1.289 1.00 0.00 C ATOM 532 O GLU A 38 3.414 -11.660 0.941 1.00 0.00 O ATOM 533 CB GLU A 38 3.537 -14.214 3.046 1.00 0.00 C ATOM 534 CG GLU A 38 4.326 -15.488 2.792 1.00 0.00 C ATOM 535 CD GLU A 38 5.133 -15.925 4.000 1.00 0.00 C ATOM 536 OE1 GLU A 38 6.242 -15.386 4.196 1.00 0.00 O ATOM 537 OE2 GLU A 38 4.655 -16.804 4.747 1.00 0.00 O ATOM 0 H GLU A 38 3.220 -11.207 3.182 1.00 0.00 H new ATOM 0 HA GLU A 38 5.382 -13.115 2.970 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.207 -14.202 4.085 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.640 -14.222 2.427 1.00 0.00 H new ATOM 0 HG2 GLU A 38 3.639 -16.286 2.510 1.00 0.00 H new ATOM 0 HG3 GLU A 38 4.998 -15.333 1.948 1.00 0.00 H new ATOM 544 N VAL A 39 4.932 -13.241 0.430 1.00 0.00 N ATOM 545 CA VAL A 39 4.889 -12.975 -1.003 1.00 0.00 C ATOM 546 C VAL A 39 5.122 -14.250 -1.805 1.00 0.00 C ATOM 547 O VAL A 39 6.169 -14.888 -1.687 1.00 0.00 O ATOM 548 CB VAL A 39 5.940 -11.925 -1.411 1.00 0.00 C ATOM 549 CG1 VAL A 39 5.890 -11.675 -2.911 1.00 0.00 C ATOM 550 CG2 VAL A 39 5.728 -10.632 -0.639 1.00 0.00 C ATOM 0 H VAL A 39 5.575 -13.985 0.702 1.00 0.00 H new ATOM 0 HA VAL A 39 3.895 -12.587 -1.224 1.00 0.00 H new ATOM 0 HB VAL A 39 6.929 -12.310 -1.164 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.639 -10.931 -3.181 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.095 -12.605 -3.442 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.900 -11.310 -3.186 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.479 -9.901 -0.940 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.734 -10.239 -0.853 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.819 -10.827 0.430 1.00 0.00 H new ATOM 560 N CYS A 40 4.140 -14.616 -2.622 1.00 0.00 N ATOM 561 CA CYS A 40 4.238 -15.816 -3.445 1.00 0.00 C ATOM 562 C CYS A 40 3.035 -15.936 -4.376 1.00 0.00 C ATOM 563 O CYS A 40 2.072 -15.180 -4.263 1.00 0.00 O ATOM 564 CB CYS A 40 4.340 -17.059 -2.561 1.00 0.00 C ATOM 565 SG CYS A 40 5.271 -18.419 -3.304 1.00 0.00 S ATOM 0 H CYS A 40 3.268 -14.099 -2.732 1.00 0.00 H new ATOM 0 HA CYS A 40 5.139 -15.737 -4.053 1.00 0.00 H new ATOM 0 HB2 CYS A 40 4.811 -16.783 -1.618 1.00 0.00 H new ATOM 0 HB3 CYS A 40 3.334 -17.407 -2.325 1.00 0.00 H new ATOM 0 HG CYS A 40 5.304 -19.424 -2.480 1.00 0.00 H new ATOM 571 N GLY A 41 3.099 -16.893 -5.297 1.00 0.00 N ATOM 572 CA GLY A 41 2.010 -17.094 -6.235 1.00 0.00 C ATOM 573 C GLY A 41 1.504 -15.791 -6.823 1.00 0.00 C ATOM 574 O GLY A 41 0.342 -15.429 -6.638 1.00 0.00 O ATOM 0 H GLY A 41 3.886 -17.533 -5.410 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.344 -17.747 -7.041 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.190 -17.604 -5.731 1.00 0.00 H new ATOM 578 N TYR A 42 2.378 -15.086 -7.533 1.00 0.00 N ATOM 579 CA TYR A 42 2.014 -13.814 -8.147 1.00 0.00 C ATOM 580 C TYR A 42 1.021 -13.053 -7.275 1.00 0.00 C ATOM 581 O TYR A 42 0.148 -12.346 -7.780 1.00 0.00 O ATOM 582 CB TYR A 42 1.418 -14.047 -9.536 1.00 0.00 C ATOM 583 CG TYR A 42 1.650 -12.900 -10.494 1.00 0.00 C ATOM 584 CD1 TYR A 42 2.783 -12.859 -11.297 1.00 0.00 C ATOM 585 CD2 TYR A 42 0.737 -11.858 -10.596 1.00 0.00 C ATOM 586 CE1 TYR A 42 3.000 -11.814 -12.174 1.00 0.00 C ATOM 587 CE2 TYR A 42 0.945 -10.809 -11.470 1.00 0.00 C ATOM 588 CZ TYR A 42 2.077 -10.791 -12.257 1.00 0.00 C ATOM 589 OH TYR A 42 2.289 -9.748 -13.129 1.00 0.00 O ATOM 0 H TYR A 42 3.343 -15.373 -7.698 1.00 0.00 H new ATOM 0 HA TYR A 42 2.918 -13.213 -8.244 1.00 0.00 H new ATOM 0 HB2 TYR A 42 1.847 -14.955 -9.959 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.346 -14.217 -9.438 1.00 0.00 H new ATOM 0 HD1 TYR A 42 3.507 -13.658 -11.234 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -0.151 -11.868 -9.981 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.886 -11.798 -12.791 1.00 0.00 H new ATOM 0 HE2 TYR A 42 0.225 -10.007 -11.537 1.00 0.00 H new ATOM 0 HH TYR A 42 2.131 -8.898 -12.667 1.00 0.00 H new ATOM 599 N ARG A 43 1.160 -13.202 -5.962 1.00 0.00 N ATOM 600 CA ARG A 43 0.275 -12.529 -5.018 1.00 0.00 C ATOM 601 C ARG A 43 1.021 -12.168 -3.737 1.00 0.00 C ATOM 602 O ARG A 43 1.925 -12.886 -3.310 1.00 0.00 O ATOM 603 CB ARG A 43 -0.925 -13.419 -4.689 1.00 0.00 C ATOM 604 CG ARG A 43 -2.015 -13.387 -5.748 1.00 0.00 C ATOM 605 CD ARG A 43 -3.120 -14.385 -5.440 1.00 0.00 C ATOM 606 NE ARG A 43 -3.840 -14.793 -6.643 1.00 0.00 N ATOM 607 CZ ARG A 43 -4.610 -15.874 -6.708 1.00 0.00 C ATOM 608 NH1 ARG A 43 -4.758 -16.651 -5.644 1.00 0.00 N ATOM 609 NH2 ARG A 43 -5.233 -16.179 -7.839 1.00 0.00 N ATOM 0 H ARG A 43 1.877 -13.783 -5.527 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.080 -11.609 -5.483 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.582 -14.446 -4.564 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.348 -13.106 -3.735 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.436 -12.383 -5.808 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.583 -13.610 -6.723 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.691 -15.264 -4.959 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.820 -13.943 -4.731 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.747 -14.217 -7.479 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.280 -16.420 -4.773 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -5.350 -17.480 -5.696 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -5.121 -15.583 -8.660 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -5.824 -17.009 -7.888 1.00 0.00 H new ATOM 623 N ILE A 44 0.635 -11.051 -3.129 1.00 0.00 N ATOM 624 CA ILE A 44 1.266 -10.595 -1.897 1.00 0.00 C ATOM 625 C ILE A 44 0.285 -10.631 -0.730 1.00 0.00 C ATOM 626 O ILE A 44 -0.881 -10.261 -0.873 1.00 0.00 O ATOM 627 CB ILE A 44 1.820 -9.165 -2.043 1.00 0.00 C ATOM 628 CG1 ILE A 44 0.701 -8.200 -2.443 1.00 0.00 C ATOM 629 CG2 ILE A 44 2.944 -9.135 -3.068 1.00 0.00 C ATOM 630 CD1 ILE A 44 1.097 -6.744 -2.347 1.00 0.00 C ATOM 0 H ILE A 44 -0.112 -10.445 -3.470 1.00 0.00 H new ATOM 0 HA ILE A 44 2.092 -11.277 -1.695 1.00 0.00 H new ATOM 0 HB ILE A 44 2.223 -8.847 -1.081 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.393 -8.418 -3.466 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.165 -8.376 -1.805 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.325 -8.118 -3.160 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.748 -9.796 -2.745 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.565 -9.469 -4.034 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.256 -6.118 -2.645 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.377 -6.510 -1.320 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.943 -6.553 -3.007 1.00 0.00 H new ATOM 642 N LYS A 45 0.764 -11.078 0.425 1.00 0.00 N ATOM 643 CA LYS A 45 -0.069 -11.160 1.619 1.00 0.00 C ATOM 644 C LYS A 45 -0.350 -9.771 2.183 1.00 0.00 C ATOM 645 O LYS A 45 0.556 -8.945 2.307 1.00 0.00 O ATOM 646 CB LYS A 45 0.611 -12.026 2.682 1.00 0.00 C ATOM 647 CG LYS A 45 -0.364 -12.707 3.627 1.00 0.00 C ATOM 648 CD LYS A 45 0.327 -13.759 4.478 1.00 0.00 C ATOM 649 CE LYS A 45 -0.577 -14.252 5.598 1.00 0.00 C ATOM 650 NZ LYS A 45 -0.285 -15.665 5.965 1.00 0.00 N ATOM 0 H LYS A 45 1.726 -11.390 0.560 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.018 -11.618 1.339 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.215 -12.786 2.187 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.293 -11.405 3.263 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.827 -11.961 4.273 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.165 -13.171 3.052 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.622 -14.600 3.850 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.240 -13.342 4.903 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.450 -13.616 6.474 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.619 -14.165 5.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.922 -15.963 6.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.431 -16.276 5.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.702 -15.744 6.284 1.00 0.00 H new ATOM 664 N LEU A 46 -1.609 -9.520 2.525 1.00 0.00 N ATOM 665 CA LEU A 46 -2.009 -8.230 3.078 1.00 0.00 C ATOM 666 C LEU A 46 -2.479 -8.379 4.522 1.00 0.00 C ATOM 667 O LEU A 46 -3.589 -8.847 4.779 1.00 0.00 O ATOM 668 CB LEU A 46 -3.120 -7.612 2.229 1.00 0.00 C ATOM 669 CG LEU A 46 -2.670 -6.878 0.965 1.00 0.00 C ATOM 670 CD1 LEU A 46 -1.692 -5.767 1.313 1.00 0.00 C ATOM 671 CD2 LEU A 46 -2.045 -7.852 -0.023 1.00 0.00 C ATOM 0 H LEU A 46 -2.370 -10.192 2.429 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.141 -7.571 3.064 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.811 -8.404 1.939 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.679 -6.913 2.851 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.546 -6.429 0.497 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.383 -5.256 0.401 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.174 -5.055 1.983 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.817 -6.193 1.805 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.731 -7.312 -0.916 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.179 -8.330 0.436 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.777 -8.612 -0.297 1.00 0.00 H new ATOM 683 N HIS A 47 -1.628 -7.976 5.460 1.00 0.00 N ATOM 684 CA HIS A 47 -1.957 -8.062 6.878 1.00 0.00 C ATOM 685 C HIS A 47 -2.578 -6.759 7.372 1.00 0.00 C ATOM 686 O HIS A 47 -2.176 -5.672 6.958 1.00 0.00 O ATOM 687 CB HIS A 47 -0.706 -8.386 7.696 1.00 0.00 C ATOM 688 CG HIS A 47 -0.915 -8.286 9.175 1.00 0.00 C ATOM 689 ND1 HIS A 47 -1.668 -9.192 9.892 1.00 0.00 N ATOM 690 CD2 HIS A 47 -0.463 -7.380 10.074 1.00 0.00 C ATOM 691 CE1 HIS A 47 -1.671 -8.847 11.167 1.00 0.00 C ATOM 692 NE2 HIS A 47 -0.947 -7.751 11.305 1.00 0.00 N ATOM 0 H HIS A 47 -0.706 -7.587 5.264 1.00 0.00 H new ATOM 0 HA HIS A 47 -2.684 -8.863 7.008 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -0.374 -9.395 7.452 1.00 0.00 H new ATOM 0 HB3 HIS A 47 0.095 -7.707 7.404 1.00 0.00 H new ATOM 0 HD2 HIS A 47 0.162 -6.525 9.863 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -2.179 -9.372 11.962 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -0.775 -7.260 12.182 1.00 0.00 H new ATOM 701 N PHE A 48 -3.562 -6.876 8.258 1.00 0.00 