USER MOD reduce.3.24.130724 H: found=0, std=0, add=1188, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1182 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 44 HIS HE2 : A 44 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 49 HIS HE2 : A 49 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 81 HIS HE2 : A 81 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 85 HIS HE2 : A 85 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 111 HIS HE2 : A 111 HIS NE2 : A 601 ZNZN :(H bumps) USER MOD NoAdj-H: A 141 HIS HE2 : A 141 HIS NE2 : A 801 ZNZN :(H bumps) USER MOD NoAdj-H: A 145 HIS HE2 : A 145 HIS NE2 : A 801 ZNZN :(H bumps) USER MOD Set 1.1: A 77 LYS NZ :NH3+ -158:sc= -0.0164 (180deg=-0.11) USER MOD Set 1.2: A 80 ASN : amide:sc= -1.46 K(o=-1.5,f=-2.5!) USER MOD Set 2.1: A 39 HIS : no HD1:sc= -0.0228 X(o=0.26,f=0.043) USER MOD Set 2.2: A 43 THR OG1 : rot 78:sc= 0.286 USER MOD Set 3.1: A 17 LYS NZ :NH3+ 147:sc= -1.63 (180deg=-2.41) USER MOD Set 3.2: A 30 SER OG : rot -150:sc= -0.0597 USER MOD Single : A 1 GLY N :NH3+ -110:sc= 0.0907 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 7:sc= 0.061 USER MOD Single : A 6 SER OG : rot 180:sc= 0.00517 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 152:sc= -0.292 (180deg=-1.02) USER MOD Single : A 12 GLN : amide:sc= -0.225 K(o=-0.22,f=-1.4) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -7.78! C(o=-7.8!,f=-12!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 178:sc= -0.358 (180deg=-0.386) USER MOD Single : A 29 LYS NZ :NH3+ 162:sc= -0.129 (180deg=-0.429) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.00752 USER MOD Single : A 38 MET CE :methyl -176:sc= -3.79 (180deg=-3.83) USER MOD Single : A 46 THR OG1 : rot 69:sc= 1.24 USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -3.78! C(o=-3.8!,f=-7.3!) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= -0.423 X(o=-0.42,f=-0.018) USER MOD Single : A 58 HIS : no HD1:sc= -1.38 K(o=-1.4,f=-2.6) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0.0203 USER MOD Single : A 73 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0016) USER MOD Single : A 75 LYS NZ :NH3+ -130:sc= 0 (180deg=-0.829) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -81:sc= 0.62! USER MOD Single : A 89 LYS NZ :NH3+ -165:sc= -1.86 (180deg=-2.53!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 75:sc= 0.095 USER MOD Single : A 107 ASN : amide:sc= -1.43 K(o=-1.4,f=-6.2!) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ -144:sc= -1.67 (180deg=-3.56!) USER MOD Single : A 114 THR OG1 : rot -45:sc= 0.0415 USER MOD Single : A 115 HIS : no HE2:sc= -13! C(o=-13!,f=-19!) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 ASN : amide:sc= -3.98! C(o=-4!,f=-8!) USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 139 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0265) USER MOD Single : A 140 LYS NZ :NH3+ -124:sc= -0.199 (180deg=-1.08) USER MOD Single : A 142 MET CE :methyl -139:sc= -0.508 (180deg=-2.34!) USER MOD Single : A 143 HIS : no HD1:sc= -7.61! C(o=-7.6!,f=-9.2!) USER MOD Single : A 146 THR OG1 : rot 180:sc= 0 USER MOD Single : A 147 SER OG : rot -76:sc= 0.834 USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 SER OG : rot 180:sc= 0.0532 USER MOD Single : A 153 SER OG : rot 180:sc= 0 USER MOD Single : A 154 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.207 12.097 -67.746 1.00 0.00 N ATOM 2 CA GLY A 1 -3.334 11.442 -67.108 1.00 0.00 C ATOM 3 C GLY A 1 -3.418 11.748 -65.625 1.00 0.00 C ATOM 4 O GLY A 1 -2.512 12.358 -65.058 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.553 12.851 -68.374 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.588 12.509 -67.019 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.671 11.401 -68.303 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.257 11.758 -67.594 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.252 10.364 -67.250 1.00 0.00 H new ATOM 8 N SER A 2 -4.510 11.325 -64.996 1.00 0.00 N ATOM 9 CA SER A 2 -4.712 11.562 -63.572 1.00 0.00 C ATOM 10 C SER A 2 -5.389 10.364 -62.912 1.00 0.00 C ATOM 11 O SER A 2 -5.960 9.510 -63.589 1.00 0.00 O ATOM 12 CB SER A 2 -5.555 12.821 -63.357 1.00 0.00 C ATOM 13 OG SER A 2 -5.406 13.315 -62.037 1.00 0.00 O ATOM 0 H SER A 2 -5.268 10.816 -65.451 1.00 0.00 H new ATOM 0 HA SER A 2 -3.735 11.705 -63.111 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.257 13.588 -64.072 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.604 12.597 -63.549 1.00 0.00 H new ATOM 0 HG SER A 2 -5.953 14.120 -61.925 1.00 0.00 H new ATOM 19 N SER A 3 -5.320 10.310 -61.586 1.00 0.00 N ATOM 20 CA SER A 3 -5.922 9.216 -60.834 1.00 0.00 C ATOM 21 C SER A 3 -6.113 9.603 -59.370 1.00 0.00 C ATOM 22 O SER A 3 -5.455 10.512 -58.866 1.00 0.00 O ATOM 23 CB SER A 3 -5.051 7.962 -60.931 1.00 0.00 C ATOM 24 OG SER A 3 -3.862 8.107 -60.175 1.00 0.00 O ATOM 0 H SER A 3 -4.853 11.011 -61.010 1.00 0.00 H new ATOM 0 HA SER A 3 -6.900 9.006 -61.267 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.611 7.098 -60.572 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.801 7.769 -61.974 1.00 0.00 H new ATOM 0 HG SER A 3 -3.324 7.292 -60.252 1.00 0.00 H new ATOM 30 N GLY A 4 -7.020 8.905 -58.693 1.00 0.00 N ATOM 31 CA GLY A 4 -7.283 9.190 -57.295 1.00 0.00 C ATOM 32 C GLY A 4 -7.043 7.988 -56.403 1.00 0.00 C ATOM 33 O GLY A 4 -6.938 6.860 -56.885 1.00 0.00 O ATOM 0 H GLY A 4 -7.577 8.147 -59.088 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.647 10.013 -56.969 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.315 9.521 -57.183 1.00 0.00 H new ATOM 37 N SER A 5 -6.953 8.229 -55.099 1.00 0.00 N ATOM 38 CA SER A 5 -6.717 7.158 -54.138 1.00 0.00 C ATOM 39 C SER A 5 -7.495 7.403 -52.849 1.00 0.00 C ATOM 40 O SER A 5 -7.865 8.536 -52.541 1.00 0.00 O ATOM 41 CB SER A 5 -5.223 7.040 -53.831 1.00 0.00 C ATOM 42 OG SER A 5 -4.529 6.422 -54.900 1.00 0.00 O ATOM 0 H SER A 5 -7.040 9.157 -54.684 1.00 0.00 H new ATOM 0 HA SER A 5 -7.065 6.224 -54.579 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.807 8.031 -53.648 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.081 6.461 -52.918 1.00 0.00 H new ATOM 0 HG SER A 5 -5.140 6.293 -55.655 1.00 0.00 H new ATOM 48 N SER A 6 -7.741 6.332 -52.101 1.00 0.00 N ATOM 49 CA SER A 6 -8.478 6.429 -50.847 1.00 0.00 C ATOM 50 C SER A 6 -7.772 5.653 -49.740 1.00 0.00 C ATOM 51 O SER A 6 -6.704 5.080 -49.952 1.00 0.00 O ATOM 52 CB SER A 6 -9.903 5.901 -51.027 1.00 0.00 C ATOM 53 OG SER A 6 -10.792 6.509 -50.107 1.00 0.00 O ATOM 0 H SER A 6 -7.441 5.387 -52.342 1.00 0.00 H new ATOM 0 HA SER A 6 -8.521 7.480 -50.559 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.240 6.095 -52.045 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.914 4.820 -50.888 1.00 0.00 H new ATOM 0 HG SER A 6 -11.696 6.156 -50.244 1.00 0.00 H new ATOM 59 N GLY A 7 -8.378 5.639 -48.556 1.00 0.00 N ATOM 60 CA GLY A 7 -7.794 4.931 -47.432 1.00 0.00 C ATOM 61 C GLY A 7 -7.853 5.733 -46.147 1.00 0.00 C ATOM 62 O GLY A 7 -7.175 6.751 -46.013 1.00 0.00 O ATOM 0 H GLY A 7 -9.263 6.105 -48.356 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.317 3.985 -47.291 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.755 4.690 -47.659 1.00 0.00 H new ATOM 66 N GLN A 8 -8.666 5.274 -45.202 1.00 0.00 N ATOM 67 CA GLN A 8 -8.812 5.958 -43.923 1.00 0.00 C ATOM 68 C GLN A 8 -8.047 5.228 -42.824 1.00 0.00 C ATOM 69 O GLN A 8 -7.952 4.001 -42.811 1.00 0.00 O ATOM 70 CB GLN A 8 -10.291 6.067 -43.545 1.00 0.00 C ATOM 71 CG GLN A 8 -10.865 4.788 -42.958 1.00 0.00 C ATOM 72 CD GLN A 8 -12.353 4.646 -43.212 1.00 0.00 C ATOM 73 OE1 GLN A 8 -13.167 5.339 -42.602 1.00 0.00 O ATOM 74 NE2 GLN A 8 -12.716 3.743 -44.116 1.00 0.00 N ATOM 0 H GLN A 8 -9.233 4.432 -45.298 1.00 0.00 H new ATOM 0 HA GLN A 8 -8.395 6.960 -44.026 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -10.414 6.875 -42.824 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -10.865 6.340 -44.431 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.344 3.931 -43.385 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -10.680 4.771 -41.884 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -12.007 3.190 -44.598 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -13.704 3.602 -44.328 1.00 0.00 H new ATOM 83 N PRO A 9 -7.487 5.998 -41.879 1.00 0.00 N ATOM 84 CA PRO A 9 -6.721 5.446 -40.759 1.00 0.00 C ATOM 85 C PRO A 9 -7.603 4.699 -39.765 1.00 0.00 C ATOM 86 O PRO A 9 -8.757 4.385 -40.059 1.00 0.00 O ATOM 87 CB PRO A 9 -6.108 6.686 -40.103 1.00 0.00 C ATOM 88 CG PRO A 9 -7.027 7.800 -40.466 1.00 0.00 C ATOM 89 CD PRO A 9 -7.560 7.468 -41.832 1.00 0.00 C ATOM 0 HA PRO A 9 -5.985 4.714 -41.091 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.037 6.568 -39.022 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -5.098 6.870 -40.470 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -7.837 7.889 -39.742 