USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 824 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 NoAdj-H: A 28 HIS HD1 : A 28 HIS ND1 : A 200 ZNZN :(H bumps) USER MOD NoAdj-H: A 32 HIS HE2 : A 32 HIS NE2 : A 200 ZNZN :(H bumps) USER MOD NoAdj-H: A 56 HIS HE2 : A 56 HIS NE2 : A 300 ZNZN :(H bumps) USER MOD NoAdj-H: A 60 HIS HE2 : A 60 HIS NE2 : A 300 ZNZN :(H bumps) USER MOD NoAdj-H: A 84 HIS HE2 : A 84 HIS NE2 : A 400 ZNZN :(H bumps) USER MOD Set 1.1: A 51 HIS : no HE2:sc= -3.72! C(o=-5.6!,f=-7.5!) USER MOD Set 1.2: A 52 HIS : no HD1:sc= -1.86 K(o=-5.6,f=-6.6!) USER MOD Single : A 1 GLY N :NH3+ -109:sc= 0.0607 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0749 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 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -146:sc= -0.5 (180deg=-2.21!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= -0.0836 X(o=-0.084,f=-0.31) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 MET CE :methyl -149:sc= -0.616 (180deg=-1.99!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl -166:sc= -0.499 (180deg=-1.21) USER MOD Single : A 38 TYR OH : rot 30:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -167:sc= 1.06 (180deg=0.94) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 175:sc= -4.85! (180deg=-5.33!) USER MOD Single : A 58 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0107) USER MOD Single : A 61 THR OG1 : rot -67:sc= 0.455 USER MOD Single : A 64 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.132) USER MOD Single : A 66 TYR OH : rot 180:sc= 0.196 USER MOD Single : A 69 ASN : amide:sc= -1.53! C(o=-1.5!,f=-4.9!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= -0.802 K(o=-0.8,f=-2.3) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 83:sc= 1.21 USER MOD Single : A 90 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.494) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 21:sc= 0.0916 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.449 15.841 43.256 1.00 0.00 N ATOM 2 CA GLY A 1 -10.686 15.862 42.022 1.00 0.00 C ATOM 3 C GLY A 1 -11.501 15.405 40.828 1.00 0.00 C ATOM 4 O GLY A 1 -12.528 14.745 40.985 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.645 16.816 43.560 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.347 15.340 43.101 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.903 15.352 43.994 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.319 16.873 41.842 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.812 15.220 42.128 1.00 0.00 H new ATOM 8 N SER A 2 -11.044 15.758 39.631 1.00 0.00 N ATOM 9 CA SER A 2 -11.740 15.384 38.406 1.00 0.00 C ATOM 10 C SER A 2 -10.941 15.804 37.176 1.00 0.00 C ATOM 11 O SER A 2 -10.256 16.827 37.187 1.00 0.00 O ATOM 12 CB SER A 2 -13.129 16.024 38.368 1.00 0.00 C ATOM 13 OG SER A 2 -13.056 17.377 37.954 1.00 0.00 O ATOM 0 H SER A 2 -10.194 16.303 39.484 1.00 0.00 H new ATOM 0 HA SER A 2 -11.846 14.299 38.395 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.771 15.466 37.687 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.586 15.967 39.356 1.00 0.00 H new ATOM 0 HG SER A 2 -13.957 17.763 37.936 1.00 0.00 H new ATOM 19 N SER A 3 -11.033 15.006 36.117 1.00 0.00 N ATOM 20 CA SER A 3 -10.316 15.292 34.880 1.00 0.00 C ATOM 21 C SER A 3 -10.798 14.386 33.751 1.00 0.00 C ATOM 22 O SER A 3 -11.357 13.317 33.993 1.00 0.00 O ATOM 23 CB SER A 3 -8.810 15.112 35.085 1.00 0.00 C ATOM 24 OG SER A 3 -8.118 15.162 33.850 1.00 0.00 O ATOM 0 H SER A 3 -11.597 14.156 36.091 1.00 0.00 H new ATOM 0 HA SER A 3 -10.517 16.327 34.604 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.434 15.892 35.748 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.618 14.157 35.575 1.00 0.00 H new ATOM 0 HG SER A 3 -7.158 15.046 34.008 1.00 0.00 H new ATOM 30 N GLY A 4 -10.578 14.824 32.515 1.00 0.00 N ATOM 31 CA GLY A 4 -10.996 14.042 31.366 1.00 0.00 C ATOM 32 C GLY A 4 -10.102 14.258 30.161 1.00 0.00 C ATOM 33 O GLY A 4 -9.357 15.236 30.100 1.00 0.00 O ATOM 0 H GLY A 4 -10.118 15.706 32.289 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.995 12.985 31.630 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.021 14.304 31.105 1.00 0.00 H new ATOM 37 N SER A 5 -10.175 13.343 29.200 1.00 0.00 N ATOM 38 CA SER A 5 -9.361 13.435 27.994 1.00 0.00 C ATOM 39 C SER A 5 -10.206 13.182 26.748 1.00 0.00 C ATOM 40 O SER A 5 -11.239 12.516 26.810 1.00 0.00 O ATOM 41 CB SER A 5 -8.208 12.432 28.053 1.00 0.00 C ATOM 42 OG SER A 5 -8.690 11.099 28.054 1.00 0.00 O ATOM 0 H SER A 5 -10.789 12.530 29.233 1.00 0.00 H new ATOM 0 HA SER A 5 -8.953 14.444 27.937 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.547 12.582 27.199 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.615 12.608 28.950 1.00 0.00 H new ATOM 0 HG SER A 5 -7.933 10.478 28.090 1.00 0.00 H new ATOM 48 N SER A 6 -9.758 13.720 25.618 1.00 0.00 N ATOM 49 CA SER A 6 -10.473 13.558 24.358 1.00 0.00 C ATOM 50 C SER A 6 -9.533 13.744 23.171 1.00 0.00 C ATOM 51 O SER A 6 -8.708 14.656 23.156 1.00 0.00 O ATOM 52 CB SER A 6 -11.628 14.558 24.270 1.00 0.00 C ATOM 53 OG SER A 6 -12.663 14.069 23.434 1.00 0.00 O ATOM 0 H SER A 6 -8.903 14.272 25.550 1.00 0.00 H new ATOM 0 HA SER A 6 -10.875 12.545 24.325 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.023 14.751 25.267 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.262 15.509 23.882 1.00 0.00 H new ATOM 0 HG SER A 6 -13.390 14.725 23.395 1.00 0.00 H new ATOM 59 N GLY A 7 -9.664 12.870 22.178 1.00 0.00 N ATOM 60 CA GLY A 7 -8.820 12.954 21.000 1.00 0.00 C ATOM 61 C GLY A 7 -8.177 11.626 20.652 1.00 0.00 C ATOM 62 O GLY A 7 -8.599 10.577 21.140 1.00 0.00 O ATOM 0 H GLY A 7 -10.339 12.105 22.168 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.415 13.299 20.154 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.042 13.699 21.167 1.00 0.00 H new ATOM 66 N ASP A 8 -7.155 11.670 19.804 1.00 0.00 N ATOM 67 CA ASP A 8 -6.453 10.460 19.390 1.00 0.00 C ATOM 68 C ASP A 8 -4.959 10.726 19.235 1.00 0.00 C ATOM 69 O ASP A 8 -4.546 11.836 18.900 1.00 0.00 O ATOM 70 CB ASP A 8 -7.030 9.936 18.074 1.00 0.00 C ATOM 71 CG ASP A 8 -8.504 9.598 18.182 1.00 0.00 C ATOM 72 OD1 ASP A 8 -8.886 8.912 19.153 1.00 0.00 O ATOM 73 OD2 ASP A 8 -9.275 10.019 17.295 1.00 0.00 O ATOM 0 H ASP A 8 -6.794 12.530 19.390 1.00 0.00 H new ATOM 0 HA ASP A 8 -6.591 9.705 20.164 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -6.888 10.685 17.295 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.478 9.048 17.767 1.00 0.00 H new ATOM 78 N LYS A 9 -4.152 9.699 19.482 1.00 0.00 N ATOM 79 CA LYS A 9 -2.703 9.820 19.370 1.00 0.00 C ATOM 80 C LYS A 9 -2.119 8.651 18.584 1.00 0.00 C ATOM 81 O LYS A 9 -2.710 7.572 18.526 1.00 0.00 O ATOM 82 CB LYS A 9 -2.067 9.882 20.761 1.00 0.00 C ATOM 83 CG LYS A 9 -2.367 8.668 21.622 1.00 0.00 C ATOM 84 CD LYS A 9 -1.639 8.735 22.954 1.00 0.00 C ATOM 85 CE LYS A 9 -2.381 9.613 23.950 1.00 0.00 C ATOM 86 NZ LYS A 9 -2.153 9.171 25.355 1.00 0.00 N ATOM 0 H LYS A 9 -4.477 8.773 19.761 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.480 10.743 18.834 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.987 9.982 20.653 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.421 10.777 21.273 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.441 8.601 21.796 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.073 7.763 21.091 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.532 7.730 23.362 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.633 9.126 22.801 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.055 10.647 23.837 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.448 9.590 23.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.675 9.794 26.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -2.487 8.193 25.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.137 9.217 25.573 1.00 0.00 H new ATOM 100 N LEU A 10 -0.956 8.871 17.982 1.00 0.00 N ATOM 101 CA LEU A 10 -0.290 7.835 17.201 1.00 0.00 C ATOM 102 C LEU A 10 1.219 7.870 17.422 1.00 0.00 C ATOM 103 O LEU A 10 1.732 8.737 18.130 1.00 0.00 O ATOM 104 CB LEU A 10 -0.603 8.010 15.714 1.00 0.00 C ATOM 105 CG LEU A 10 -2.037 8.416 15.373 1.00 0.00 C ATOM 106 CD1 LEU A 10 -2.083 9.141 14.037 1.00 0.00 C ATOM 107 CD2 LEU A 10 -2.946 7.196 15.350 1.00 0.00 C ATOM 0 H LEU A 10 -0.454 9.758 18.020 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.664 6.867 17.534 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.073 8.762 15.307 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.381 7.073 15.204 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.395 9.097 16.146 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.112 9.422 13.811 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.465 10.037 14.088 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.706 8.484 13.253 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.963 7.504 15.106 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.590 6.491 14.599 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.938 6.717 16.329 1.00 0.00 H new ATOM 119 N TYR A 11 1.923 6.924 16.811 1.00 0.00 N ATOM 120 CA TYR A 11 3.373 6.847 16.942 1.00 0.00 C ATOM 121 C TYR A 11 4.055 7.095 15.600 1.00 0.00 C ATOM 122 O TYR A 11 3.896 6.337 14.644 1.00 0.00 O ATOM 123 CB TYR A 11 3.785 5.479 17.490 1.00 0.00 C ATOM 124 CG TYR A 11 3.167 5.154 18.832 1.00 0.00 C ATOM 125 CD1 TYR A 11 1.790 5.044 18.977 1.00 0.00 C ATOM 126 CD2 TYR A 11 3.962 4.955 19.954 1.00 0.00 C ATOM 127 CE1 TYR A 11 1.222 4.748 20.200 1.00 0.00 C ATOM 128 CE2 TYR A 11 3.403 4.657 21.182 1.00 0.00 C ATOM 129 CZ TYR A 11 2.032 4.555 21.300 1.00 0.00 C ATOM 130 OH TYR A 11 1.470 4.258 22.520 1.00 0.00 O ATOM 0 H TYR A 11 1.513 6.200 16.220 1.00 0.00 H new ATOM 0 HA TYR A 11 3.691 7.622 17.640 1.00 0.00 H new ATOM 0 HB2 TYR A 11 3.501 4.709 16.773 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.871 5.445 17.581 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.153 5.193 18.118 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.035 5.035 19.865 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.149 4.668 20.295 1.00 0.00 H new ATOM 0 HE2 TYR A 11 4.035 4.505 22.044 1.00 0.00 H new ATOM 0 HH TYR A 11 2.178 4.152 23.189 1.00 0.00 H new ATOM 140 N PRO A 12 4.836 8.184 15.527 1.00 0.00 N ATOM 141 CA PRO A 12 5.559 8.558 14.309 1.00 0.00 C ATOM 142 C PRO A 12 6.702 7.598 13.994 1.00 0.00 C ATOM 143 O PRO A 12 7.601 7.399 14.811 1.00 0.00 O ATOM 144 CB PRO A 12 6.105 9.951 14.634 1.00 0.00 C ATOM 145 CG PRO A 12 6.205 9.981 16.120 1.00 0.00 C ATOM 146 CD PRO A 12 5.072 9.132 16.628 1.00 0.00 C ATOM 0 HA PRO A 12 4.916 8.531 13.429 1.00 0.00 H new ATOM 0 HB2 PRO A 12 7.077 10.114 14.168 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.440 10.733 14.266 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.166 9.590 16.455 1.00 0.00 H new ATOM 0 HG3 PRO A 12 6.127 11.001 16.496 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.338 8.617 17.551 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.186 9.730 16.840 1.00 0.00 H new ATOM 154 N CYS A 13 6.660 7.006 12.806 1.00 0.00 N ATOM 155 CA CYS A 13 7.692 6.066 12.383 1.00 0.00 C ATOM 156 C CYS A 13 8.796 6.782 11.611 1.00 0.00 C ATOM 157 O CYS A 13 8.589 7.873 11.080 1.00 0.00 O ATOM 158 CB CYS A 13 7.082 4.963 11.517 1.00 0.00 C ATOM 159 SG CYS A 13 8.187 3.542 11.234 1.00 0.00 S ATOM 0 H CYS A 13 5.923 7.160 12.118 1.00 0.00 H new ATOM 0 HA CYS A 13 8.129 5.618 13.276 1.00 0.00 H new ATOM 0 HB2 CYS A 13 6.166 4.609 11.991 1.00 0.00 H new ATOM 0 HB3 CYS A 13 6.799 5.387 10.554 1.00 0.00 H new ATOM 164 N GLN A 14 9.970 6.160 11.554 1.00 0.00 N ATOM 165 CA GLN A 14 11.107 6.738 10.847 1.00 0.00 C ATOM 166 C GLN A 14 10.747 7.046 9.397 1.00 0.00 C ATOM 167 O GLN A 14 11.056 8.123 8.885 1.00 0.00 O ATOM 168 CB GLN A 14 12.303 5.786 10.897 1.00 0.00 C ATOM 169 CG GLN A 14 13.455 6.209 10.001 1.00 0.00 C ATOM 170 CD GLN A 14 14.312 5.039 9.560 1.00 0.00 C ATOM 171 OE1 GLN A 14 14.540 4.836 8.367 1.00 0.00 O ATOM 172 NE2 GLN A 14 14.793 4.261 10.523 1.00 0.00 N ATOM 0 H GLN A 14 10.158 5.257 11.989 1.00 0.00 H new ATOM 0 HA GLN A 14 11.374 7.672 11.342 1.00 0.00 H new ATOM 0 HB2 GLN A 14 12.659 5.717 11.925 1.00 0.00 H new ATOM 0 HB3 GLN A 14 11.975 4.788 10.606 1.00 0.00 H new ATOM 0 HG2 GLN A 14 13.059 6.716 9.121 1.00 0.00 H new ATOM 0 HG3 GLN A 14 14.077 6.930 10.531 1.00 0.00 H new ATOM 0 HE21 GLN A 14 14.579 4.466 11.499 1.00 0.00 H new ATOM 0 HE22 GLN A 14 15.376 3.458 10.287 1.00 0.00 H