N ATOM 702 CA PHE A 48 -4.240 -5.707 8.806 1.00 0.00 C ATOM 703 C PHE A 48 -3.589 -5.264 10.113 1.00 0.00 C ATOM 704 O PHE A 48 -3.416 -6.063 11.034 1.00 0.00 O ATOM 705 CB PHE A 48 -5.721 -6.013 9.038 1.00 0.00 C ATOM 706 CG PHE A 48 -6.562 -5.878 7.801 1.00 0.00 C ATOM 707 CD1 PHE A 48 -6.987 -4.632 7.369 1.00 0.00 C ATOM 708 CD2 PHE A 48 -6.927 -6.997 7.070 1.00 0.00 C ATOM 709 CE1 PHE A 48 -7.762 -4.506 6.232 1.00 0.00 C ATOM 710 CE2 PHE A 48 -7.701 -6.877 5.932 1.00 0.00 C ATOM 711 CZ PHE A 48 -8.118 -5.629 5.511 1.00 0.00 C ATOM 0 H PHE A 48 -3.907 -7.768 8.612 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.153 -4.895 8.084 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.818 -7.028 9.425 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -6.107 -5.341 9.805 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.710 -3.750 7.927 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.602 -7.975 7.394 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -8.089 -3.529 5.907 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -7.980 -7.758 5.372 1.00 0.00 H new ATOM 0 HZ PHE A 48 -8.721 -5.532 4.620 1.00 0.00 H new ATOM 721 N ASP A 49 -3.231 -3.987 10.186 1.00 0.00 N ATOM 722 CA ASP A 49 -2.600 -3.437 11.380 1.00 0.00 C ATOM 723 C ASP A 49 -3.514 -3.580 12.593 1.00 0.00 C ATOM 724 O ASP A 49 -4.652 -3.113 12.583 1.00 0.00 O ATOM 725 CB ASP A 49 -2.246 -1.965 11.163 1.00 0.00 C ATOM 726 CG ASP A 49 -1.281 -1.441 12.209 1.00 0.00 C ATOM 727 OD1 ASP A 49 -0.081 -1.776 12.130 1.00 0.00 O ATOM 728 OD2 ASP A 49 -1.727 -0.695 13.106 1.00 0.00 O ATOM 0 H ASP A 49 -3.367 -3.313 9.432 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.685 -3.999 11.569 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.806 -1.842 10.173 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.158 -1.368 11.183 1.00 0.00 H new ATOM 733 N GLY A 50 -3.007 -4.229 13.637 1.00 0.00 N ATOM 734 CA GLY A 50 -3.791 -4.422 14.842 1.00 0.00 C ATOM 735 C GLY A 50 -4.648 -5.672 14.782 1.00 0.00 C ATOM 736 O GLY A 50 -4.699 -6.444 15.740 1.00 0.00 O ATOM 0 H GLY A 50 -2.067 -4.624 13.669 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.123 -4.484 15.701 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.431 -3.554 14.999 1.00 0.00 H new ATOM 740 N TYR A 51 -5.322 -5.871 13.655 1.00 0.00 N ATOM 741 CA TYR A 51 -6.184 -7.033 13.476 1.00 0.00 C ATOM 742 C TYR A 51 -5.404 -8.328 13.685 1.00 0.00 C ATOM 743 O TYR A 51 -4.188 -8.308 13.876 1.00 0.00 O ATOM 744 CB TYR A 51 -6.808 -7.021 12.080 1.00 0.00 C ATOM 745 CG TYR A 51 -7.986 -6.081 11.951 1.00 0.00 C ATOM 746 CD1 TYR A 51 -7.847 -4.723 12.208 1.00 0.00 C ATOM 747 CD2 TYR A 51 -9.237 -6.552 11.572 1.00 0.00 C ATOM 748 CE1 TYR A 51 -8.920 -3.861 12.092 1.00 0.00 C ATOM 749 CE2 TYR A 51 -10.316 -5.697 11.452 1.00 0.00 C ATOM 750 CZ TYR A 51 -10.152 -4.353 11.714 1.00 0.00 C ATOM 751 OH TYR A 51 -11.224 -3.497 11.596 1.00 0.00 O ATOM 0 H TYR A 51 -5.288 -5.243 12.852 1.00 0.00 H new ATOM 0 HA TYR A 51 -6.977 -6.983 14.222 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -6.047 -6.738 11.353 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -7.130 -8.031 11.827 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.884 -4.335 12.504 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -9.368 -7.604 11.368 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -8.795 -2.808 12.296 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -11.282 -6.079 11.155 1.00 0.00 H new ATOM 0 HH TYR A 51 -12.017 -4.002 11.320 1.00 0.00 H new ATOM 761 N SER A 52 -6.112 -9.451 13.645 1.00 0.00 N ATOM 762 CA SER A 52 -5.488 -10.756 13.833 1.00 0.00 C ATOM 763 C SER A 52 -5.065 -11.354 12.495 1.00 0.00 C ATOM 764 O SER A 52 -5.761 -11.206 11.489 1.00 0.00 O ATOM 765 CB SER A 52 -6.450 -11.707 14.549 1.00 0.00 C ATOM 766 OG SER A 52 -6.332 -11.588 15.956 1.00 0.00 O ATOM 0 H SER A 52 -7.119 -9.484 13.484 1.00 0.00 H new ATOM 0 HA SER A 52 -4.598 -10.620 14.448 1.00 0.00 H new ATOM 0 HB2 SER A 52 -7.474 -11.488 14.247 1.00 0.00 H new ATOM 0 HB3 SER A 52 -6.242 -12.734 14.249 1.00 0.00 H new ATOM 0 HG SER A 52 -6.958 -12.204 16.390 1.00 0.00 H new ATOM 772 N ASP A 53 -3.921 -12.028 12.491 1.00 0.00 N ATOM 773 CA ASP A 53 -3.405 -12.650 11.277 1.00 0.00 C ATOM 774 C ASP A 53 -4.504 -13.418 10.549 1.00 0.00 C ATOM 775 O ASP A 53 -4.653 -13.304 9.332 1.00 0.00 O ATOM 776 CB ASP A 53 -2.246 -13.590 11.613 1.00 0.00 C ATOM 777 CG ASP A 53 -2.722 -14.932 12.133 1.00 0.00 C ATOM 778 OD1 ASP A 53 -3.056 -15.020 13.333 1.00 0.00 O ATOM 779 OD2 ASP A 53 -2.760 -15.896 11.339 1.00 0.00 O ATOM 0 H ASP A 53 -3.333 -12.158 13.314 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.043 -11.859 10.620 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.637 -13.744 10.722 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.606 -13.120 12.360 1.00 0.00 H new ATOM 784 N CYS A 54 -5.270 -14.199 11.302 1.00 0.00 N ATOM 785 CA CYS A 54 -6.355 -14.987 10.729 1.00 0.00 C ATOM 786 C CYS A 54 -7.117 -14.183 9.680 1.00 0.00 C ATOM 787 O CYS A 54 -7.644 -14.741 8.718 1.00 0.00 O ATOM 788 CB CYS A 54 -7.313 -15.451 11.828 1.00 0.00 C ATOM 789 SG CYS A 54 -8.372 -16.836 11.349 1.00 0.00 S ATOM 0 H CYS A 54 -5.160 -14.304 12.311 1.00 0.00 H new ATOM 0 HA CYS A 54 -5.919 -15.861 10.245 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -6.732 -15.738 12.704 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -7.943 -14.612 12.124 1.00 0.00 H new ATOM 0 HG CYS A 54 -9.144 -17.157 12.345 1.00 0.00 H new ATOM 795 N TYR A 55 -7.171 -12.870 9.874 1.00 0.00 N ATOM 796 CA TYR A 55 -7.872 -11.989 8.947 1.00 0.00 C ATOM 797 C TYR A 55 -6.937 -11.507 7.842 1.00 0.00 C ATOM 798 O TYR A 55 -7.054 -10.379 7.363 1.00 0.00 O ATOM 799 CB TYR A 55 -8.458 -10.790 9.695 1.00 0.00 C ATOM 800 CG TYR A 55 -9.401 -11.175 10.812 1.00 0.00 C ATOM 801 CD1 TYR A 55 -8.924 -11.445 12.088 1.00 0.00 C ATOM 802 CD2 TYR A 55 -10.770 -11.269 10.590 1.00 0.00 C ATOM 803 CE1 TYR A 55 -9.782 -11.798 13.112 1.00 0.00 C ATOM 804 CE2 TYR A 55 -11.635 -11.620 11.608 1.00 0.00 C ATOM 805 CZ TYR A 55 -11.137 -11.884 12.867 1.00 0.00 C ATOM 806 OH TYR A 55 -11.996 -12.235 13.883 1.00 0.00 O ATOM 0 H TYR A 55 -6.738 -12.392 10.664 1.00 0.00 H new ATOM 0 HA TYR A 55 -8.684 -12.555 8.490 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -7.643 -10.196 10.108 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -8.988 -10.154 8.986 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -7.864 -11.378 12.283 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -11.164 -11.064 9.605 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -9.394 -12.005 14.098 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -12.696 -11.687 11.419 1.00 0.00 H new ATOM 0 HH TYR A 55 -12.915 -12.248 13.544 1.00 0.00 H new ATOM 816 N ASP A 56 -6.009 -12.370 7.443 1.00 0.00 N ATOM 817 CA ASP A 56 -5.054 -12.034 6.393 1.00 0.00 C ATOM 818 C ASP A 56 -5.606 -12.399 5.019 1.00 0.00 C ATOM 819 O ASP A 56 -6.118 -13.500 4.816 1.00 0.00 O ATOM 820 CB ASP A 56 -3.727 -12.756 6.632 1.00 0.00 C ATOM 821 CG ASP A 56 -3.872 -14.265 6.582 1.00 0.00 C ATOM 822 OD1 ASP A 56 -3.958 -14.816 5.465 1.00 0.00 O ATOM 823 OD2 ASP A 56 -3.899 -14.893 7.660 1.00 0.00 O ATOM 0 H ASP A 56 -5.898 -13.307 7.830 1.00 0.00 H new ATOM 0 HA ASP A 56 -4.884 -10.958 6.421 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.003 -12.438 5.881 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.328 -12.464 7.603 1.00 0.00 H new ATOM 828 N PHE A 57 -5.501 -11.467 4.078 1.00 0.00 N ATOM 829 CA PHE A 57 -5.992 -11.689 2.723 1.00 0.00 C ATOM 830 C PHE A 57 -4.903 -11.397 1.695 1.00 0.00 C ATOM 831 O PHE A 57 -3.987 -10.614 1.950 1.00 0.00 O ATOM 832 CB PHE A 57 -7.215 -10.812 2.450 1.00 0.00 C ATOM 833 CG PHE A 57 -6.888 -9.352 2.315 1.00 0.00 C ATOM 834 CD1 PHE A 57 -6.425 -8.629 3.402 1.00 0.00 C ATOM 835 CD2 PHE A 57 -7.042 -8.704 1.100 1.00 0.00 C ATOM 836 CE1 PHE A 57 -6.124 -7.285 3.280 1.00 0.00 C ATOM 837 CE2 PHE A 57 -6.742 -7.361 0.972 1.00 0.00 C ATOM 838 CZ PHE A 57 -6.281 -6.651 2.063 1.00 0.00 C ATOM 0 H PHE A 57 -5.080 -10.550 4.229 1.00 0.00 H new ATOM 0 HA PHE A 57 -6.279 -12.737 2.635 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.700 -11.153 1.536 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -7.933 -10.942 3.260 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -6.298 -9.120 4.355 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -7.401 -9.255 0.243 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -5.766 -6.731 4.136 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -6.868 -6.867 0.020 1.00 0.00 H new ATOM 0 HZ PHE A 57 -6.044 -5.602 1.965 1.00 0.00 H new ATOM 848 N TRP A 58 -5.009 -12.031 0.533 1.00 0.00 N ATOM 849 CA TRP A 58 -4.033 -11.840 -0.534 1.00 0.00 C ATOM 850 C TRP A 58 -4.646 -11.075 -1.702 1.00 0.00 C ATOM 851 O TRP A 58 -5.760 -11.371 -2.134 1.00 0.00 O ATOM 852 CB TRP A 58 -3.502 -13.191 -1.016 1.00 0.00 C ATOM 853 CG TRP A 58 -2.747 -13.942 0.039 1.00 0.00 C ATOM 854 CD1 TRP A 58 -3.180 -14.245 1.298 1.00 0.00 C ATOM 855 CD2 TRP A 58 -1.426 -14.484 -0.074 1.00 0.00 C ATOM 856 NE1 TRP A 58 -2.209 -14.943 1.974 1.00 0.00 N ATOM 857 CE2 TRP A 58 -1.123 -15.103 1.154 1.00 0.00 C ATOM 858 CE3 TRP A 58 -0.472 -14.508 -1.094 1.00 0.00 C ATOM 859 CZ2 TRP A 58 0.095 -15.736 1.388 1.00 0.00 C ATOM 860 CZ3 TRP A 58 0.737 -15.137 -0.861 1.00 0.00 C ATOM 861 CH2 TRP A 58 1.011 -15.744 0.371 1.00 0.00 C ATOM 0 H TRP A 58 -5.761 -12.682 0.305 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.205 -11.254 -0.134 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -4.338 -13.801 -1.358 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -2.851 -13.032 -1.875 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -4.144 -13.975 1.703 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -2.284 -15.287 2.931 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -0.675 -14.044 -2.048 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 0.309 -16.204 2.338 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.482 -15.161 -1.642 1.00 0.00 H new ATOM 0 HH2 TRP A 58 1.965 -16.228 0.522 1.00 0.00 H new ATOM 872 N VAL A 59 -3.912 -10.089 -2.209 1.00 0.00 N ATOM 873 CA VAL A 59 -4.384 -9.282 -3.328 