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -6.500 8.754 -40.474 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -8.582 7.824 -41.962 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -6.961 7.925 -42.619 1.00 0.00 H new ATOM 97 N ILE A 10 -7.054 4.418 -38.588 1.00 0.00 N ATOM 98 CA ILE A 10 -7.793 3.709 -37.551 1.00 0.00 C ATOM 99 C ILE A 10 -8.477 4.685 -36.598 1.00 0.00 C ATOM 100 O ILE A 10 -7.912 5.718 -36.240 1.00 0.00 O ATOM 101 CB ILE A 10 -6.873 2.778 -36.740 1.00 0.00 C ATOM 102 CG1 ILE A 10 -6.160 1.794 -37.670 1.00 0.00 C ATOM 103 CG2 ILE A 10 -7.673 2.031 -35.684 1.00 0.00 C ATOM 104 CD1 ILE A 10 -5.239 0.837 -36.946 1.00 0.00 C ATOM 0 H ILE A 10 -6.100 4.670 -38.329 1.00 0.00 H new ATOM 0 HA ILE A 10 -8.549 3.109 -38.057 1.00 0.00 H new ATOM 0 HB ILE A 10 -6.120 3.384 -36.236 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.906 1.221 -38.220 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -5.583 2.355 -38.405 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -7.009 1.377 -35.119 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -8.139 2.747 -35.007 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -8.445 1.433 -36.168 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.768 0.169 -37.667 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.470 1.401 -36.418 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.814 0.250 -36.230 1.00 0.00 H new ATOM 116 N LYS A 11 -9.696 4.349 -36.190 1.00 0.00 N ATOM 117 CA LYS A 11 -10.457 5.193 -35.276 1.00 0.00 C ATOM 118 C LYS A 11 -10.118 4.866 -33.825 1.00 0.00 C ATOM 119 O LYS A 11 -10.575 3.860 -33.284 1.00 0.00 O ATOM 120 CB LYS A 11 -11.958 5.014 -35.514 1.00 0.00 C ATOM 121 CG LYS A 11 -12.808 6.099 -34.878 1.00 0.00 C ATOM 122 CD LYS A 11 -14.291 5.827 -35.065 1.00 0.00 C ATOM 123 CE LYS A 11 -14.836 4.927 -33.965 1.00 0.00 C ATOM 124 NZ LYS A 11 -14.623 5.514 -32.613 1.00 0.00 N ATOM 0 H LYS A 11 -10.178 3.498 -36.478 1.00 0.00 H new ATOM 0 HA LYS A 11 -10.187 6.231 -35.469 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -12.148 4.998 -36.587 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -12.267 4.045 -35.121 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -12.580 6.164 -33.814 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -12.556 7.064 -35.317 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -14.837 6.770 -35.069 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -14.457 5.359 -36.035 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -15.901 4.761 -34.126 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -14.350 3.953 -34.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -15.364 5.175 -31.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -13.691 5.226 -32.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -14.665 6.551 -32.674 1.00 0.00 H new ATOM 138 N GLN A 12 -9.318 5.725 -33.201 1.00 0.00 N ATOM 139 CA GLN A 12 -8.920 5.527 -31.812 1.00 0.00 C ATOM 140 C GLN A 12 -9.435 6.660 -30.932 1.00 0.00 C ATOM 141 O GLN A 12 -9.391 7.828 -31.319 1.00 0.00 O ATOM 142 CB GLN A 12 -7.397 5.432 -31.704 1.00 0.00 C ATOM 143 CG GLN A 12 -6.895 5.315 -30.275 1.00 0.00 C ATOM 144 CD GLN A 12 -7.493 4.130 -29.541 1.00 0.00 C ATOM 145 OE1 GLN A 12 -7.913 3.151 -30.159 1.00 0.00 O ATOM 146 NE2 GLN A 12 -7.534 4.213 -28.217 1.00 0.00 N ATOM 0 H GLN A 12 -8.933 6.564 -33.635 1.00 0.00 H new ATOM 0 HA GLN A 12 -9.360 4.593 -31.464 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -7.054 4.568 -32.273 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -6.953 6.314 -32.165 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -5.809 5.223 -30.282 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -7.134 6.231 -29.734 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -7.174 5.044 -27.747 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -7.925 3.446 -27.670 1.00 0.00 H new ATOM 155 N GLU A 13 -9.923 6.308 -29.746 1.00 0.00 N ATOM 156 CA GLU A 13 -10.447 7.297 -28.812 1.00 0.00 C ATOM 157 C GLU A 13 -9.330 7.872 -27.945 1.00 0.00 C ATOM 158 O GLU A 13 -8.566 7.131 -27.325 1.00 0.00 O ATOM 159 CB GLU A 13 -11.525 6.671 -27.925 1.00 0.00 C ATOM 160 CG GLU A 13 -12.910 6.681 -28.551 1.00 0.00 C ATOM 161 CD GLU A 13 -13.800 5.577 -28.015 1.00 0.00 C ATOM 162 OE1 GLU A 13 -13.274 4.489 -27.701 1.00 0.00 O ATOM 163 OE2 GLU A 13 -15.024 5.801 -27.910 1.00 0.00 O ATOM 0 H GLU A 13 -9.966 5.346 -29.410 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.888 8.108 -29.391 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.245 5.642 -27.699 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -11.560 7.208 -26.977 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -13.382 7.646 -28.365 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -12.817 6.575 -29.632 1.00 0.00 H new ATOM 170 N LEU A 14 -9.242 9.197 -27.907 1.00 0.00 N ATOM 171 CA LEU A 14 -8.219 9.873 -27.117 1.00 0.00 C ATOM 172 C LEU A 14 -8.766 10.283 -25.754 1.00 0.00 C ATOM 173 O LEU A 14 -9.979 10.321 -25.547 1.00 0.00 O ATOM 174 CB LEU A 14 -7.701 11.104 -27.863 1.00 0.00 C ATOM 175 CG LEU A 14 -7.499 10.940 -29.370 1.00 0.00 C ATOM 176 CD1 LEU A 14 -7.140 12.272 -30.009 1.00 0.00 C ATOM 177 CD2 LEU A 14 -6.422 9.903 -29.654 1.00 0.00 C ATOM 0 H LEU A 14 -9.866 9.824 -28.414 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.395 9.176 -26.962 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.399 11.925 -27.697 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.750 11.400 -27.419 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.435 10.592 -29.806 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.000 12.135 -31.081 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -7.944 12.987 -29.836 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.218 12.650 -29.568 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.292 9.799 -30.731 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.482 10.222 -29.204 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.720 8.944 -29.231 1.00 0.00 H new ATOM 189 N SER A 15 -7.863 10.591 -24.828 1.00 0.00 N ATOM 190 CA SER A 15 -8.256 10.998 -23.484 1.00 0.00 C ATOM 191 C SER A 15 -7.301 12.054 -22.935 1.00 0.00 C ATOM 192 O SER A 15 -6.090 11.981 -23.143 1.00 0.00 O ATOM 193 CB SER A 15 -8.284 9.786 -22.550 1.00 0.00 C ATOM 194 OG SER A 15 -7.254 8.868 -22.873 1.00 0.00 O ATOM 0 H SER A 15 -6.855 10.566 -24.984 1.00 0.00 H new ATOM 0 HA SER A 15 -9.255 11.430 -23.539 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.170 10.116 -21.517 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.252 9.291 -22.621 1.00 0.00 H new ATOM 0 HG SER A 15 -7.293 8.104 -22.261 1.00 0.00 H new ATOM 200 N CYS A 16 -7.856 13.037 -22.234 1.00 0.00 N ATOM 201 CA CYS A 16 -7.057 14.110 -21.655 1.00 0.00 C ATOM 202 C CYS A 16 -7.205 14.140 -20.136 1.00 0.00 C ATOM 203 O CYS A 16 -8.203 14.629 -19.608 1.00 0.00 O ATOM 204 CB CYS A 16 -7.472 15.459 -22.245 1.00 0.00 C ATOM 205 SG CYS A 16 -7.298 16.860 -21.094 1.00 0.00 S ATOM 0 H CYS A 16 -8.857 13.112 -22.053 1.00 0.00 H new ATOM 0 HA CYS A 16 -6.011 13.921 -21.897 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -6.871 15.655 -23.133 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -8.510 15.397 -22.570 1.00 0.00 H new ATOM 210 N LYS A 17 -6.203 13.613 -19.439 1.00 0.00 N ATOM 211 CA LYS A 17 -6.219 13.580 -17.982 1.00 0.00 C ATOM 212 C LYS A 17 -5.611 14.853 -17.402 1.00 0.00 C ATOM 213 O LYS A 17 -4.391 14.985 -17.314 1.00 0.00 O ATOM 214 CB LYS A 17 -5.452 12.358 -17.471 1.00 0.00 C ATOM 215 CG LYS A 17 -5.590 11.137 -18.363 1.00 0.00 C ATOM 216 CD LYS A 17 -7.048 10.785 -18.606 1.00 0.00 C ATOM 217 CE LYS A 17 -7.633 9.998 -17.443 1.00 0.00 C ATOM 218 NZ LYS A 17 -8.247 10.891 -16.422 1.00 0.00 N ATOM 0 H LYS A 17 -5.370 13.203 -19.861 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.257 13.513 -17.656 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.396 12.614 -17.380 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.807 12.109 -16.471 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.096 11.324 -19.317 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.082 10.290 -17.902 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.624 11.698 -18.755 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.135 10.201 -19.522 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.385 9.303 -17.817 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.849 9.400 -16.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -9.063 10.413 -15.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.545 11.113 -15.