new ATOM 181 N CYS A 15 10.093 6.095 8.740 1.00 0.00 N ATOM 182 CA CYS A 15 9.691 6.263 7.349 1.00 0.00 C ATOM 183 C CYS A 15 8.709 7.422 7.203 1.00 0.00 C ATOM 184 O CYS A 15 8.673 8.093 6.172 1.00 0.00 O ATOM 185 CB CYS A 15 9.060 4.975 6.819 1.00 0.00 C ATOM 186 SG CYS A 15 7.536 4.482 7.686 1.00 0.00 S ATOM 0 H CYS A 15 9.830 5.199 9.149 1.00 0.00 H new ATOM 0 HA CYS A 15 10.582 6.489 6.764 1.00 0.00 H new ATOM 0 HB2 CYS A 15 8.838 5.101 5.759 1.00 0.00 H new ATOM 0 HB3 CYS A 15 9.788 4.167 6.898 1.00 0.00 H new ATOM 191 N GLY A 16 7.912 7.650 8.242 1.00 0.00 N ATOM 192 CA GLY A 16 6.940 8.727 8.210 1.00 0.00 C ATOM 193 C GLY A 16 5.551 8.267 8.607 1.00 0.00 C ATOM 194 O GLY A 16 4.733 9.063 9.067 1.00 0.00 O ATOM 0 H GLY A 16 7.922 7.108 9.106 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.262 9.523 8.882 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.906 9.152 7.207 1.00 0.00 H new ATOM 198 N LYS A 17 5.283 6.978 8.426 1.00 0.00 N ATOM 199 CA LYS A 17 3.983 6.412 8.767 1.00 0.00 C ATOM 200 C LYS A 17 3.718 6.524 10.265 1.00 0.00 C ATOM 201 O LYS A 17 4.641 6.711 11.057 1.00 0.00 O ATOM 202 CB LYS A 17 3.913 4.946 8.334 1.00 0.00 C ATOM 203 CG LYS A 17 4.132 4.741 6.845 1.00 0.00 C ATOM 204 CD LYS A 17 4.149 3.265 6.482 1.00 0.00 C ATOM 205 CE LYS A 17 2.746 2.737 6.230 1.00 0.00 C ATOM 206 NZ LYS A 17 1.995 2.528 7.499 1.00 0.00 N ATOM 0 H LYS A 17 5.949 6.306 8.045 1.00 0.00 H new ATOM 0 HA LYS A 17 3.217 6.978 8.237 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.662 4.377 8.885 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.939 4.541 8.609 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.342 5.245 6.287 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.075 5.201 6.548 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.761 3.115 5.592 1.00 0.00 H new ATOM 0 HD3 LYS A 17 4.614 2.696 7.288 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.202 3.439 5.598 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.805 1.796 5.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.365 1.707 7.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.666 2.357 8.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.429 3.374 7.711 1.00 0.00 H new ATOM 220 N SER A 18 2.450 6.406 10.647 1.00 0.00 N ATOM 221 CA SER A 18 2.063 6.496 12.050 1.00 0.00 C ATOM 222 C SER A 18 1.088 5.381 12.417 1.00 0.00 C ATOM 223 O SER A 18 0.069 5.187 11.754 1.00 0.00 O ATOM 224 CB SER A 18 1.429 7.858 12.340 1.00 0.00 C ATOM 225 OG SER A 18 2.374 8.903 12.184 1.00 0.00 O ATOM 0 H SER A 18 1.674 6.248 10.005 1.00 0.00 H new ATOM 0 HA SER A 18 2.962 6.385 12.657 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.587 8.021 11.668 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.033 7.870 13.355 1.00 0.00 H new ATOM 0 HG SER A 18 1.945 9.763 12.373 1.00 0.00 H new ATOM 231 N PHE A 19 1.409 4.650 13.480 1.00 0.00 N ATOM 232 CA PHE A 19 0.563 3.553 13.936 1.00 0.00 C ATOM 233 C PHE A 19 -0.143 3.917 15.238 1.00 0.00 C ATOM 234 O PHE A 19 0.284 4.818 15.960 1.00 0.00 O ATOM 235 CB PHE A 19 1.398 2.285 14.132 1.00 0.00 C ATOM 236 CG PHE A 19 2.238 1.929 12.939 1.00 0.00 C ATOM 237 CD1 PHE A 19 3.411 2.616 12.671 1.00 0.00 C ATOM 238 CD2 PHE A 19 1.854 0.908 12.085 1.00 0.00 C ATOM 239 CE1 PHE A 19 4.185 2.291 11.574 1.00 0.00 C ATOM 240 CE2 PHE A 19 2.624 0.578 10.986 1.00 0.00 C ATOM 241 CZ PHE A 19 3.792 1.270 10.730 1.00 0.00 C ATOM 0 H PHE A 19 2.248 4.797 14.041 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.193 3.368 13.173 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.048 2.418 14.997 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.732 1.453 14.359 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.724 3.415 13.327 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.942 0.363 12.280 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.097 2.835 11.376 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.313 -0.220 10.328 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.396 1.014 9.872 1.00 0.00 H new ATOM 251 N THR A 20 -1.229 3.208 15.533 1.00 0.00 N ATOM 252 CA THR A 20 -1.998 3.456 16.747 1.00 0.00 C ATOM 253 C THR A 20 -1.378 2.745 17.944 1.00 0.00 C ATOM 254 O THR A 20 -1.597 3.135 19.092 1.00 0.00 O ATOM 255 CB THR A 20 -3.459 2.996 16.590 1.00 0.00 C ATOM 256 OG1 THR A 20 -4.069 3.671 15.484 1.00 0.00 O ATOM 257 CG2 THR A 20 -4.252 3.272 17.859 1.00 0.00 C ATOM 0 H THR A 20 -1.596 2.457 14.948 1.00 0.00 H new ATOM 0 HA THR A 20 -1.981 4.532 16.918 1.00 0.00 H new ATOM 0 HB THR A 20 -3.461 1.922 16.405 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.997 3.372 15.390 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.281 2.939 17.725 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.802 2.734 18.693 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.241 4.341 18.069 1.00 0.00 H new ATOM 265 N HIS A 21 -0.604 1.700 17.671 1.00 0.00 N ATOM 266 CA HIS A 21 0.049 0.935 18.728 1.00 0.00 C ATOM 267 C HIS A 21 1.566 1.065 18.634 1.00 0.00 C ATOM 268 O HIS A 21 2.131 1.100 17.541 1.00 0.00 O ATOM 269 CB HIS A 21 -0.355 -0.537 18.644 1.00 0.00 C ATOM 270 CG HIS A 21 -1.642 -0.846 19.345 1.00 0.00 C ATOM 271 ND1 HIS A 21 -1.924 -0.415 20.624 1.00 0.00 N ATOM 272 CD2 HIS A 21 -2.726 -1.547 18.938 1.00 0.00 C ATOM 273 CE1 HIS A 21 -3.125 -0.838 20.974 1.00 0.00 C ATOM 274 NE2 HIS A 21 -3.634 -1.528 19.969 1.00 0.00 N ATOM 0 H HIS A 21 -0.413 1.363 16.727 1.00 0.00 H new ATOM 0 HA HIS A 21 -0.274 1.338 19.688 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -0.445 -0.821 17.596 1.00 0.00 H new ATOM 0 HB3 HIS A 21 0.439 -1.148 19.073 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -2.853 -2.031 17.981 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -3.609 -0.651 21.921 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -4.551 -1.974 19.960 1.00 0.00 H new ATOM 282 N LYS A 22 2.221 1.136 19.788 1.00 0.00 N ATOM 283 CA LYS A 22 3.673 1.261 19.838 1.00 0.00 C ATOM 284 C LYS A 22 4.345 0.077 19.150 1.00 0.00 C ATOM 285 O LYS A 22 5.373 0.232 18.491 1.00 0.00 O ATOM 286 CB LYS A 22 4.147 1.358 21.290 1.00 0.00 C ATOM 287 CG LYS A 22 5.657 1.282 21.443 1.00 0.00 C ATOM 288 CD LYS A 22 6.289 2.664 21.419 1.00 0.00 C ATOM 289 CE LYS A 22 6.410 3.245 22.819 1.00 0.00 C ATOM 290 NZ LYS A 22 7.140 4.543 22.820 1.00 0.00 N ATOM 0 H LYS A 22 1.769 1.109 20.702 1.00 0.00 H new ATOM 0 HA LYS A 22 3.953 2.172 19.309 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.794 2.297 21.717 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.691 0.554 21.867 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.904 0.784 22.380 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.075 0.675 20.640 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.277 2.606 20.961 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.689 3.329 20.798 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.415 3.388 23.240 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.930 2.536 23.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.201 4.906 23.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.099 4.402 22.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.631 5.228 22.226 1.00 0.00 H new ATOM 304 N SER A 23 3.757 -1.105 19.308 1.00 0.00 N ATOM 305 CA SER A 23 4.301 -2.315 18.703 1.00 0.00 C ATOM 306 C SER A 23 4.262 -2.227 17.181 1.00 0.00 C ATOM 307 O SER A 23 5.280 -2.408 16.512 1.00 0.00 O ATOM 308 CB SER A 23 3.518 -3.542 19.175 1.00 0.00 C ATOM 309 OG SER A 23 3.942 -3.955 20.462 1.00 0.00 O ATOM 0 H SER A 23 2.905 -1.250 19.849 1.00 0.00 H new ATOM 0 HA SER A 23 5.340 -2.413 19.017 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.453 -3.311 19.197 1.00 0.00 H new ATOM 0 HB3 SER A 23 3.653 -4.358 18.465 1.00 0.00 H new ATOM 0 HG SER A 23 3.425 -4.739 20.741 1.00 0.00 H new ATOM 315 N GLN A 24 3.080 -1.949 16.640 1.00 0.00 N ATOM 316 CA GLN A 24 2.908 -1.837 15.197 1.00 0.00 C ATOM 317 C GLN A 24 3.945 -0.894 14.596 1.00 0.00 C ATOM 318 O GLN A 24 4.370 -1.069 13.454 1.00 0.00 O ATOM 319 CB GLN A 24 1.499 -1.342 14.867 1.00 0.00 C ATOM 320 CG GLN A 24 0.439 -2.429 14.943 1.00 0.00 C ATOM 321 CD GLN A 24 -0.796 -2.098 14.128 1.00 0.00 C ATOM 322 OE1 GLN A 24 -1.010 -2.653 13.050 1.00 0.00 O ATOM 323 NE2 GLN A 24 -1.618 -1.189 14.640 1.00 0.00 N ATOM 0 H GLN A 24 2.228 -1.797 17.179 1.00 0.00 H new ATOM 0 HA GLN A 24 3.049 -2.827 14.762 1.00 0.00 H new ATOM 0 HB2 GLN A 24 1.234 -0.539 15.555 1.00 0.00 H new ATOM 0 HB3 GLN A 24 1.498 -0.915 13.864 1.00 0.00 H new ATOM 0 HG2 GLN A 24 0.862 -3.369 14.589 1.00 0.00 H new ATOM 0 HG3 GLN A 24 0.153 -2.580 15.984 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -1.402 -0.754 15.537 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -2.465 -0.926 14.136 1.00 0.00 H new ATOM 332 N ARG A 25 4.348 0.106 15.373 1.00 0.00 N ATOM 333 CA ARG A 25 5.334 1.079 14.916 1.00 0.00 C ATOM 334 C ARG A 25 6.745 0.507 15.011 1.00 0.00 C ATOM 335 O ARG A 25 7.593 0.776 14.160 1.00 0.00 O ATOM 336 CB ARG A 25 5.236 2.362 15.743 1.00 0.00 C ATOM 337 CG ARG A 25 6.314 3.382 15.414 1.00 0.00 C ATOM 338 CD ARG A 25 7.545 3.193 16.285 1.00 0.00 C ATOM 339 NE ARG A 25 7.387 3.812 17.598 1.00 0.00 N ATOM 340 CZ ARG A 25 7.555 5.111 17.823 1.00 0.00 C ATOM 341 NH1 ARG A 25 7.884 5.922 16.828 1.00 0.00 N ATOM 342 NH2 ARG A 25 7.393 5.600 19.046 1.00 0.00 N ATOM 0 H ARG A 25 4.007 0.264 16.321 1.00 0.00 H new ATOM 0 HA ARG A 25 5.123 1.311 13.872 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.258 2.815 15.581 1.00 0.00 H new ATOM 0 HB3 ARG A 25 5.299 2.108 16.801 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.593 3.292 14.364 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.919 4.388 15.554 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.742 2.128 16.408 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.413 3.622 15.784 1.00 0.00 H new ATOM 0 HE ARG A 25 7.134 3.215 18.385 1.00 0.00 H new ATOM 0 HH11 ARG A 25 8.009 5.550 15.887 1.00 0.00 H new ATOM 0 HH12 ARG A 25 8.012 6.919 17.003 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.139 4.979 19.814 1.00 0.00 H new ATOM 0 HH22 ARG A 25 7.522 6.597 19.218 1.00 0.00 H new ATOM 356 N ASP A 26 6.990 -0.283 16.051 1.00 0.00 N ATOM 357 CA ASP A 26 8.298 -0.893 16.257 1.00 0.00 C ATOM 358 C ASP A 26 8.625 -1.869 15.131 1.00 0.00 C ATOM 359 O ASP A 26 9.667 -1.760 14.484 1.00 0.00 O ATOM 360 CB ASP A 26 8.341 -1.616 17.604 1.00 0.00 C ATOM 361 CG ASP A 26 7.998 -3.088 17.483 1.00 0.00 C ATOM 362 OD1 ASP A 26 8.809 -3.840 16.904 1.00 0.00 O ATOM 363 OD2 ASP A 26 6.918 -3.487 17.967 1.00 0.00 O ATOM 0 H ASP A 26 6.299 -0.516 16.765 1.00 0.00 H new ATOM 0 HA ASP A 26 9.046 -0.100 16.255 1.00 0.00 H new ATOM 0 HB2 ASP A 26 9.336 -1.512 18.037 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.643 -1.139 18.292 1.00 0.00 H new ATOM 368 N ARG A 27 7.729 -2.824 14.904 1.00 0.00 N ATOM 369 CA ARG A 27 7.924 -3.821 13.858 1.00 0.00 C ATOM 370 C ARG A 27 8.259 -3.155 12.527 1.00 0.00 C ATOM 371 O ARG A 27 8.983 -3.716 11.705 1.00 0.00 O ATOM 372 CB ARG A 27 6.670 -4.685 13.708 1.00 0.00 C ATOM 373 CG ARG A 27 5.455 -3.914 13.218 1.00 0.00 C ATOM 374 CD ARG A 27 4.329 -4.851 12.810 1.00 0.00 C ATOM 375 NE ARG A 27 4.650 -5.597 11.597 1.00 0.00 N ATOM 376 CZ ARG A 27 3.732 -6.127 10.795 1.00 0.00 C ATOM 377 NH1 ARG A 27 2.444 -5.992 11.077 1.00 0.00 N ATOM 378 NH2 ARG A 27 4.103 -6.792 9.709 1.00 0.00 N ATOM 0 H ARG A 27 6.861 -2.928 15.430 1.00 0.00 H new ATOM 0 HA ARG A 27 8.762 -4.456 14.147 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.880 -5.497 13.012 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.436 -5.142 14.670 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.106 -3.245 14.004 1.00 0.00 H new ATOM 0 HG3 ARG A 27 5.736 -3.290 12.370 1.00 0.00 H new ATOM 0 HD2 ARG A 27 4.126 -5.549 13.622 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.418 -4.275 12.651 1.00 0.00 H new ATOM 0 HE ARG A 27 5.633 -5.718 11.351 1.00 0.00 H new ATOM 0 HH11 ARG A 27 2.155 -5.480 11.911 1.00 0.00 H new ATOM 0 HH12 ARG A 27 1.741 -6.400 10.460 1.00 0.00 H new ATOM 0 HH21 ARG A 27 5.093 -6.897 9.489 1.00 0.00 H new ATOM 0 HH22 ARG A 27 3.398 -7.198 9.094 1.00 0.00 H new ATOM 392 N HIS A 28 7.725 -1.955 12.322 1.00 0.00 N ATOM 393 CA HIS A 28 7.967 -1.211 11.090 1.00 0.00 C ATOM 394 C HIS A 28 9.305 -0.480 11.151 1.00 0.00 C ATOM 395 O HIS A 28 9.863 -0.101 10.122 1.00 0.00 O ATOM 396 CB HIS A 28 6.837 -0.212 10.843 1.00 0.00 C ATOM 397 CG HIS A 28 6.586 0.061 9.392 