1.00 0.00 C ATOM 874 C VAL A 59 -3.476 -9.443 -4.542 1.00 0.00 C ATOM 875 O VAL A 59 -2.471 -10.150 -4.489 1.00 0.00 O ATOM 876 CB VAL A 59 -4.460 -7.791 -2.952 1.00 0.00 C ATOM 877 CG1 VAL A 59 -5.344 -7.593 -1.730 1.00 0.00 C ATOM 878 CG2 VAL A 59 -3.067 -7.231 -2.709 1.00 0.00 C ATOM 0 H VAL A 59 -2.988 -9.830 -1.862 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.384 -9.638 -3.576 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.905 -7.246 -3.785 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.386 -6.533 -1.479 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.349 -7.955 -1.946 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.931 -8.149 -0.888 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.140 -6.176 -2.444 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -2.592 -7.778 -1.894 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.469 -7.337 -3.614 1.00 0.00 H new ATOM 888 N ASN A 60 -3.839 -8.782 -5.637 1.00 0.00 N ATOM 889 CA ASN A 60 -3.057 -8.851 -6.866 1.00 0.00 C ATOM 890 C ASN A 60 -1.780 -8.025 -6.746 1.00 0.00 C ATOM 891 O ASN A 60 -1.826 -6.833 -6.441 1.00 0.00 O ATOM 892 CB ASN A 60 -3.887 -8.358 -8.052 1.00 0.00 C ATOM 893 CG ASN A 60 -5.198 -9.107 -8.192 1.00 0.00 C ATOM 894 OD1 ASN A 60 -5.217 -10.285 -8.551 1.00 0.00 O ATOM 895 ND2 ASN A 60 -6.302 -8.426 -7.909 1.00 0.00 N ATOM 0 H ASN A 60 -4.669 -8.193 -5.698 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.781 -9.892 -7.033 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.091 -7.294 -7.932 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.308 -8.470 -8.969 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.213 -8.878 -7.985 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.239 -7.451 -7.615 1.00 0.00 H new ATOM 902 N ALA A 61 -0.641 -8.666 -6.988 1.00 0.00 N ATOM 903 CA ALA A 61 0.648 -7.990 -6.910 1.00 0.00 C ATOM 904 C ALA A 61 0.604 -6.641 -7.619 1.00 0.00 C ATOM 905 O ALA A 61 1.257 -5.686 -7.198 1.00 0.00 O ATOM 906 CB ALA A 61 1.740 -8.867 -7.504 1.00 0.00 C ATOM 0 H ALA A 61 -0.585 -9.653 -7.240 1.00 0.00 H new ATOM 0 HA ALA A 61 0.874 -7.810 -5.859 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.697 -8.350 -7.439 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.796 -9.804 -6.950 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.511 -9.076 -8.549 1.00 0.00 H new ATOM 912 N ASP A 62 -0.167 -6.571 -8.698 1.00 0.00 N ATOM 913 CA ASP A 62 -0.296 -5.338 -9.467 1.00 0.00 C ATOM 914 C ASP A 62 -1.700 -4.757 -9.331 1.00 0.00 C ATOM 915 O ASP A 62 -2.272 -4.260 -10.301 1.00 0.00 O ATOM 916 CB ASP A 62 0.024 -5.595 -10.940 1.00 0.00 C ATOM 917 CG ASP A 62 1.486 -5.923 -11.167 1.00 0.00 C ATOM 918 OD1 ASP A 62 2.325 -5.007 -11.047 1.00 0.00 O ATOM 919 OD2 ASP A 62 1.792 -7.097 -11.465 1.00 0.00 O ATOM 0 H ASP A 62 -0.712 -7.353 -9.060 1.00 0.00 H new ATOM 0 HA ASP A 62 0.416 -4.615 -9.070 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.591 -6.418 -11.304 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.243 -4.715 -11.525 1.00 0.00 H new ATOM 924 N ALA A 63 -2.249 -4.825 -8.123 1.00 0.00 N ATOM 925 CA ALA A 63 -3.585 -4.306 -7.861 1.00 0.00 C ATOM 926 C ALA A 63 -3.574 -2.784 -7.770 1.00 0.00 C ATOM 927 O ALA A 63 -2.576 -2.182 -7.372 1.00 0.00 O ATOM 928 CB ALA A 63 -4.145 -4.909 -6.581 1.00 0.00 C ATOM 0 H ALA A 63 -1.789 -5.235 -7.310 1.00 0.00 H new ATOM 0 HA ALA A 63 -4.228 -4.590 -8.694 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.144 -4.512 -6.398 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.199 -5.993 -6.682 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.495 -4.655 -5.744 1.00 0.00 H new ATOM 934 N LEU A 64 -4.690 -2.165 -8.140 1.00 0.00 N ATOM 935 CA LEU A 64 -4.809 -0.712 -8.101 1.00 0.00 C ATOM 936 C LEU A 64 -5.184 -0.234 -6.701 1.00 0.00 C ATOM 937 O LEU A 64 -4.738 0.824 -6.256 1.00 0.00 O ATOM 938 CB LEU A 64 -5.855 -0.238 -9.111 1.00 0.00 C ATOM 939 CG LEU A 64 -5.680 -0.742 -10.544 1.00 0.00 C ATOM 940 CD1 LEU A 64 -6.866 -0.329 -11.403 1.00 0.00 C ATOM 941 CD2 LEU A 64 -4.381 -0.219 -11.139 1.00 0.00 C ATOM 0 H LEU A 64 -5.526 -2.647 -8.471 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.841 -0.286 -8.364 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.839 -0.545 -8.756 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.848 0.852 -9.127 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.634 -1.831 -10.523 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.724 -0.696 -12.419 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.781 -0.753 -10.988 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.944 0.758 -11.417 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.273 -0.588 -12.159 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.397 0.871 -11.147 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.540 -0.565 -10.538 1.00 0.00 H new ATOM 953 N ASP A 65 -6.003 -1.021 -6.013 1.00 0.00 N ATOM 954 CA ASP A 65 -6.435 -0.681 -4.663 1.00 0.00 C ATOM 955 C ASP A 65 -5.238 -0.351 -3.776 1.00 0.00 C ATOM 956 O ASP A 65 -5.247 0.644 -3.050 1.00 0.00 O ATOM 957 CB ASP A 65 -7.234 -1.834 -4.054 1.00 0.00 C ATOM 958 CG ASP A 65 -6.709 -3.191 -4.480 1.00 0.00 C ATOM 959 OD1 ASP A 65 -5.797 -3.712 -3.805 1.00 0.00 O ATOM 960 OD2 ASP A 65 -7.209 -3.730 -5.489 1.00 0.00 O ATOM 0 H ASP A 65 -6.381 -1.899 -6.368 1.00 0.00 H new ATOM 0 HA ASP A 65 -7.073 0.200 -4.724 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.202 -1.760 -2.967 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -8.279 -1.743 -4.349 1.00 0.00 H new ATOM 965 N ILE A 66 -4.212 -1.192 -3.839 1.00 0.00 N ATOM 966 CA ILE A 66 -3.008 -0.989 -3.042 1.00 0.00 C ATOM 967 C ILE A 66 -2.250 0.254 -3.498 1.00 0.00 C ATOM 968 O ILE A 66 -2.409 0.710 -4.630 1.00 0.00 O ATOM 969 CB ILE A 66 -2.069 -2.207 -3.121 1.00 0.00 C ATOM 970 CG1 ILE A 66 -1.725 -2.520 -4.579 1.00 0.00 C ATOM 971 CG2 ILE A 66 -2.710 -3.414 -2.452 1.00 0.00 C ATOM 972 CD1 ILE A 66 -0.631 -3.553 -4.733 1.00 0.00 C ATOM 0 H ILE A 66 -4.190 -2.021 -4.433 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.331 -0.856 -2.010 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.146 -1.970 -2.592 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.622 -2.874 -5.088 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.418 -1.600 -5.077 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.034 -4.267 -2.516 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.909 -3.186 -1.405 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.646 -3.654 -2.955 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.440 -3.725 -5.792 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.279 -3.193 -4.254 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.943 -4.486 -4.264 1.00 0.00 H new ATOM 984 N HIS A 67 -1.425 0.796 -2.608 1.00 0.00 N ATOM 985 CA HIS A 67 -0.640 1.985 -2.919 1.00 0.00 C ATOM 986 C HIS A 67 0.479 2.179 -1.900 1.00 0.00 C ATOM 987 O HIS A 67 0.401 1.718 -0.761 1.00 0.00 O ATOM 988 CB HIS A 67 -1.538 3.222 -2.949 1.00 0.00 C ATOM 989 CG HIS A 67 -2.284 3.390 -4.237 1.00 0.00 C ATOM 990 ND1 HIS A 67 -1.669 3.734 -5.423 1.00 0.00 N ATOM 991 CD2 HIS A 67 -3.600 3.257 -4.521 1.00 0.00 C ATOM 992 CE1 HIS A 67 -2.576 3.807 -6.380 1.00 0.00 C ATOM 993 NE2 HIS A 67 -3.756 3.522 -5.860 1.00 0.00 N ATOM 0 H HIS A 67 -1.283 0.431 -1.666 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.192 1.847 -3.903 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -2.254 3.161 -2.129 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -0.928 4.108 -2.774 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -4.382 2.992 -3.825 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -2.385 4.057 -7.413 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -4.639 3.502 -6.370 1.00 0.00 H new ATOM 1002 N PRO A 68 1.546 2.876 -2.317 1.00 0.00 N ATOM 1003 CA PRO A 68 2.701 3.147 -1.457 1.00 0.00 C ATOM 1004 C PRO A 68 2.374 4.130 -0.338 1.00 0.00 C ATOM 1005 O PRO A 68 1.649 5.103 -0.546 1.00 0.00 O ATOM 1006 CB PRO A 68 3.726 3.753 -2.418 1.00 0.00 C ATOM 1007 CG PRO A 68 2.912 4.343 -3.517 1.00 0.00 C ATOM 1008 CD PRO A 68 1.707 3.455 -3.662 1.00 0.00 C ATOM 0 HA PRO A 68 3.051 2.247 -0.951 1.00 0.00 H new ATOM 0 HB2 PRO A 68 4.332 4.512 -1.923 1.00 0.00 H new ATOM 0 HB3 PRO A 68 4.411 2.994 -2.796 1.00 0.00 H new ATOM 0 HG2 PRO A 68 2.617 5.365 -3.279 1.00 0.00 H new ATOM 0 HG3 PRO A 68 3.481 4.383 -4.446 1.00 0.00 H new ATOM 0 HD2 PRO A 68 0.825 4.020 -3.964 1.00 0.00 H new ATOM 0 HD3 PRO A 68 1.865 2.683 -4.415 1.00 0.00 H new ATOM 1016 N VAL A 69 2.912 3.870 0.849 1.00 0.00 N ATOM 1017 CA VAL A 69 2.678 4.733 2.000 1.00 0.00 C ATOM 1018 C VAL A 69 2.575 6.195 1.580 1.00 0.00 C ATOM 1019 O VAL A 69 3.208 6.620 0.614 1.00 0.00 O ATOM 1020 CB VAL A 69 3.798 4.589 3.047 1.00 0.00 C ATOM 1021 CG1 VAL A 69 3.521 5.474 4.252 1.00 0.00 C ATOM 1022 CG2 VAL A 69 3.951 3.135 3.467 1.00 0.00 C ATOM 0 H VAL A 69 3.513 3.068 1.039 1.00 0.00 H new ATOM 0 HA VAL A 69 1.733 4.418 2.444 1.00 0.00 H new ATOM 0 HB VAL A 69 4.736 4.914 2.596 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.323 5.358 4.981 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.467 6.515 3.934 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.574 5.184 4.706 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.747 3.052 4.207 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.015 2.781 3.899 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.201 2.529 2.596 1.00 0.00 H new ATOM 1032 N GLY A 70 1.772 6.961 2.312 1.00 0.00 N ATOM 1033 CA GLY A 70 1.601 8.368 1.999 1.00 0.00 C ATOM 1034 C GLY A 70 0.908 8.586 0.669 1.00 0.00 C ATOM 1035 O GLY A 70 1.187 9.559 -0.031 1.00 0.00 O ATOM 0 H GLY A 70 1.237 6.633 3.116 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.022 8.845 2.790 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.576 8.854 1.981 1.00 0.00 H new ATOM 1039 N TRP A 71 0.005 7.678 0.318 1.00 0.00 N ATOM 1040 CA TRP A 71 -0.729 7.775 -0.939 1.00 0.00 C ATOM 1041 C TRP A 71 -1.979 8.631 -0.774 1.00 0.00 C ATOM 1042 O TRP A 71 -2.252 9.511 -1.591 1.00 0.00 O ATOM 1043 CB TRP A 71 -1.112 6.381 -1.438 1.00 0.00 C ATOM 1044 CG TRP A 71 -1.747 6.391 -2.796 1.00 0.00 C ATOM 1045 CD1 TRP A 71 -1.105 6.419 -4.001 1.00 0.00 