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.563 11.772 -16.876 1.00 0.00 H new ATOM 232 N TRP A 18 -6.470 15.786 -17.007 1.00 0.00 N ATOM 233 CA TRP A 18 -6.017 17.049 -16.434 1.00 0.00 C ATOM 234 C TRP A 18 -6.277 17.089 -14.933 1.00 0.00 C ATOM 235 O TRP A 18 -7.411 16.916 -14.485 1.00 0.00 O ATOM 236 CB TRP A 18 -6.718 18.224 -17.118 1.00 0.00 C ATOM 237 CG TRP A 18 -6.010 19.531 -16.926 1.00 0.00 C ATOM 238 CD1 TRP A 18 -6.098 20.359 -15.844 1.00 0.00 C ATOM 239 CD2 TRP A 18 -5.109 20.160 -17.844 1.00 0.00 C ATOM 240 NE1 TRP A 18 -5.305 21.466 -16.033 1.00 0.00 N ATOM 241 CE2 TRP A 18 -4.687 21.367 -17.252 1.00 0.00 C ATOM 242 CE3 TRP A 18 -4.615 19.820 -19.106 1.00 0.00 C ATOM 243 CZ2 TRP A 18 -3.797 22.233 -17.881 1.00 0.00 C ATOM 244 CZ3 TRP A 18 -3.732 20.681 -19.729 1.00 0.00 C ATOM 245 CH2 TRP A 18 -3.330 21.876 -19.117 1.00 0.00 C ATOM 0 H TRP A 18 -7.484 15.692 -17.073 1.00 0.00 H new ATOM 0 HA TRP A 18 -4.943 17.130 -16.600 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -6.801 18.017 -18.185 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -7.733 18.308 -16.730 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -6.702 20.172 -14.968 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -5.195 22.236 -15.373 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -4.918 18.901 -19.586 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -3.486 23.154 -17.410 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -3.345 20.429 -20.705 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -2.639 22.528 -19.630 1.00 0.00 H new ATOM 256 N ILE A 19 -5.222 17.320 -14.159 1.00 0.00 N ATOM 257 CA ILE A 19 -5.338 17.384 -12.708 1.00 0.00 C ATOM 258 C ILE A 19 -4.807 18.710 -12.172 1.00 0.00 C ATOM 259 O ILE A 19 -3.598 18.894 -12.031 1.00 0.00 O ATOM 260 CB ILE A 19 -4.579 16.229 -12.030 1.00 0.00 C ATOM 261 CG1 ILE A 19 -5.076 14.882 -12.561 1.00 0.00 C ATOM 262 CG2 ILE A 19 -4.741 16.302 -10.519 1.00 0.00 C ATOM 263 CD1 ILE A 19 -4.946 13.754 -11.561 1.00 0.00 C ATOM 0 H ILE A 19 -4.277 17.466 -14.513 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.399 17.298 -12.473 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.519 16.323 -12.266 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.122 14.979 -12.853 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.516 14.626 -13.460 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.198 15.478 -10.055 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.343 17.249 -10.156 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.798 16.230 -10.263 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.317 12.830 -12.005 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.898 13.630 -11.287 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.529 13.988 -10.670 1.00 0.00 H new ATOM 275 N ASP A 20 -5.719 19.629 -11.874 1.00 0.00 N ATOM 276 CA ASP A 20 -5.343 20.937 -11.351 1.00 0.00 C ATOM 277 C ASP A 20 -4.851 20.826 -9.911 1.00 0.00 C ATOM 278 O ASP A 20 -5.440 20.114 -9.098 1.00 0.00 O ATOM 279 CB ASP A 20 -6.529 21.899 -11.424 1.00 0.00 C ATOM 280 CG ASP A 20 -6.348 23.111 -10.531 1.00 0.00 C ATOM 281 OD1 ASP A 20 -5.208 23.613 -10.436 1.00 0.00 O ATOM 282 OD2 ASP A 20 -7.346 23.558 -9.929 1.00 0.00 O ATOM 0 H ASP A 20 -6.724 19.492 -11.986 1.00 0.00 H new ATOM 0 HA ASP A 20 -4.531 21.326 -11.965 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.663 22.228 -12.455 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.439 21.372 -11.136 1.00 0.00 H new ATOM 287 N GLU A 21 -3.767 21.532 -9.605 1.00 0.00 N ATOM 288 CA GLU A 21 -3.196 21.510 -8.264 1.00 0.00 C ATOM 289 C GLU A 21 -4.042 22.334 -7.298 1.00 0.00 C ATOM 290 O GLU A 21 -4.151 22.008 -6.116 1.00 0.00 O ATOM 291 CB GLU A 21 -1.763 22.046 -8.287 1.00 0.00 C ATOM 292 CG GLU A 21 -0.995 21.675 -9.545 1.00 0.00 C ATOM 293 CD GLU A 21 0.496 21.547 -9.302 1.00 0.00 C ATOM 294 OE1 GLU A 21 0.897 20.643 -8.540 1.00 0.00 O ATOM 295 OE2 GLU A 21 1.262 22.352 -9.873 1.00 0.00 O ATOM 0 H GLU A 21 -3.267 22.126 -10.267 1.00 0.00 H new ATOM 0 HA GLU A 21 -3.185 20.476 -7.919 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.788 23.132 -8.194 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.227 21.664 -7.418 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.378 20.732 -9.935 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.171 22.431 -10.310 1.00 0.00 H new ATOM 302 N ALA A 22 -4.640 23.405 -7.810 1.00 0.00 N ATOM 303 CA ALA A 22 -5.478 24.276 -6.994 1.00 0.00 C ATOM 304 C ALA A 22 -6.956 24.057 -7.299 1.00 0.00 C ATOM 305 O ALA A 22 -7.736 25.008 -7.346 1.00 0.00 O ATOM 306 CB ALA A 22 -5.101 25.732 -7.218 1.00 0.00 C ATOM 0 H ALA A 22 -4.560 23.690 -8.786 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.309 24.026 -5.947 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.735 26.371 -6.603 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.057 25.884 -6.944 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.241 25.987 -8.269 1.00 0.00 H new ATOM 312 N GLN A 23 -7.334 22.800 -7.505 1.00 0.00 N ATOM 313 CA GLN A 23 -8.719 22.458 -7.806 1.00 0.00 C ATOM 314 C GLN A 23 -9.577 22.501 -6.546 1.00 0.00 C ATOM 315 O GLN A 23 -9.104 22.200 -5.450 1.00 0.00 O ATOM 316 CB GLN A 23 -8.797 21.070 -8.443 1.00 0.00 C ATOM 317 CG GLN A 23 -8.463 19.940 -7.483 1.00 0.00 C ATOM 318 CD GLN A 23 -8.766 18.572 -8.062 1.00 0.00 C ATOM 319 OE1 GLN A 23 -9.883 18.068 -7.944 1.00 0.00 O ATOM 320 NE2 GLN A 23 -7.769 17.963 -8.695 1.00 0.00 N ATOM 0 H GLN A 23 -6.701 22.001 -7.469 1.00 0.00 H new ATOM 0 HA GLN A 23 -9.104 23.195 -8.511 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -9.802 20.916 -8.837 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.113 21.030 -9.291 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -7.407 19.993 -7.220 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -9.028 20.073 -6.561 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -6.859 18.417 -8.769 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.914 17.041 -9.107 1.00 0.00 H new ATOM 329 N LEU A 24 -10.840 22.879 -6.709 1.00 0.00 N ATOM 330 CA LEU A 24 -11.765 22.962 -5.584 1.00 0.00 C ATOM 331 C LEU A 24 -12.522 21.649 -5.403 1.00 0.00 C ATOM 332 O LEU A 24 -13.411 21.546 -4.559 1.00 0.00 O ATOM 333 CB LEU A 24 -12.755 24.109 -5.796 1.00 0.00 C ATOM 334 CG LEU A 24 -13.676 24.427 -4.617 1.00 0.00 C ATOM 335 CD1 LEU A 24 -12.862 24.691 -3.360 1.00 0.00 C ATOM 336 CD2 LEU A 24 -14.563 25.620 -4.941 1.00 0.00 C ATOM 0 H LEU A 24 -11.247 23.133 -7.609 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.184 23.153 -4.681 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -12.191 25.008 -6.043 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -13.374 23.873 -6.661 1.00 0.00 H new ATOM 0 HG LEU A 24 -14.315 23.563 -4.436 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -13.534 24.915 -2.532 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -12.270 23.808 -3.118 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -12.198 25.539 -3.528 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -15.212 25.832 -4.091 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -13.941 26.490 -5.149 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -15.173 25.393 -5.815 1.00 0.00 H new ATOM 348 N SER A 25 -12.160 20.649 -6.201 1.00 0.00 N ATOM 349 CA SER A 25 -12.806 19.344 -6.129 1.00 0.00 C ATOM 350 C SER A 25 -11.916 18.336 -5.408 1.00 0.00 C ATOM 351 O SER A 25 -10.723 18.228 -5.695 1.00 0.00 O ATOM 352 CB SER A 25 -13.135 18.837 -7.535 1.00 0.00 C ATOM 353 OG SER A 25 -13.385 19.914 -8.420 1.00 0.00 O ATOM 0 H SER A 25 -11.424 20.718 -6.904 1.00 0.00 H new ATOM 0 HA SER A 25 -13.731 19.454 -5.564 1.00 0.00 H new ATOM 0 HB2 SER A 25 -12.306 18.237 -7.912 1.00 0.00 H new ATOM 0 HB3 SER A 25 -14.008 18.185 -7.495 1.00 0.00 H new ATOM 0 HG SER A 25 -13.591 19.564 -9.312 1.00 0.00 H new ATOM 359 N ARG A 26 -12.504 17.600 -4.471 1.00 0.00 N ATOM 360 CA ARG A 26 -11.765 16.602 -3.708 1.00 0.00 C ATOM 361 C ARG A 26 -12.556 15.301 -3.606 1.00 0.00 C ATOM 362 O ARG A 26 -13.765 15.297 -3.377 1.00 0.00 O ATOM 363 CB ARG A 26 -11.450 17.131 -2.307 1.00 0.00 C ATOM 364 CG ARG A 26 -10.111 16.659 -1.765 1.00 0.00 C ATOM 365 CD ARG A 26 -10.244 15.335 -1.028 1.00 0.00 C ATOM 366 NE ARG A 26 -10.736 15.515 0.336 1.00 0.00 N ATOM 367 CZ ARG A 26 -10.871 14.520 1.205 1.00 0.00 C ATOM 368 NH1 ARG A 26 -10.552 13.281 0.856 1.00 0.00 N ATOM 369 NH2 ARG A 26 -11.325 14.763 2.428 1.00 0.00 N ATOM 0 H ARG A 26 -13.490 17.676 -4.222 1.00 0.00 H new ATOM 0 HA ARG A 26 -10.831 16.399 -4.231 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -11.460 18.221 -2.329 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.240 16.818 -1.624 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -9.403 16.550 -2.586 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -9.704 17.413 -1.091 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -10.924 14.682 -1.575 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -9.275 14.836 -1.001 1.00 0.00 H new ATOM 0 HE ARG A 26 -10.990 16.456 0.637 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -10.202 13.090 -0.083 