1.00 0.00 C ATOM 398 ND1 HIS A 28 7.057 1.184 8.744 1.00 0.00 N ATOM 399 CD2 HIS A 28 5.910 -0.652 8.461 1.00 0.00 C ATOM 400 CE1 HIS A 28 6.680 1.150 7.479 1.00 0.00 C ATOM 401 NE2 HIS A 28 5.983 0.046 7.281 1.00 0.00 N ATOM 0 H HIS A 28 7.122 -1.477 12.992 1.00 0.00 H new ATOM 0 HA HIS A 28 7.999 -1.922 10.265 1.00 0.00 H new ATOM 0 HB2 HIS A 28 5.922 -0.592 11.296 1.00 0.00 H new ATOM 0 HB3 HIS A 28 7.076 0.726 11.345 1.00 0.00 H new ATOM 0 HD2 HIS A 28 5.407 -1.595 8.617 1.00 0.00 H new ATOM 0 HE1 HIS A 28 6.904 1.898 6.733 1.00 0.00 H new ATOM 0 HE2 HIS A 28 5.567 -0.241 6.395 1.00 0.00 H new ATOM 409 N MET A 29 9.813 -0.286 12.364 1.00 0.00 N ATOM 410 CA MET A 29 11.086 0.400 12.558 1.00 0.00 C ATOM 411 C MET A 29 12.251 -0.581 12.468 1.00 0.00 C ATOM 412 O MET A 29 13.324 -0.241 11.969 1.00 0.00 O ATOM 413 CB MET A 29 11.105 1.110 13.912 1.00 0.00 C ATOM 414 CG MET A 29 10.619 2.549 13.851 1.00 0.00 C ATOM 415 SD MET A 29 11.919 3.702 13.369 1.00 0.00 S ATOM 416 CE MET A 29 13.166 3.342 14.605 1.00 0.00 C ATOM 0 H MET A 29 9.363 -0.594 13.226 1.00 0.00 H new ATOM 0 HA MET A 29 11.196 1.141 11.766 1.00 0.00 H new ATOM 0 HB2 MET A 29 10.482 0.554 14.613 1.00 0.00 H new ATOM 0 HB3 MET A 29 12.121 1.095 14.307 1.00 0.00 H new ATOM 0 HG2 MET A 29 9.794 2.620 13.142 1.00 0.00 H new ATOM 0 HG3 MET A 29 10.226 2.837 14.826 1.00 0.00 H new ATOM 0 HE1 MET A 29 13.739 4.245 14.817 1.00 0.00 H new ATOM 0 HE2 MET A 29 12.683 2.995 15.519 1.00 0.00 H new ATOM 0 HE3 MET A 29 13.835 2.567 14.232 1.00 0.00 H new ATOM 426 N SER A 30 12.032 -1.799 12.953 1.00 0.00 N ATOM 427 CA SER A 30 13.065 -2.827 12.931 1.00 0.00 C ATOM 428 C SER A 30 13.320 -3.311 11.507 1.00 0.00 C ATOM 429 O SER A 30 14.431 -3.718 11.168 1.00 0.00 O ATOM 430 CB SER A 30 12.660 -4.007 13.817 1.00 0.00 C ATOM 431 OG SER A 30 11.412 -4.543 13.413 1.00 0.00 O ATOM 0 H SER A 30 11.148 -2.098 13.366 1.00 0.00 H new ATOM 0 HA SER A 30 13.985 -2.390 13.318 1.00 0.00 H new ATOM 0 HB2 SER A 30 13.425 -4.782 13.768 1.00 0.00 H new ATOM 0 HB3 SER A 30 12.601 -3.682 14.856 1.00 0.00 H new ATOM 0 HG SER A 30 11.176 -5.296 13.994 1.00 0.00 H new ATOM 437 N MET A 31 12.283 -3.262 10.678 1.00 0.00 N ATOM 438 CA MET A 31 12.394 -3.694 9.289 1.00 0.00 C ATOM 439 C MET A 31 13.214 -2.699 8.474 1.00 0.00 C ATOM 440 O MET A 31 13.909 -3.077 7.530 1.00 0.00 O ATOM 441 CB MET A 31 11.005 -3.855 8.670 1.00 0.00 C ATOM 442 CG MET A 31 10.356 -2.536 8.281 1.00 0.00 C ATOM 443 SD MET A 31 9.038 -2.742 7.068 1.00 0.00 S ATOM 444 CE MET A 31 8.916 -1.078 6.416 1.00 0.00 C ATOM 0 H MET A 31 11.357 -2.928 10.943 1.00 0.00 H new ATOM 0 HA MET A 31 12.904 -4.657 9.274 1.00 0.00 H new ATOM 0 HB2 MET A 31 11.081 -4.488 7.786 1.00 0.00 H new ATOM 0 HB3 MET A 31 10.359 -4.374 9.378 1.00 0.00 H new ATOM 0 HG2 MET A 31 9.952 -2.057 9.173 1.00 0.00 H new ATOM 0 HG3 MET A 31 11.116 -1.867 7.876 1.00 0.00 H new ATOM 0 HE1 MET A 31 7.993 -0.978 5.844 1.00 0.00 H new ATOM 0 HE2 MET A 31 8.912 -0.364 7.240 1.00 0.00 H new ATOM 0 HE3 MET A 31 9.769 -0.878 5.767 1.00 0.00 H new ATOM 454 N HIS A 32 13.130 -1.425 8.845 1.00 0.00 N ATOM 455 CA HIS A 32 13.865 -0.376 8.148 1.00 0.00 C ATOM 456 C HIS A 32 15.360 -0.680 8.130 1.00 0.00 C ATOM 457 O HIS A 32 16.011 -0.586 7.089 1.00 0.00 O ATOM 458 CB HIS A 32 13.616 0.978 8.813 1.00 0.00 C ATOM 459 CG HIS A 32 12.250 1.534 8.547 1.00 0.00 C ATOM 460 ND1 HIS A 32 11.564 1.315 7.371 1.00 0.00 N ATOM 461 CD2 HIS A 32 11.442 2.302 9.315 1.00 0.00 C ATOM 462 CE1 HIS A 32 10.394 1.926 7.426 1.00 0.00 C ATOM 463 NE2 HIS A 32 10.295 2.532 8.596 1.00 0.00 N ATOM 0 H HIS A 32 12.560 -1.095 9.624 1.00 0.00 H new ATOM 0 HA HIS A 32 13.508 -0.338 7.119 1.00 0.00 H new ATOM 0 HB2 HIS A 32 13.754 0.876 9.889 1.00 0.00 H new ATOM 0 HB3 HIS A 32 14.364 1.689 8.462 1.00 0.00 H new ATOM 0 HD1 HIS A 32 11.906 0.767 6.582 1.00 0.00 H new ATOM 0 HD2 HIS A 32 11.659 2.666 10.308 1.00 0.00 H new ATOM 0 HE1 HIS A 32 9.646 1.930 6.647 1.00 0.00 H new ATOM 471 N LEU A 33 15.898 -1.043 9.289 1.00 0.00 N ATOM 472 CA LEU A 33 17.317 -1.360 9.407 1.00 0.00 C ATOM 473 C LEU A 33 17.750 -2.334 8.316 1.00 0.00 C ATOM 474 O LEU A 33 16.931 -2.802 7.526 1.00 0.00 O ATOM 475 CB LEU A 33 17.614 -1.956 10.785 1.00 0.00 C ATOM 476 CG LEU A 33 17.158 -1.127 11.986 1.00 0.00 C ATOM 477 CD1 LEU A 33 17.030 -2.005 13.222 1.00 0.00 C ATOM 478 CD2 LEU A 33 18.125 0.019 12.242 1.00 0.00 C ATOM 0 H LEU A 33 15.374 -1.125 10.160 1.00 0.00 H new ATOM 0 HA LEU A 33 17.881 -0.435 9.288 1.00 0.00 H new ATOM 0 HB2 LEU A 33 17.141 -2.936 10.845 1.00 0.00 H new ATOM 0 HB3 LEU A 33 18.689 -2.115 10.866 1.00 0.00 H new ATOM 0 HG LEU A 33 16.178 -0.705 11.761 1.00 0.00 H new ATOM 0 HD11 LEU A 33 16.705 -1.398 14.067 1.00 0.00 H new ATOM 0 HD12 LEU A 33 16.298 -2.791 13.036 1.00 0.00 H new ATOM 0 HD13 LEU A 33 17.996 -2.456 13.450 1.00 0.00 H new ATOM 0 HD21 LEU A 33 17.784 0.598 13.100 1.00 0.00 H new ATOM 0 HD22 LEU A 33 19.118 -0.382 12.446 1.00 0.00 H new ATOM 0 HD23 LEU A 33 18.167 0.663 11.364 1.00 0.00 H new ATOM 490 N GLY A 34 19.045 -2.637 8.280 1.00 0.00 N ATOM 491 CA GLY A 34 19.564 -3.555 7.283 1.00 0.00 C ATOM 492 C GLY A 34 18.615 -4.704 7.003 1.00 0.00 C ATOM 493 O GLY A 34 17.766 -5.034 7.832 1.00 0.00 O ATOM 0 H GLY A 34 19.743 -2.263 8.923 1.00 0.00 H new ATOM 0 HA2 GLY A 34 19.755 -3.012 6.358 1.00 0.00 H new ATOM 0 HA3 GLY A 34 20.521 -3.952 7.622 1.00 0.00 H new ATOM 497 N LEU A 35 18.758 -5.315 5.832 1.00 0.00 N ATOM 498 CA LEU A 35 17.906 -6.433 5.444 1.00 0.00 C ATOM 499 C LEU A 35 18.427 -7.743 6.026 1.00 0.00 C ATOM 500 O LEU A 35 19.388 -7.753 6.796 1.00 0.00 O ATOM 501 CB LEU A 35 17.828 -6.535 3.919 1.00 0.00 C ATOM 502 CG LEU A 35 16.753 -5.682 3.244 1.00 0.00 C ATOM 503 CD1 LEU A 35 17.110 -4.207 3.331 1.00 0.00 C ATOM 504 CD2 LEU A 35 16.572 -6.104 1.793 1.00 0.00 C ATOM 0 H LEU A 35 19.456 -5.055 5.135 1.00 0.00 H new ATOM 0 HA LEU A 35 16.908 -6.252 5.842 1.00 0.00 H new ATOM 0 HB2 LEU A 35 18.797 -6.256 3.506 1.00 0.00 H new ATOM 0 HB3 LEU A 35 17.656 -7.578 3.653 1.00 0.00 H new ATOM 0 HG LEU A 35 15.810 -5.838 3.768 1.00 0.00 H new ATOM 0 HD11 LEU A 35 16.334 -3.616 2.845 1.00 0.00 H new ATOM 0 HD12 LEU A 35 17.189 -3.913 4.378 1.00 0.00 H new ATOM 0 HD13 LEU A 35 18.064 -4.033 2.832 1.00 0.00 H new ATOM 0 HD21 LEU A 35 15.803 -5.487 1.328 1.00 0.00 H new ATOM 0 HD22 LEU A 35 17.513 -5.977 1.257 1.00 0.00 H new ATOM 0 HD23 LEU A 35 16.270 -7.151 1.753 1.00 0.00 H new ATOM 516 N ARG A 36 17.788 -8.847 5.653 1.00 0.00 N ATOM 517 CA ARG A 36 18.187 -10.162 6.137 1.00 0.00 C ATOM 518 C ARG A 36 18.753 -11.011 5.003 1.00 0.00 C ATOM 519 O ARG A 36 18.244 -11.012 3.882 1.00 0.00 O ATOM 520 CB ARG A 36 16.996 -10.877 6.778 1.00 0.00 C ATOM 521 CG ARG A 36 16.539 -10.249 8.084 1.00 0.00 C ATOM 522 CD ARG A 36 15.947 -8.866 7.861 1.00 0.00 C ATOM 523 NE ARG A 36 15.133 -8.430 8.992 1.00 0.00 N ATOM 524 CZ ARG A 36 13.893 -8.853 9.212 1.00 0.00 C ATOM 525 NH1 ARG A 36 13.328 -9.719 8.382 1.00 0.00 N ATOM 526 NH2 ARG A 36 13.216 -8.410 10.263 1.00 0.00 N ATOM 0 H ARG A 36 16.991 -8.856 5.016 1.00 0.00 H new ATOM 0 HA ARG A 36 18.965 -10.023 6.887 1.00 0.00 H new ATOM 0 HB2 ARG A 36 16.163 -10.879 6.075 1.00 0.00 H new ATOM 0 HB3 ARG A 36 17.263 -11.918 6.959 1.00 0.00 H new ATOM 0 HG2 ARG A 36 15.797 -10.891 8.558 1.00 0.00 H new ATOM 0 HG3 ARG A 36 17.383 -10.178 8.770 1.00 0.00 H new ATOM 0 HD2 ARG A 36 16.752 -8.150 7.696 1.00 0.00 H new ATOM 0 HD3 ARG A 36 15.337 -8.874 6.957 1.00 0.00 H new ATOM 0 HE ARG A 36 15.539 -7.764 9.649 1.00 0.00 H new ATOM 0 HH11 ARG A 36 13.846 -10.062 7.573 1.00 0.00 H new ATOM 0 HH12 ARG A 36 12.376 -10.042 8.553 1.00 0.00 H new ATOM 0 HH21 ARG A 36 13.647 -7.744 10.904 1.00 0.00 H new ATOM 0 HH22 ARG A 36 12.264 -8.736 10.431 1.00 0.00 H new ATOM 540 N PRO A 37 19.833 -11.750 5.298 1.00 0.00 N ATOM 541 CA PRO A 37 20.491 -12.617 4.316 1.00 0.00 C ATOM 542 C PRO A 37 19.641 -13.828 3.949 1.00 0.00 C ATOM 543 O PRO A 37 19.874 -14.476 2.928 1.00 0.00 O ATOM 544 CB PRO A 37 21.769 -13.058 5.033 1.00 0.00 C ATOM 545 CG PRO A 37 21.445 -12.955 6.483 1.00 0.00 C ATOM 546 CD PRO A 37 20.493 -11.798 6.613 1.00 0.00 C ATOM 0 HA PRO A 37 20.671 -12.101 3.373 1.00 0.00 H new ATOM 0 HB2 PRO A 37 22.044 -14.077 4.760 1.00 0.00 H new ATOM 0 HB3 PRO A 37 22.612 -12.419 4.769 1.00 0.00 H new ATOM 0 HG2 PRO A 37 20.991 -13.877 6.848 1.00 0.00 H new ATOM 0 HG3 PRO A 37 22.346 -12.787 7.073 1.00 0.00 H new ATOM 0 HD2 PRO A 37 19.775 -11.957 7.417 1.00 0.00 H new ATOM 0 HD3 PRO A 37 21.018 -10.868 6.833 1.00 0.00 H new ATOM 554 N TYR A 38 18.655 -14.128 4.787 1.00 0.00 N ATOM 555 CA TYR A 38 17.770 -15.263 4.551 1.00 0.00 C ATOM 556 C TYR A 38 16.456 -14.809 3.922 1.00 0.00 C ATOM 557 O TYR A 38 15.688 -14.066 4.531 1.00 0.00 O ATOM 558 CB TYR A 38 17.493 -16.001 5.862 1.00 0.00 C ATOM 559 CG TYR A 38 18.744 -16.486 6.560 1.00 0.00 C ATOM 560 CD1 TYR A 38 19.480 -15.636 7.377 1.00 0.00 C ATOM 561 CD2 TYR A 38 19.190 -17.792 6.402 1.00 0.00 C ATOM 562 CE1 TYR A 38 20.623 -16.074 8.017 1.00 0.00 C ATOM 563 CE2 TYR A 38 20.332 -18.239 7.039 1.00 0.00 C ATOM 564 CZ TYR A 38 21.045 -17.376 7.845 1.00 0.00 C ATOM 565 OH TYR A 38 22.183 -17.817 8.480 1.00 0.00 O ATOM 0 H TYR A 38 18.448 -13.601 5.636 1.00 0.00 H new ATOM 0 HA TYR A 38 18.268 -15.941 3.858 1.00 0.00 H new ATOM 0 HB2 TYR A 38 16.946 -15.339 6.533 1.00 0.00 H new ATOM 0 HB3 TYR A 38 16.846 -16.855 5.659 1.00 0.00 H new ATOM 0 HD1 TYR A 38 19.153 -14.616 7.514 1.00 0.00 H new ATOM 0 HD2 TYR A 38 18.635 -18.470 5.770 1.00 0.00 H new ATOM 0 HE1 TYR A 38 21.183 -15.401 8.649 1.00 0.00 H new ATOM 0 HE2 TYR A 38 20.664 -19.258 6.907 1.00 0.00 H new ATOM 0 HH TYR A 38 22.299 -17.328 9.321 1.00 0.00 H new ATOM 575 N GLY A 39 16.205 -15.264 2.698 1.00 0.00 N ATOM 576 CA GLY A 39 14.984 -14.895 2.006 1.00 0.00 C ATOM 577 C GLY A 39 14.263 -16.094 1.423 1.00 0.00 C ATOM 578 O GLY A 39 14.788 -16.775 0.542 1.00 0.00 O ATOM 0 H GLY A 39 16.825 -15.881 2.174 1.00 0.00 H new ATOM 0 HA2 GLY A 39 14.320 -14.377 2.698 1.00 0.00 H new ATOM 0 HA3 GLY A 39 15.221 -14.193 1.206 1.00 0.00 H new ATOM 582 N CYS A 40 13.058 -16.355 1.917 1.00 0.00 N ATOM 583 CA CYS A 40 12.264 -17.482 1.442 1.00 0.00 C ATOM 584 C CYS A 40 11.861 -17.287 -0.017 1.00 0.00 C ATOM 585 O CYS A 40 11.005 -16.461 -0.331 1.00 0.00 O ATOM 586 CB CYS A 40 11.014 -17.654 2.308 1.00 0.00 C ATOM 587 SG CYS A 40 9.824 -18.872 1.662 1.00 0.00 S ATOM 0 H CYS A 40 12.609 -15.801 2.647 1.00 0.00 H new ATOM 0 HA CYS A 40 12.876 -18.381 1.515 1.00 0.00 H new ATOM 0 HB2 CYS A 40 11.318 -17.955 3.310 1.00 0.00 H new ATOM 0 HB3 CYS A 40 10.515 -16.690 2.403 1.00 0.00 H new ATOM 592 N GLY A 41 12.486 -18.054 -0.905 1.00 0.00 N ATOM 593 CA GLY A 41 12.180 -17.951 -2.320 1.00 0.00 C ATOM 594 C GLY A 41 10.924 -18.710 -2.699 1.00 0.00 C ATOM 595 O GLY A 41 10.798 -19.196 -3.822 1.00 0.00 O ATOM 0 H GLY A 41 13.199 -18.745 -0.670 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.061 -16.901 -2.587 1.00 0.00 H new ATOM 0 HA3 GLY A 41 13.021 -18.334 -2.899 1.00 0.00 H new ATOM 599 N VAL A 42 9.991 -18.814 -1.757 1.00 0.00 N ATOM 600 CA VAL A 42 8.738 -19.520 -1.997 1.00 0.00 C ATOM 601 C VAL A 42 7.541 -18.597 -1.802 1.00 0.00 C ATOM 602 O VAL A 42 6.603 -18.601 -2.599 1.00 0.00 O ATOM 603 CB VAL A 42 8.592 -20.737 -1.064 1.00 0.00 C ATOM 604 CG1 VAL A 42 7.330 -21.518 -1.399 1.00 0.00 C ATOM 605 CG2 VAL A 42 9.821 -21.628 -1.156 1.00 0.00 C ATOM 0 H VAL A 42 10.080 -18.418 -0.821 1.00 0.00 H new ATOM 0 HA VAL A 42 8.762 -19.865 -3.031 1.00 0.00 H new ATOM 0 HB VAL A 42 8.507 -20.379 -0.038 1.00 0.00 H new ATOM 0 HG11 VAL A 42 7.243 -22.374 -0.730 1.00 0.00 H new ATOM 0 HG12 VAL A 42 6.460 -20.873 -1.277 1.00 0.00 H new ATOM 0 HG13 VAL A 42 7.381 -21.867 -2.430 1.00 0.00 H new ATOM 0 HG21 VAL A 42 9.701 -22.483 -0.491 1.00 0.00 H new ATOM 0 HG22 VAL A 42 9.940 -21.980 -2.181 1.00 0.00 H new ATOM 0 HG23 VAL A 42 10.704 -21.061 -0.863 1.00 0.00 H new ATOM 615 N CYS A 43 7.579 -17.805 -0.735 1.00 0.00 N ATOM 616 CA CYS A 43 6.497 -16.875 -0.433 1.00 0.00 C ATOM 617 C CYS A 43 6.989 -15.432 -0.492 1.00 0.00 C ATOM 618 O CYS A 43 6.279 -14.542 -0.960 1.00 0.00 O ATOM 619 CB CYS A 43 5.914 -17.171 0.950 1.00 0.00 C ATOM 620 SG CYS A 43 6.987 -16.667 2.333 1.00 0.00 S ATOM 0 H CYS A 43 8.348 -17.789 -0.065 1.00 0.00 H new ATOM 0 HA CYS A 43 5.718 -17.006 -1.184 1.00 0.00 H new ATOM 0 HB2 CYS A 43 4.955 -16.662 1.044 1.00 0.00 H new ATOM 0 HB3 CYS A 43 5.717 -18.240 1.028 1.00 0.00 H new ATOM 625 N GLY A 44 8.209 -15.208 -0.014 1.00 0.00 N ATOM 626 CA GLY A 44 8.775 -13.871 -0.022 1.00 0.00 C ATOM 627 C GLY A 44 9.063 -13.356 1.374 1.00 0.00 C ATOM 628 O GLY A 44 9.004 -12.151 1.624 1.00 0.00 O ATOM 0 H GLY A 44 8.816 -15.928 0.379 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.697 -13.874 -0.603 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.086 -13.191 -0.522 1.00 0.00 H new ATOM 632 N LYS A 45 9.373 -14.269 2.288 1.00 0.00 N ATOM 633 CA LYS A 45 9.670 -13.901 3.668 1.00 0.00 C ATOM 634 C LYS A 45 11.175 -13.773 3.884 1.00 0.00 C ATOM 635 O LYS A 45 11.961 -13.904 2.946 1.00 0.00 O ATOM 636 CB LYS A 45 9.093 -14.941 4.630 1.00 0.00 C ATOM 637 CG LYS A 45 7.674 -14.633 5.077 1.00 0.00 C ATOM 638 CD LYS A 45 7.372 -15.246 6.435 1.00 0.00 C ATOM 639 CE LYS A 45 7.797 -14.325 7.569 1.00 0.00 C ATOM 640 NZ LYS A 45 7.968 -15.066 8.849 1.00 0.00 N ATOM 0 H LYS A 45 9.425 -15.270 2.098 1.00 0.00 H new ATOM 0 HA LYS A 45 9.208 -12.934 3.868 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.109 -15.918 4.148 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.735 -15.008 5.508 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.533 -13.553 5.125 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.968 -15.015 4.339 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.305 -15.452 6.513 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.889 -16.201 6.527 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.733 -13.833 7.306 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.051 -13.541 7.