C ATOM 1046 CD2 TRP A 71 -3.149 6.373 -3.086 1.00 0.00 C ATOM 1047 NE1 TRP A 71 -2.024 6.421 -5.023 1.00 0.00 N ATOM 1048 CE2 TRP A 71 -3.285 6.392 -4.488 1.00 0.00 C ATOM 1049 CE3 TRP A 71 -4.303 6.341 -2.298 1.00 0.00 C ATOM 1050 CZ2 TRP A 71 -4.528 6.381 -5.115 1.00 0.00 C ATOM 1051 CZ3 TRP A 71 -5.536 6.331 -2.922 1.00 0.00 C ATOM 1052 CH2 TRP A 71 -5.640 6.350 -4.320 1.00 0.00 C ATOM 0 H TRP A 71 -0.237 6.866 0.886 1.00 0.00 H new ATOM 0 HA TRP A 71 -0.080 8.251 -1.675 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -0.220 5.755 -1.466 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -1.800 5.924 -0.726 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -0.033 6.437 -4.132 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -1.803 6.441 -6.019 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -4.232 6.324 -1.220 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -4.611 6.396 -6.192 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -6.434 6.308 -2.323 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -6.618 6.340 -4.778 1.00 0.00 H new ATOM 1063 N CYS A 72 -2.736 8.368 0.285 1.00 0.00 N ATOM 1064 CA CYS A 72 -3.959 9.115 0.556 1.00 0.00 C ATOM 1065 C CYS A 72 -3.705 10.617 0.488 1.00 0.00 C ATOM 1066 O CYS A 72 -4.516 11.370 -0.050 1.00 0.00 O ATOM 1067 CB CYS A 72 -4.516 8.742 1.930 1.00 0.00 C ATOM 1068 SG CYS A 72 -3.270 8.673 3.238 1.00 0.00 S ATOM 0 H CYS A 72 -2.524 7.643 0.970 1.00 0.00 H new ATOM 0 HA CYS A 72 -4.691 8.853 -0.208 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -5.280 9.467 2.209 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -5.007 7.772 1.860 1.00 0.00 H new ATOM 0 HG CYS A 72 -3.817 8.986 4.375 1.00 0.00 H new ATOM 1074 N GLU A 73 -2.574 11.046 1.039 1.00 0.00 N ATOM 1075 CA GLU A 73 -2.214 12.460 1.043 1.00 0.00 C ATOM 1076 C GLU A 73 -1.734 12.903 -0.336 1.00 0.00 C ATOM 1077 O GLU A 73 -2.037 14.008 -0.787 1.00 0.00 O ATOM 1078 CB GLU A 73 -1.127 12.730 2.085 1.00 0.00 C ATOM 1079 CG GLU A 73 -1.675 13.084 3.458 1.00 0.00 C ATOM 1080 CD GLU A 73 -0.579 13.336 4.475 1.00 0.00 C ATOM 1081 OE1 GLU A 73 0.152 14.337 4.325 1.00 0.00 O ATOM 1082 OE2 GLU A 73 -0.454 12.532 5.423 1.00 0.00 O ATOM 0 H GLU A 73 -1.891 10.436 1.488 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.104 13.034 1.301 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.492 11.848 2.173 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.494 13.545 1.735 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.302 13.972 3.377 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -2.314 12.274 3.810 1.00 0.00 H new ATOM 1089 N LYS A 74 -0.982 12.033 -1.001 1.00 0.00 N ATOM 1090 CA LYS A 74 -0.458 12.331 -2.329 1.00 0.00 C ATOM 1091 C LYS A 74 -1.593 12.585 -3.317 1.00 0.00 C ATOM 1092 O LYS A 74 -1.522 13.500 -4.138 1.00 0.00 O ATOM 1093 CB LYS A 74 0.417 11.178 -2.826 1.00 0.00 C ATOM 1094 CG LYS A 74 0.971 11.394 -4.224 1.00 0.00 C ATOM 1095 CD LYS A 74 1.691 10.157 -4.735 1.00 0.00 C ATOM 1096 CE LYS A 74 0.734 9.206 -5.437 1.00 0.00 C ATOM 1097 NZ LYS A 74 1.437 8.008 -5.974 1.00 0.00 N ATOM 0 H LYS A 74 -0.721 11.115 -0.642 1.00 0.00 H new ATOM 0 HA LYS A 74 0.148 13.234 -2.259 1.00 0.00 H new ATOM 0 HB2 LYS A 74 1.247 11.038 -2.133 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.167 10.258 -2.814 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.158 11.650 -4.903 1.00 0.00 H new ATOM 0 HG3 LYS A 74 1.659 12.240 -4.217 1.00 0.00 H new ATOM 0 HD2 LYS A 74 2.482 10.454 -5.424 1.00 0.00 H new ATOM 0 HD3 LYS A 74 2.170 9.643 -3.902 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -0.041 8.890 -4.739 1.00 0.00 H new ATOM 0 HE3 LYS A 74 0.234 9.730 -6.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.750 7.385 -6.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.160 8.308 -6.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 1.893 7.494 -5.193 1.00 0.00 H new ATOM 1111 N THR A 75 -2.639 11.770 -3.231 1.00 0.00 N ATOM 1112 CA THR A 75 -3.789 11.906 -4.117 1.00 0.00 C ATOM 1113 C THR A 75 -4.841 12.830 -3.514 1.00 0.00 C ATOM 1114 O THR A 75 -5.110 13.908 -4.041 1.00 0.00 O ATOM 1115 CB THR A 75 -4.433 10.539 -4.416 1.00 0.00 C ATOM 1116 OG1 THR A 75 -4.818 9.901 -3.193 1.00 0.00 O ATOM 1117 CG2 THR A 75 -3.470 9.643 -5.180 1.00 0.00 C ATOM 0 H THR A 75 -2.714 11.008 -2.557 1.00 0.00 H new ATOM 0 HA THR A 75 -3.421 12.337 -5.048 1.00 0.00 H new ATOM 0 HB THR A 75 -5.316 10.705 -5.032 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.016 9.622 -2.703 1.00 0.00 H new ATOM 0 HG21 THR A 75 -3.947 8.683 -5.380 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.202 10.118 -6.123 1.00 0.00 H new ATOM 0 HG23 THR A 75 -2.571 9.484 -4.585 1.00 0.00 H new ATOM 1125 N GLY A 76 -5.433 12.400 -2.403 1.00 0.00 N ATOM 1126 CA GLY A 76 -6.449 13.201 -1.747 1.00 0.00 C ATOM 1127 C GLY A 76 -7.601 12.364 -1.226 1.00 0.00 C ATOM 1128 O GLY A 76 -8.746 12.544 -1.641 1.00 0.00 O ATOM 0 H GLY A 76 -5.227 11.512 -1.946 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.998 13.748 -0.919 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.831 13.943 -2.448 1.00 0.00 H new ATOM 1132 N HIS A 77 -7.298 11.444 -0.315 1.00 0.00 N ATOM 1133 CA HIS A 77 -8.317 10.575 0.262 1.00 0.00 C ATOM 1134 C HIS A 77 -8.149 10.471 1.775 1.00 0.00 C ATOM 1135 O HIS A 77 -7.116 10.856 2.324 1.00 0.00 O ATOM 1136 CB HIS A 77 -8.247 9.184 -0.368 1.00 0.00 C ATOM 1137 CG HIS A 77 -8.799 9.127 -1.759 1.00 0.00 C ATOM 1138 ND1 HIS A 77 -10.142 8.974 -2.030 1.00 0.00 N ATOM 1139 CD2 HIS A 77 -8.181 9.207 -2.960 1.00 0.00 C ATOM 1140 CE1 HIS A 77 -10.326 8.960 -3.338 1.00 0.00 C ATOM 1141 NE2 HIS A 77 -9.152 9.100 -3.926 1.00 0.00 N ATOM 0 H HIS A 77 -6.355 11.281 0.039 1.00 0.00 H new ATOM 0 HA HIS A 77 -9.293 11.012 0.052 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -7.208 8.854 -0.384 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -8.795 8.482 0.260 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -7.121 9.332 -3.128 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -11.276 8.852 -3.841 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -8.992 9.125 -4.933 1.00 0.00 H new ATOM 1150 N LYS A 78 -9.171 9.948 2.444 1.00 0.00 N ATOM 1151 CA LYS A 78 -9.137 9.792 3.894 1.00 0.00 C ATOM 1152 C LYS A 78 -8.678 8.390 4.279 1.00 0.00 C ATOM 1153 O LYS A 78 -9.368 7.405 4.015 1.00 0.00 O ATOM 1154 CB LYS A 78 -10.519 10.070 4.489 1.00 0.00 C ATOM 1155 CG LYS A 78 -10.799 11.545 4.716 1.00 0.00 C ATOM 1156 CD LYS A 78 -10.151 12.045 5.996 1.00 0.00 C ATOM 1157 CE LYS A 78 -10.910 11.572 7.227 1.00 0.00 C ATOM 1158 NZ LYS A 78 -11.974 12.535 7.626 1.00 0.00 N ATOM 0 H LYS A 78 -10.033 9.625 2.005 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.424 10.512 4.296 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -11.280 9.663 3.824 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -10.609 9.542 5.438 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.426 12.121 3.869 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -11.876 11.709 4.764 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.121 11.693 6.045 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.115 13.134 5.986 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.358 10.599 7.026 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -10.213 11.438 8.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -12.468 12.177 8.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -11.544 13.457 7.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -12.654 12.644 6.846 1.00 0.00 H new ATOM 1172 N LEU A 79 -7.510 8.307 4.907 1.00 0.00 N ATOM 1173 CA LEU A 79 -6.959 7.024 5.331 1.00 0.00 C ATOM 1174 C LEU A 79 -7.637 6.536 6.607 1.00 0.00 C ATOM 1175 O LEU A 79 -7.750 7.276 7.585 1.00 0.00 O ATOM 1176 CB LEU A 79 -5.451 7.144 5.555 1.00 0.00 C ATOM 1177 CG LEU A 79 -4.807 6.039 6.393 1.00 0.00 C ATOM 1178 CD1 LEU A 79 -4.823 4.718 5.640 1.00 0.00 C ATOM 1179 CD2 LEU A 79 -3.384 6.420 6.775 1.00 0.00 C ATOM 0 H LEU A 79 -6.926 9.112 5.134 1.00 0.00 H new ATOM 0 HA LEU A 79 -7.146 6.297 4.541 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.960 7.167 4.582 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.250 8.101 6.036 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.388 5.919 7.307 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.360 3.944 6.253 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -5.853 4.438 5.418 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.267 4.824 4.708 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.941 5.622 7.371 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.792 6.569 5.872 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.398 7.342 7.356 1.00 0.00 H new ATOM 1191 N HIS A 80 -8.085 5.284 6.592 1.00 0.00 N ATOM 1192 CA HIS A 80 -8.749 4.695 7.749 1.00 0.00 C ATOM 1193 C HIS A 80 -7.738 4.016 8.668 1.00 0.00 C ATOM 1194 O HIS A 80 -7.097 3.030 8.305 1.00 0.00 O ATOM 1195 CB HIS A 80 -9.805 3.686 7.299 1.00 0.00 C ATOM 1196 CG HIS A 80 -10.861 4.277 6.417 1.00 0.00 C ATOM 1197 ND1 HIS A 80 -12.129 4.585 6.864 1.00 0.00 N ATOM 1198 CD2 HIS A 80 -10.832 4.618 5.107 1.00 0.00 C ATOM 1199 CE1 HIS A 80 -12.834 5.089 5.867 1.00 0.00 C ATOM 1200 NE2 HIS A 80 -12.070 5.120 4.790 1.00 0.00 N ATOM 0 H HIS A 80 -8.000 4.658 5.791 1.00 0.00 H new ATOM 0 HA HIS A 80 -9.237 5.496 8.304 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -9.314 2.871 6.767 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -10.279 3.252 8.179 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -9.992 4.514 4.436 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -13.861 5.420 5.923 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -12.354 5.462 3.872 1.00 0.00 H new ATOM 1209 N PRO A 81 -7.590 4.556 9.888 1.00 0.00 N ATOM 1210 CA PRO A 81 -6.659 4.018 10.884 1.00 0.00 C ATOM 1211 C PRO A 81 -7.109 2.667 11.428 1.00 0.00 C ATOM 1212 O PRO A 81 -8.271 2.279 11.309 1.00 0.00 O ATOM 1213 CB PRO A 81 -6.676 5.074 11.992 1.00 0.00 C ATOM 1214 CG PRO A 81 -8.000 5.744 11.857 1.00 0.00 C ATOM 1215 CD PRO A 81 -8.322 5.732 10.388 1.00 0.00 C ATOM 0 HA PRO A 81 -5.670 3.839 10.463 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -6.562 4.618 12.975 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -5.859 