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -10.657 12.519 1.526 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -11.571 15.715 2.701 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -11.428 13.998 3.095 1.00 0.00 H new ATOM 383 N PRO A 27 -11.858 14.169 -3.780 1.00 0.00 N ATOM 384 CA PRO A 27 -10.418 14.161 -4.054 1.00 0.00 C ATOM 385 C PRO A 27 -10.089 14.694 -5.445 1.00 0.00 C ATOM 386 O PRO A 27 -10.984 14.963 -6.246 1.00 0.00 O ATOM 387 CB PRO A 27 -10.044 12.681 -3.947 1.00 0.00 C ATOM 388 CG PRO A 27 -11.305 11.949 -4.250 1.00 0.00 C ATOM 389 CD PRO A 27 -12.421 12.809 -3.724 1.00 0.00 C ATOM 0 HA PRO A 27 -9.869 14.804 -3.366 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -9.255 12.420 -4.653 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.674 12.437 -2.951 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -11.412 11.784 -5.322 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -11.311 10.968 -3.774 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -13.319 12.720 -4.335 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -12.698 12.530 -2.707 1.00 0.00 H new ATOM 397 N LYS A 28 -8.799 14.844 -5.726 1.00 0.00 N ATOM 398 CA LYS A 28 -8.351 15.343 -7.020 1.00 0.00 C ATOM 399 C LYS A 28 -8.925 14.502 -8.156 1.00 0.00 C ATOM 400 O LYS A 28 -8.657 13.304 -8.252 1.00 0.00 O ATOM 401 CB LYS A 28 -6.822 15.339 -7.090 1.00 0.00 C ATOM 402 CG LYS A 28 -6.160 16.137 -5.981 1.00 0.00 C ATOM 403 CD LYS A 28 -6.018 17.603 -6.356 1.00 0.00 C ATOM 404 CE LYS A 28 -5.389 18.408 -5.230 1.00 0.00 C ATOM 405 NZ LYS A 28 -5.733 19.854 -5.323 1.00 0.00 N ATOM 0 H LYS A 28 -8.045 14.627 -5.074 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.711 16.366 -7.131 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.467 14.309 -7.046 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.510 15.743 -8.053 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.749 16.050 -5.068 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.176 15.718 -5.768 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.407 17.692 -7.254 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.998 18.015 -6.596 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.726 18.015 -4.271 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.306 18.290 -5.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.313 20.363 -4.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.360 20.243 -6.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.767 19.967 -5.303 1.00 0.00 H new ATOM 419 N LYS A 29 -9.714 15.137 -9.016 1.00 0.00 N ATOM 420 CA LYS A 29 -10.324 14.448 -10.148 1.00 0.00 C ATOM 421 C LYS A 29 -9.628 14.824 -11.452 1.00 0.00 C ATOM 422 O LYS A 29 -8.940 15.841 -11.529 1.00 0.00 O ATOM 423 CB LYS A 29 -11.813 14.788 -10.235 1.00 0.00 C ATOM 424 CG LYS A 29 -12.548 14.647 -8.913 1.00 0.00 C ATOM 425 CD LYS A 29 -14.031 14.940 -9.066 1.00 0.00 C ATOM 426 CE LYS A 29 -14.716 13.905 -9.945 1.00 0.00 C ATOM 427 NZ LYS A 29 -14.470 12.518 -9.464 1.00 0.00 N ATOM 0 H LYS A 29 -9.946 16.128 -8.951 1.00 0.00 H new ATOM 0 HA LYS A 29 -10.211 13.375 -9.993 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.923 15.811 -10.595 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -12.283 14.138 -10.973 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.414 13.637 -8.527 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.115 15.328 -8.180 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -14.503 14.954 -8.084 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -14.164 15.932 -9.498 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -15.789 14.098 -9.964 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.356 14.003 -10.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -15.175 11.876 -9.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -13.516 12.216 -9.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -14.547 12.491 -8.427 1.00 0.00 H new ATOM 441 N SER A 30 -9.814 13.997 -12.476 1.00 0.00 N ATOM 442 CA SER A 30 -9.202 14.241 -13.777 1.00 0.00 C ATOM 443 C SER A 30 -10.254 14.653 -14.803 1.00 0.00 C ATOM 444 O SER A 30 -11.393 14.186 -14.764 1.00 0.00 O ATOM 445 CB SER A 30 -8.464 12.992 -14.260 1.00 0.00 C ATOM 446 OG SER A 30 -9.140 11.813 -13.859 1.00 0.00 O ATOM 0 H SER A 30 -10.384 13.152 -12.430 1.00 0.00 H new ATOM 0 HA SER A 30 -8.487 15.056 -13.667 1.00 0.00 H new ATOM 0 HB2 SER A 30 -8.378 13.014 -15.346 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.450 12.987 -13.860 1.00 0.00 H new ATOM 0 HG SER A 30 -8.491 11.090 -13.735 1.00 0.00 H new ATOM 452 N CYS A 31 -9.864 15.531 -15.721 1.00 0.00 N ATOM 453 CA CYS A 31 -10.771 16.007 -16.758 1.00 0.00 C ATOM 454 C CYS A 31 -11.302 14.845 -17.592 1.00 0.00 C ATOM 455 O CYS A 31 -10.533 14.107 -18.207 1.00 0.00 O ATOM 456 CB CYS A 31 -10.060 17.015 -17.663 1.00 0.00 C ATOM 457 SG CYS A 31 -10.760 17.132 -19.341 1.00 0.00 S ATOM 0 H CYS A 31 -8.925 15.927 -15.768 1.00 0.00 H new ATOM 0 HA CYS A 31 -11.614 16.497 -16.271 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -10.100 17.999 -17.195 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -9.008 16.740 -17.738 1.00 0.00 H new ATOM 462 N ASP A 32 -12.621 14.690 -17.607 1.00 0.00 N ATOM 463 CA ASP A 32 -13.257 13.619 -18.366 1.00 0.00 C ATOM 464 C ASP A 32 -13.627 14.092 -19.768 1.00 0.00 C ATOM 465 O ASP A 32 -14.639 14.767 -19.958 1.00 0.00 O ATOM 466 CB ASP A 32 -14.505 13.119 -17.636 1.00 0.00 C ATOM 467 CG ASP A 32 -14.182 12.075 -16.585 1.00 0.00 C ATOM 468 OD1 ASP A 32 -12.994 11.711 -16.455 1.00 0.00 O ATOM 469 OD2 ASP A 32 -15.116 11.622 -15.892 1.00 0.00 O ATOM 0 H ASP A 32 -13.271 15.292 -17.102 1.00 0.00 H new ATOM 0 HA ASP A 32 -12.545 12.798 -18.456 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -15.008 13.962 -17.163 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -15.202 12.697 -18.361 1.00 0.00 H new ATOM 474 N ARG A 33 -12.801 13.734 -20.745 1.00 0.00 N ATOM 475 CA ARG A 33 -13.041 14.124 -22.129 1.00 0.00 C ATOM 476 C ARG A 33 -12.637 13.007 -23.087 1.00 0.00 C ATOM 477 O ARG A 33 -11.924 12.077 -22.709 1.00 0.00 O ATOM 478 CB ARG A 33 -12.266 15.400 -22.463 1.00 0.00 C ATOM 479 CG ARG A 33 -12.944 16.670 -21.974 1.00 0.00 C ATOM 480 CD ARG A 33 -13.996 17.155 -22.959 1.00 0.00 C ATOM 481 NE ARG A 33 -15.280 16.489 -22.761 1.00 0.00 N ATOM 482 CZ ARG A 33 -16.179 16.878 -21.863 1.00 0.00 C ATOM 483 NH1 ARG A 33 -15.934 17.923 -21.085 1.00 0.00 N ATOM 484 NH2 ARG A 33 -17.325 16.220 -21.743 1.00 0.00 N ATOM 0 H ARG A 33 -11.960 13.175 -20.604 1.00 0.00 H new ATOM 0 HA ARG A 33 -14.108 14.313 -22.247 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -11.271 15.337 -22.022 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -12.133 15.462 -23.543 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -13.409 16.486 -21.005 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -12.196 17.449 -21.826 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -14.126 18.232 -22.850 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -13.649 16.977 -23.977 1.00 0.00 H new ATOM 0 HE ARG A 33 -15.499 15.681 -23.344 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -15.054 18.431 -21.175 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -16.626 18.220 -20.397 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -17.516 15.415 -22.340 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -18.015 16.519 -21.054 1.00 0.00 H new ATOM 498 N THR A 34 -13.099 13.104 -24.330 1.00 0.00 N ATOM 499 CA THR A 34 -12.789 12.101 -25.341 1.00 0.00 C ATOM 500 C THR A 34 -12.842 12.699 -26.742 1.00 0.00 C ATOM 501 O THR A 34 -13.620 13.615 -27.008 1.00 0.00 O ATOM 502 CB THR A 34 -13.761 10.909 -25.267 1.00 0.00 C ATOM 503 OG1 THR A 34 -15.078 11.369 -24.946 1.00 0.00 O ATOM 504 CG2 THR A 34 -13.303 9.900 -24.224 1.00 0.00 C ATOM 0 H THR A 34 -13.689 13.867 -24.660 1.00 0.00 H new ATOM 0 HA THR A 34 -11.778 11.748 -25.137 1.00 0.00 H new ATOM 0 HB THR A 34 -13.775 10.420 -26.241 1.00 0.00 H new ATOM 0 HG1 THR A 34 -15.690 10.605 -24.903 1.00 0.00 H new ATOM 0 HG21 THR A 34 -14.006 9.067 -24.190 1.00 0.00 H new ATOM 0 HG22 THR A 34 -12.313 9.529 -24.487 1.00 0.00 H new ATOM 0 HG23 THR A 34 -13.262 10.380 -23.246 1.00 0.00 H new ATOM 512 N PHE A 35 -12.009 12.175 -27.636 1.00 0.00 N ATOM 513 CA PHE A 35 -11.961 12.657 -29.011 1.00 0.00 C ATOM 514 C PHE A 35 -11.684 11.512 -29.980 1.00 0.00 C ATOM 515 O PHE A 35 -11.123 10.484 -29.599 1.00 0.00 O ATOM 516 CB PHE A 35 -10.886 13.736 -29.158 1.00 0.00 C ATOM 517 CG PHE A 35 -11.034 14.867 -28.181 1.00 0.00 C ATOM 518 CD1 PHE A 35 -11.930 15.896 -28.423 1.00 0.00 C ATOM 519 CD2 PHE A 35 -10.278 14.902 -27.021 1.00 0.00 C ATOM 520 CE1 PHE A 35 -12.069 16.939 -27.526 1.00 0.00 C ATOM 521 CE2 PHE A 35 -10.413 15.941 -26.120 1.00 0.00 C ATOM 522 CZ PHE A 35 -11.309 16.961 -26.374 1.00 0.00 C ATOM 0 H PHE A 35 -11.358 11.416 -27.432 