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.040 -14.389 9.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.149 -15.689 9.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.835 -15.639 8.805 1.00 0.00 H new ATOM 654 N LYS A 46 11.569 -13.517 5.127 1.00 0.00 N ATOM 655 CA LYS A 46 12.980 -13.374 5.469 1.00 0.00 C ATOM 656 C LYS A 46 13.199 -13.562 6.966 1.00 0.00 C ATOM 657 O LYS A 46 12.263 -13.454 7.759 1.00 0.00 O ATOM 658 CB LYS A 46 13.494 -12.000 5.036 1.00 0.00 C ATOM 659 CG LYS A 46 13.274 -11.705 3.562 1.00 0.00 C ATOM 660 CD LYS A 46 13.868 -10.363 3.167 1.00 0.00 C ATOM 661 CE LYS A 46 13.359 -9.906 1.809 1.00 0.00 C ATOM 662 NZ LYS A 46 14.004 -10.654 0.694 1.00 0.00 N ATOM 0 H LYS A 46 10.931 -13.404 5.915 1.00 0.00 H new ATOM 0 HA LYS A 46 13.537 -14.147 4.939 1.00 0.00 H new ATOM 0 HB2 LYS A 46 12.998 -11.232 5.630 1.00 0.00 H new ATOM 0 HB3 LYS A 46 14.560 -11.934 5.256 1.00 0.00 H new ATOM 0 HG2 LYS A 46 13.725 -12.495 2.961 1.00 0.00 H new ATOM 0 HG3 LYS A 46 12.206 -11.709 3.345 1.00 0.00 H new ATOM 0 HD2 LYS A 46 13.617 -9.617 3.921 1.00 0.00 H new ATOM 0 HD3 LYS A 46 14.955 -10.438 3.143 1.00 0.00 H new ATOM 0 HE2 LYS A 46 12.279 -10.043 1.761 1.00 0.00 H new ATOM 0 HE3 LYS A 46 13.551 -8.840 1.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.630 -10.313 -0.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 15.033 -10.503 0.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 13.800 -11.669 0.793 1.00 0.00 H new ATOM 676 N PHE A 47 14.440 -13.842 7.348 1.00 0.00 N ATOM 677 CA PHE A 47 14.782 -14.044 8.751 1.00 0.00 C ATOM 678 C PHE A 47 16.238 -13.673 9.015 1.00 0.00 C ATOM 679 O PHE A 47 17.088 -13.775 8.130 1.00 0.00 O ATOM 680 CB PHE A 47 14.534 -15.499 9.154 1.00 0.00 C ATOM 681 CG PHE A 47 13.154 -15.987 8.817 1.00 0.00 C ATOM 682 CD1 PHE A 47 12.789 -16.222 7.501 1.00 0.00 C ATOM 683 CD2 PHE A 47 12.221 -16.213 9.817 1.00 0.00 C ATOM 684 CE1 PHE A 47 11.520 -16.670 7.189 1.00 0.00 C ATOM 685 CE2 PHE A 47 10.950 -16.662 9.511 1.00 0.00 C ATOM 686 CZ PHE A 47 10.600 -16.892 8.195 1.00 0.00 C ATOM 0 H PHE A 47 15.227 -13.934 6.705 1.00 0.00 H new ATOM 0 HA PHE A 47 14.145 -13.394 9.351 1.00 0.00 H new ATOM 0 HB2 PHE A 47 15.267 -16.135 8.658 1.00 0.00 H new ATOM 0 HB3 PHE A 47 14.696 -15.603 10.227 1.00 0.00 H new ATOM 0 HD1 PHE A 47 13.505 -16.053 6.710 1.00 0.00 H new ATOM 0 HD2 PHE A 47 12.490 -16.036 10.848 1.00 0.00 H new ATOM 0 HE1 PHE A 47 11.247 -16.847 6.159 1.00 0.00 H new ATOM 0 HE2 PHE A 47 10.232 -16.833 10.300 1.00 0.00 H new ATOM 0 HZ PHE A 47 9.608 -17.245 7.953 1.00 0.00 H new ATOM 696 N LYS A 48 16.519 -13.240 10.240 1.00 0.00 N ATOM 697 CA LYS A 48 17.872 -12.854 10.623 1.00 0.00 C ATOM 698 C LYS A 48 18.781 -14.075 10.717 1.00 0.00 C ATOM 699 O LYS A 48 19.895 -14.072 10.194 1.00 0.00 O ATOM 700 CB LYS A 48 17.853 -12.115 11.964 1.00 0.00 C ATOM 701 CG LYS A 48 17.689 -10.611 11.827 1.00 0.00 C ATOM 702 CD LYS A 48 16.225 -10.217 11.721 1.00 0.00 C ATOM 703 CE LYS A 48 15.515 -10.343 13.060 1.00 0.00 C ATOM 704 NZ LYS A 48 14.223 -9.604 13.075 1.00 0.00 N ATOM 0 H LYS A 48 15.828 -13.148 10.984 1.00 0.00 H new ATOM 0 HA LYS A 48 18.265 -12.189 9.853 1.00 0.00 H new ATOM 0 HB2 LYS A 48 17.039 -12.507 12.574 1.00 0.00 H new ATOM 0 HB3 LYS A 48 18.780 -12.324 12.498 1.00 0.00 H new ATOM 0 HG2 LYS A 48 18.139 -10.115 12.687 1.00 0.00 H new ATOM 0 HG3 LYS A 48 18.225 -10.265 10.943 1.00 0.00 H new ATOM 0 HD2 LYS A 48 16.149 -9.190 11.363 1.00 0.00 H new ATOM 0 HD3 LYS A 48 15.729 -10.849 10.984 1.00 0.00 H new ATOM 0 HE2 LYS A 48 15.334 -11.396 13.277 1.00 0.00 H new ATOM 0 HE3 LYS A 48 16.161 -9.961 13.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.770 -9.715 14.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.398 -8.595 12.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 13.597 -9.985 12.337 1.00 0.00 H new ATOM 718 N MET A 49 18.298 -15.117 11.384 1.00 0.00 N ATOM 719 CA MET A 49 19.067 -16.346 11.543 1.00 0.00 C ATOM 720 C MET A 49 18.535 -17.443 10.626 1.00 0.00 C ATOM 721 O MET A 49 17.431 -17.337 10.090 1.00 0.00 O ATOM 722 CB MET A 49 19.023 -16.816 12.998 1.00 0.00 C ATOM 723 CG MET A 49 19.476 -15.760 13.992 1.00 0.00 C ATOM 724 SD MET A 49 21.253 -15.810 14.297 1.00 0.00 S ATOM 725 CE MET A 49 21.485 -14.278 15.195 1.00 0.00 C ATOM 0 H MET A 49 17.378 -15.135 11.823 1.00 0.00 H new ATOM 0 HA MET A 49 20.101 -16.136 11.268 1.00 0.00 H new ATOM 0 HB2 MET A 49 18.005 -17.120 13.242 1.00 0.00 H new ATOM 0 HB3 MET A 49 19.654 -17.698 13.105 1.00 0.00 H new ATOM 0 HG2 MET A 49 19.203 -14.773 13.618 1.00 0.00 H new ATOM 0 HG3 MET A 49 18.946 -15.902 14.934 1.00 0.00 H new ATOM 0 HE1 MET A 49 22.537 -14.165 15.455 1.00 0.00 H new ATOM 0 HE2 MET A 49 21.173 -13.440 14.572 1.00 0.00 H new ATOM 0 HE3 MET A 49 20.886 -14.296 16.105 1.00 0.00 H new ATOM 735 N LYS A 50 19.327 -18.495 10.448 1.00 0.00 N ATOM 736 CA LYS A 50 18.936 -19.612 9.596 1.00 0.00 C ATOM 737 C LYS A 50 17.797 -20.405 10.228 1.00 0.00 C ATOM 738 O LYS A 50 16.793 -20.696 9.577 1.00 0.00 O ATOM 739 CB LYS A 50 20.133 -20.531 9.344 1.00 0.00 C ATOM 740 CG LYS A 50 20.813 -21.007 10.616 1.00 0.00 C ATOM 741 CD LYS A 50 22.038 -21.853 10.310 1.00 0.00 C ATOM 742 CE LYS A 50 23.252 -20.987 10.009 1.00 0.00 C ATOM 743 NZ LYS A 50 24.399 -21.795 9.510 1.00 0.00 N ATOM 0 H LYS A 50 20.244 -18.597 10.883 1.00 0.00 H new ATOM 0 HA LYS A 50 18.590 -19.208 8.645 1.00 0.00 H new ATOM 0 HB2 LYS A 50 19.801 -21.398 8.773 1.00 0.00 H new ATOM 0 HB3 LYS A 50 20.862 -20.004 8.728 1.00 0.00 H new ATOM 0 HG2 LYS A 50 21.105 -20.146 11.218 1.00 0.00 H new ATOM 0 HG3 LYS A 50 20.108 -21.587 11.211 1.00 0.00 H new ATOM 0 HD2 LYS A 50 22.254 -22.502 11.158 1.00 0.00 H new ATOM 0 HD3 LYS A 50 21.831 -22.500 9.458 1.00 0.00 H new ATOM 0 HE2 LYS A 50 22.987 -20.235 9.266 1.00 0.00 H new ATOM 0 HE3 LYS A 50 23.549 -20.452 10.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 25.207 -21.169 9.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 24.669 -22.496 10.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 24.124 -22.285 8.635 1.00 0.00 H new ATOM 757 N HIS A 51 17.959 -20.753 11.501 1.00 0.00 N ATOM 758 CA HIS A 51 16.942 -21.511 12.222 1.00 0.00 C ATOM 759 C HIS A 51 15.593 -20.803 12.164 1.00 0.00 C ATOM 760 O HIS A 51 14.548 -21.443 12.039 1.00 0.00 O ATOM 761 CB HIS A 51 17.364 -21.714 13.677 1.00 0.00 C ATOM 762 CG HIS A 51 18.121 -20.555 14.249 1.00 0.00 C ATOM 763 ND1 HIS A 51 19.497 -20.468 14.223 1.00 0.00 N ATOM 764 CD2 HIS A 51 17.686 -19.429 14.862 1.00 0.00 C ATOM 765 CE1 HIS A 51 19.876 -19.340 14.797 1.00 0.00 C ATOM 766 NE2 HIS A 51 18.796 -18.691 15.193 1.00 0.00 N ATOM 0 H HIS A 51 18.784 -20.522 12.054 1.00 0.00 H new ATOM 0 HA HIS A 51 16.841 -22.484 11.742 1.00 0.00 H new ATOM 0 HB2 HIS A 51 16.475 -21.891 14.283 1.00 0.00 H new ATOM 0 HB3 HIS A 51 17.981 -22.610 13.746 1.00 0.00 H new ATOM 0 HD1 HIS A 51 20.124 -21.166 13.823 1.00 0.00 H new ATOM 0 HD2 HIS A 51 16.658 -19.161 15.055 1.00 0.00 H new ATOM 0 HE1 HIS A 51 20.895 -19.006 14.921 1.00 0.00 H new ATOM 774 N HIS A 52 15.621 -19.477 12.257 1.00 0.00 N ATOM 775 CA HIS A 52 14.400 -18.681 12.216 1.00 0.00 C ATOM 776 C HIS A 52 13.663 -18.884 10.895 1.00 0.00 C ATOM 777 O HIS A 52 12.434 -18.821 10.841 1.00 0.00 O ATOM 778 CB HIS A 52 14.724 -17.199 12.409 1.00 0.00 C ATOM 779 CG HIS A 52 15.194 -16.864 13.791 1.00 0.00 C ATOM 780 ND1 HIS A 52 16.139 -15.895 14.051 1.00 0.00 N ATOM 781 CD2 HIS A 52 14.841 -17.375 14.994 1.00 0.00 C ATOM 782 CE1 HIS A 52 16.349 -15.825 15.353 1.00 0.00 C ATOM 783 NE2 HIS A 52 15.573 -16.713 15.949 1.00 0.00 N ATOM 0 H HIS A 52 16.476 -18.931 12.361 1.00 0.00 H new ATOM 0 HA HIS A 52 13.753 -19.012 13.028 1.00 0.00 H new ATOM 0 HB2 HIS A 52 15.492 -16.907 11.692 1.00 0.00 H new ATOM 0 HB3 HIS A 52 13.836 -16.609 12.183 1.00 0.00 H new ATOM 0 HD2 HIS A 52 14.118 -18.158 15.170 1.00 0.00 H new ATOM 0 HE1 HIS A 52 17.038 -15.156 15.847 1.00 0.00 H new ATOM 0 HE2 HIS A 52 15.525 -16.880 16.954 1.00 0.00 H new ATOM 791 N LEU A 53 14.422 -19.128 9.832 1.00 0.00 N ATOM 792 CA LEU A 53 13.841 -19.340 8.510 1.00 0.00 C ATOM 793 C LEU A 53 13.274 -20.750 8.385 1.00 0.00 C ATOM 794 O LEU A 53 12.194 -20.949 7.828 1.00 0.00 O ATOM 795 CB LEU A 53 14.893 -19.103 7.426 1.00 0.00 C ATOM 796 CG LEU A 53 14.503 -19.525 6.009 1.00 0.00 C ATOM 797 CD1 LEU A 53 13.353 -18.673 5.496 1.00 0.00 C ATOM 798 CD2 LEU A 53 15.700 -19.426 5.074 1.00 0.00 C ATOM 0 H LEU A 53 15.440 -19.184 9.859 1.00 0.00 H new ATOM 0 HA LEU A 53 13.026 -18.628 8.379 1.00 0.00 H new ATOM 0 HB2 LEU A 53 15.139 -18.041 7.413 1.00 0.00 H new ATOM 0 HB3 LEU A 53 15.801 -19.637 7.706 1.00 0.00 H new ATOM 0 HG LEU A 53 14.174 -20.564 6.038 1.00 0.00 H new ATOM 0 HD11 LEU A 53 13.089 -18.988 4.486 1.00 0.00 H new ATOM 0 HD12 LEU A 53 12.490 -18.794 6.151 1.00 0.00 H new ATOM 0 HD13 LEU A 53 13.654 -17.625 5.482 1.00 0.00 H new ATOM 0 HD21 LEU A 53 15.404 -19.730 4.070 1.00 0.00 H new ATOM 0 HD22 LEU A 53 16.059 -18.397 5.050 1.00 0.00 H new ATOM 0 HD23 LEU A 53 16.496 -20.080 5.431 1.00 0.00 H new ATOM 810 N VAL A 54 14.009 -21.727 8.908 1.00 0.00 N ATOM 811 CA VAL A 54 13.577 -23.119 8.857 1.00 0.00 C ATOM 812 C VAL A 54 12.170 -23.279 9.422 1.00 0.00 C ATOM 813 O VAL A 54 11.254 -23.706 8.721 1.00 0.00 O ATOM 814 CB VAL A 54 14.540 -24.033 9.639 1.00 0.00 C ATOM 815 CG1 VAL A 54 13.883 -25.373 9.932 1.00 0.00 C ATOM 816 CG2 VAL A 54 15.837 -24.223 8.868 1.00 0.00 C ATOM 0 H VAL A 54 14.906 -21.580 9.371 1.00 0.00 H new ATOM 0 HA VAL A 54 13.579 -23.414 7.808 1.00 0.00 H new ATOM 0 HB VAL A 54 14.776 -23.555 10.590 1.00 0.00 H new ATOM 0 HG11 VAL A 54 14.578 -26.006 10.485 1.00 0.00 H new ATOM 0 HG12 VAL A 54 12.984 -25.215 10.527 1.00 0.00 H new ATOM 0 HG13 VAL A 54 13.616 -25.860 8.994 1.00 0.00 H new ATOM 0 HG21 VAL A 54 16.506 -24.871 9.435 1.00 0.00 H new ATOM 0 HG22 VAL A 54 15.622 -24.679 7.902 1.00 0.00 H new ATOM 0 HG23 VAL A 54 16.314 -23.255 8.714 1.00 0.00 H new ATOM 826 N GLY A 55 12.006 -22.933 10.695 1.00 0.00 N ATOM 827 CA GLY A 55 10.708 -23.045 11.333 1.00 0.00 C ATOM 828 C GLY A 55 9.581 -22.559 10.443 1.00 0.00 C ATOM 829 O GLY A 55 8.429 -22.962 10.611 1.00 0.00 O ATOM 0 H GLY A 55 12.749 -22.577 11.296 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.529 -24.085 11.605 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.710 -22.469 12.258 1.00 0.00 H new ATOM 833 N HIS A 56 9.912 -21.689 9.494 1.00 0.00 N ATOM 834 CA HIS A 56 8.918 -21.146 8.575 1.00 0.00 C ATOM 835 C HIS A 56 8.881 -21.949 7.278 1.00 0.00 C ATOM 836 O HIS A 56 7.809 -22.258 6.758 1.00 0.00 O ATOM 837 CB HIS A 56 9.221 -19.678 8.271 1.00 0.00 C ATOM 838 CG HIS A 56 8.701 -19.222 6.942 1.00 0.00 C ATOM 839 ND1 HIS A 56 7.403 -18.801 6.746 1.00 0.00 N ATOM 840 CD2 HIS A 56 9.314 -19.120 5.740 1.00 0.00 C ATOM 841 CE1 HIS A 56 7.239 -18.462 5.480 1.00 0.00 C ATOM 842 NE2 HIS A 56 8.384 -18.646 4.848 1.00 0.00 N ATOM 0 H HIS A 56 