5.785 11.874 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.764 5.217 12.428 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -7.962 6.764 12.240 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -9.394 5.643 10.212 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -7.994 6.648 9.897 1.00 0.00 H new ATOM 1223 N PRO A 82 -6.169 1.932 12.041 1.00 0.00 N ATOM 1224 CA PRO A 82 -6.447 0.613 12.618 1.00 0.00 C ATOM 1225 C PRO A 82 -7.329 0.697 13.858 1.00 0.00 C ATOM 1226 O PRO A 82 -7.951 1.726 14.123 1.00 0.00 O ATOM 1227 CB PRO A 82 -5.057 0.087 12.985 1.00 0.00 C ATOM 1228 CG PRO A 82 -4.229 1.310 13.184 1.00 0.00 C ATOM 1229 CD PRO A 82 -4.763 2.333 12.219 1.00 0.00 C ATOM 0 HA PRO A 82 -6.992 -0.029 11.925 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.090 -0.520 13.890 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.650 -0.542 12.193 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.301 1.667 14.211 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.176 1.104 12.991 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.681 3.344 12.619 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -4.218 2.318 11.275 1.00 0.00 H new ATOM 1237 N LYS A 83 -7.381 -0.393 14.617 1.00 0.00 N ATOM 1238 CA LYS A 83 -8.186 -0.443 15.831 1.00 0.00 C ATOM 1239 C LYS A 83 -7.619 0.487 16.899 1.00 0.00 C ATOM 1240 O LYS A 83 -6.430 0.440 17.209 1.00 0.00 O ATOM 1241 CB LYS A 83 -8.248 -1.875 16.368 1.00 0.00 C ATOM 1242 CG LYS A 83 -7.010 -2.288 17.145 1.00 0.00 C ATOM 1243 CD LYS A 83 -7.150 -1.975 18.625 1.00 0.00 C ATOM 1244 CE LYS A 83 -5.950 -2.471 19.416 1.00 0.00 C ATOM 1245 NZ LYS A 83 -6.118 -3.885 19.851 1.00 0.00 N ATOM 0 H LYS A 83 -6.874 -1.254 14.412 1.00 0.00 H new ATOM 0 HA LYS A 83 -9.194 -0.110 15.582 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.121 -1.975 17.013 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.388 -2.561 15.533 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.836 -3.356 17.013 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -6.138 -1.771 16.744 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -7.257 -0.899 18.762 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -8.058 -2.438 19.011 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -5.051 -2.383 18.805 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -5.804 -1.837 20.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -5.279 -4.185 20.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -6.961 -3.965 20.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -6.231 -4.494 19.016 1.00 0.00 H new ATOM 1259 N GLY A 84 -8.480 1.332 17.459 1.00 0.00 N ATOM 1260 CA GLY A 84 -8.046 2.259 18.488 1.00 0.00 C ATOM 1261 C GLY A 84 -7.004 3.238 17.983 1.00 0.00 C ATOM 1262 O GLY A 84 -6.020 3.516 18.669 1.00 0.00 O ATOM 0 H GLY A 84 -9.469 1.391 17.218 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -8.908 2.811 18.862 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.637 1.699 19.329 1.00 0.00 H new ATOM 1266 N TYR A 85 -7.218 3.760 16.780 1.00 0.00 N ATOM 1267 CA TYR A 85 -6.287 4.709 16.183 1.00 0.00 C ATOM 1268 C TYR A 85 -7.033 5.777 15.389 1.00 0.00 C ATOM 1269 O TYR A 85 -8.118 5.532 14.860 1.00 0.00 O ATOM 1270 CB TYR A 85 -5.296 3.981 15.273 1.00 0.00 C ATOM 1271 CG TYR A 85 -4.043 3.524 15.985 1.00 0.00 C ATOM 1272 CD1 TYR A 85 -2.977 4.393 16.181 1.00 0.00 C ATOM 1273 CD2 TYR A 85 -3.925 2.224 16.460 1.00 0.00 C ATOM 1274 CE1 TYR A 85 -1.829 3.980 16.831 1.00 0.00 C ATOM 1275 CE2 TYR A 85 -2.782 1.803 17.111 1.00 0.00 C ATOM 1276 CZ TYR A 85 -1.737 2.684 17.294 1.00 0.00 C ATOM 1277 OH TYR A 85 -0.596 2.268 17.942 1.00 0.00 O ATOM 0 H TYR A 85 -8.028 3.542 16.200 1.00 0.00 H new ATOM 0 HA TYR A 85 -5.739 5.197 16.989 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -5.789 3.115 14.832 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -5.017 4.641 14.452 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -3.046 5.408 15.819 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -4.741 1.531 16.318 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -1.009 4.668 16.975 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -2.707 0.789 17.475 1.00 0.00 H new ATOM 0 HH TYR A 85 -0.693 1.329 18.205 1.00 0.00 H new ATOM 1287 N LYS A 86 -6.444 6.966 15.309 1.00 0.00 N ATOM 1288 CA LYS A 86 -7.049 8.073 14.579 1.00 0.00 C ATOM 1289 C LYS A 86 -6.107 8.591 13.496 1.00 0.00 C ATOM 1290 O LYS A 86 -4.916 8.285 13.501 1.00 0.00 O ATOM 1291 CB LYS A 86 -7.411 9.208 15.540 1.00 0.00 C ATOM 1292 CG LYS A 86 -8.811 9.093 16.118 1.00 0.00 C ATOM 1293 CD LYS A 86 -8.900 9.729 17.495 1.00 0.00 C ATOM 1294 CE LYS A 86 -8.237 8.862 18.553 1.00 0.00 C ATOM 1295 NZ LYS A 86 -8.769 9.144 19.915 1.00 0.00 N ATOM 0 H LYS A 86 -5.547 7.187 15.742 1.00 0.00 H new ATOM 0 HA LYS A 86 -7.957 7.706 14.101 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -6.690 9.225 16.357 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.321 10.159 15.016 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -9.523 9.574 15.447 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -9.094 8.042 16.183 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.424 10.709 17.476 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.946 9.888 17.757 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.395 7.811 18.312 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -7.161 9.034 18.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -8.292 8.533 20.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.596 10.141 20.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.792 8.956 19.934 1.00 0.00 H new ATOM 1309 N GLU A 87 -6.651 9.376 12.572 1.00 0.00 N ATOM 1310 CA GLU A 87 -5.857 9.936 11.484 1.00 0.00 C ATOM 1311 C GLU A 87 -4.918 11.023 11.999 1.00 0.00 C ATOM 1312 O GLU A 87 -3.749 11.078 11.620 1.00 0.00 O ATOM 1313 CB GLU A 87 -6.771 10.508 10.398 1.00 0.00 C ATOM 1314 CG GLU A 87 -7.601 11.692 10.864 1.00 0.00 C ATOM 1315 CD GLU A 87 -6.875 13.014 10.702 1.00 0.00 C ATOM 1316 OE1 GLU A 87 -6.125 13.162 9.715 1.00 0.00 O ATOM 1317 OE2 GLU A 87 -7.056 13.899 11.564 1.00 0.00 O ATOM 0 H GLU A 87 -7.636 9.639 12.555 1.00 0.00 H new ATOM 0 HA GLU A 87 -5.256 9.133 11.057 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -6.163 10.814 9.547 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -7.439 9.722 10.046 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.533 11.722 10.300 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.867 11.554 11.912 1.00 0.00 H new ATOM 1324 N GLU A 88 -5.441 11.886 12.864 1.00 0.00 N ATOM 1325 CA GLU A 88 -4.650 12.973 13.430 1.00 0.00 C ATOM 1326 C GLU A 88 -3.529 12.429 14.311 1.00 0.00 C ATOM 1327 O GLU A 88 -2.403 12.925 14.278 1.00 0.00 O ATOM 1328 CB GLU A 88 -5.542 13.913 14.243 1.00 0.00 C ATOM 1329 CG GLU A 88 -6.382 13.201 15.290 1.00 0.00 C ATOM 1330 CD GLU A 88 -7.143 14.164 16.181 1.00 0.00 C ATOM 1331 OE1 GLU A 88 -6.491 14.949 16.900 1.00 0.00 O ATOM 1332 OE2 GLU A 88 -8.391 14.132 16.158 1.00 0.00 O ATOM 0 H GLU A 88 -6.408 11.854 13.188 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.203 13.530 12.606 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -4.917 14.658 14.736 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.203 14.451 13.564 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -7.088 12.536 14.793 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.735 12.576 15.906 1.00 0.00 H new ATOM 1339 N GLU A 89 -3.847 11.406 15.098 1.00 0.00 N ATOM 1340 CA GLU A 89 -2.867 10.795 15.989 1.00 0.00 C ATOM 1341 C GLU A 89 -1.892 9.920 15.208 1.00 0.00 C ATOM 1342 O GLU A 89 -0.675 10.059 15.336 1.00 0.00 O ATOM 1343 CB GLU A 89 -3.571 9.961 17.062 1.00 0.00 C ATOM 1344 CG GLU A 89 -4.326 10.794 18.084 1.00 0.00 C ATOM 1345 CD GLU A 89 -3.426 11.325 19.183 1.00 0.00 C ATOM 1346 OE1 GLU A 89 -2.464 12.054 18.861 1.00 0.00 O ATOM 1347 OE2 GLU A 89 -3.683 11.012 20.364 1.00 0.00 O ATOM 0 H GLU A 89 -4.774 10.983 15.137 1.00 0.00 H new ATOM 0 HA GLU A 89 -2.304 11.594 16.471 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.268 9.276 16.579 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.831 9.351 17.579 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -4.810 11.631 17.580 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -5.117 10.189 18.528 1.00 0.00 H new ATOM 1354 N PHE A 90 -2.434 9.018 14.397 1.00 0.00 N ATOM 1355 CA PHE A 90 -1.613 8.118 13.595 1.00 0.00 C ATOM 1356 C PHE A 90 -0.799 8.897 12.566 1.00 0.00 C ATOM 1357 O PHE A 90 -1.351 9.486 11.639 1.00 0.00 O ATOM 1358 CB PHE A 90 -2.492 7.084 12.889 1.00 0.00 C ATOM 1359 CG PHE A 90 -1.714 5.956 12.273 1.00 0.00 C ATOM 1360 CD1 PHE A 90 -1.094 6.115 11.044 1.00 0.00 C ATOM 1361 CD2 PHE A 90 -1.603 4.738 12.923 1.00 0.00 C ATOM 1362 CE1 PHE A 90 -0.378 5.079 10.475 1.00 0.00 C ATOM 1363 CE2 PHE A 90 -0.888 3.698 12.359 1.00 0.00 C ATOM 1364 CZ PHE A 90 -0.274 3.869 11.134 1.00 0.00 C ATOM 0 H PHE A 90 -3.439 8.891 14.278 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.924 7.603 14.264 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -3.204 6.675 13.605 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -3.072 7.582 12.112 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -1.171 7.059 10.525 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -2.081 4.599 13.882 1.00 0.00 H new ATOM 0 HE1 PHE A 90 0.100 5.215 9.516 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -0.810 2.753 12.876 1.00 0.00 H new ATOM 0 HZ PHE A 90 0.286 3.059 10.692 1.00 0.00 H new ATOM 1374 N ASN A 91 0.519 8.896 12.740 1.00 0.00 N ATOM 1375 CA ASN A 91 1.411 9.603 11.828 1.00 0.00 C ATOM 1376 C ASN A 91 2.429 8.648 11.212 1.00 0.00 C ATOM 1377 O ASN A 91 3.391 8.245 11.865 1.00 0.00 O ATOM 1378 CB ASN A 91 2.135 10.733 12.563 1.00 0.00 C ATOM 1379 CG ASN A 91 1.357 12.035 12.531 1.00 0.00 C ATOM 1380 OD1 ASN A 91 0.304 12.157 13.155 1.00 0.00 O ATOM 1381 ND2 ASN A 91 1.876 13.015 11.800 1.00 0.00 N ATOM 0 H ASN A 91 0.993 8.414 13.504 1.00 0.00 H new ATOM 0 HA ASN A 91 0.807 10.028 11.026 1.00 0.00 H new ATOM 0 HB2 ASN A 91 2.304 10.439 13.599 1.00 0.00 H new ATOM 0 HB3 ASN A 91 3.115 10.887 12.111 1.00 0.00 H new ATOM 0 HD21 ASN A 91 1.398 13.914 11.740 