1.00 0.00 H new ATOM 0 HA PHE A 35 -12.933 13.087 -29.253 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -9.905 13.280 -29.028 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -10.920 14.135 -30.172 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -12.527 15.883 -29.323 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -9.575 14.108 -26.818 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -12.771 17.735 -27.726 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -9.819 15.955 -25.218 1.00 0.00 H new ATOM 0 HZ PHE A 35 -11.415 17.775 -25.672 1.00 0.00 H new ATOM 532 N SER A 36 -12.082 11.697 -31.235 1.00 0.00 N ATOM 533 CA SER A 36 -11.881 10.678 -32.259 1.00 0.00 C ATOM 534 C SER A 36 -10.623 10.966 -33.073 1.00 0.00 C ATOM 535 O SER A 36 -10.028 10.063 -33.661 1.00 0.00 O ATOM 536 CB SER A 36 -13.096 10.608 -33.185 1.00 0.00 C ATOM 537 OG SER A 36 -14.083 9.734 -32.666 1.00 0.00 O ATOM 0 H SER A 36 -12.545 12.543 -31.567 1.00 0.00 H new ATOM 0 HA SER A 36 -11.758 9.717 -31.760 1.00 0.00 H new ATOM 0 HB2 SER A 36 -13.519 11.605 -33.311 1.00 0.00 H new ATOM 0 HB3 SER A 36 -12.786 10.266 -34.172 1.00 0.00 H new ATOM 0 HG SER A 36 -14.850 9.708 -33.275 1.00 0.00 H new ATOM 543 N THR A 37 -10.223 12.234 -33.102 1.00 0.00 N ATOM 544 CA THR A 37 -9.037 12.643 -33.844 1.00 0.00 C ATOM 545 C THR A 37 -8.035 13.346 -32.935 1.00 0.00 C ATOM 546 O THR A 37 -8.403 13.893 -31.896 1.00 0.00 O ATOM 547 CB THR A 37 -9.401 13.582 -35.011 1.00 0.00 C ATOM 548 OG1 THR A 37 -9.757 14.874 -34.507 1.00 0.00 O ATOM 549 CG2 THR A 37 -10.554 13.012 -35.824 1.00 0.00 C ATOM 0 H THR A 37 -10.703 12.994 -32.621 1.00 0.00 H new ATOM 0 HA THR A 37 -8.586 11.735 -34.244 1.00 0.00 H new ATOM 0 HB THR A 37 -8.531 13.674 -35.661 1.00 0.00 H new ATOM 0 HG1 THR A 37 -9.985 15.465 -35.255 1.00 0.00 H new ATOM 0 HG21 THR A 37 -10.793 13.692 -36.642 1.00 0.00 H new ATOM 0 HG22 THR A 37 -10.268 12.042 -36.230 1.00 0.00 H new ATOM 0 HG23 THR A 37 -11.428 12.894 -35.183 1.00 0.00 H new ATOM 557 N MET A 38 -6.768 13.328 -33.334 1.00 0.00 N ATOM 558 CA MET A 38 -5.713 13.966 -32.554 1.00 0.00 C ATOM 559 C MET A 38 -5.963 15.465 -32.425 1.00 0.00 C ATOM 560 O MET A 38 -6.030 16.000 -31.318 1.00 0.00 O ATOM 561 CB MET A 38 -4.349 13.719 -33.203 1.00 0.00 C ATOM 562 CG MET A 38 -3.191 14.335 -32.436 1.00 0.00 C ATOM 563 SD MET A 38 -3.302 14.046 -30.660 1.00 0.00 S ATOM 564 CE MET A 38 -3.515 12.268 -30.618 1.00 0.00 C ATOM 0 H MET A 38 -6.446 12.879 -34.192 1.00 0.00 H new ATOM 0 HA MET A 38 -5.718 13.527 -31.556 1.00 0.00 H new ATOM 0 HB2 MET A 38 -4.186 12.645 -33.290 1.00 0.00 H new ATOM 0 HB3 MET A 38 -4.359 14.123 -34.216 1.00 0.00 H new ATOM 0 HG2 MET A 38 -2.253 13.923 -32.809 1.00 0.00 H new ATOM 0 HG3 MET A 38 -3.165 15.408 -32.625 1.00 0.00 H new ATOM 0 HE1 MET A 38 -3.670 11.944 -29.589 1.00 0.00 H new ATOM 0 HE2 MET A 38 -4.380 11.991 -31.220 1.00 0.00 H new ATOM 0 HE3 MET A 38 -2.624 11.785 -31.020 1.00 0.00 H new ATOM 574 N HIS A 39 -6.101 16.138 -33.564 1.00 0.00 N ATOM 575 CA HIS A 39 -6.344 17.576 -33.577 1.00 0.00 C ATOM 576 C HIS A 39 -7.406 17.957 -32.549 1.00 0.00 C ATOM 577 O HIS A 39 -7.254 18.938 -31.822 1.00 0.00 O ATOM 578 CB HIS A 39 -6.782 18.027 -34.971 1.00 0.00 C ATOM 579 CG HIS A 39 -6.857 19.516 -35.122 1.00 0.00 C ATOM 580 ND1 HIS A 39 -7.965 20.254 -34.763 1.00 0.00 N ATOM 581 CD2 HIS A 39 -5.952 20.404 -35.595 1.00 0.00 C ATOM 582 CE1 HIS A 39 -7.740 21.531 -35.011 1.00 0.00 C ATOM 583 NE2 HIS A 39 -6.525 21.650 -35.516 1.00 0.00 N ATOM 0 H HIS A 39 -6.049 15.711 -34.489 1.00 0.00 H new ATOM 0 HA HIS A 39 -5.413 18.080 -33.316 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -6.085 17.630 -35.708 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.759 17.598 -35.193 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -4.964 20.176 -35.966 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -8.432 22.341 -34.832 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -6.084 22.525 -35.801 1.00 0.00 H new ATOM 591 N GLU A 40 -8.479 17.175 -32.497 1.00 0.00 N ATOM 592 CA GLU A 40 -9.566 17.432 -31.560 1.00 0.00 C ATOM 593 C GLU A 40 -9.043 17.512 -30.128 1.00 0.00 C ATOM 594 O GLU A 40 -9.369 18.439 -29.386 1.00 0.00 O ATOM 595 CB GLU A 40 -10.631 16.338 -31.665 1.00 0.00 C ATOM 596 CG GLU A 40 -11.701 16.628 -32.704 1.00 0.00 C ATOM 597 CD GLU A 40 -12.813 17.508 -32.167 1.00 0.00 C ATOM 598 OE1 GLU A 40 -13.607 17.018 -31.337 1.00 0.00 O ATOM 599 OE2 GLU A 40 -12.889 18.685 -32.577 1.00 0.00 O ATOM 0 H GLU A 40 -8.619 16.359 -33.092 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.015 18.391 -31.819 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.146 15.393 -31.909 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.106 16.211 -30.692 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.243 17.113 -33.566 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.125 15.687 -33.056 1.00 0.00 H new ATOM 606 N LEU A 41 -8.230 16.533 -29.747 1.00 0.00 N ATOM 607 CA LEU A 41 -7.660 16.490 -28.405 1.00 0.00 C ATOM 608 C LEU A 41 -6.781 17.710 -28.147 1.00 0.00 C ATOM 609 O LEU A 41 -6.950 18.411 -27.150 1.00 0.00 O ATOM 610 CB LEU A 41 -6.845 15.210 -28.215 1.00 0.00 C ATOM 611 CG LEU A 41 -5.945 15.164 -26.980 1.00 0.00 C ATOM 612 CD1 LEU A 41 -6.782 15.093 -25.712 1.00 0.00 C ATOM 613 CD2 LEU A 41 -4.992 13.980 -27.059 1.00 0.00 C ATOM 0 H LEU A 41 -7.951 15.758 -30.349 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.481 16.499 -27.688 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.535 14.367 -28.169 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.223 15.065 -29.098 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.354 16.079 -26.950 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.124 15.061 -24.843 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.423 15.972 -25.650 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.399 14.195 -25.733 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.359 13.963 -26.172 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.565 13.055 -27.114 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.368 14.074 -27.948 1.00 0.00 H new ATOM 625 N VAL A 42 -5.842 17.958 -29.055 1.00 0.00 N ATOM 626 CA VAL A 42 -4.937 19.094 -28.928 1.00 0.00 C ATOM 627 C VAL A 42 -5.712 20.396 -28.753 1.00 0.00 C ATOM 628 O VAL A 42 -5.471 21.154 -27.813 1.00 0.00 O ATOM 629 CB VAL A 42 -4.017 19.219 -30.157 1.00 0.00 C ATOM 630 CG1 VAL A 42 -3.057 20.387 -29.989 1.00 0.00 C ATOM 631 CG2 VAL A 42 -3.256 17.921 -30.386 1.00 0.00 C ATOM 0 H VAL A 42 -5.688 17.387 -29.886 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.326 18.915 -28.043 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.635 19.411 -31.034 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.415 20.460 -30.867 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.624 21.311 -29.877 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.443 20.229 -29.103 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.611 18.027 -31.258 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.648 17.696 -29.510 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.964 17.109 -30.554 1.00 0.00 H new ATOM 641 N THR A 43 -6.645 20.650 -29.665 1.00 0.00 N ATOM 642 CA THR A 43 -7.455 21.860 -29.613 1.00 0.00 C ATOM 643 C THR A 43 -8.089 22.039 -28.238 1.00 0.00 C ATOM 644 O THR A 43 -8.365 23.160 -27.811 1.00 0.00 O ATOM 645 CB THR A 43 -8.567 21.839 -30.679 1.00 0.00 C ATOM 646 OG1 THR A 43 -7.989 21.854 -31.989 1.00 0.00 O ATOM 647 CG2 THR A 43 -9.496 23.032 -30.516 1.00 0.00 C ATOM 0 H THR A 43 -6.858 20.033 -30.449 1.00 0.00 H new ATOM 0 HA THR A 43 -6.785 22.696 -29.813 1.00 0.00 H new ATOM 0 HB THR A 43 -9.148 20.926 -30.548 1.00 0.00 H new ATOM 0 HG1 THR A 43 -7.658 20.959 -32.211 1.00 0.00 H new ATOM 0 HG21 THR A 43 -10.273 22.995 -31.280 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.956 23.002 -29.528 1.00 0.00 H new ATOM 0 HG23 THR A 43 -8.926 23.955 -30.623 1.00 0.00 H new ATOM 655 N HIS A 44 -8.317 20.926 -27.548 1.00 0.00 N ATOM 656 CA HIS A 44 -8.918 20.960 -26.219 1.00 0.00 C ATOM 657 C HIS A 44 -7.863 21.240 -25.153 1.00 0.00 C ATOM 658 O HIS A 44 -7.918 22.259 -24.464 1.00 0.00 O ATOM 659 CB HIS A 44 -9.622 19.636 -25.920 1.00 0.00 C ATOM 660 CG HIS A 44 -9.947 19.444 -24.471 1.00 0.00 C ATOM 661 ND1 HIS A 44 -11.143 19.839 -23.910 1.00 0.00 N ATOM 662 CD2 HIS A 44 -9.226 18.893 -23.467 1.00 0.00 C ATOM 663 CE1 HIS A 44 -11.142 19.542 -22.622 1.00 0.00 C ATOM 664 NE2 HIS A 44 -9.990 18.966 -22.329 1.00 0.00 N ATOM 0 H HIS A 44 -8.095 19.990 -27.887 1.00 0.00 H new ATOM 0 HA HIS A 44 -9.652 21.766 -26.200 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -10.543 19.585 -26.500 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -8.989 18.814 -26.254 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -11.909 20.290 -24.411 