10.860 -21.345 9.341 1.00 0.00 H new ATOM 0 HA HIS A 56 7.941 -21.216 9.053 1.00 0.00 H new ATOM 0 HB2 HIS A 56 8.788 -19.056 9.054 1.00 0.00 H new ATOM 0 HB3 HIS A 56 10.300 -19.524 8.302 1.00 0.00 H new ATOM 0 HD1 HIS A 56 6.682 -18.758 7.466 1.00 0.00 H new ATOM 0 HD2 HIS A 56 10.343 -19.366 5.523 1.00 0.00 H new ATOM 0 HE1 HIS A 56 6.324 -18.097 5.037 1.00 0.00 H new ATOM 850 N MET A 57 10.059 -22.283 6.761 1.00 0.00 N ATOM 851 CA MET A 57 10.161 -23.051 5.525 1.00 0.00 C ATOM 852 C MET A 57 9.328 -24.326 5.607 1.00 0.00 C ATOM 853 O MET A 57 8.873 -24.849 4.589 1.00 0.00 O ATOM 854 CB MET A 57 11.622 -23.401 5.236 1.00 0.00 C ATOM 855 CG MET A 57 12.510 -22.183 5.035 1.00 0.00 C ATOM 856 SD MET A 57 12.678 -21.725 3.299 1.00 0.00 S ATOM 857 CE MET A 57 10.959 -21.612 2.811 1.00 0.00 C ATOM 0 H MET A 57 10.956 -22.034 7.178 1.00 0.00 H new ATOM 0 HA MET A 57 9.774 -22.437 4.712 1.00 0.00 H new ATOM 0 HB2 MET A 57 12.015 -23.995 6.061 1.00 0.00 H new ATOM 0 HB3 MET A 57 11.668 -24.025 4.344 1.00 0.00 H new ATOM 0 HG2 MET A 57 12.097 -21.341 5.590 1.00 0.00 H new ATOM 0 HG3 MET A 57 13.497 -22.385 5.451 1.00 0.00 H new ATOM 0 HE1 MET A 57 10.895 -21.250 1.785 1.00 0.00 H new ATOM 0 HE2 MET A 57 10.496 -22.597 2.878 1.00 0.00 H new ATOM 0 HE3 MET A 57 10.438 -20.920 3.473 1.00 0.00 H new ATOM 867 N LYS A 58 9.131 -24.822 6.824 1.00 0.00 N ATOM 868 CA LYS A 58 8.351 -26.035 7.039 1.00 0.00 C ATOM 869 C LYS A 58 6.936 -25.877 6.491 1.00 0.00 C ATOM 870 O LYS A 58 6.211 -26.859 6.327 1.00 0.00 O ATOM 871 CB LYS A 58 8.297 -26.373 8.531 1.00 0.00 C ATOM 872 CG LYS A 58 9.660 -26.647 9.142 1.00 0.00 C ATOM 873 CD LYS A 58 9.653 -26.419 10.644 1.00 0.00 C ATOM 874 CE LYS A 58 8.898 -27.521 11.372 1.00 0.00 C ATOM 875 NZ LYS A 58 9.698 -28.773 11.465 1.00 0.00 N ATOM 0 H LYS A 58 9.501 -24.402 7.677 1.00 0.00 H new ATOM 0 HA LYS A 58 8.839 -26.850 6.505 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.828 -25.547 9.065 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.662 -27.247 8.674 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.955 -27.675 8.930 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.405 -26.000 8.678 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.678 -26.375 11.011 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.194 -25.455 10.865 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.637 -27.181 12.374 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.963 -27.726 10.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.185 -29.471 12.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.854 -29.157 10.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.616 -28.566 11.909 1.00 0.00 H new ATOM 889 N ILE A 59 6.551 -24.637 6.209 1.00 0.00 N ATOM 890 CA ILE A 59 5.224 -24.353 5.677 1.00 0.00 C ATOM 891 C ILE A 59 5.169 -24.605 4.174 1.00 0.00 C ATOM 892 O ILE A 59 4.090 -24.735 3.595 1.00 0.00 O ATOM 893 CB ILE A 59 4.806 -22.897 5.958 1.00 0.00 C ATOM 894 CG1 ILE A 59 5.431 -21.956 4.926 1.00 0.00 C ATOM 895 CG2 ILE A 59 5.211 -22.492 7.367 1.00 0.00 C ATOM 896 CD1 ILE A 59 4.978 -20.519 5.067 1.00 0.00 C ATOM 0 H ILE A 59 7.139 -23.814 6.340 1.00 0.00 H new ATOM 0 HA ILE A 59 4.530 -25.026 6.181 1.00 0.00 H new ATOM 0 HB ILE A 59 3.721 -22.824 5.878 1.00 0.00 H new ATOM 0 HG12 ILE A 59 6.516 -21.997 5.019 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.183 -22.310 3.926 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.909 -21.461 7.550 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.722 -23.147 8.088 1.00 0.00 H new ATOM 0 HG23 ILE A 59 6.292 -22.578 7.474 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.461 -19.909 4.304 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.896 -20.465 4.945 1.00 0.00 H new ATOM 0 HD13 ILE A 59 5.250 -20.147 6.055 1.00 0.00 H new ATOM 908 N HIS A 60 6.339 -24.675 3.548 1.00 0.00 N ATOM 909 CA HIS A 60 6.424 -24.915 2.112 1.00 0.00 C ATOM 910 C HIS A 60 7.019 -26.291 1.825 1.00 0.00 C ATOM 911 O HIS A 60 6.440 -27.088 1.086 1.00 0.00 O ATOM 912 CB HIS A 60 7.270 -23.831 1.442 1.00 0.00 C ATOM 913 CG HIS A 60 6.811 -22.439 1.748 1.00 0.00 C ATOM 914 ND1 HIS A 60 5.543 -21.983 1.456 1.00 0.00 N ATOM 915 CD2 HIS A 60 7.458 -21.401 2.327 1.00 0.00 C ATOM 916 CE1 HIS A 60 5.431 -20.724 1.840 1.00 0.00 C ATOM 917 NE2 HIS A 60 6.580 -20.347 2.372 1.00 0.00 N ATOM 0 H HIS A 60 7.241 -24.569 4.012 1.00 0.00 H new ATOM 0 HA HIS A 60 5.414 -24.883 1.703 1.00 0.00 H new ATOM 0 HB2 HIS A 60 8.306 -23.941 1.761 1.00 0.00 H new ATOM 0 HB3 HIS A 60 7.251 -23.982 0.363 1.00 0.00 H new ATOM 0 HD1 HIS A 60 4.806 -22.532 1.013 1.00 0.00 H new ATOM 0 HD2 HIS A 60 8.476 -21.402 2.687 1.00 0.00 H new ATOM 0 HE1 HIS A 60 4.550 -20.108 1.737 1.00 0.00 H new ATOM 925 N THR A 61 8.180 -26.563 2.413 1.00 0.00 N ATOM 926 CA THR A 61 8.854 -27.840 2.220 1.00 0.00 C ATOM 927 C THR A 61 7.951 -29.004 2.614 1.00 0.00 C ATOM 928 O THR A 61 6.792 -28.807 2.979 1.00 0.00 O ATOM 929 CB THR A 61 10.157 -27.917 3.037 1.00 0.00 C ATOM 930 OG1 THR A 61 9.896 -27.592 4.407 1.00 0.00 O ATOM 931 CG2 THR A 61 11.205 -26.968 2.476 1.00 0.00 C ATOM 0 H THR A 61 8.673 -25.915 3.027 1.00 0.00 H new ATOM 0 HA THR A 61 9.094 -27.913 1.159 1.00 0.00 H new ATOM 0 HB THR A 61 10.541 -28.935 2.972 1.00 0.00 H new ATOM 0 HG1 THR A 61 9.648 -26.647 4.477 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.116 -27.040 3.070 1.00 0.00 H new ATOM 0 HG22 THR A 61 11.423 -27.237 1.442 1.00 0.00 H new ATOM 0 HG23 THR A 61 10.828 -25.946 2.513 1.00 0.00 H new ATOM 939 N GLY A 62 8.489 -30.217 2.538 1.00 0.00 N ATOM 940 CA GLY A 62 7.717 -31.394 2.890 1.00 0.00 C ATOM 941 C GLY A 62 6.984 -31.984 1.702 1.00 0.00 C ATOM 942 O GLY A 62 5.769 -32.176 1.747 1.00 0.00 O ATOM 0 H GLY A 62 9.446 -30.406 2.239 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.382 -32.147 3.313 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.996 -31.133 3.665 1.00 0.00 H new ATOM 946 N ILE A 63 7.723 -32.270 0.635 1.00 0.00 N ATOM 947 CA ILE A 63 7.135 -32.841 -0.570 1.00 0.00 C ATOM 948 C ILE A 63 7.105 -34.364 -0.500 1.00 0.00 C ATOM 949 O ILE A 63 8.147 -35.013 -0.420 1.00 0.00 O ATOM 950 CB ILE A 63 7.907 -32.412 -1.831 1.00 0.00 C ATOM 951 CG1 ILE A 63 7.860 -30.891 -1.992 1.00 0.00 C ATOM 952 CG2 ILE A 63 7.335 -33.098 -3.063 1.00 0.00 C ATOM 953 CD1 ILE A 63 9.030 -30.179 -1.352 1.00 0.00 C ATOM 0 H ILE A 63 8.730 -32.116 0.581 1.00 0.00 H new ATOM 0 HA ILE A 63 6.115 -32.463 -0.632 1.00 0.00 H new ATOM 0 HB ILE A 63 8.948 -32.715 -1.721 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.834 -30.647 -3.054 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.934 -30.516 -1.556 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.892 -32.784 -3.946 1.00 0.00 H new ATOM 0 HG22 ILE A 63 7.416 -34.179 -2.948 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.287 -32.823 -3.179 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.930 -29.105 -1.506 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.046 -30.393 -0.283 1.00 0.00 H new ATOM 0 HD13 ILE A 63 9.959 -30.526 -1.805 1.00 0.00 H new ATOM 965 N LYS A 64 5.902 -34.929 -0.532 1.00 0.00 N ATOM 966 CA LYS A 64 5.735 -36.376 -0.475 1.00 0.00 C ATOM 967 C LYS A 64 5.217 -36.916 -1.804 1.00 0.00 C ATOM 968 O LYS A 64 4.266 -36.394 -2.385 1.00 0.00 O ATOM 969 CB LYS A 64 4.771 -36.754 0.652 1.00 0.00 C ATOM 970 CG LYS A 64 3.402 -36.107 0.525 1.00 0.00 C ATOM 971 CD LYS A 64 3.338 -34.786 1.273 1.00 0.00 C ATOM 972 CE LYS A 64 2.219 -33.901 0.746 1.00 0.00 C ATOM 973 NZ LYS A 64 0.924 -34.632 0.668 1.00 0.00 N ATOM 0 H LYS A 64 5.029 -34.406 -0.597 1.00 0.00 H new ATOM 0 HA LYS A 64 6.709 -36.822 -0.277 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.651 -37.837 0.668 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.212 -36.468 1.607 1.00 0.00 H new ATOM 0 HG2 LYS A 64 3.173 -35.941 -0.528 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.641 -36.784 0.914 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.184 -34.975 2.335 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.291 -34.266 1.177 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.107 -33.032 1.395 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.486 -33.528 -0.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.149 -33.952 0.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 0.946 -35.292 -0.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.772 -35.164 1.549 1.00 0.00 H new ATOM 987 N PRO A 65 5.855 -37.988 -2.296 1.00 0.00 N ATOM 988 CA PRO A 65 5.474 -38.624 -3.561 1.00 0.00 C ATOM 989 C PRO A 65 4.133 -39.343 -3.468 1.00 0.00 C ATOM 990 O PRO A 65 3.291 -39.225 -4.359 1.00 0.00 O ATOM 991 CB PRO A 65 6.603 -39.628 -3.808 1.00 0.00 C ATOM 992 CG PRO A 65 7.144 -39.930 -2.453 1.00 0.00 C ATOM 993 CD PRO A 65 6.997 -38.663 -1.656 1.00 0.00 C ATOM 0 HA PRO A 65 5.350 -37.895 -4.362 1.00 0.00 H new ATOM 0 HB2 PRO A 65 6.232 -40.529 -4.296 1.00 0.00 H new ATOM 0 HB3 PRO A 65 7.372 -39.208 -4.457 1.00 0.00 H new ATOM 0 HG2 PRO A 65 6.596 -40.749 -1.988 1.00 0.00 H new ATOM 0 HG3 PRO A 65 8.188 -40.237 -2.509 1.00 0.00 H new ATOM 0 HD2 PRO A 65 6.803 -38.870 -0.604 1.00 0.00 H new ATOM 0 HD3 PRO A 65 7.900 -38.054 -1.700 1.00 0.00 H new ATOM 1001 N TYR A 66 3.940 -40.087 -2.385 1.00 0.00 N ATOM 1002 CA TYR A 66 2.701 -40.827 -2.177 1.00 0.00 C ATOM 1003 C TYR A 66 2.250 -40.735 -0.722 1.00 0.00 C ATOM 1004 O TYR A 66 2.959 -40.195 0.126 1.00 0.00 O ATOM 1005 CB TYR A 66 2.885 -42.293 -2.574 1.00 0.00 C ATOM 1006 CG TYR A 66 3.416 -42.478 -3.977 1.00 0.00 C ATOM 1007 CD1 TYR A 66 2.555 -42.531 -5.066 1.00 0.00 C ATOM 1008 CD2 TYR A 66 4.780 -42.598 -4.214 1.00 0.00 C ATOM 1009 CE1 TYR A 66 3.036 -42.701 -6.350 1.00 0.00 C ATOM 1010 CE2 TYR A 66 5.271 -42.766 -5.495 1.00 0.00 C ATOM 1011 CZ TYR A 66 4.395 -42.818 -6.559 1.00 0.00 C ATOM 1012 OH TYR A 66 4.878 -42.985 -7.837 1.00 0.00 O ATOM 0 H TYR A 66 4.626 -40.194 -1.637 1.00 0.00 H new ATOM 0 HA TYR A 66 1.931 -40.381 -2.806 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.568 -42.768 -1.870 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.928 -42.807 -2.486 1.00 0.00 H new ATOM 0 HD1 TYR A 66 1.491 -42.438 -4.906 1.00 0.00 H new ATOM 0 HD2 TYR A 66 5.468 -42.559 -3.383 1.00 0.00 H new ATOM 0 HE1 TYR A 66 2.352 -42.742 -7.185 1.00 0.00 H new ATOM 0 HE2 TYR A 66 6.334 -42.856 -5.662 1.00 0.00 H new ATOM 0 HH TYR A 66 5.856 -43.050 -7.811 1.00 0.00 H new ATOM 1022 N GLU A 67 1.065 -41.269 -0.442 1.00 0.00 N ATOM 1023 CA GLU A 67 0.518 -41.248 0.909 1.00 0.00 C ATOM 1024 C GLU A 67 -0.606 -42.269 1.058 1.00 0.00 C ATOM 1025 O GLU A 67 -1.399 -42.475 0.138 1.00 0.00 O ATOM 1026 CB GLU A 67 0.000 -39.849 1.251 1.00 0.00 C ATOM 1027 CG GLU A 67 -0.949 -39.825 2.438 1.00 0.00 C ATOM 1028 CD GLU A 67 -1.156 -38.429 2.991 1.00 0.00 C ATOM 1029 OE1 GLU A 67 -2.055 -37.720 2.491 1.00 0.00 O ATOM 1030 OE2 GLU A 67 -0.421 -38.045 3.924 1.00 0.00 O ATOM 0 H GLU A 67 0.466 -41.721 -1.133 1.00 0.00 H new ATOM 0 HA GLU A 67 1.318 -41.511 1.601 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.848 -39.198 1.462 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.510 -39.437 0.380 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.911 -40.239 2.137 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.557 -40.469 3.225 1.00 0.00 H new ATOM 1037 N CYS A 68 -0.668 -42.906 2.222 1.00 0.00 N ATOM 1038 CA CYS A 68 -1.693 -43.907 2.493 1.00 0.00 C ATOM 1039 C CYS A 68 -3.074 -43.263 2.578 1.00 0.00 C ATOM 1040 O CYS A 68 -3.203 -42.040 2.534 1.00 0.00 O ATOM 1041 CB CYS A 68 -1.382 -44.646 3.796 1.00 0.00 C ATOM 1042 SG CYS A 68 -2.114 -46.311 3.899 1.00 0.00 S ATOM 0 H CYS A 68 -0.020 -42.747 2.994 1.00 0.00 H new ATOM 0 HA CYS A 68 -1.695 -44.621 1.669 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -0.301 -44.729 3.905 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -1.742 -44.050 4.634 1.00 0.00 H new ATOM 1047 N ASN A 69 -4.102 -44.095 2.701 1.00 0.00 N ATOM 1048 CA ASN A 69 -5.474 -43.607 2.792 1.00 0.00 C ATOM 1049 C ASN A 69 -6.027 -43.798 4.202 1.00 0.00 C ATOM 1050 O ASN A 69 -6.764 -42.953 4.710 1.00 0.00 O ATOM 1051 CB ASN A 69 -6.364 -44.332 1.781 1.00 0.00 C ATOM 1052 CG ASN A 69 -5.599 -44.767 0.546 1.00 0.00 C ATOM 1053 OD1 ASN A 69 -4.548 -45.401 0.644 1.00 0.00 O ATOM 1054 ND2 ASN A 69 -6.124 -44.428 -0.626 1.00 0.00 N ATOM 0 H ASN A 69 -4.012 -45.110 2.740 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.470 -42.541 2.563 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -6.811 -45.206 2.255 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -7.183 -43.676 1.486 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.654 -44.694 -1.491 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.997 -43.902 -0.661 1.00 0.00 H new ATOM 1061 N ILE A 70 -5.665 -44.913 4.827 1.00 0.00 N ATOM 1062 CA ILE A 70 -6.123 -45.215 6.177 1.00 0.00 C ATOM 1063 C ILE A 70 -5.339 -44.418 7.214 1.00 0.00 C ATOM 1064 O ILE A 70 -5.889 -43.552 7.895 1.00 0.00 O ATOM 1065 CB ILE A 70 -5.993 -46.716 6.494 1.00 0.00 C ATOM 1066 CG1 ILE A 70 -6.821 -47.541 5.507 1.00 0.00 C ATOM 1067 CG2 ILE A 70 -6.430 -46.995 7.924 1.00 0.00 C ATOM 1068 CD1 ILE A 70 -6.142 -47.746 4.172 1.00 0.00 C ATOM 0 H ILE A 70 -5.056 -45.622 4.420 1.00 0.00 H new ATOM 0 HA ILE A 70 -7.175 -44.933 6.224 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.947 -47.005 6.392 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.035 -48.514 5.950 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -7.779 -47.046 5.346 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -6.332 -48.060 8.133 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -5.802 -46.431 8.613 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.470 -46.694 8.052 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -6.787 -48.339 3.523 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -5.952 -46.778 3.708 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -5.197 -48.269 4.321 1.00 0.00 H new ATOM 1080 N CYS A 71 -4.049 -44.715 7.329 1.00 0.00 N ATOM 1081 CA CYS A 71 -3.186 -44.027 8.282 1.00 0.00 C ATOM 1082 C CYS A 71 -2.660 -42.721 7.693 1.00 0.00 C ATOM 1083 O CYS A 71 -2.134 -41.871 8.413 1.00 0.00 O ATOM 1084 CB CYS A 71 -2.016 -44.926 8.685 1.00 0.00 C ATOM 1085 SG CYS A 71 -1.009 -45.509 7.283 1.00 0.00 S ATOM 0 H CYS A 71 -3.578 -45.429 6.773 1.00 0.00 H new ATOM 0 HA CYS A 71 -3.777 -43.794 9.168 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -1.375 -44.381 9.377 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -2.405 -45.790 9.224 1.00 0.00 H new ATOM 1090 N ALA A 72 -2.804 -42.569 6.381 1.00 0.00 N ATOM 1091 CA ALA A 72 -2.346 -41.366 5.696 1.00 0.00 C ATOM 1092 C ALA A 72 -0.833 -41.211 5.813 1.00 0.00 C ATOM 1093 O ALA A 72 -0.306 -40.100 5.758 1.00 0.00 O ATOM 1094 CB ALA A 72 -3.049 -40.139 6.257 1.00 0.00 C ATOM 0 H ALA A 72 -3.234 -43.264 5.771 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.595 -41.462 4.639 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.697 -39.248 5.736 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.125 -40.240 6.117 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.829 -40.048 7.321 1.00 0.00 H new ATOM 1100 N LYS A 73 -0.139 -42.332 5.976 1.00 0.00 N ATOM 1101 CA LYS A 73 1.314 -42.322 6.100 1.00 0.00 C ATOM 1102 C LYS A 73 1.966 -41.812 4.819 1.00 0.00 C ATOM 1103 O LYS A 73 1.385 -41.902 3.737 1.00 0.00 O ATOM 1104 CB LYS A 73 1.829 -43.727 6.422 1.00 0.00 C ATOM 1105 CG LYS A 73 1.910 -44.018 7.911 1.00 0.00 C ATOM 1106 CD LYS A 73 2.608 -45.340 8.183 1.00 0.00 C ATOM 1107 CE LYS A 73 3.193 -45.383 9.586 1.00 0.00 C ATOM 1108 NZ LYS A 73 2.130 -45.431 10.629 1.00 0.00 N ATOM 0 H LYS A 73 -0.560 -43.260 6.025 1.00 0.00 H new ATOM 0 HA LYS A 73 1.579 -41.649 6.915 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.175 -44.461 5.952 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.818 -43.852 5.981 1.00 0.00 H new ATOM 0 HG2 LYS A 73 2.447 -43.212 8.412 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.905 -44.042 8.333 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.900 -46.159 8.058 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.402 -45.491 7.452 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.838 -46.256 9.684 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.819 -44.505 9.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.569 -45.459 11.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.530 -44.585 10.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.548 -46.282 10.493 1.00 0.00 H new ATOM 1122 N ARG A 74 3.176 -41.278 4.948 1.00 0.00 N ATOM 1123 CA ARG A 74 3.907 -40.754 3.801 1.00 0.00 C ATOM 1124 C ARG A 74 5.095 -41.648 3.458 1.00 0.00 C ATOM 1125 O ARG A 74 5.827 -42.091 4.343 1.00 0.00 O ATOM 1126 CB ARG A 74 4.391 -39.331 4.084 1.00 0.00 C ATOM 1127 CG ARG A 74 3.287 -38.391 4.539 1.00 0.00 C ATOM 1128 CD ARG A 74 3.845 -37.214 5.324 1.00 0.00 C ATOM 1129 NE ARG A 74 4.470 -36.222 4.453 1.00 0.00 N ATOM 1130 CZ ARG A 74 5.763 -36.221 4.150 1.00 0.00 C ATOM 1131 NH1 ARG A 74 6.564 -37.154 4.644 1.00 0.00 N ATOM 1132 NH2 ARG A 74 6.258 -35.285 3.349 1.00 0.00 N ATOM 0 H ARG A 74 3.671 -41.197 5.836 1.00 0.00 H new ATOM 0 HA ARG A 74 3.229 -40.737 2.948 1.00 0.00 H new ATOM 0 HB2 ARG A 74 5.166 -39.365 4.850 1.00 0.00 H new ATOM 0 HB3 ARG A 74 4.852 -38.927 3.183 1.00 0.00 H new ATOM 0 HG2 ARG A 74 2.740 -38.024 3.671 1.00 0.00 H new ATOM 0 HG3 ARG A 74 2.575 -38.937 5.157 1.00 0.00 H new ATOM 0 HD2 ARG A 74 3.042 -36.744 5.892 1.00 0.00 H new ATOM 0 HD3 ARG A 74 4.577 -37.575 6.047 1.00 0.00 H new ATOM 0 HE ARG A 74 3.881 -35.490 4.056 1.00 0.00 H new ATOM 0 HH11 ARG A 74 6.188 -37.876 5.259 1.00 0.00 H new ATOM 0 HH12 ARG A 74 7.557 -37.150 4.409 1.00 0.00 H new ATOM 0 HH21 ARG A 74 5.645 -34.566 2.966 1.00 0.00 H new ATOM 0 HH22 ARG A 74 7.251 -35.285 3.117 1.00 0.00 H new ATOM 1146 N PHE A 75 5.279 -41.910 2.168 1.00 0.00 N ATOM 1147 CA PHE A 75 6.376 -42.752 1.708 1.00 0.00 C ATOM 1148 C PHE A 75 7.312 -41.973 0.789 1.00 0.00 C ATOM 1149 O PHE A 75 7.149 -40.768 0.596 1.00 0.00 O ATOM 1150 CB PHE A 75 5.832 -43.981 0.977 1.00 0.00 C ATOM 1151 CG PHE A 75 4.933 -44.834 1.825 1.00 0.00 C ATOM 1152 CD1 PHE A 75 3.720 -44.344 2.283 1.00 0.00 C ATOM 1153 CD2 PHE A 75 5.300 -46.126 2.166 1.00 0.00 C ATOM 1154 CE1 PHE A 75 2.890 -45.126 3.063 1.00 0.00 C ATOM 1155 CE2 PHE A 75 4.474 -46.913 2.946 1.00 0.00 C ATOM 1156 CZ PHE A 75 3.268 -46.412 3.396 1.00 0.00 C ATOM 0 H PHE A 75 4.682 -41.551 1.423 1.00 0.00 H new ATOM 0 HA PHE A 75 6.941 -43.078 2.581 1.00 0.00 H new ATOM 0 HB2 PHE A 75 5.283 -43.655 0.094 1.00 0.00 H new ATOM 0 HB3 PHE A 75 6.669 -44.585 0.627 1.00 0.00 H new ATOM 0 HD1 PHE A 75 3.420 -43.339 2.027 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.242 -46.523 1.818 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.947 -44.732 3.412 1.00 0.00 H new ATOM 0 HE2 PHE A 75 4.771 -47.919 3.203 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.622 -47.025 4.007 1.00 0.00 H new ATOM 1166 N MET A 76 8.293 -42.669 0.225 1.00 0.00 N ATOM 1167 CA MET A 76 9.255 -42.043 -0.675 1.00 0.00 C ATOM 1168 C MET A 76 9.167 -42.648 -2.072 1.00 0.00 C ATOM 1169 O MET A 76 9.389 -41.963 -3.070 1.00 0.00 O ATOM 1170 CB MET A 76 10.675 -42.200 -0.127 1.00 0.00 C ATOM 1171 CG MET A 76 11.753 -41.715 -1.083 1.00 0.00 C ATOM 1172 SD MET A 76 12.192 -39.987 -0.816 1.00 0.00 S ATOM 1173 CE MET A 76 11.765 -39.280 -2.406 1.00 0.00 C ATOM 0 H MET A 76 8.443 -43.667 0.375 1.00 0.00 H new ATOM 0 HA MET A 76 9.014 -40.982 -0.743 1.00 0.00 H new ATOM 0 HB2 MET A 76 10.757 -41.649 0.810 1.00 0.00 H new ATOM 0 HB3 MET A 76 10.852 -43.250 0.105 1.00 0.00 H new ATOM 0 HG2 MET A 76 12.642 -42.334 -0.966 1.00 0.00 H new ATOM 0 HG3 MET A 76 11.408 -41.844 -2.109 1.00 0.00 H new ATOM 0 HE1 MET A 76 11.980 -38.211 -2.399 1.00 0.00 H new ATOM 0 HE2 MET A 76 12.351 -39.763 -3.188 1.00 0.00 H new ATOM 0 HE3 MET A 76 10.704 -39.435 -2.600 1.00 0.00 H new ATOM 1183 N TRP A 77 8.842 -43.934 -2.135 1.00 0.00 N ATOM 1184 CA TRP A 77 8.724 -44.631 -3.411 1.00 0.00 C ATOM 1185 C TRP A 77 7.381 -45.344 -3.521 1.00 0.00 C ATOM 1186 O TRP A 77 6.854 -45.850 -2.530 1.00 0.00 O ATOM 1187 CB TRP A 77 9.865 -45.638 -3.573 1.00 0.00 C ATOM 1188 CG TRP A 77 11.214 -44.994 -3.683 1.00 0.00 C ATOM 1189 CD1 TRP A 77 12.156 -44.893 -2.699 1.00 0.00 C ATOM 1190 CD2 TRP A 77 11.770 -44.362 -4.841 1.00 0.00 C ATOM 1191 NE1 TRP A 77 13.264 -44.235 -3.176 1.00 0.00 N ATOM 1192 CE2 TRP A 77 13.053 -43.900 -4.487 1.00 0.00 C ATOM 1193 CE3 TRP A 77 11.310 -44.144 -6.142 1.00 0.00 C ATOM 1194 CZ2 TRP A 77 13.878 -43.233 -5.389 1.00 0.00 C ATOM 1195 CZ3 TRP A 77 12.130 -43.480 -7.035 1.00 0.00 C ATOM 1196 CH2 TRP A 77 13.402 -43.032 -6.656 1.00 0.00 C ATOM 0 H TRP A 77 8.655 -44.515 -1.318 1.00 0.00 H new ATOM 0 HA TRP A 77 8.786 -43.890 -4.208 1.00 0.00 H new ATOM 0 HB2 TRP A 77 9.863 -46.318 -2.721 1.00 0.00 H new ATOM 0 HB3 TRP A 77 9.684 -46.241 -4.463 1.00 0.00 H new ATOM 0 HD1 TRP A 77 12.046 -45.274 -1.694 1.00 0.00 H new ATOM 0 HE1 TRP A 77 14.107 -44.029 -2.640 1.00 0.00 H new ATOM 0 HE3 TRP A 77 10.332 -44.488 -6.444 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 14.859 -42.887 -5.099 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 11.784 -43.303 -8.043 1.00 0.00 H new ATOM 0 HH2 TRP A 77 14.019 -42.518 -7.378 1.00 0.00 H new ATOM 1207 N ARG A 78 6.832 -45.379 -4.730 1.00 0.00 N ATOM 1208 CA ARG A 78 5.549 -46.029 -4.968 1.00 0.00 C ATOM 1209 C ARG A 78 5.548 -47.450 -4.412 1.00 0.00 C ATOM 1210 O ARG A 78 4.696 -47.809 -3.600 1.00 0.00 O ATOM 1211 CB ARG A 78 5.236 -46.056 -6.465 1.00 0.00 C ATOM 1212 CG ARG A 78 3.775 -46.333 -6.778 1.00 0.00 C ATOM 1213 CD ARG A 78 3.536 -46.441 -8.276 1.00 0.00 C ATOM 1214 NE ARG A 78 3.211 -45.148 -8.872 1.00 0.00 N ATOM 1215 CZ ARG A 78 2.680 -45.010 -10.082 1.00 0.00 C ATOM 1216 NH1 ARG A 78 2.413 -46.079 -10.819 1.00 0.00 N ATOM 1217 NH2 ARG A 78 2.412 -43.799 -10.556 1.00 0.00 N ATOM 0 H ARG A 78 7.255 -44.965 -5.560 1.00 0.00 H new ATOM 0 HA ARG A 78 4.779 -45.455 -4.453 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.517 -45.099 -6.903 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.852 -46.818 -6.942 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.467 -47.259 -6.292 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.156 -45.536 -6.366 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.425 -46.849 -8.757 1.00 0.00 H new ATOM 0 HD3 ARG A 78 2.723 -47.142 -8.464 1.00 0.00 H new ATOM 0 HE ARG A 78 3.402 -44.305 -8.330 1.00 0.00 H new ATOM 0 HH11 ARG A 78 2.615 -47.011 -10.458 1.00 0.00 H new ATOM 0 HH12 ARG A 78 2.005 -45.969 -11.748 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.614 -42.974 -9.991 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.004 -43.694 -11.485 1.00 0.00 H new ATOM 1231 N ASP A 79 6.509 -48.254 -4.855 1.00 0.00 N ATOM 1232 CA ASP A 79 6.620 -49.635 -4.402 1.00 0.00 C ATOM 1233 C ASP A 79 6.434 -49.728 -2.890 1.00 0.00 C ATOM 1234 O ASP A 79 5.730 -50.608 -2.394 1.00 0.00 O ATOM 1235 CB ASP A 79 7.978 -50.217 -4.797 1.00 0.00 C ATOM 1236 CG ASP A 79 7.998 -51.732 -4.738 1.00 0.00 C ATOM 1237 OD1 ASP A 79 6.935 -52.349 -4.959 1.00 0.00 O ATOM 1238 OD2 ASP A 79 9.077 -52.300 -4.471 1.00 0.00 O ATOM 0 H ASP A 79 7.222 -47.972 -5.528 1.00 0.00 H new ATOM 0 HA ASP A 79 5.832 -50.213 -4.884 1.00 0.00 H new ATOM 0 HB2 ASP A 79 8.229 -49.892 -5.807 1.00 0.00 H new ATOM 0 HB3 ASP A 79 8.747 -49.820 -4.134 1.00 0.00 H new ATOM 1243 N SER A 80 7.070 -48.814 -2.164 1.00 0.00 N ATOM 1244 CA SER A 80 6.979 -48.795 -0.709 1.00 0.00 C ATOM 1245 C SER A 80 5.574 -48.406 -0.257 1.00 0.00 C ATOM 1246 O SER A 80 5.033 -48.978 0.690 1.00 0.00 O ATOM 1247 CB SER A 80 8.003 -47.820 -0.125 1.00 0.00 C ATOM 1248 OG SER A 80 8.455 -48.255 1.146 1.00 0.00 O ATOM 0 H SER A 80 7.654 -48.077 -2.560 1.00 0.00 H new ATOM 0 HA SER A 80 7.195 -49.799 -0.343 1.00 0.00 H new ATOM 0 HB2 SER A 80 8.851 -47.728 -0.804 1.00 0.00 H new ATOM 0 HB3 SER A 80 7.557 -46.829 -0.036 1.00 0.00 H new ATOM 0 HG SER A 80 9.110 -47.616 1.497 1.00 0.00 H new ATOM 1254 N PHE A 81 4.988 -47.430 -0.943 1.00 0.00 N ATOM 1255 CA PHE A 81 3.647 -46.963 -0.613 1.00 0.00 C ATOM 1256 C PHE A 81 2.625 -48.083 -0.778 1.00 0.00 C ATOM 1257 O PHE A 81 1.962 -48.481 0.181 1.00 0.00 O ATOM 1258 CB PHE A 81 3.266 -45.774 -1.498 1.00 0.00 C ATOM 1259 CG PHE A 81 1.789 -45.658 -1.742 1.00 0.00 C ATOM 1260 CD1 PHE A 81 0.950 -45.145 -0.766 1.00 0.00 C ATOM 1261 CD2 PHE A 81 1.238 -46.063 -2.948 1.00 0.00 C ATOM 1262 CE1 PHE A 81 -0.410 -45.036 -0.988 1.00 0.00 C ATOM 1263 CE2 PHE A 81 -0.121 -45.957 -3.175 1.00 0.00 C ATOM 1264 CZ PHE A 81 -0.946 -45.443 -2.193 1.00 0.00 C ATOM 0 H PHE A 81 5.421 -46.948 -1.731 1.00 0.00 H new ATOM 0 HA PHE A 81 3.646 -46.646 0.430 1.00 0.00 H new ATOM 0 HB2 PHE A 81 3.622 -44.855 -1.032 1.00 0.00 H new ATOM 0 HB3 PHE A 81 3.778 -45.865 -2.456 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.364 -44.826 