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.752 12.868 11.299 1.00 0.00 H new ATOM 1388 N TRP A 92 2.209 8.290 9.952 1.00 0.00 N ATOM 1389 CA TRP A 92 3.107 7.382 9.248 1.00 0.00 C ATOM 1390 C TRP A 92 4.551 7.593 9.690 1.00 0.00 C ATOM 1391 O TRP A 92 5.131 6.746 10.370 1.00 0.00 O ATOM 1392 CB TRP A 92 2.989 7.586 7.737 1.00 0.00 C ATOM 1393 CG TRP A 92 1.940 6.724 7.101 1.00 0.00 C ATOM 1394 CD1 TRP A 92 0.782 7.143 6.511 1.00 0.00 C ATOM 1395 CD2 TRP A 92 1.954 5.296 6.994 1.00 0.00 C ATOM 1396 NE1 TRP A 92 0.075 6.062 6.044 1.00 0.00 N ATOM 1397 CE2 TRP A 92 0.772 4.918 6.327 1.00 0.00 C ATOM 1398 CE3 TRP A 92 2.849 4.301 7.395 1.00 0.00 C ATOM 1399 CZ2 TRP A 92 0.466 3.587 6.055 1.00 0.00 C ATOM 1400 CZ3 TRP A 92 2.543 2.981 7.124 1.00 0.00 C ATOM 1401 CH2 TRP A 92 1.360 2.634 6.459 1.00 0.00 C ATOM 0 H TRP A 92 1.417 8.614 9.397 1.00 0.00 H new ATOM 0 HA TRP A 92 2.817 6.361 9.494 1.00 0.00 H new ATOM 0 HB2 TRP A 92 2.760 8.633 7.536 1.00 0.00 H new ATOM 0 HB3 TRP A 92 3.953 7.375 7.273 1.00 0.00 H new ATOM 0 HD1 TRP A 92 0.468 8.173 6.424 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -0.824 6.105 5.564 1.00 0.00 H new ATOM 0 HE3 TRP A 92 3.764 4.559 7.908 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -0.446 3.317 5.543 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 3.228 2.204 7.430 1.00 0.00 H new ATOM 0 HH2 TRP A 92 1.150 1.593 6.261 1.00 0.00 H new ATOM 1412 N GLN A 93 5.125 8.727 9.301 1.00 0.00 N ATOM 1413 CA GLN A 93 6.502 9.047 9.659 1.00 0.00 C ATOM 1414 C GLN A 93 6.810 8.608 11.086 1.00 0.00 C ATOM 1415 O GLN A 93 7.830 7.967 11.344 1.00 0.00 O ATOM 1416 CB GLN A 93 6.754 10.549 9.509 1.00 0.00 C ATOM 1417 CG GLN A 93 5.675 11.413 10.142 1.00 0.00 C ATOM 1418 CD GLN A 93 5.646 12.818 9.575 1.00 0.00 C ATOM 1419 OE1 GLN A 93 6.095 13.768 10.216 1.00 0.00 O ATOM 1420 NE2 GLN A 93 5.115 12.958 8.366 1.00 0.00 N ATOM 0 H GLN A 93 4.659 9.439 8.739 1.00 0.00 H new ATOM 0 HA GLN A 93 7.162 8.505 8.982 1.00 0.00 H new ATOM 0 HB2 GLN A 93 7.715 10.794 9.960 1.00 0.00 H new ATOM 0 HB3 GLN A 93 6.828 10.793 8.449 1.00 0.00 H new ATOM 0 HG2 GLN A 93 4.703 10.944 9.990 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.840 11.463 11.218 1.00 0.00 H new ATOM 0 HE21 GLN A 93 4.754 12.143 7.870 1.00 0.00 H new ATOM 0 HE22 GLN A 93 5.068 13.881 7.933 1.00 0.00 H new ATOM 1429 N THR A 94 5.923 8.957 12.012 1.00 0.00 N ATOM 1430 CA THR A 94 6.100 8.600 13.414 1.00 0.00 C ATOM 1431 C THR A 94 6.085 7.088 13.603 1.00 0.00 C ATOM 1432 O THR A 94 6.813 6.549 14.437 1.00 0.00 O ATOM 1433 CB THR A 94 5.005 9.227 14.297 1.00 0.00 C ATOM 1434 OG1 THR A 94 4.847 10.613 13.972 1.00 0.00 O ATOM 1435 CG2 THR A 94 5.349 9.083 15.771 1.00 0.00 C ATOM 0 H THR A 94 5.074 9.487 11.816 1.00 0.00 H new ATOM 0 HA THR A 94 7.070 8.992 13.719 1.00 0.00 H new ATOM 0 HB THR A 94 4.070 8.700 14.106 1.00 0.00 H new ATOM 0 HG1 THR A 94 4.268 11.041 14.637 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.561 9.533 16.374 1.00 0.00 H new ATOM 0 HG22 THR A 94 5.439 8.026 16.022 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.294 9.586 15.975 1.00 0.00 H new ATOM 1443 N TYR A 95 5.253 6.407 12.823 1.00 0.00 N ATOM 1444 CA TYR A 95 5.142 4.956 12.905 1.00 0.00 C ATOM 1445 C TYR A 95 6.298 4.279 12.176 1.00 0.00 C ATOM 1446 O TYR A 95 6.636 3.128 12.456 1.00 0.00 O ATOM 1447 CB TYR A 95 3.809 4.491 12.315 1.00 0.00 C ATOM 1448 CG TYR A 95 3.650 2.988 12.290 1.00 0.00 C ATOM 1449 CD1 TYR A 95 4.156 2.198 13.316 1.00 0.00 C ATOM 1450 CD2 TYR A 95 2.993 2.356 11.241 1.00 0.00 C ATOM 1451 CE1 TYR A 95 4.013 0.824 13.296 1.00 0.00 C ATOM 1452 CE2 TYR A 95 2.844 0.983 11.214 1.00 0.00 C ATOM 1453 CZ TYR A 95 3.356 0.222 12.243 1.00 0.00 C ATOM 1454 OH TYR A 95 3.211 -1.147 12.221 1.00 0.00 O ATOM 0 H TYR A 95 4.645 6.837 12.126 1.00 0.00 H new ATOM 0 HA TYR A 95 5.184 4.673 13.957 1.00 0.00 H new ATOM 0 HB2 TYR A 95 2.994 4.925 12.894 1.00 0.00 H new ATOM 0 HB3 TYR A 95 3.717 4.875 11.299 1.00 0.00 H new ATOM 0 HD1 TYR A 95 4.670 2.666 14.143 1.00 0.00 H new ATOM 0 HD2 TYR A 95 2.592 2.949 10.432 1.00 0.00 H new ATOM 0 HE1 TYR A 95 4.413 0.225 14.100 1.00 0.00 H new ATOM 0 HE2 TYR A 95 2.329 0.509 10.392 1.00 0.00 H new ATOM 0 HH TYR A 95 2.259 -1.374 12.179 1.00 0.00 H new ATOM 1464 N LEU A 96 6.902 5.001 11.239 1.00 0.00 N ATOM 1465 CA LEU A 96 8.022 4.472 10.468 1.00 0.00 C ATOM 1466 C LEU A 96 9.347 4.764 11.163 1.00 0.00 C ATOM 1467 O LEU A 96 10.363 4.130 10.879 1.00 0.00 O ATOM 1468 CB LEU A 96 8.027 5.074 9.061 1.00 0.00 C ATOM 1469 CG LEU A 96 6.715 4.973 8.283 1.00 0.00 C ATOM 1470 CD1 LEU A 96 6.573 6.143 7.323 1.00 0.00 C ATOM 1471 CD2 LEU A 96 6.640 3.652 7.532 1.00 0.00 C ATOM 0 H LEU A 96 6.635 5.955 10.994 1.00 0.00 H new ATOM 0 HA LEU A 96 7.902 3.391 10.394 1.00 0.00 H new ATOM 0 HB2 LEU A 96 8.300 6.126 9.139 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.809 4.584 8.481 1.00 0.00 H new ATOM 0 HG LEU A 96 5.890 5.011 8.994 1.00 0.00 H new ATOM 0 HD11 LEU A 96 5.633 6.054 6.778 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.580 7.077 7.884 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.404 6.138 6.617 1.00 0.00 H new ATOM 0 HD21 LEU A 96 5.699 3.598 6.984 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.472 3.584 6.832 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.695 2.826 8.242 1.00 0.00 H new ATOM 1483 N LYS A 97 9.330 5.728 12.079 1.00 0.00 N ATOM 1484 CA LYS A 97 10.529 6.102 12.819 1.00 0.00 C ATOM 1485 C LYS A 97 10.641 5.305 14.114 1.00 0.00 C ATOM 1486 O LYS A 97 11.739 4.960 14.551 1.00 0.00 O ATOM 1487 CB LYS A 97 10.514 7.601 13.129 1.00 0.00 C ATOM 1488 CG LYS A 97 9.749 7.952 14.393 1.00 0.00 C ATOM 1489 CD LYS A 97 10.653 7.935 15.615 1.00 0.00 C ATOM 1490 CE LYS A 97 9.930 8.450 16.850 1.00 0.00 C ATOM 1491 NZ LYS A 97 10.531 7.920 18.105 1.00 0.00 N ATOM 0 H LYS A 97 8.498 6.264 12.326 1.00 0.00 H new ATOM 0 HA LYS A 97 11.395 5.874 12.198 1.00 0.00 H new ATOM 0 HB2 LYS A 97 11.541 7.954 13.226 1.00 0.00 H new ATOM 0 HB3 LYS A 97 10.072 8.133 12.287 1.00 0.00 H new ATOM 0 HG2 LYS A 97 9.300 8.939 14.285 1.00 0.00 H new ATOM 0 HG3 LYS A 97 8.932 7.244 14.534 1.00 0.00 H new ATOM 0 HD2 LYS A 97 11.004 6.919 15.795 1.00 0.00 H new ATOM 0 HD3 LYS A 97 11.534 8.548 15.426 1.00 0.00 H new ATOM 0 HE2 LYS A 97 9.964 9.539 16.863 1.00 0.00 H new ATOM 0 HE3 LYS A 97 8.879 8.164 16.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 10.010 8.294 18.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 10.476 6.881 18.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 11.527 8.214 18.164 1.00 0.00 H new ATOM 1505 N THR A 98 9.496 5.014 14.725 1.00 0.00 N ATOM 1506 CA THR A 98 9.465 4.257 15.970 1.00 0.00 C ATOM 1507 C THR A 98 9.899 2.813 15.746 1.00 0.00 C ATOM 1508 O THR A 98 10.550 2.210 16.601 1.00 0.00 O ATOM 1509 CB THR A 98 8.059 4.267 16.599 1.00 0.00 C ATOM 1510 OG1 THR A 98 8.137 3.897 17.980 1.00 0.00 O ATOM 1511 CG2 THR A 98 7.131 3.312 15.864 1.00 0.00 C ATOM 0 H THR A 98 8.578 5.291 14.377 1.00 0.00 H new ATOM 0 HA THR A 98 10.163 4.742 16.652 1.00 0.00 H new ATOM 0 HB THR A 98 7.655 5.276 16.517 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.239 3.907 18.373 1.00 0.00 H new ATOM 0 HG21 THR A 98 6.144 3.336 16.326 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.050 3.614 14.820 1.00 0.00 H new ATOM 0 HG23 THR A 98 7.533 2.300 15.919 1.00 0.00 H new ATOM 1519 N CYS A 99 9.535 2.262 14.593 1.00 0.00 N ATOM 1520 CA CYS A 99 9.887 0.887 14.257 1.00 0.00 C ATOM 1521 C CYS A 99 11.157 0.842 13.414 1.00 0.00 C ATOM 1522 O CYS A 99 11.767 -0.215 13.246 1.00 0.00 O ATOM 1523 CB CYS A 99 8.738 0.213 13.507 1.00 0.00 C ATOM 1524 SG CYS A 99 7.437 -0.439 14.581 1.00 0.00 S ATOM 0 H CYS A 99 8.996 2.747 13.875 1.00 0.00 H new ATOM 0 HA CYS A 99 10.070 0.347 15.186 1.00 0.00 H new ATOM 0 HB2 CYS A 99 8.298 0.932 12.816 1.00 0.00 H new ATOM 0 HB3 CYS A 99 9.140 -0.602 12.905 1.00 0.00 H new ATOM 0 HG CYS A 99 6.274 -0.146 14.081 1.00 0.00 H new ATOM 1530 N LYS A 100 11.550 1.994 12.883 1.00 0.00 N ATOM 1531 CA LYS A 100 12.747 2.088 12.056 1.00 0.00 C ATOM 1532 C LYS A 100 12.599 1.252 10.788 1.00 0.00 C ATOM 1533 O LYS A 100 13.498 0.494 10.424 1.00 0.00 O ATOM 1534 CB LYS A 100 13.974 1.624 12.844 1.00 0.00 C ATOM 1535 CG LYS A 100 14.099 2.274 14.211 1.00 0.00 C ATOM 1536 CD LYS A 100 13.311 1.513 15.264 1.00 0.00 C ATOM 1537 CE LYS A 100 13.905 1.703 16.651 1.00 0.00 C ATOM 1538 NZ LYS A 100 14.956 0.691 16.949 1.00 0.00 N ATOM 0 H LYS A 100 11.056 2.877 13.011 1.00 0.00 H new ATOM 0 HA LYS A 100 12.879 3.131 11.770 1.00 0.00 H new ATOM 0 HB2 LYS A 100 13.928 0.542 12.968 1.00 0.00 H new ATOM 0 HB3 LYS A 100 14.871 1.841 12.264 1.00 0.00 H new ATOM 0 HG2 LYS A 100 15.149 2.316 14.500 1.00 0.00 H new ATOM 0 HG3 LYS A 100 13.741 3.302 14.160 1.00 0.00 H new ATOM 0 HD2 LYS A 100 12.275 1.853 15.261 1.00 0.00 H new ATOM 0 HD3 LYS A 100 13.299 0.452 15.015 1.00 0.00 H new ATOM 0 HE2 LYS A 100 14.332 2.703 16.729 1.00 0.00 H new ATOM 0 HE3 LYS A 100 13.113 1.635 17.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 15.335 0.855 17.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 14.544 -0.263 16.