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -8.234 18.474 -23.546 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -11.946 19.737 -21.928 1.00 0.00 H new ATOM 672 N VAL A 45 -6.903 20.330 -25.023 1.00 0.00 N ATOM 673 CA VAL A 45 -5.836 20.480 -24.041 1.00 0.00 C ATOM 674 C VAL A 45 -5.127 21.820 -24.200 1.00 0.00 C ATOM 675 O VAL A 45 -4.492 22.314 -23.268 1.00 0.00 O ATOM 676 CB VAL A 45 -4.800 19.346 -24.161 1.00 0.00 C ATOM 677 CG1 VAL A 45 -3.841 19.371 -22.980 1.00 0.00 C ATOM 678 CG2 VAL A 45 -5.497 17.997 -24.264 1.00 0.00 C ATOM 0 H VAL A 45 -6.842 19.481 -25.585 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.302 20.434 -23.057 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.221 19.501 -25.071 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.117 18.563 -23.082 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.317 20.327 -22.957 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.401 19.241 -22.054 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.750 17.207 -24.348 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.102 17.831 -23.373 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.138 17.985 -25.145 1.00 0.00 H new ATOM 688 N THR A 46 -5.239 22.405 -25.389 1.00 0.00 N ATOM 689 CA THR A 46 -4.608 23.688 -25.672 1.00 0.00 C ATOM 690 C THR A 46 -5.568 24.843 -25.406 1.00 0.00 C ATOM 691 O THR A 46 -5.268 25.743 -24.622 1.00 0.00 O ATOM 692 CB THR A 46 -4.122 23.765 -27.131 1.00 0.00 C ATOM 693 OG1 THR A 46 -3.367 22.593 -27.459 1.00 0.00 O ATOM 694 CG2 THR A 46 -3.265 25.003 -27.351 1.00 0.00 C ATOM 0 H THR A 46 -5.761 22.010 -26.171 1.00 0.00 H new ATOM 0 HA THR A 46 -3.749 23.772 -25.006 1.00 0.00 H new ATOM 0 HB THR A 46 -4.996 23.827 -27.779 1.00 0.00 H new ATOM 0 HG1 THR A 46 -3.965 21.817 -27.491 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.933 25.036 -28.389 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.851 25.895 -27.129 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.397 24.966 -26.693 1.00 0.00 H new ATOM 702 N MET A 47 -6.722 24.810 -26.064 1.00 0.00 N ATOM 703 CA MET A 47 -7.727 25.854 -25.896 1.00 0.00 C ATOM 704 C MET A 47 -8.656 25.532 -24.730 1.00 0.00 C ATOM 705 O MET A 47 -8.889 26.372 -23.862 1.00 0.00 O ATOM 706 CB MET A 47 -8.540 26.019 -27.182 1.00 0.00 C ATOM 707 CG MET A 47 -7.693 26.000 -28.444 1.00 0.00 C ATOM 708 SD MET A 47 -8.572 26.646 -29.880 1.00 0.00 S ATOM 709 CE MET A 47 -7.370 27.809 -30.518 1.00 0.00 C ATOM 0 H MET A 47 -6.985 24.073 -26.718 1.00 0.00 H new ATOM 0 HA MET A 47 -7.211 26.789 -25.678 1.00 0.00 H new ATOM 0 HB2 MET A 47 -9.280 25.221 -27.239 1.00 0.00 H new ATOM 0 HB3 MET A 47 -9.089 26.960 -27.137 1.00 0.00 H new ATOM 0 HG2 MET A 47 -6.790 26.589 -28.280 1.00 0.00 H new ATOM 0 HG3 MET A 47 -7.374 24.978 -28.648 1.00 0.00 H new ATOM 0 HE1 MET A 47 -7.769 28.292 -31.410 1.00 0.00 H new ATOM 0 HE2 MET A 47 -7.157 28.564 -29.761 1.00 0.00 H new ATOM 0 HE3 MET A 47 -6.451 27.280 -30.771 1.00 0.00 H new ATOM 719 N GLU A 48 -9.183 24.312 -24.718 1.00 0.00 N ATOM 720 CA GLU A 48 -10.088 23.881 -23.659 1.00 0.00 C ATOM 721 C GLU A 48 -9.336 23.695 -22.344 1.00 0.00 C ATOM 722 O GLU A 48 -9.910 23.265 -21.343 1.00 0.00 O ATOM 723 CB GLU A 48 -10.783 22.576 -24.050 1.00 0.00 C ATOM 724 CG GLU A 48 -11.653 22.698 -25.290 1.00 0.00 C ATOM 725 CD GLU A 48 -13.013 23.297 -24.992 1.00 0.00 C ATOM 726 OE1 GLU A 48 -13.073 24.503 -24.675 1.00 0.00 O ATOM 727 OE2 GLU A 48 -14.018 22.560 -25.075 1.00 0.00 O ATOM 0 H GLU A 48 -8.999 23.605 -25.429 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.841 24.657 -23.522 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.028 21.809 -24.220 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.398 22.238 -23.216 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.142 23.316 -26.028 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.784 21.712 -25.736 1.00 0.00 H new ATOM 734 N HIS A 49 -8.047 24.022 -22.354 1.00 0.00 N ATOM 735 CA HIS A 49 -7.216 23.891 -21.163 1.00 0.00 C ATOM 736 C HIS A 49 -6.211 25.035 -21.074 1.00 0.00 C ATOM 737 O HIS A 49 -6.361 25.945 -20.257 1.00 0.00 O ATOM 738 CB HIS A 49 -6.480 22.550 -21.174 1.00 0.00 C ATOM 739 CG HIS A 49 -7.176 21.479 -20.393 1.00 0.00 C ATOM 740 ND1 HIS A 49 -7.325 21.522 -19.023 1.00 0.00 N ATOM 741 CD2 HIS A 49 -7.767 20.330 -20.797 1.00 0.00 C ATOM 742 CE1 HIS A 49 -7.976 20.446 -18.618 1.00 0.00 C ATOM 743 NE2 HIS A 49 -8.256 19.707 -19.676 1.00 0.00 N ATOM 0 H HIS A 49 -7.556 24.379 -23.174 1.00 0.00 H new ATOM 0 HA HIS A 49 -7.866 23.933 -20.289 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -6.362 22.218 -22.205 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -5.478 22.691 -20.768 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -6.985 22.268 -18.416 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -7.840 19.970 -21.813 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -8.235 20.211 -17.596 1.00 0.00 H new ATOM 751 N VAL A 50 -5.185 24.984 -21.918 1.00 0.00 N ATOM 752 CA VAL A 50 -4.156 26.016 -21.934 1.00 0.00 C ATOM 753 C VAL A 50 -4.706 27.332 -22.473 1.00 0.00 C ATOM 754 O VAL A 50 -4.002 28.340 -22.515 1.00 0.00 O ATOM 755 CB VAL A 50 -2.946 25.589 -22.787 1.00 0.00 C ATOM 756 CG1 VAL A 50 -2.004 26.763 -23.002 1.00 0.00 C ATOM 757 CG2 VAL A 50 -2.219 24.424 -22.134 1.00 0.00 C ATOM 0 H VAL A 50 -5.045 24.238 -22.600 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.832 26.157 -20.903 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.308 25.261 -23.762 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.155 26.443 -23.606 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.534 27.565 -23.516 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.647 27.124 -22.038 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.367 24.135 -22.750 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.868 24.722 -21.146 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.900 23.578 -22.037 1.00 0.00 H new ATOM 767 N GLY A 51 -5.969 27.314 -22.886 1.00 0.00 N ATOM 768 CA GLY A 51 -6.593 28.512 -23.417 1.00 0.00 C ATOM 769 C GLY A 51 -5.936 28.989 -24.697 1.00 0.00 C ATOM 770 O GLY A 51 -5.254 28.222 -25.376 1.00 0.00 O ATOM 0 H GLY A 51 -6.572 26.491 -22.863 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.648 28.315 -23.605 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.545 29.305 -22.670 1.00 0.00 H new ATOM 774 N GLY A 52 -6.142 30.260 -25.029 1.00 0.00 N ATOM 775 CA GLY A 52 -5.559 30.816 -26.236 1.00 0.00 C ATOM 776 C GLY A 52 -4.362 31.700 -25.948 1.00 0.00 C ATOM 777 O GLY A 52 -3.772 31.651 -24.868 1.00 0.00 O ATOM 0 H GLY A 52 -6.702 30.915 -24.483 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.256 30.004 -26.897 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.315 31.395 -26.767 1.00 0.00 H new ATOM 781 N PRO A 53 -3.987 32.533 -26.930 1.00 0.00 N ATOM 782 CA PRO A 53 -2.849 33.448 -26.800 1.00 0.00 C ATOM 783 C PRO A 53 -3.123 34.578 -25.814 1.00 0.00 C ATOM 784 O PRO A 53 -2.196 35.207 -25.304 1.00 0.00 O ATOM 785 CB PRO A 53 -2.677 34.003 -28.216 1.00 0.00 C ATOM 786 CG PRO A 53 -4.026 33.880 -28.837 1.00 0.00 C ATOM 787 CD PRO A 53 -4.644 32.646 -28.243 1.00 0.00 C ATOM 0 HA PRO A 53 -1.963 32.944 -26.414 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -2.343 35.040 -28.197 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -1.931 33.438 -28.775 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -4.634 34.760 -28.628 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -3.950 33.795 -29.921 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -5.725 32.746 -28.144 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -4.460 31.767 -28.861 1.00 0.00 H new ATOM 795 N GLU A 54 -4.401 34.830 -25.550 1.00 0.00 N ATOM 796 CA GLU A 54 -4.796 35.885 -24.625 1.00 0.00 C ATOM 797 C GLU A 54 -4.298 35.585 -23.213 1.00 0.00 C ATOM 798 O GLU A 54 -3.992 36.497 -22.446 1.00 0.00 O ATOM 799 CB GLU A 54 -6.317 36.046 -24.618 1.00 0.00 C ATOM 800 CG GLU A 54 -6.808 37.159 -23.707 1.00 0.00 C ATOM 801 CD GLU A 54 -5.974 38.420 -23.826 1.00 0.00 C ATOM 802 OE1 GLU A 54 -5.899 38.978 -24.941 1.00 0.00 O ATOM 803 OE2 GLU A 54 -5.397 38.849 -22.805 1.00 0.00 O ATOM 0 H GLU A 54 -5.180 34.318 -25.964 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.342 36.817 -24.962 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.658 36.243 -25.634 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.772 35.106 -24.306 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.846 37.390 -23.948 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.790 36.812 -22.674 1.00 0.00 H new ATOM 810 N GLN A 55 -4.222 34.301 -22.880 1.00 0.00 N ATOM 811 CA GLN A 55 -3.764 33.881 -21.561 1.00 0.00 C ATOM 812 C GLN A 55 -2.310 34.284 -21.336 1.00 0.00 C ATOM 813 O GLN A 55 -1.523 34.355 -22.279 1.00 0.00 O ATOM 814 CB GLN A 55 -3.916 32.367 -21.403 1.00 0.00 C ATOM 815 CG GLN A 55 -5.360 31.893 -21.448 1.00 0.00 C ATOM 816 CD GLN A 55 -6.281 32.890 -22.123 1.00 0.00 C ATOM 817 OE1 GLN A 55 -6.695 32.693 -23.266 1.00 0.00 O ATOM 818 NE2 GLN A 55 -6.607 33.967 -21.419 1.00 0.00 N ATOM 0 H GLN A 55 -4.471 33.534 -23.504 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.381 34.381 -20.814 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -3.354 31.869 -22.193 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.472 32.062 -20.455 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -5.410 30.942 -21.978 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.710 31.711 -20.432 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.241 34.089 -20.475 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -7.224 34.672 -21.822 1.00 0.00 H new ATOM 827 N ASN A 56 -1.961 34.547 -20.081 1.00 0.00 N ATOM 828 CA ASN A 56 -0.602 34.944 -19.732 1.00 0.00 C ATOM 829 C ASN A 56 0.224 33.735 -19.302 1.00 0.00 C ATOM 830 O ASN A 56 1.131 33.305 -20.013 1.00 0.00 O ATOM 831 CB ASN A 56 -0.624 35.986 -18.612 1.00 0.00 C ATOM 832 CG ASN A 56 -1.300 37.276 -19.035 1.00 0.00 C ATOM 833 OD1 ASN A 56 -0.726 38.077 -19.773 1.00 0.00 O ATOM 834 ND2 ASN A 56 -2.526 37.482 -18.569 1.00 0.00 N ATOM 0 H ASN A 56 -2.601 34.492 -19.288 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.139 35.382 -20.616 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -1.143 35.574 -17.746 1.00 0.00 H new ATOM 0 HB3 ASN A 56 0.398 36.200 -18.299 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.031 38.332 -18.820 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -2.963 36.790 -17.960 1.00 0.00 H new ATOM 841 N ASN A 57 -0.097 33.192 -18.132 1.00 0.00 N ATOM 842 CA ASN A 57 0.615 32.033 -17.606 1.00 0.00 C ATOM 843 C ASN A 57 0.053 30.739 -18.188 1.00 0.00 C ATOM 844 O ASN A 57 -1.099 30.383 -17.939 1.00 0.00 O ATOM 845 CB ASN A 57 0.523 32.001 -16.079 1.00 0.00 C ATOM 846 CG ASN A 57 1.473 30.993 -15.464 1.00 0.00 C ATOM 847 OD1 ASN A 57 2.681 31.039 -15.697 1.00 0.00 O ATOM 848 ND2 ASN A 57 0.930 30.074 -14.673 1.00 0.00 N ATOM 0 H ASN A 57 -0.845 33.536 -17.530 1.00 0.00 H new ATOM 0 HA ASN A 57 1.662 32.118 -17.898 1.00 0.00 H new ATOM 0 HB2 ASN A 57 0.744 32.992 -15.684 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -0.498 31.760 -15.784 1.00 0.00 H new ATOM 0 HD21 ASN A 57 1.520 29.369 -14.231 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.077 30.074 -14.508 1.00 0.00 H new ATOM 855 N HIS A 58 0.875 30.040 -18.964 1.00 0.00 N ATOM 856 CA HIS A 58 0.461 28.785 -19.581 1.00 0.00 C ATOM 857 C HIS A 58 1.136 27.597 -18.902 1.00 0.00 C ATOM 858 O HIS A 58 2.330 27.359 -19.088 1.00 0.00 O ATOM 859 CB HIS A 58 0.793 28.791 -21.073 1.00 0.00 C ATOM 860 CG HIS A 58 0.390 30.053 -21.771 1.00 0.00 C ATOM 861 ND1 HIS A 58 1.262 31.096 -22.005 1.00 0.00 N ATOM 862 CD2 HIS A 58 -0.800 30.437 -22.289 1.00 0.00 C ATOM 863 CE1 HIS A 58 0.626 32.067 -22.635 1.00 0.00 C ATOM 864 NE2 HIS A 58 -0.627 31.692 -22.820 1.00 0.00 N ATOM 0 H HIS A 58 1.831 30.321 -19.180 1.00 0.00 H new ATOM 0 HA HIS A 58 -0.618 28.687 -19.457 1.00 0.00 H new ATOM 0 HB2 HIS A 58 1.865 28.643 -21.199 1.00 0.00 H new ATOM 0 HB3 HIS A 58 0.296 27.947 -21.551 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -1.715 29.864 -22.286 1.00 0.00 H new ATOM 0 HE1 HIS A 58 1.057 33.007 -22.946 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -1.349 32.245 -23.282 1.00 0.00 H new ATOM 872 N VAL A 59 0.365 26.855 -18.114 1.00 0.00 N ATOM 873 CA VAL A 59 0.889 25.692 -17.407 1.00 0.00 C ATOM 874 C VAL A 59 -0.050 24.499 -17.542 1.00 0.00 C ATOM 875 O VAL A 59 -1.262 24.625 -17.364 1.00 0.00 O ATOM 876 CB VAL A 59 1.106 25.994 -15.913 1.00 0.00 C ATOM 877 CG1 VAL A 59 1.752 24.806 -15.216 1.00 0.00 C ATOM 878 CG2 VAL A 59 1.951 27.247 -15.741 1.00 0.00 C ATOM 0 H VAL A 59 -0.625 27.038 -17.949 1.00 0.00 H new ATOM 0 HA VAL A 59 1.849 25.449 -17.864 1.00 0.00 H new ATOM 0 HB VAL A 59 0.135 26.171 -15.451 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.898 25.038 -14.161 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.105 23.933 -15.310 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.717 24.594 -15.677 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.095 27.446 -14.679 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.920 27.100 -16.217 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.444 28.094 -16.204 1.00 0.00 H new ATOM 888 N CYS A 60 0.517 23.339 -17.857 1.00 0.00 N ATOM 889 CA CYS A 60 -0.269 22.121 -18.016 1.00 0.00 C ATOM 890 C CYS A 60 -0.032 21.165 -16.850 1.00 0.00 C ATOM 891 O CYS A 60 1.081 20.677 -16.650 1.00 0.00 O ATOM 892 CB CYS A 60 0.083 21.431 -19.335 1.00 0.00 C ATOM 893 SG CYS A 60 0.161 19.614 -19.226 1.00 0.00 S ATOM 0 H CYS A 60 1.518 23.217 -18.007 1.00 0.00 H new ATOM 0 HA CYS A 60 -1.323 22.397 -18.028 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -0.657 21.708 -20.086 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.046 21.805 -19.683 1.00 0.00 H new ATOM 898 N TYR A 61 -1.085 20.903 -16.085 1.00 0.00 N ATOM 899 CA TYR A 61 -0.992 20.007 -14.938 1.00 0.00 C ATOM 900 C TYR A 61 -1.545 18.627 -15.278 1.00 0.00 C ATOM 901 O TYR A 61 -2.754 18.401 -15.229 1.00 0.00 O ATOM 902 CB TYR A 61 -1.750 20.592 -13.745 1.00 0.00 C ATOM 903 CG TYR A 61 -1.379 22.025 -13.435 1.00 0.00 C ATOM 904 CD1 TYR A 61 -2.031 23.082 -14.058 1.00 0.00 C ATOM 905 CD2 TYR A 61 -0.376 22.321 -12.520 1.00 0.00 C ATOM 906 CE1 TYR A 61 -1.694 24.393 -13.779 1.00 0.00 C ATOM 907 CE2 TYR A 61 -0.034 23.629 -12.234 1.00 0.00 C ATOM 908 CZ TYR A 61 -0.696 24.661 -12.866 1.00 0.00 C ATOM 909 OH TYR A 61 -0.357 25.965 -12.584 1.00 0.00 O ATOM 0 H TYR A 61 -2.013 21.298 -16.238 1.00 0.00 H new ATOM 0 HA TYR A 61 0.061 19.902 -14.676 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.820 20.537 -13.943 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -1.557 19.977 -12.866 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -2.814 22.876 -14.772 1.00 0.00 H new ATOM 0 HD2 TYR A 61 0.145 21.515 -12.024 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -2.209 25.203 -14.273 1.00 0.00 H new ATOM 0 HE2 TYR A 61 0.747 23.842 -11.520 1.00 0.00 H new ATOM 0 HH TYR A 61 0.363 25.979 -11.920 1.00 0.00 H new ATOM 919 N TRP A 62 -0.651 17.708 -15.622 1.00 0.00 N ATOM 920 CA TRP A 62 -1.047 16.348 -15.971 1.00 0.00 C ATOM 921 C TRP A 62 -1.056 15.451 -14.738 1.00 0.00 C ATOM 922 O TRP A 62 -0.233 15.612 -13.837 1.00 0.00 O ATOM 923 CB TRP A 62 -0.103 15.774 -17.028 1.00 0.00 C ATOM 924 CG TRP A 62 -0.786 14.864 -18.004 1.00 0.00 C ATOM 925 CD1 TRP A 62 -0.800 13.499 -17.980 1.00 0.00 C ATOM 926 CD2 TRP A 62 -1.553 15.256 -19.148 1.00 0.00 C ATOM 927 NE1 TRP A 62 -1.529 13.018 -19.041 1.00 0.00 N ATOM 928 CE2 TRP A 62 -2.002 14.075 -19.772 1.00 0.00 C ATOM 929 CE3 TRP A 62 -1.905 16.488 -19.705 1.00 0.00 C ATOM 930 CZ2 TRP A 62 -2.784 14.094 -20.924 1.00 0.00 C ATOM 931 CZ3 TRP A 62 -2.680 16.505 -20.849 1.00 0.00 C ATOM 932 CH2 TRP A 62 -3.114 15.314 -21.448 1.00 0.00 C ATOM 0 H TRP A 62 0.354 17.879 -15.667 1.00 0.00 H new ATOM 0 HA TRP A 62 -2.057 16.384 -16.379 1.00 0.00 H new ATOM 0 HB2 TRP A 62 0.363 16.595 -17.573 1.00 0.00 H new ATOM 0 HB3 TRP A 62 0.698 15.226 -16.531 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -0.310 12.887 -17.237 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -1.691 12.033 -19.250 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -1.577 17.411 -19.250 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -3.118 13.178 -21.388 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -2.956 17.452 -21.289 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -3.721 15.360 -22.340 1.00 0.00 H new ATOM 943 N GLU A 63 -1.990 14.505 -14.705 1.00 0.00 N ATOM 944 CA GLU A 63 -2.104 13.583 -13.581 1.00 0.00 C ATOM 945 C GLU A 63 -0.728 13.102 -13.131 1.00 0.00 C ATOM 946 O GLU A 63 -0.551 12.676 -11.990 1.00 0.00 O ATOM 947 CB GLU A 63 -2.976 12.385 -13.962 1.00 0.00 C ATOM 948 CG GLU A 63 -2.961 11.269 -12.931 1.00 0.00 C ATOM 949 CD GLU A 63 -3.887 10.126 -13.296 1.00 0.00 C ATOM 950 OE1 GLU A 63 -3.892 9.719 -14.476 1.00 0.00 O ATOM 951 OE2 GLU A 63 -4.607 9.637 -12.400 1.00 0.00 O ATOM 0 H GLU A 63 -2.678 14.357 -15.443 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.572 14.115 -12.753 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.002 12.724 -14.103 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.636 11.989 -14.919 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.945 10.889 -12.827 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.252 11.672 -11.961 1.00 0.00 H new ATOM 958 N GLU A 64 0.243 13.172 -14.036 1.00 0.00 N ATOM 959 CA GLU A 64 1.603 12.742 -13.733 1.00 0.00 C ATOM 960 C GLU A 64 2.601 13.365 -14.705 1.00 0.00 C ATOM 961 O GLU A 64 3.614 12.755 -15.049 1.00 0.00 O ATOM 962 CB GLU A 64 