0.179 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.878 -46.466 -3.719 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -1.053 -44.633 -0.219 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -0.538 -46.276 -4.119 1.00 0.00 H new ATOM 0 HZ PHE A 81 -2.008 -45.360 -2.368 1.00 0.00 H new ATOM 1274 N HIS A 82 2.502 -48.588 -2.002 1.00 0.00 N ATOM 1275 CA HIS A 82 1.560 -49.663 -2.294 1.00 0.00 C ATOM 1276 C HIS A 82 1.896 -50.914 -1.487 1.00 0.00 C ATOM 1277 O HIS A 82 1.004 -51.609 -1.002 1.00 0.00 O ATOM 1278 CB HIS A 82 1.572 -49.988 -3.788 1.00 0.00 C ATOM 1279 CG HIS A 82 0.628 -49.146 -4.591 1.00 0.00 C ATOM 1280 ND1 HIS A 82 1.028 -48.393 -5.675 1.00 0.00 N ATOM 1281 CD2 HIS A 82 -0.704 -48.943 -4.464 1.00 0.00 C ATOM 1282 CE1 HIS A 82 -0.018 -47.761 -6.179 1.00 0.00 C ATOM 1283 NE2 HIS A 82 -1.081 -48.078 -5.462 1.00 0.00 N ATOM 0 H HIS A 82 3.042 -48.270 -2.807 1.00 0.00 H new ATOM 0 HA HIS A 82 0.563 -49.326 -2.011 1.00 0.00 H new ATOM 0 HB2 HIS A 82 2.583 -49.854 -4.173 1.00 0.00 H new ATOM 0 HB3 HIS A 82 1.316 -51.039 -3.925 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -1.350 -49.380 -3.717 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -0.005 -47.098 -7.032 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -2.028 -47.736 -5.623 1.00 0.00 H new ATOM 1291 N ARG A 83 3.188 -51.194 -1.349 1.00 0.00 N ATOM 1292 CA ARG A 83 3.641 -52.361 -0.603 1.00 0.00 C ATOM 1293 C ARG A 83 3.031 -52.383 0.796 1.00 0.00 C ATOM 1294 O ARG A 83 2.750 -53.449 1.345 1.00 0.00 O ATOM 1295 CB ARG A 83 5.168 -52.370 -0.505 1.00 0.00 C ATOM 1296 CG ARG A 83 5.707 -53.352 0.523 1.00 0.00 C ATOM 1297 CD ARG A 83 7.227 -53.365 0.536 1.00 0.00 C ATOM 1298 NE ARG A 83 7.775 -54.335 -0.408 1.00 0.00 N ATOM 1299 CZ ARG A 83 9.019 -54.289 -0.871 1.00 0.00 C ATOM 1300 NH1 ARG A 83 9.841 -53.325 -0.478 1.00 0.00 N ATOM 1301 NH2 ARG A 83 9.444 -55.209 -1.728 1.00 0.00 N ATOM 0 H ARG A 83 3.939 -50.628 -1.744 1.00 0.00 H new ATOM 0 HA ARG A 83 3.313 -53.252 -1.138 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.585 -52.615 -1.482 1.00 0.00 H new ATOM 0 HB3 ARG A 83 5.513 -51.367 -0.253 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.336 -53.085 1.512 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.335 -54.353 0.302 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.600 -52.371 0.291 1.00 0.00 H new ATOM 0 HD3 ARG A 83 7.579 -53.599 1.541 1.00 0.00 H new ATOM 0 HE ARG A 83 7.169 -55.090 -0.730 1.00 0.00 H new ATOM 0 HH11 ARG A 83 9.518 -52.617 0.181 1.00 0.00 H new ATOM 0 HH12 ARG A 83 10.796 -53.292 -0.835 1.00 0.00 H new ATOM 0 HH21 ARG A 83 8.815 -55.952 -2.032 1.00 0.00 H new ATOM 0 HH22 ARG A 83 10.400 -55.173 -2.083 1.00 0.00 H new ATOM 1315 N HIS A 84 2.829 -51.200 1.367 1.00 0.00 N ATOM 1316 CA HIS A 84 2.252 -51.083 2.701 1.00 0.00 C ATOM 1317 C HIS A 84 0.737 -50.923 2.626 1.00 0.00 C ATOM 1318 O HIS A 84 -0.007 -51.632 3.304 1.00 0.00 O ATOM 1319 CB HIS A 84 2.866 -49.895 3.443 1.00 0.00 C ATOM 1320 CG HIS A 84 1.954 -49.292 4.467 1.00 0.00 C ATOM 1321 ND1 HIS A 84 2.138 -49.450 5.824 1.00 0.00 N ATOM 1322 CD2 HIS A 84 0.847 -48.527 4.325 1.00 0.00 C ATOM 1323 CE1 HIS A 84 1.183 -48.808 6.473 1.00 0.00 C ATOM 1324 NE2 HIS A 84 0.386 -48.239 5.586 1.00 0.00 N ATOM 0 H HIS A 84 3.056 -50.309 0.926 1.00 0.00 H new ATOM 0 HA HIS A 84 2.476 -51.999 3.248 1.00 0.00 H new ATOM 0 HB2 HIS A 84 3.785 -50.218 3.932 1.00 0.00 H new ATOM 0 HB3 HIS A 84 3.143 -49.129 2.719 1.00 0.00 H new ATOM 0 HD1 HIS A 84 2.893 -49.980 6.259 1.00 0.00 H new ATOM 0 HD2 HIS A 84 0.408 -48.203 3.393 1.00 0.00 H new ATOM 0 HE1 HIS A 84 1.073 -48.757 7.546 1.00 0.00 H new ATOM 1332 N VAL A 85 0.286 -49.987 1.797 1.00 0.00 N ATOM 1333 CA VAL A 85 -1.141 -49.734 1.633 1.00 0.00 C ATOM 1334 C VAL A 85 -1.897 -51.024 1.335 1.00 0.00 C ATOM 1335 O VAL A 85 -2.995 -51.246 1.845 1.00 0.00 O ATOM 1336 CB VAL A 85 -1.405 -48.723 0.502 1.00 0.00 C ATOM 1337 CG1 VAL A 85 -2.872 -48.321 0.477 1.00 0.00 C ATOM 1338 CG2 VAL A 85 -0.511 -47.503 0.659 1.00 0.00 C ATOM 0 H VAL A 85 0.888 -49.391 1.228 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.499 -49.316 2.574 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.167 -49.198 -0.450 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.040 -47.606 -0.329 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.489 -49.205 0.312 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.140 -47.864 1.429 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.711 -46.799 -0.149 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.714 -47.024 1.617 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.534 -47.811 0.622 1.00 0.00 H new ATOM 1348 N THR A 86 -1.301 -51.874 0.504 1.00 0.00 N ATOM 1349 CA THR A 86 -1.917 -53.143 0.137 1.00 0.00 C ATOM 1350 C THR A 86 -2.365 -53.915 1.372 1.00 0.00 C ATOM 1351 O THR A 86 -3.305 -54.707 1.314 1.00 0.00 O ATOM 1352 CB THR A 86 -0.952 -54.020 -0.682 1.00 0.00 C ATOM 1353 OG1 THR A 86 -1.692 -54.881 -1.554 1.00 0.00 O ATOM 1354 CG2 THR A 86 -0.071 -54.855 0.235 1.00 0.00 C ATOM 0 H THR A 86 -0.392 -51.706 0.073 1.00 0.00 H new ATOM 0 HA THR A 86 -2.788 -52.906 -0.474 1.00 0.00 H new ATOM 0 HB THR A 86 -0.315 -53.364 -1.275 1.00 0.00 H new ATOM 0 HG1 THR A 86 -1.071 -55.434 -2.072 1.00 0.00 H new ATOM 0 HG21 THR A 86 0.603 -55.467 -0.365 1.00 0.00 H new ATOM 0 HG22 THR A 86 0.513 -54.196 0.878 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.696 -55.502 0.851 1.00 0.00 H new ATOM 1362 N SER A 87 -1.686 -53.678 2.490 1.00 0.00 N ATOM 1363 CA SER A 87 -2.013 -54.355 3.740 1.00 0.00 C ATOM 1364 C SER A 87 -2.799 -53.433 4.668 1.00 0.00 C ATOM 1365 O SER A 87 -3.779 -53.846 5.289 1.00 0.00 O ATOM 1366 CB SER A 87 -0.736 -54.829 4.437 1.00 0.00 C ATOM 1367 OG SER A 87 -1.037 -55.671 5.536 1.00 0.00 O ATOM 0 H SER A 87 -0.907 -53.023 2.556 1.00 0.00 H new ATOM 0 HA SER A 87 -2.633 -55.220 3.504 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.107 -55.365 3.726 1.00 0.00 H new ATOM 0 HB3 SER A 87 -0.164 -53.967 4.781 1.00 0.00 H new ATOM 0 HG SER A 87 -0.204 -55.961 5.963 1.00 0.00 H new ATOM 1373 N CYS A 88 -2.362 -52.181 4.757 1.00 0.00 N ATOM 1374 CA CYS A 88 -3.022 -51.199 5.608 1.00 0.00 C ATOM 1375 C CYS A 88 -4.512 -51.118 5.290 1.00 0.00 C ATOM 1376 O CYS A 88 -5.305 -50.631 6.096 1.00 0.00 O ATOM 1377 CB CYS A 88 -2.376 -49.823 5.431 1.00 0.00 C ATOM 1378 SG CYS A 88 -2.923 -48.583 6.647 1.00 0.00 S ATOM 0 H CYS A 88 -1.553 -51.823 4.250 1.00 0.00 H new ATOM 0 HA CYS A 88 -2.906 -51.517 6.644 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -1.293 -49.930 5.499 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -2.597 -49.456 4.429 1.00 0.00 H new ATOM 1383 N THR A 89 -4.887 -51.600 4.109 1.00 0.00 N ATOM 1384 CA THR A 89 -6.281 -51.582 3.684 1.00 0.00 C ATOM 1385 C THR A 89 -6.996 -52.866 4.090 1.00 0.00 C ATOM 1386 O THR A 89 -8.113 -52.829 4.606 1.00 0.00 O ATOM 1387 CB THR A 89 -6.400 -51.402 2.159 1.00 0.00 C ATOM 1388 OG1 THR A 89 -5.563 -50.325 1.726 1.00 0.00 O ATOM 1389 CG2 THR A 89 -7.841 -51.124 1.758 1.00 0.00 C ATOM 0 H THR A 89 -4.244 -52.008 3.430 1.00 0.00 H new ATOM 0 HA THR A 89 -6.753 -50.734 4.181 1.00 0.00 H new ATOM 0 HB THR A 89 -6.078 -52.327 1.680 1.00 0.00 H new ATOM 0 HG1 THR A 89 -4.645 -50.649 1.615 1.00 0.00 H new ATOM 0 HG21 THR A 89 -7.900 -51.000 0.677 1.00 0.00 H new ATOM 0 HG22 THR A 89 -8.471 -51.959 2.063 1.00 0.00 H new ATOM 0 HG23 THR A 89 -8.185 -50.213 2.247 1.00 0.00 H new ATOM 1397 N LYS A 90 -6.346 -54.000 3.855 1.00 0.00 N ATOM 1398 CA LYS A 90 -6.918 -55.296 4.198 1.00 0.00 C ATOM 1399 C LYS A 90 -7.727 -55.210 5.489 1.00 0.00 C ATOM 1400 O LYS A 90 -8.914 -55.533 5.512 1.00 0.00 O ATOM 1401 CB LYS A 90 -5.811 -56.343 4.347 1.00 0.00 C ATOM 1402 CG LYS A 90 -5.379 -56.962 3.029 1.00 0.00 C ATOM 1403 CD LYS A 90 -4.155 -57.845 3.202 1.00 0.00 C ATOM 1404 CE LYS A 90 -4.543 -59.271 3.564 1.00 0.00 C ATOM 1405 NZ LYS A 90 -4.637 -59.463 5.037 1.00 0.00 N ATOM 0 H LYS A 90 -5.421 -54.048 3.428 1.00 0.00 H new ATOM 0 HA LYS A 90 -7.586 -55.595 3.390 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -4.946 -55.880 4.822 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -6.157 -57.133 5.014 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -6.198 -57.551 2.617 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -5.161 -56.173 2.310 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -3.574 -57.848 2.280 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -3.514 -57.432 3.981 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -5.501 -59.515 3.104 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -3.807 -59.963 3.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -4.049 -60.273 5.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -4.301 -58.606 5.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -5.626 -59.644 5.301 1.00 0.00 H new ATOM 1419 N SER A 91 -7.076 -54.769 6.561 1.00 0.00 N ATOM 1420 CA SER A 91 -7.734 -54.642 7.856 1.00 0.00 C ATOM 1421 C SER A 91 -8.950 -53.726 7.760 1.00 0.00 C ATOM 1422 O SER A 91 -10.028 -54.053 8.257 1.00 0.00 O ATOM 1423 CB SER A 91 -6.754 -54.099 8.899 1.00 0.00 C ATOM 1424 OG SER A 91 -5.931 -55.132 9.411 1.00 0.00 O ATOM 0 H SER A 91 -6.094 -54.494 6.558 1.00 0.00 H new ATOM 0 HA SER A 91 -8.070 -55.632 8.164 1.00 0.00 H new ATOM 0 HB2 SER A 91 -6.133 -53.324 8.450 1.00 0.00 H new ATOM 0 HB3 SER A 91 -7.307 -53.632 9.714 1.00 0.00 H new ATOM 0 HG SER A 91 -5.313 -54.759 10.074 1.00 0.00 H new ATOM 1430 N TYR A 92 -8.769 -52.578 7.116 1.00 0.00 N ATOM 1431 CA TYR A 92 -9.850 -51.613 6.956 1.00 0.00 C ATOM 1432 C TYR A 92 -11.055 -52.253 6.274 1.00 0.00 C ATOM 1433 O TYR A 92 -12.201 -51.983 6.633 1.00 0.00 O ATOM 1434 CB TYR A 92 -9.370 -50.409 6.144 1.00 0.00 C ATOM 1435 CG TYR A 92 -10.438 -49.361 5.927 1.00 0.00 C ATOM 1436 CD1 TYR A 92 -11.522 -49.607 5.094 1.00 0.00 C ATOM 1437 CD2 TYR A 92 -10.363 -48.124 6.556 1.00 0.00 C ATOM 1438 CE1 TYR A 92 -12.500 -48.652 4.892 1.00 0.00 C ATOM 1439 CE2 TYR A 92 -11.337 -47.163 6.361 1.00 0.00 C ATOM 1440 CZ TYR A 92 -12.403 -47.432 5.528 1.00 0.00 C ATOM 1441 OH TYR A 92 -13.374 -46.477 5.331 1.00 0.00 O ATOM 0 H TYR A 92 -7.884 -52.293 6.696 1.00 0.00 H new ATOM 0 HA TYR A 92 -10.153 -51.277 7.948 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -8.522 -49.952 6.654 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -9.010 -50.755 5.175 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -11.602 -50.562 4.595 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -9.529 -47.910 7.208 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -13.335 -48.860 4.240 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -11.264 -46.207 6.858 1.00 0.00 H new ATOM 0 HH TYR A 92 -13.156 -45.676 5.852 1.00 0.00 H new ATOM 1451 N GLU A 93 -10.786 -53.104 5.288 1.00 0.00 N ATOM 1452 CA GLU A 93 -11.848 -53.783 4.554 1.00 0.00 C ATOM 1453 C GLU A 93 -12.632 -54.717 5.472 1.00 0.00 C ATOM 1454 O GLU A 93 -13.835 -54.909 5.299 1.00 0.00 O ATOM 1455 CB GLU A 93 -11.264 -54.574 3.382 1.00 0.00 C ATOM 1456 CG GLU A 93 -10.961 -53.720 2.163 1.00 0.00 C ATOM 1457 CD GLU A 93 -10.289 -54.505 1.053 1.00 0.00 C ATOM 1458 OE1 GLU A 93 -10.939 -55.413 0.493 1.00 0.00 O ATOM 1459 OE2 GLU A 93 -9.115 -54.212 0.745 1.00 0.00 O ATOM 0 H GLU A 93 -9.843 -53.339 4.979 1.00 0.00 H new ATOM 0 HA GLU A 93 -12.529 -53.025 4.167 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -10.347 -55.066 3.707 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -11.965 -55.360 3.100 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -11.888 -53.288 1.787 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -10.318 -52.890 2.456 1.00 0.00 H new ATOM 1466 N ALA A 94 -11.940 -55.295 6.449 1.00 0.00 N ATOM 1467 CA ALA A 94 -12.570 -56.207 7.395 1.00 0.00 C ATOM 1468 C ALA A 94 -13.352 -55.442 8.457 1.00 0.00 C ATOM 1469 O ALA A 94 -14.310 -55.961 9.030 1.00 0.00 O ATOM 1470 CB ALA A 94 -11.523 -57.098 8.047 1.00 0.00 C ATOM 0 H ALA A 94 -10.943 -55.147 6.606 1.00 0.00 H new ATOM 0 HA ALA A 94 -13.272 -56.833 6.845 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -12.008 -57.774 8.751 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -11.011 -57.679 7.280 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -10.799 -56.480 8.578 1.00 0.00 H new ATOM 1476 N ALA A 95 -12.937 -54.207 8.716 1.00 0.00 N ATOM 1477 CA ALA A 95 -13.600 -53.370 9.709 1.00 0.00 C ATOM 1478 C ALA A 95 -14.941 -52.862 9.191 1.00 0.00 C ATOM 1479 O ALA A 95 -15.991 -53.155 9.763 1.00 0.00 O ATOM 1480 CB ALA A 95 -12.705 -52.203 10.098 1.00 0.00 C ATOM 0 H ALA A 95 -12.144 -53.763 8.252 1.00 0.00 H new ATOM 0 HA ALA A 95 -13.789 -53.978 10.593 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -13.213 -51.587 10.840 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -11.774 -52.583 10.518 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -12.486 -51.602 9.215 1.00 0.00 H new ATOM 1486 N LYS A 96 -14.899 -52.096 8.106 1.00 0.00 N ATOM 1487 CA LYS A 96 -16.110 -51.546 7.510 1.00 0.00 C ATOM 1488 C LYS A 96 -17.179 -52.624 7.357 1.00 0.00 C ATOM 1489 O LYS A 96 -16.894 -53.815 7.476 1.00 0.00 O ATOM 1490 CB LYS A 96 -15.797 -50.927 6.146 1.00 0.00 C ATOM 1491 CG LYS A 96 -15.612 -51.952 5.040 1.00 0.00 C ATOM 1492 CD LYS A 96 -15.685 -51.309 3.666 1.00 0.00 C ATOM 1493 CE LYS A 96 -15.145 -52.236 2.587 1.00 0.00 C ATOM 1494 NZ LYS A 96 -15.644 -51.862 1.235 1.00 0.00 N ATOM 0 H LYS A 96 -14.038 -51.842 7.621 1.00 0.00 H new ATOM 0 HA LYS A 96 -16.492 -50.771 8.175 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -16.605 -50.249 5.870 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -14.891 -50.326 6.228 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -14.649 -52.448 5.160 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -16.379 -52.722 5.124 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -16.719 -51.049 3.439 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -15.115 -50.380 3.667 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.055 -52.205 2.593 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -15.436 -53.262 2.