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 15.724 0.773 16.252 1.00 0.00 H new ATOM 1552 N ALA A 101 11.460 1.397 10.119 1.00 0.00 N ATOM 1553 CA ALA A 101 11.197 0.658 8.890 1.00 0.00 C ATOM 1554 C ALA A 101 11.155 1.593 7.686 1.00 0.00 C ATOM 1555 O ALA A 101 11.111 2.813 7.838 1.00 0.00 O ATOM 1556 CB ALA A 101 9.890 -0.113 9.008 1.00 0.00 C ATOM 0 H ALA A 101 10.705 2.019 10.407 1.00 0.00 H new ATOM 0 HA ALA A 101 12.012 -0.050 8.739 1.00 0.00 H new ATOM 0 HB1 ALA A 101 9.706 -0.660 8.084 1.00 0.00 H new ATOM 0 HB2 ALA A 101 9.956 -0.816 9.839 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.071 0.584 9.186 1.00 0.00 H new ATOM 1562 N GLN A 102 11.169 1.012 6.491 1.00 0.00 N ATOM 1563 CA GLN A 102 11.134 1.794 5.261 1.00 0.00 C ATOM 1564 C GLN A 102 9.824 1.572 4.511 1.00 0.00 C ATOM 1565 O GLN A 102 9.375 0.438 4.350 1.00 0.00 O ATOM 1566 CB GLN A 102 12.317 1.427 4.364 1.00 0.00 C ATOM 1567 CG GLN A 102 12.210 0.039 3.754 1.00 0.00 C ATOM 1568 CD GLN A 102 13.477 -0.383 3.036 1.00 0.00 C ATOM 1569 OE1 GLN A 102 13.640 -0.132 1.841 1.00 0.00 O ATOM 1570 NE2 GLN A 102 14.384 -1.026 3.762 1.00 0.00 N ATOM 0 H GLN A 102 11.204 0.003 6.348 1.00 0.00 H new ATOM 0 HA GLN A 102 11.204 2.848 5.529 1.00 0.00 H new ATOM 0 HB2 GLN A 102 12.396 2.162 3.563 1.00 0.00 H new ATOM 0 HB3 GLN A 102 13.237 1.489 4.946 1.00 0.00 H new ATOM 0 HG2 GLN A 102 11.985 -0.682 4.539 1.00 0.00 H new ATOM 0 HG3 GLN A 102 11.376 0.018 3.053 1.00 0.00 H new ATOM 0 HE21 GLN A 102 14.208 -1.213 4.749 1.00 0.00 H new ATOM 0 HE22 GLN A 102 15.257 -1.333 3.333 1.00 0.00 H new ATOM 1579 N ALA A 103 9.216 2.663 4.056 1.00 0.00 N ATOM 1580 CA ALA A 103 7.959 2.586 3.323 1.00 0.00 C ATOM 1581 C ALA A 103 8.186 2.107 1.893 1.00 0.00 C ATOM 1582 O ALA A 103 9.094 2.577 1.208 1.00 0.00 O ATOM 1583 CB ALA A 103 7.265 3.940 3.324 1.00 0.00 C ATOM 0 H ALA A 103 9.574 3.610 4.182 1.00 0.00 H new ATOM 0 HA ALA A 103 7.318 1.860 3.824 1.00 0.00 H new ATOM 0 HB1 ALA A 103 6.327 3.869 2.773 1.00 0.00 H new ATOM 0 HB2 ALA A 103 7.060 4.243 4.351 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.910 4.680 2.849 1.00 0.00 H new ATOM 1589 N ALA A 104 7.356 1.169 1.449 1.00 0.00 N ATOM 1590 CA ALA A 104 7.466 0.628 0.100 1.00 0.00 C ATOM 1591 C ALA A 104 7.548 1.745 -0.935 1.00 0.00 C ATOM 1592 O ALA A 104 6.917 2.794 -0.802 1.00 0.00 O ATOM 1593 CB ALA A 104 6.287 -0.287 -0.199 1.00 0.00 C ATOM 0 H ALA A 104 6.600 0.768 2.004 1.00 0.00 H new ATOM 0 HA ALA A 104 8.387 0.047 0.042 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.382 -0.684 -1.210 1.00 0.00 H new ATOM 0 HB2 ALA A 104 6.275 -1.111 0.515 1.00 0.00 H new ATOM 0 HB3 ALA A 104 5.358 0.278 -0.117 1.00 0.00 H new ATOM 1599 N PRO A 105 8.343 1.517 -1.991 1.00 0.00 N ATOM 1600 CA PRO A 105 8.525 2.493 -3.069 1.00 0.00 C ATOM 1601 C PRO A 105 7.273 2.655 -3.923 1.00 0.00 C ATOM 1602 O PRO A 105 6.315 1.892 -3.791 1.00 0.00 O ATOM 1603 CB PRO A 105 9.665 1.896 -3.899 1.00 0.00 C ATOM 1604 CG PRO A 105 9.600 0.432 -3.633 1.00 0.00 C ATOM 1605 CD PRO A 105 9.124 0.289 -2.214 1.00 0.00 C ATOM 0 HA PRO A 105 8.736 3.490 -2.684 1.00 0.00 H new ATOM 0 HB2 PRO A 105 9.538 2.112 -4.960 1.00 0.00 H new ATOM 0 HB3 PRO A 105 10.629 2.310 -3.603 1.00 0.00 H new ATOM 0 HG2 PRO A 105 8.917 -0.060 -4.325 1.00 0.00 H new ATOM 0 HG3 PRO A 105 10.577 -0.032 -3.765 1.00 0.00 H new ATOM 0 HD2 PRO A 105 8.514 -0.605 -2.083 1.00 0.00 H new ATOM 0 HD3 PRO A 105 9.958 0.211 -1.516 1.00 0.00 H new ATOM 1613 N LYS A 106 7.285 3.653 -4.800 1.00 0.00 N ATOM 1614 CA LYS A 106 6.151 3.915 -5.678 1.00 0.00 C ATOM 1615 C LYS A 106 6.204 3.025 -6.916 1.00 0.00 C ATOM 1616 O LYS A 106 5.171 2.586 -7.421 1.00 0.00 O ATOM 1617 CB LYS A 106 6.131 5.387 -6.095 1.00 0.00 C ATOM 1618 CG LYS A 106 7.341 5.803 -6.915 1.00 0.00 C ATOM 1619 CD LYS A 106 7.489 7.315 -6.962 1.00 0.00 C ATOM 1620 CE LYS A 106 8.307 7.831 -5.788 1.00 0.00 C ATOM 1621 NZ LYS A 106 9.756 7.522 -5.943 1.00 0.00 N ATOM 0 H LYS A 106 8.069 4.294 -4.922 1.00 0.00 H new ATOM 0 HA LYS A 106 5.238 3.688 -5.128 1.00 0.00 H new ATOM 0 HB2 LYS A 106 5.227 5.580 -6.673 1.00 0.00 H new ATOM 0 HB3 LYS A 106 6.077 6.009 -5.201 1.00 0.00 H new ATOM 0 HG2 LYS A 106 8.241 5.361 -6.487 1.00 0.00 H new ATOM 0 HG3 LYS A 106 7.246 5.414 -7.929 1.00 0.00 H new ATOM 0 HD2 LYS A 106 7.968 7.606 -7.897 1.00 0.00 H new ATOM 0 HD3 LYS A 106 6.503 7.779 -6.952 1.00 0.00 H new ATOM 0 HE2 LYS A 106 8.173 8.909 -5.698 1.00 0.00 H new ATOM 0 HE3 LYS A 106 7.937 7.386 -4.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 10.307 8.096 -5.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 9.918 6.513 -5.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 10.056 7.742 -6.914 1.00 0.00 H new ATOM 1635 N SER A 107 7.415 2.763 -7.399 1.00 0.00 N ATOM 1636 CA SER A 107 7.602 1.928 -8.579 1.00 0.00 C ATOM 1637 C SER A 107 6.741 0.671 -8.498 1.00 0.00 C ATOM 1638 O SER A 107 5.988 0.359 -9.422 1.00 0.00 O ATOM 1639 CB SER A 107 9.075 1.541 -8.727 1.00 0.00 C ATOM 1640 OG SER A 107 9.348 1.064 -10.034 1.00 0.00 O ATOM 0 H SER A 107 8.280 3.117 -6.991 1.00 0.00 H new ATOM 0 HA SER A 107 7.294 2.503 -9.452 1.00 0.00 H new ATOM 0 HB2 SER A 107 9.705 2.405 -8.513 1.00 0.00 H new ATOM 0 HB3 SER A 107 9.328 0.773 -7.996 1.00 0.00 H new ATOM 0 HG SER A 107 10.296 0.825 -10.104 1.00 0.00 H new ATOM 1646 N LEU A 108 6.856 -0.047 -7.386 1.00 0.00 N ATOM 1647 CA LEU A 108 6.089 -1.271 -7.182 1.00 0.00 C ATOM 1648 C LEU A 108 4.681 -1.132 -7.753 1.00 0.00 C ATOM 1649 O LEU A 108 4.065 -2.117 -8.160 1.00 0.00 O ATOM 1650 CB LEU A 108 6.016 -1.608 -5.692 1.00 0.00 C ATOM 1651 CG LEU A 108 7.270 -2.235 -5.083 1.00 0.00 C ATOM 1652 CD1 LEU A 108 7.147 -2.316 -3.570 1.00 0.00 C ATOM 1653 CD2 LEU A 108 7.517 -3.615 -5.675 1.00 0.00 C ATOM 0 H LEU A 108 7.473 0.197 -6.612 1.00 0.00 H new ATOM 0 HA LEU A 108 6.596 -2.081 -7.707 1.00 0.00 H new ATOM 0 HB2 LEU A 108 5.789 -0.694 -5.144 1.00 0.00 H new ATOM 0 HB3 LEU A 108 5.180 -2.290 -5.535 1.00 0.00 H new ATOM 0 HG LEU A 108 8.123 -1.600 -5.323 1.00 0.00 H new ATOM 0 HD11 LEU A 108 8.049 -2.765 -3.155 1.00 0.00 H new ATOM 0 HD12 LEU A 108 7.020 -1.314 -3.161 1.00 0.00 H new ATOM 0 HD13 LEU A 108 6.284 -2.927 -3.307 1.00 0.00 H new ATOM 0 HD21 LEU A 108 8.414 -4.047 -5.230 1.00 0.00 H new ATOM 0 HD22 LEU A 108 6.662 -4.259 -5.466 1.00 0.00 H new ATOM 0 HD23 LEU A 108 7.652 -3.530 -6.753 1.00 0.00 H new ATOM 1665 N PHE A 109 4.179 0.098 -7.783 1.00 0.00 N ATOM 1666 CA PHE A 109 2.844 0.367 -8.306 1.00 0.00 C ATOM 1667 C PHE A 109 2.919 1.160 -9.607 1.00 0.00 C ATOM 1668 O PHE A 109 2.229 2.165 -9.773 1.00 0.00 O ATOM 1669 CB PHE A 109 2.014 1.134 -7.275 1.00 0.00 C ATOM 1670 CG PHE A 109 2.197 0.638 -5.869 1.00 0.00 C ATOM 1671 CD1 PHE A 109 3.354 0.927 -5.163 1.00 0.00 C ATOM 1672 CD2 PHE A 109 1.212 -0.118 -5.253 1.00 0.00 C ATOM 1673 CE1 PHE A 109 3.525 0.471 -3.870 1.00 0.00 C ATOM 1674 CE2 PHE A 109 1.378 -0.577 -3.960 1.00 0.00 C ATOM 1675 CZ PHE A 109 2.535 -0.281 -3.267 1.00 0.00 C ATOM 0 H PHE A 109 4.676 0.925 -7.451 1.00 0.00 H new ATOM 0 HA PHE A 109 2.362 -0.589 -8.511 1.00 0.00 H new ATOM 0 HB2 PHE A 109 2.282 2.190 -7.317 1.00 0.00 H new ATOM 0 HB3 PHE A 109 0.960 1.062 -7.543 1.00 0.00 H new ATOM 0 HD1 PHE A 109 4.131 1.515 -5.629 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.304 -0.351 -5.790 1.00 0.00 H new ATOM 0 HE1 PHE A 109 4.432 0.702 -3.331 1.00 0.00 H new ATOM 0 HE2 PHE A 109 0.604 -1.167 -3.492 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.666 -0.637 -2.256 1.00 0.00 H new ATOM 1685 N GLU A 110 3.763 0.700 -10.526 1.00 0.00 N ATOM 1686 CA GLU A 110 3.930 1.368 -11.811 1.00 0.00 C ATOM 1687 C GLU A 110 2.732 1.106 -12.720 1.00 0.00 C ATOM 1688 O GLU A 110 2.538 1.792 -13.722 1.00 0.00 O ATOM 1689 CB GLU A 110 5.215 0.896 -12.494 1.00 0.00 C ATOM 1690 CG GLU A 110 6.432 1.738 -12.151 1.00 0.00 C ATOM 1691 CD GLU A 110 7.633 1.407 -13.015 1.00 0.00 C ATOM 1692 OE1 GLU A 110 8.001 0.215 -13.086 1.00 0.00 O ATOM 1693 OE2 GLU A 110 8.206 2.338 -13.618 1.00 0.00 O ATOM 0 H GLU A 110 4.341 -0.132 -10.404 1.00 0.00 H new ATOM 0 HA GLU A 110 3.998 2.440 -11.628 1.00 0.00 H new ATOM 0 HB2 GLU A 110 5.408 -0.139 -12.210 1.00 0.00 H new ATOM 0 HB3 GLU A 110 5.068 0.908 -13.574 1.00 0.00 H new ATOM 0 HG2 GLU A 110 6.184 2.793 -12.269 1.00 0.00 H new ATOM 0 HG3 GLU A 110 6.690 1.586 -11.103 1.00 0.00 H new ATOM 1700 N ASN A 111 1.932 0.107 -12.361 1.00 0.00 N ATOM 1701 CA ASN A 111 0.754 -0.248 -13.143 1.00 0.00 C ATOM 1702 C ASN A 111 -0.502 0.391 -12.557 1.00 0.00 C ATOM 1703 O ASN A 111 -1.535 -0.262 -12.417 1.00 0.00 O ATOM 1704 CB ASN A 111 0.589 -1.768 -13.195 1.00 0.00 C ATOM 1705 CG ASN A 111 1.771 -2.456 -13.850 1.00 0.00 C ATOM 1706 OD1 ASN A 111 2.206 -2.067 -14.934 1.00 0.00 O ATOM 1707 ND2 ASN A 111 2.295 -3.484 -13.194 1.00 0.00 N ATOM 0 H ASN A 111 2.078 -0.471 -11.533 1.00 0.00 H new ATOM 0 HA ASN A 111 0.894 0.131 -14.155 1.00 0.00 H new ATOM 0 HB2 ASN A 111 0.464 -2.152 -12.183 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -0.320 -2.013 -13.744 1.00 0.00 H new ATOM 0 HD21 ASN A 111 3.091 -3.987 -13.586 1.00 0.00 H new ATOM 0 HD22 ASN A 111 1.901 -3.771 -12.298 1.00 0.00 H new ATOM 1714 N GLN A 112 -0.403 1.673 -12.218 1.00 0.00 N ATOM 1715 CA GLN A 112 -1.531 2.400 -11.647 1.00 0.00 C ATOM 1716 C GLN A 112 -2.059 3.442 -12.627 1.00 0.00 C ATOM 1717 O GLN A 112 -3.206 3.369 -13.067 1.00 0.00 O ATOM 1718 CB GLN A 112 -1.119 3.077 -10.338 1.00 0.00 C ATOM 1719 CG GLN A 112 -0.868 2.100 -9.201 1.00 0.00 C ATOM 1720 CD GLN A 112 -2.118 1.813 -8.392 1.00 0.00 C ATOM 1721 OE1 GLN A 112 -3.217 2.231 -8.757 1.00 0.00 O ATOM 1722 NE2 GLN A 112 -1.957 1.096 -7.286 1.00 0.00 N ATOM 0 H GLN A 112 0.445 2.229 -12.329 1.00 0.00 H new ATOM 0 HA GLN A 112 -2.327 1.683 -11.443 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -0.215 3.662 -10.510 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -1.899 3.777 -10.039 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -0.481 1.166 -9.608 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -0.099 2.504 -8.543 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -1.028 0.769 -7.021 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -2.763 0.872 -6.702 1.00 0.00 H new ATOM 1731 N ASN A 113 -1.215 4.411 -12.965 1.00 0.00 N ATOM 1732 CA ASN A 113 -1.598 5.469 -13.893 1.00 0.00 C ATOM 1733 C ASN A 113 -0.841 5.337 -15.211 1.00 0.00 C ATOM 1734 O ASN A 113 0.223 4.719 -15.268 1.00 0.00 O ATOM 1735 CB ASN A 113 -1.329 6.842 -13.273 1.00 0.00 C ATOM 1736 CG ASN A 113 0.118 7.013 -12.852 1.00 0.00 C ATOM 1737 OD1 ASN A 113 0.917 7.615 -13.568 1.00 0.00 O ATOM 1738 ND2 ASN A 113 0.460 6.482 -11.684 1.00 0.00 N ATOM 0 H ASN A 113 -0.262 4.486 -12.610 1.00 0.00 H new ATOM 0 HA ASN A 113 -2.665 5.372 -14.096 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -1.590 7.619 -13.991 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -1.975 6.979 -12.406 1.00 0.00 H new ATOM 0 HD21 ASN A 113 1.419 6.565 -11.347 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -0.237 5.991 -11.123 1.00 0.00 H new ATOM 1745 N ILE A 114 -1.395 5.922 -16.267 1.00 0.00 N ATOM 1746 CA ILE A 114 -0.772 5.871 -17.583 1.00 0.00 C ATOM 1747 C ILE A 114 0.503 6.707 -17.620 1.00 0.00 C ATOM 1748 O ILE A 114 0.601 7.741 -16.959 1.00 0.00 O ATOM 1749 CB ILE A 114 -1.731 6.369 -18.680 1.00 0.00 C ATOM 1750 CG1 ILE A 114 -3.005 5.522 -18.698 1.00 0.00 C ATOM 1751 CG2 ILE A 114 -1.046 6.335 -20.038 1.00 0.00 C ATOM 1752 CD1 ILE A 114 -4.044 5.972 -17.695 1.00 0.00 C ATOM 0 H ILE A 114 -2.275 6.437 -16.237 1.00 0.00 H new ATOM 0 HA ILE A 114 -0.525 4.827 -17.775 1.00 0.00 H new ATOM 0 HB ILE A 114 -2.007 7.400 -18.460 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -3.439 5.554 -19.697 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -2.744 4.483 -18.497 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -1.737 6.690 -20.803 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -0.166 6.978 -20.018 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -0.744 5.313 -20.268 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -4.920 5.327 -17.764 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -3.628 5.913 -16.689 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -4.334 7.001 -17.908 1.00 0.00 H new ATOM 1764 N THR A 115 1.480 6.253 -18.400 1.00 0.00 N ATOM 1765 CA THR A 115 2.749 6.958 -18.525 1.00 0.00 C ATOM 1766 C THR A 115 2.777 7.821 -19.781 1.00 0.00 C ATOM 1767 O THR A 115 2.712 7.310 -20.899 1.00 0.00 O ATOM 1768 CB THR A 115 3.936 5.977 -18.562 1.00 0.00 C ATOM 1769 OG1 THR A 115 3.977 5.211 -17.353 1.00 0.00 O ATOM 1770 CG2 THR A 115 5.249 6.723 -18.741 1.00 0.00 C ATOM 0 H THR A 115 1.416 5.399 -18.955 1.00 0.00 H new ATOM 0 HA THR A 115 2.843 7.597 -17.647 1.00 0.00 H new ATOM 0 HB THR A 115 3.799 5.307 -19.411 1.00 0.00 H new ATOM 0 HG1 THR A 115 4.733 4.589 -17.385 1.00 0.00 H new ATOM 0 HG21 THR A 115 6.073 6.009 -18.764 1.00 0.00 H new ATOM 0 HG22 THR A 115 5.226 7.281 -19.677 1.00 0.00 H new ATOM 0 HG23 THR A 115 5.391 7.414 -17.910 1.00 0.00 H new ATOM 1778 N VAL A 116 2.876 9.133 -19.591 1.00 0.00 N ATOM 1779 CA VAL A 116 2.915 10.067 -20.709 1.00 0.00 C ATOM 1780 C VAL A 116 4.275 10.749 -20.809 1.00 0.00 C ATOM 1781 O VAL A 116 4.833 11.191 -19.804 1.00 0.00 O ATOM 1782 CB VAL A 116 1.821 11.144 -20.580 1.00 0.00 C ATOM 1783 CG1 VAL A 116 1.813 12.046 -21.804 1.00 0.00 C ATOM 1784 CG2 VAL A 116 0.460 10.497 -20.374 1.00 0.00 C ATOM 0 H VAL A 116 2.931 9.573 -18.672 1.00 0.00 H new ATOM 0 HA VAL A 116 2.736 9.485 -21.613 1.00 0.00 H new ATOM 0 HB VAL A 116 2.041 11.759 -19.708 1.00 0.00 H new ATOM 0 HG11 VAL A 116 1.034 12.800 -21.695 1.00 0.00 H new ATOM 0 HG12 VAL A 116 2.782 12.536 -21.901 1.00 0.00 H new ATOM 0 HG13 VAL A 116 1.618 11.449 -22.695 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -0.301 11.272 -20.285 1.00 0.00 H new ATOM 0 HG22 VAL A 116 0.229 9.857 -21.226 1.00 0.00 H new ATOM 0 HG23 VAL A 116 0.476 9.898 -19.464 1.00 0.00 H new ATOM 1794 N ILE A 117 4.802 10.832 -22.025 1.00 0.00 N ATOM 1795 CA ILE A 117 6.096 11.462 -22.256 1.00 0.00 C ATOM 1796 C ILE A 117 6.000 12.978 -22.125 1.00 0.00 C ATOM 1797 O ILE A 117 5.009 13.598 -22.510 1.00 0.00 O ATOM 1798 CB ILE A 117 6.652 11.112 -23.649 1.00 0.00 C ATOM 1799 CG1 ILE A 117 5.691 11.589 -24.740 1.00 0.00 C ATOM 1800 CG2 ILE A 117 6.890 9.614 -23.764 1.00 0.00 C ATOM 1801 CD1 ILE A 117 6.271 11.507 -26.134 1.00 0.00 C ATOM 0 H ILE A 117 4.353 10.471 -22.866 1.00 0.00 H new ATOM 0 HA ILE A 117 6.775 11.076 -21.496 1.00 0.00 H new ATOM 0 HB ILE A 117 7.606 11.623 -23.782 1.00 0.00 H new ATOM 0 HG12 ILE A 117 4.781 10.991 -24.698 1.00 0.00 H new ATOM 0 HG13 ILE A 117 5.404 12.620 -24.535 1.00 0.00 H new ATOM 0 HG21 ILE A 117 7.283 9.383 -24.754 1.00 0.00 H new ATOM 0 HG22 ILE A 117 7.608 9.300 -23.006 1.00 0.00 H new ATOM 0 HG23 ILE A 117 5.950 9.084 -23.614 1.00 0.00 H new ATOM 0 HD11 ILE A 117 5.535 11.861 -26.856 1.00 0.00 H new ATOM 0 HD12 ILE A 117 7.165 12.128 -26.193 1.00 0.00 H new ATOM 0 HD13 ILE A 117 6.532 10.473 -26.359 1.00 0.00 H new ATOM 1813 N PRO A 118 7.055 13.591 -21.569 1.00 0.00 N ATOM 1814 CA PRO A 118 7.116 15.043 -21.376 1.00 0.00 C ATOM 1815 C PRO A 118 7.248 15.798 -22.694 1.00 0.00 C ATOM 1816 O PRO A 118 6.509 16.748 -22.953 1.00 0.00 O ATOM 1817 CB PRO A 118 8.371 15.236 -20.522 1.00 0.00 C ATOM 1818 CG PRO A 118 9.222 14.051 -20.826 1.00 0.00 C ATOM 1819 CD PRO A 118 8.271 12.915 -21.086 1.00 0.00 C ATOM 0 HA PRO A 118 6.207 15.431 -20.916 1.00 0.00 H new ATOM 0 HB2 PRO A 118 8.882 16.165 -20.774 1.00 0.00 H new ATOM 0 HB3 PRO A 118 8.124 15.285 -19.461 1.00 0.00 H new ATOM 0 HG2 PRO A 118 9.855 14.237 -21.694 1.00 0.00 H new ATOM 0 HG3 PRO A 118 9.885 13.822 -19.992 1.00 0.00 H new ATOM 0 HD2 PRO A 118 8.667 12.222 -21.828 1.00 0.00 H new ATOM 0 HD3 PRO A 118 8.078 12.338 -20.182 1.00 0.00 H new ATOM 1827 N SER A 119 8.193 15.369 -23.525 1.00 0.00 N ATOM 1828 CA SER A 119 8.423 16.007 -24.815 1.00 0.00 C ATOM 1829 C SER A 119 7.103 16.276 -25.532 1.00 0.00 C ATOM 1830 O SER A 119 6.086 15.648 -25.240 1.00 0.00 O ATOM 1831 CB SER A 119 9.321 15.129 -25.689 1.00 0.00 C ATOM 1832 OG SER A 119 8.662 13.928 -26.051 1.00 0.00 O ATOM 0 H SER A 119 8.811 14.582 -23.327 1.00 0.00 H new ATOM 0 HA SER A 119 8.921 16.960 -24.637 1.00 0.00 H new ATOM 0 HB2 SER A 119 9.607 15.676 -26.588 1.00 0.00 H new ATOM 0 HB3 SER A 119 10.240 14.896 -25.152 1.00 0.00 H new ATOM 0 HG SER A 119 8.725 13.285 -25.314 1.00 0.00 H new ATOM 1838 N GLY A 120 7.128 17.216 -26.472 1.00 0.00 N ATOM 1839 CA GLY A 120 5.928 17.553 -27.216 1.00 0.00 C ATOM 1840 C GLY A 120 6.064 18.859 -27.974 1.00 0.00 C ATOM 1841 O GLY A 120 6.934 19.674 -27.669 1.00 0.00 O ATOM 0 H GLY A 120 7.957 17.750 -26.732 1.00 0.00 H new ATOM 0 HA2 GLY A 120 5.702 16.751 -27.918 1.00 0.00 H new ATOM 0 HA3 GLY A 120 5.085 17.621 -26.528 1.00 0.00 H new ATOM 1845 N PHE A 121 5.201 19.058 -28.965 1.00 0.00 N ATOM 1846 CA PHE A 121 5.230 20.273 -29.771 1.00 0.00 C ATOM 1847 C PHE A 121 4.276 21.322 -29.207 1.00 0.00 C ATOM 1848 O PHE A 121 3.078 21.076 -29.066 1.00 0.00 O ATOM 1849 CB PHE A 121 4.859 19.957 -31.221 1.00 0.00 C ATOM 1850 CG PHE A 121 5.245 21.040 -32.188 1.00 0.00 C ATOM 1851 CD1 PHE A 121 4.386 22.097 -32.444 1.00 0.00 C ATOM 1852 CD2 PHE A 121 6.467 21.001 -32.841 1.00 0.00 C ATOM 1853 CE1 PHE A 121 4.739 23.094 -33.334 1.00 0.00 C ATOM 1854 CE2 PHE A 121 6.825 21.996 -33.731 1.00 0.00 C ATOM 1855 CZ PHE A 121 5.960 23.044 -33.977 1.00 0.00 C ATOM 0 H PHE A 121 4.473 18.394 -29.229 1.00 0.00 H new ATOM 0 HA PHE A 121 6.243 20.675 -29.742 1.00 0.00 H new ATOM 0 HB2 PHE A 121 5.344 19.027 -31.517 1.00 0.00 H new ATOM 0 HB3 PHE A 121 3.784 19.790 -31.285 1.00 0.00 H new ATOM 0 HD1 PHE A 121 3.430 22.142 -31.943 1.00 0.00 H new ATOM 0 HD2 PHE A 121 7.147 20.184 -32.652 1.00 0.00 H new ATOM 0 HE1 PHE A 121 4.060 23.912 -33.526 1.00 0.00 H new ATOM 0 HE2 PHE A 121 7.780 21.954 -34.233 1.00 0.00 H new ATOM 0 HZ PHE A 121 6.238 23.823 -34.671 1.00 0.00 H new ATOM 1865 N SER A 122 4.817 22.493 -28.885 1.00 0.00 N ATOM 1866 CA SER A 122 4.016 23.579 -28.332 1.00 0.00 C ATOM 1867 C SER A 122 3.984 24.770 -29.285 1.00 0.00 C ATOM 1868 O SER A 122 4.708 24.804 -30.279 1.00 0.00 O ATOM 1869 CB SER A 122 4.574 24.012 -26.975 1.00 0.00 C ATOM 1870 OG SER A 122 5.817 24.676 -27.122 1.00 0.00 O ATOM 0 H SER A 122 5.806 22.714 -28.998 1.00 0.00 H new ATOM 0 HA SER A 122 2.997 23.215 -28.199 1.00 0.00 H new ATOM 0 HB2 SER A 122 3.862 24.672 -26.480 1.00 0.00 H new ATOM 0 HB3 SER A 122 4.698 23.139 -26.334 1.00 0.00 H new ATOM 0 HG SER A 122 6.151 24.944 -26.240 1.00 0.00 H new ATOM 1876 N GLY A 123 3.138 25.747 -28.973 1.00 0.00 N ATOM 1877 CA GLY A 123 3.027 26.927 -29.810 1.00 0.00 C ATOM 1878 C GLY A 123 2.529 28.137 -29.044 1.00 0.00 C ATOM 1879 O GLY A 123 1.711 28.026 -28.131 1.00 0.00 O ATOM 0 H GLY A 123 2.528 25.742 -28.156 1.00 0.00 H new ATOM 0 HA2 GLY A 123 4.000 27.152 -30.246 1.00 0.00 H new ATOM 0 HA3 GLY A 123 2.348 26.720 -30.637 1.00 0.00 H new ATOM 1883 N PRO A 124 3.028 29.325 -29.416 1.00 0.00 N ATOM 1884 CA PRO A 124 2.644 30.583 -28.769 1.00 0.00 C ATOM 1885 C PRO A 124 1.205 30.980 -29.083 1.00 0.00 C ATOM 1886 O PRO A 124 0.497 30.270 -29.797 1.00 0.00 O ATOM 1887 CB PRO A 124 3.621 31.600 -29.363 1.00 0.00 C ATOM 1888 CG PRO A 124 4.014 31.024 -30.679 1.00 0.00 C ATOM 1889 CD PRO A 124 4.007 29.531 -30.497 1.00 0.00 C ATOM 0 HA PRO A 124 2.689 30.513 -27.682 1.00 0.00 H new ATOM 0 HB2 PRO A 124 3.152 32.577 -29.483 1.00 0.00 H new ATOM 0 HB3 PRO A 124 4.488 31.740 -28.717 1.00 0.00 H new ATOM 0 HG2 PRO A 124 3.316 31.325 -31.461 1.00 0.00 H new ATOM 0 HG3 PRO A 124 5.001 31.376 -30.980 1.00 0.00 H new ATOM 0 HD2 PRO A 124 3.711 29.016 -31.411 1.00 0.00 H new ATOM 0 HD3 PRO A 124 4.993 29.155 -30.224 1.00 0.00 H new ATOM 1897 N SER A 125 0.780 32.118 -28.545 1.00 0.00 N ATOM 1898 CA SER A 125 -0.576 32.608 -28.765 1.00 0.00 C ATOM 1899 C SER A 125 -0.561 34.066 -29.213 1.00 0.00 C ATOM 1900 O SER A 125 0.484 34.717 -29.209 1.00 0.00 O ATOM 1901 CB SER A 125 -1.407 32.463 -27.488 1.00 0.00 C ATOM 1902 OG SER A 125 -1.878 31.136 -27.334 1.00 0.00 O ATOM 0 H SER A 125 1.355 32.718 -27.954 1.00 0.00 H new ATOM 0 HA SER A 125 -1.029 32.008 -29.555 1.00 0.00 H new ATOM 0 HB2 SER A 125 -0.803 32.740 -26.624 1.00 0.00 H new ATOM 0 HB3 SER A 125 -2.252 33.151 -27.520 1.00 0.00 H new ATOM 0 HG SER A 125 -2.404 31.069 -26.510 1.00 0.00 H new ATOM 1908 N SER A 126 -1.728 34.572 -29.599 1.00 0.00 N ATOM 1909 CA SER A 126 -1.849 35.952 -30.054 1.00 0.00 C ATOM 1910 C SER A 126 -1.482 36.926 -28.939 1.00 0.00 C ATOM 1911 O SER A 126 -1.411 36.551 -27.770 1.00 0.00 O ATOM 1912 CB SER A 126 -3.274 36.228 -30.539 1.00 0.00 C ATOM 1913 OG SER A 126 -4.147 36.464 -29.448 1.00 0.00 O ATOM 0 H SER A 126 -2.603 34.047 -29.606 1.00 0.00 H new ATOM 0 HA SER A 126 -1.156 36.098 -30.882 1.00 0.00 H new ATOM 0 HB2 SER A 126 -3.275 37.092 -31.203 1.00 0.00 H new ATOM 0 HB3 SER A 126 -3.634 35.379 -31.120 1.00 0.00 H new ATOM 0 HG SER A 126 -5.051 36.639 -29.784 1.00 0.00 H new ATOM 1919 N GLY A 127 -1.249 38.181 -29.311 1.00 0.00 N ATOM 1920 CA GLY A 127 -0.891 39.191 -28.332 1.00 0.00 C ATOM 1921 C GLY A 127 0.365 39.949 -28.713 1.00 0.00 C ATOM 1922 O GLY A 127 1.015 40.555 -27.862 1.00 0.00 O ATOM 0 H GLY A 127 -1.302 38.516 -30.273 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -1.716 39.894 -28.222 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -0.745 38.716 -27.362 1.00 0.00 H new TER 1926 GLY A 127