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -15.254 -52.517 0.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -16.683 -51.916 1.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -15.345 -50.892 1.011 1.00 0.00 H new ATOM 1508 N ALA A 97 -18.409 -52.197 7.090 1.00 0.00 N ATOM 1509 CA ALA A 97 -19.519 -53.126 6.917 1.00 0.00 C ATOM 1510 C ALA A 97 -19.821 -53.868 8.215 1.00 0.00 C ATOM 1511 O ALA A 97 -20.143 -55.056 8.200 1.00 0.00 O ATOM 1512 CB ALA A 97 -19.212 -54.114 5.802 1.00 0.00 C ATOM 0 H ALA A 97 -18.662 -51.214 6.989 1.00 0.00 H new ATOM 0 HA ALA A 97 -20.403 -52.550 6.644 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -20.050 -54.801 5.684 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -19.053 -53.572 4.870 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -18.313 -54.677 6.052 1.00 0.00 H new ATOM 1518 N GLU A 98 -19.715 -53.160 9.335 1.00 0.00 N ATOM 1519 CA GLU A 98 -19.975 -53.754 10.641 1.00 0.00 C ATOM 1520 C GLU A 98 -21.397 -54.302 10.716 1.00 0.00 C ATOM 1521 O GLU A 98 -21.614 -55.437 11.139 1.00 0.00 O ATOM 1522 CB GLU A 98 -19.756 -52.721 11.749 1.00 0.00 C ATOM 1523 CG GLU A 98 -18.304 -52.587 12.177 1.00 0.00 C ATOM 1524 CD GLU A 98 -18.151 -51.859 13.498 1.00 0.00 C ATOM 1525 OE1 GLU A 98 -18.630 -50.710 13.601 1.00 0.00 O ATOM 1526 OE2 GLU A 98 -17.553 -52.438 14.429 1.00 0.00 O ATOM 0 H GLU A 98 -19.451 -52.175 9.364 1.00 0.00 H new ATOM 0 HA GLU A 98 -19.278 -54.580 10.781 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -20.116 -51.751 11.406 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -20.358 -52.996 12.615 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -17.860 -53.579 12.260 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -17.749 -52.053 11.406 1.00 0.00 H new ATOM 1533 N GLN A 99 -22.362 -53.487 10.301 1.00 0.00 N ATOM 1534 CA GLN A 99 -23.763 -53.889 10.322 1.00 0.00 C ATOM 1535 C GLN A 99 -24.080 -54.820 9.156 1.00 0.00 C ATOM 1536 O GLN A 99 -24.744 -55.841 9.328 1.00 0.00 O ATOM 1537 CB GLN A 99 -24.670 -52.658 10.268 1.00 0.00 C ATOM 1538 CG GLN A 99 -24.424 -51.774 9.057 1.00 0.00 C ATOM 1539 CD GLN A 99 -25.351 -50.575 9.011 1.00 0.00 C ATOM 1540 OE1 GLN A 99 -26.313 -50.548 8.243 1.00 0.00 O ATOM 1541 NE2 GLN A 99 -25.065 -49.574 9.836 1.00 0.00 N ATOM 0 H GLN A 99 -22.199 -52.545 9.946 1.00 0.00 H new ATOM 0 HA GLN A 99 -23.946 -54.426 11.253 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -25.710 -52.983 10.265 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -24.523 -52.069 11.173 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -23.390 -51.429 9.068 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -24.554 -52.364 8.149 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -24.257 -49.639 10.456 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -25.653 -48.741 9.850 1.00 0.00 H new ATOM 1550 N ASN A 100 -23.600 -54.459 7.970 1.00 0.00 N ATOM 1551 CA ASN A 100 -23.834 -55.262 6.775 1.00 0.00 C ATOM 1552 C ASN A 100 -23.462 -56.721 7.019 1.00 0.00 C ATOM 1553 O ASN A 100 -24.224 -57.631 6.692 1.00 0.00 O ATOM 1554 CB ASN A 100 -23.027 -54.708 5.598 1.00 0.00 C ATOM 1555 CG ASN A 100 -23.764 -53.607 4.860 1.00 0.00 C ATOM 1556 OD1 ASN A 100 -24.507 -53.868 3.914 1.00 0.00 O ATOM 1557 ND2 ASN A 100 -23.560 -52.368 5.291 1.00 0.00 N ATOM 0 H ASN A 100 -23.047 -53.617 7.811 1.00 0.00 H new ATOM 0 HA ASN A 100 -24.896 -55.212 6.535 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -22.075 -54.323 5.963 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -22.799 -55.517 4.904 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -24.028 -51.585 4.834 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -22.935 -52.199 6.079 1.00 0.00 H new ATOM 1564 N THR A 101 -22.284 -56.937 7.597 1.00 0.00 N ATOM 1565 CA THR A 101 -21.810 -58.285 7.885 1.00 0.00 C ATOM 1566 C THR A 101 -21.976 -58.623 9.362 1.00 0.00 C ATOM 1567 O THR A 101 -21.801 -57.766 10.229 1.00 0.00 O ATOM 1568 CB THR A 101 -20.330 -58.456 7.494 1.00 0.00 C ATOM 1569 OG1 THR A 101 -20.126 -58.021 6.145 1.00 0.00 O ATOM 1570 CG2 THR A 101 -19.896 -59.907 7.635 1.00 0.00 C ATOM 0 H THR A 101 -21.641 -56.195 7.875 1.00 0.00 H new ATOM 0 HA THR A 101 -22.417 -58.967 7.289 1.00 0.00 H new ATOM 0 HB THR A 101 -19.727 -57.846 8.167 1.00 0.00 H new ATOM 0 HG1 THR A 101 -19.182 -58.131 5.905 1.00 0.00 H new ATOM 0 HG21 THR A 101 -18.847 -60.002 7.353 1.00 0.00 H new ATOM 0 HG22 THR A 101 -20.024 -60.226 8.669 1.00 0.00 H new ATOM 0 HG23 THR A 101 -20.505 -60.534 6.984 1.00 0.00 H new ATOM 1578 N THR A 102 -22.313 -59.877 9.643 1.00 0.00 N ATOM 1579 CA THR A 102 -22.503 -60.328 11.016 1.00 0.00 C ATOM 1580 C THR A 102 -21.234 -60.135 11.839 1.00 0.00 C ATOM 1581 O THR A 102 -20.421 -61.050 11.965 1.00 0.00 O ATOM 1582 CB THR A 102 -22.915 -61.812 11.069 1.00 0.00 C ATOM 1583 OG1 THR A 102 -24.034 -62.040 10.205 1.00 0.00 O ATOM 1584 CG2 THR A 102 -23.271 -62.224 12.489 1.00 0.00 C ATOM 0 H THR A 102 -22.460 -60.599 8.938 1.00 0.00 H new ATOM 0 HA THR A 102 -23.303 -59.721 11.439 1.00 0.00 H new ATOM 0 HB THR A 102 -22.070 -62.414 10.735 1.00 0.00 H new ATOM 0 HG1 THR A 102 -24.289 -62.985 10.243 1.00 0.00 H new ATOM 0 HG21 THR A 102 -23.559 -63.275 12.502 1.00 0.00 H new ATOM 0 HG22 THR A 102 -22.408 -62.076 13.138 1.00 0.00 H new ATOM 0 HG23 THR A 102 -24.102 -61.616 12.847 1.00 0.00 H new ATOM 1592 N GLU A 103 -21.072 -58.939 12.396 1.00 0.00 N ATOM 1593 CA GLU A 103 -19.900 -58.628 13.207 1.00 0.00 C ATOM 1594 C GLU A 103 -20.302 -57.898 14.486 1.00 0.00 C ATOM 1595 O GLU A 103 -20.591 -56.702 14.466 1.00 0.00 O ATOM 1596 CB GLU A 103 -18.913 -57.775 12.409 1.00 0.00 C ATOM 1597 CG GLU A 103 -18.052 -58.578 11.448 1.00 0.00 C ATOM 1598 CD GLU A 103 -16.974 -57.739 10.789 1.00 0.00 C ATOM 1599 OE1 GLU A 103 -15.881 -57.609 11.380 1.00 0.00 O ATOM 1600 OE2 GLU A 103 -17.222 -57.213 9.685 1.00 0.00 O ATOM 0 H GLU A 103 -21.736 -58.171 12.301 1.00 0.00 H new ATOM 0 HA GLU A 103 -19.419 -59.567 13.481 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -19.467 -57.024 11.846 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -18.265 -57.239 13.103 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -17.586 -59.403 11.986 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -18.686 -59.017 10.678 1.00 0.00 H new ATOM 1607 N ALA A 104 -20.318 -58.628 15.596 1.00 0.00 N ATOM 1608 CA ALA A 104 -20.682 -58.052 16.884 1.00 0.00 C ATOM 1609 C ALA A 104 -19.490 -57.354 17.530 1.00 0.00 C ATOM 1610 O ALA A 104 -18.355 -57.819 17.426 1.00 0.00 O ATOM 1611 CB ALA A 104 -21.231 -59.129 17.809 1.00 0.00 C ATOM 0 H ALA A 104 -20.083 -59.620 15.629 1.00 0.00 H new ATOM 0 HA ALA A 104 -21.458 -57.306 16.714 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -21.499 -58.684 18.767 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -22.116 -59.579 17.358 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -20.473 -59.896 17.965 1.00 0.00 H new ATOM 1617 N SER A 105 -19.755 -56.235 18.197 1.00 0.00 N ATOM 1618 CA SER A 105 -18.703 -55.471 18.857 1.00 0.00 C ATOM 1619 C SER A 105 -18.913 -55.449 20.368 1.00 0.00 C ATOM 1620 O SER A 105 -19.820 -56.096 20.889 1.00 0.00 O ATOM 1621 CB SER A 105 -18.666 -54.041 18.314 1.00 0.00 C ATOM 1622 OG SER A 105 -19.939 -53.425 18.412 1.00 0.00 O ATOM 0 H SER A 105 -20.689 -55.838 18.295 1.00 0.00 H new ATOM 0 HA SER A 105 -17.750 -55.956 18.648 1.00 0.00 H new ATOM 0 HB2 SER A 105 -17.932 -53.457 18.869 1.00 0.00 H new ATOM 0 HB3 SER A 105 -18.343 -54.052 17.273 1.00 0.00 H new ATOM 0 HG SER A 105 -19.888 -52.512 18.060 1.00 0.00 H new ATOM 1628 N GLY A 106 -18.067 -54.697 21.066 1.00 0.00 N ATOM 1629 CA GLY A 106 -18.176 -54.603 22.510 1.00 0.00 C ATOM 1630 C GLY A 106 -17.353 -53.465 23.081 1.00 0.00 C ATOM 1631 O GLY A 106 -17.885 -52.506 23.640 1.00 0.00 O ATOM 0 H GLY A 106 -17.308 -54.151 20.657 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -19.222 -54.464 22.784 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -17.851 -55.542 22.958 1.00 0.00 H new ATOM 1635 N PRO A 107 -16.023 -53.565 22.943 1.00 0.00 N ATOM 1636 CA PRO A 107 -15.097 -52.545 23.444 1.00 0.00 C ATOM 1637 C PRO A 107 -15.180 -51.246 22.650 1.00 0.00 C ATOM 1638 O PRO A 107 -14.373 -50.336 22.843 1.00 0.00 O ATOM 1639 CB PRO A 107 -13.722 -53.195 23.264 1.00 0.00 C ATOM 1640 CG PRO A 107 -13.909 -54.176 22.159 1.00 0.00 C ATOM 1641 CD PRO A 107 -15.320 -54.680 22.287 1.00 0.00 C ATOM 0 HA PRO A 107 -15.319 -52.263 24.473 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -12.964 -52.454 23.011 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -13.394 -53.687 24.179 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -13.749 -53.706 21.189 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -13.194 -54.994 22.239 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -15.754 -54.912 21.314 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -15.369 -55.592 22.883 1.00 0.00 H new ATOM 1649 N SER A 108 -16.161 -51.166 21.757 1.00 0.00 N ATOM 1650 CA SER A 108 -16.348 -49.978 20.931 1.00 0.00 C ATOM 1651 C SER A 108 -15.837 -48.732 21.648 1.00 0.00 C ATOM 1652 O SER A 108 -16.153 -48.501 22.815 1.00 0.00 O ATOM 1653 CB SER A 108 -17.825 -49.806 20.574 1.00 0.00 C ATOM 1654 OG SER A 108 -18.601 -49.541 21.730 1.00 0.00 O ATOM 0 H SER A 108 -16.839 -51.909 21.587 1.00 0.00 H new ATOM 0 HA SER A 108 -15.774 -50.109 20.014 1.00 0.00 H new ATOM 0 HB2 SER A 108 -17.937 -48.989 19.861 1.00 0.00 H new ATOM 0 HB3 SER A 108 -18.192 -50.708 20.085 1.00 0.00 H new ATOM 0 HG SER A 108 -18.020 -49.204 22.444 1.00 0.00 H new ATOM 1660 N SER A 109 -15.046 -47.932 20.941 1.00 0.00 N ATOM 1661 CA SER A 109 -14.488 -46.711 21.509 1.00 0.00 C ATOM 1662 C SER A 109 -14.718 -45.524 20.579 1.00 0.00 C ATOM 1663 O SER A 109 -14.418 -45.587 19.388 1.00 0.00 O ATOM 1664 CB SER A 109 -12.991 -46.884 21.773 1.00 0.00 C ATOM 1665 OG SER A 109 -12.398 -45.660 22.172 1.00 0.00 O ATOM 0 H SER A 109 -14.777 -48.108 19.973 1.00 0.00 H new ATOM 0 HA SER A 109 -14.996 -46.514 22.453 1.00 0.00 H new ATOM 0 HB2 SER A 109 -12.840 -47.635 22.549 1.00 0.00 H new ATOM 0 HB3 SER A 109 -12.500 -47.253 20.872 1.00 0.00 H new ATOM 0 HG SER A 109 -11.442 -45.798 22.336 1.00 0.00 H new ATOM 1671 N GLY A 110 -15.254 -44.441 21.134 1.00 0.00 N ATOM 1672 CA GLY A 110 -15.516 -43.254 20.341 1.00 0.00 C ATOM 1673 C GLY A 110 -14.287 -42.383 20.176 1.00 0.00 C ATOM 1674 O GLY A 110 -13.176 -42.870 20.381 1.00 0.00 O ATOM 0 H GLY A 110 -15.511 -44.365 22.118 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -15.881 -43.551 19.358 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -16.308 -42.673 20.813 1.00 0.00 H new TER 1678 GLY A 110 HETATM 1679 ZN ZN A 200 8.328 2.754 9.027 1.00 0.00 ZN HETATM 1680 ZN ZN A 300 7.815 -18.791 2.884 1.00 0.00 ZN HETATM 1681 ZN ZN A 400 -1.447 -47.361 5.899 1.00 0.00 ZN