1.704 11.217 -13.788 1.00 0.00 C ATOM 963 CG GLU A 64 1.453 10.640 -15.172 1.00 0.00 C ATOM 964 CD GLU A 64 1.373 9.126 -15.167 1.00 0.00 C ATOM 965 OE1 GLU A 64 1.746 8.515 -14.144 1.00 0.00 O ATOM 966 OE2 GLU A 64 0.937 8.553 -16.188 1.00 0.00 O ATOM 0 H GLU A 64 0.113 13.522 -14.985 1.00 0.00 H new ATOM 0 HA GLU A 64 1.846 13.078 -12.725 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.696 10.915 -13.452 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.986 10.788 -13.089 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.523 11.048 -15.568 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.251 10.956 -15.843 1.00 0.00 H new ATOM 973 N CYS A 65 2.306 14.583 -15.147 1.00 0.00 N ATOM 974 CA CYS A 65 3.175 15.290 -16.080 1.00 0.00 C ATOM 975 C CYS A 65 4.641 15.128 -15.688 1.00 0.00 C ATOM 976 O CYS A 65 5.018 15.272 -14.525 1.00 0.00 O ATOM 977 CB CYS A 65 2.809 16.774 -16.127 1.00 0.00 C ATOM 978 SG CYS A 65 3.264 17.604 -17.683 1.00 0.00 S ATOM 0 H CYS A 65 1.471 15.101 -14.874 1.00 0.00 H new ATOM 0 HA CYS A 65 3.032 14.856 -17.070 1.00 0.00 H new ATOM 0 HB2 CYS A 65 1.735 16.877 -15.973 1.00 0.00 H new ATOM 0 HB3 CYS A 65 3.300 17.285 -15.298 1.00 0.00 H new ATOM 983 N PRO A 66 5.489 14.822 -16.681 1.00 0.00 N ATOM 984 CA PRO A 66 6.926 14.635 -16.465 1.00 0.00 C ATOM 985 C PRO A 66 7.637 15.942 -16.130 1.00 0.00 C ATOM 986 O PRO A 66 8.773 15.937 -15.655 1.00 0.00 O ATOM 987 CB PRO A 66 7.418 14.088 -17.808 1.00 0.00 C ATOM 988 CG PRO A 66 6.432 14.588 -18.805 1.00 0.00 C ATOM 989 CD PRO A 66 5.109 14.635 -18.092 1.00 0.00 C ATOM 0 HA PRO A 66 7.129 13.977 -15.620 1.00 0.00 H new ATOM 0 HB2 PRO A 66 8.424 14.441 -18.035 1.00 0.00 H new ATOM 0 HB3 PRO A 66 7.457 12.999 -17.801 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.713 15.576 -19.171 1.00 0.00 H new ATOM 0 HG3 PRO A 66 6.385 13.929 -19.672 1.00 0.00 H new ATOM 0 HD2 PRO A 66 4.487 15.454 -18.453 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.541 13.716 -18.237 1.00 0.00 H new ATOM 997 N ARG A 67 6.961 17.058 -16.380 1.00 0.00 N ATOM 998 CA ARG A 67 7.529 18.373 -16.105 1.00 0.00 C ATOM 999 C ARG A 67 7.185 18.828 -14.690 1.00 0.00 C ATOM 1000 O ARG A 67 7.976 19.509 -14.038 1.00 0.00 O ATOM 1001 CB ARG A 67 7.016 19.396 -17.120 1.00 0.00 C ATOM 1002 CG ARG A 67 7.434 19.097 -18.550 1.00 0.00 C ATOM 1003 CD ARG A 67 8.929 19.290 -18.746 1.00 0.00 C ATOM 1004 NE ARG A 67 9.702 18.185 -18.186 1.00 0.00 N ATOM 1005 CZ ARG A 67 11.029 18.170 -18.132 1.00 0.00 C ATOM 1006 NH1 ARG A 67 11.727 19.195 -18.601 1.00 0.00 N ATOM 1007 NH2 ARG A 67 11.661 17.128 -17.607 1.00 0.00 N ATOM 0 H ARG A 67 6.020 17.079 -16.772 1.00 0.00 H new ATOM 0 HA ARG A 67 8.613 18.298 -16.191 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.928 19.432 -17.068 1.00 0.00 H new ATOM 0 HB3 ARG A 67 7.381 20.385 -16.843 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.162 18.072 -18.803 1.00 0.00 H new ATOM 0 HG3 ARG A 67 6.889 19.749 -19.233 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.146 19.381 -19.810 1.00 0.00 H new ATOM 0 HD3 ARG A 67 9.239 20.224 -18.276 1.00 0.00 H new ATOM 0 HE ARG A 67 9.195 17.381 -17.816 1.00 0.00 H new ATOM 0 HH11 ARG A 67 11.245 19.998 -19.005 1.00 0.00 H new ATOM 0 HH12 ARG A 67 12.746 19.180 -18.558 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.128 16.338 -17.245 1.00 0.00 H new ATOM 0 HH22 ARG A 67 12.680 17.117 -17.566 1.00 0.00 H new ATOM 1021 N GLU A 68 6.000 18.447 -14.222 1.00 0.00 N ATOM 1022 CA GLU A 68 5.553 18.818 -12.885 1.00 0.00 C ATOM 1023 C GLU A 68 5.156 20.291 -12.833 1.00 0.00 C ATOM 1024 O GLU A 68 5.447 20.990 -11.864 1.00 0.00 O ATOM 1025 CB GLU A 68 6.652 18.539 -11.859 1.00 0.00 C ATOM 1026 CG GLU A 68 7.389 17.231 -12.097 1.00 0.00 C ATOM 1027 CD GLU A 68 8.344 16.886 -10.970 1.00 0.00 C ATOM 1028 OE1 GLU A 68 7.865 16.578 -9.859 1.00 0.00 O ATOM 1029 OE2 GLU A 68 9.571 16.924 -11.201 1.00 0.00 O ATOM 0 H GLU A 68 5.333 17.882 -14.749 1.00 0.00 H new ATOM 0 HA GLU A 68 4.678 18.214 -12.643 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.370 19.359 -11.876 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.211 18.522 -10.862 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.664 16.426 -12.213 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.945 17.297 -13.032 1.00 0.00 H new ATOM 1036 N GLY A 69 4.488 20.755 -13.885 1.00 0.00 N ATOM 1037 CA GLY A 69 4.063 22.142 -13.941 1.00 0.00 C ATOM 1038 C GLY A 69 5.129 23.053 -14.515 1.00 0.00 C ATOM 1039 O GLY A 69 4.826 24.132 -15.024 1.00 0.00 O ATOM 0 H GLY A 69 4.234 20.196 -14.699 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.160 22.218 -14.547 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.803 22.480 -12.938 1.00 0.00 H new ATOM 1043 N LYS A 70 6.382 22.619 -14.434 1.00 0.00 N ATOM 1044 CA LYS A 70 7.499 23.403 -14.949 1.00 0.00 C ATOM 1045 C LYS A 70 7.116 24.106 -16.247 1.00 0.00 C ATOM 1046 O LYS A 70 7.223 23.532 -17.331 1.00 0.00 O ATOM 1047 CB LYS A 70 8.715 22.503 -15.183 1.00 0.00 C ATOM 1048 CG LYS A 70 10.041 23.189 -14.904 1.00 0.00 C ATOM 1049 CD LYS A 70 10.667 23.732 -16.177 1.00 0.00 C ATOM 1050 CE LYS A 70 12.123 24.117 -15.962 1.00 0.00 C ATOM 1051 NZ LYS A 70 12.256 25.474 -15.364 1.00 0.00 N ATOM 0 H LYS A 70 6.650 21.728 -14.016 1.00 0.00 H new ATOM 0 HA LYS A 70 7.753 24.160 -14.207 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.631 21.621 -14.548 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.706 22.155 -16.216 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.888 24.004 -14.196 1.00 0.00 H new ATOM 0 HG3 LYS A 70 10.725 22.483 -14.434 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.600 22.982 -16.965 1.00 0.00 H new ATOM 0 HD3 LYS A 70 10.106 24.602 -16.517 1.00 0.00 H new ATOM 0 HE2 LYS A 70 12.600 23.385 -15.310 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.651 24.087 -16.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 13.263 25.699 -15.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.824 26.176 -15.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 11.774 25.496 -14.443 1.00 0.00 H new ATOM 1065 N SER A 71 6.671 25.353 -16.131 1.00 0.00 N ATOM 1066 CA SER A 71 6.271 26.134 -17.295 1.00 0.00 C ATOM 1067 C SER A 71 7.433 26.289 -18.271 1.00 0.00 C ATOM 1068 O SER A 71 8.505 25.717 -18.074 1.00 0.00 O ATOM 1069 CB SER A 71 5.766 27.512 -16.862 1.00 0.00 C ATOM 1070 OG SER A 71 5.458 28.319 -17.986 1.00 0.00 O ATOM 0 H SER A 71 6.578 25.844 -15.242 1.00 0.00 H new ATOM 0 HA SER A 71 5.465 25.601 -17.799 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.879 27.398 -16.238 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.523 28.005 -16.253 1.00 0.00 H new ATOM 0 HG SER A 71 5.136 29.193 -17.683 1.00 0.00 H new ATOM 1076 N PHE A 72 7.212 27.068 -19.325 1.00 0.00 N ATOM 1077 CA PHE A 72 8.240 27.298 -20.334 1.00 0.00 C ATOM 1078 C PHE A 72 8.303 28.774 -20.718 1.00 0.00 C ATOM 1079 O PHE A 72 8.917 29.141 -21.720 1.00 0.00 O ATOM 1080 CB PHE A 72 7.965 26.448 -21.576 1.00 0.00 C ATOM 1081 CG PHE A 72 7.510 25.052 -21.258 1.00 0.00 C ATOM 1082 CD1 PHE A 72 6.238 24.821 -20.759 1.00 0.00 C ATOM 1083 CD2 PHE A 72 8.354 23.972 -21.458 1.00 0.00 C ATOM 1084 CE1 PHE A 72 5.816 23.538 -20.466 1.00 0.00 C ATOM 1085 CE2 PHE A 72 7.937 22.687 -21.168 1.00 0.00 C ATOM 1086 CZ PHE A 72 6.667 22.470 -20.670 1.00 0.00 C ATOM 0 H PHE A 72 6.331 27.550 -19.503 1.00 0.00 H new ATOM 0 HA PHE A 72 9.202 27.009 -19.910 1.00 0.00 H new ATOM 0 HB2 PHE A 72 7.205 26.940 -22.182 1.00 0.00 H new ATOM 0 HB3 PHE A 72 8.871 26.398 -22.180 1.00 0.00 H new ATOM 0 HD1 PHE A 72 5.569 25.653 -20.597 1.00 0.00 H new ATOM 0 HD2 PHE A 72 9.349 24.136 -21.845 1.00 0.00 H new ATOM 0 HE1 PHE A 72 4.822 23.371 -20.078 1.00 0.00 H new ATOM 0 HE2 PHE A 72 8.604 21.853 -21.331 1.00 0.00 H new ATOM 0 HZ PHE A 72 6.340 21.467 -20.441 1.00 0.00 H new ATOM 1096 N LYS A 73 7.665 29.616 -19.913 1.00 0.00 N ATOM 1097 CA LYS A 73 7.648 31.052 -20.166 1.00 0.00 C ATOM 1098 C LYS A 73 7.374 31.342 -21.638 1.00 0.00 C ATOM 1099 O LYS A 73 7.748 32.396 -22.153 1.00 0.00 O ATOM 1100 CB LYS A 73 8.980 31.680 -19.750 1.00 0.00 C ATOM 1101 CG LYS A 73 9.233 31.636 -18.253 1.00 0.00 C ATOM 1102 CD LYS A 73 10.088 32.806 -17.797 1.00 0.00 C ATOM 1103 CE LYS A 73 11.548 32.610 -18.175 1.00 0.00 C ATOM 1104 NZ LYS A 73 12.238 31.668 -17.251 1.00 0.00 N ATOM 0 H LYS A 73 7.152 29.329 -19.079 1.00 0.00 H new ATOM 0 HA LYS A 73 6.846 31.491 -19.572 1.00 0.00 H new ATOM 0 HB2 LYS A 73 9.791 31.163 -20.262 1.00 0.00 H new ATOM 0 HB3 LYS A 73 9.003 32.718 -20.083 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.281 31.651 -17.722 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.728 30.700 -17.994 1.00 0.00 H new ATOM 0 HD2 LYS A 73 9.715 33.727 -18.246 1.00 0.00 H new ATOM 0 HD3 LYS A 73 10.003 32.921 -16.716 1.00 0.00 H new ATOM 0 HE2 LYS A 73 11.611 32.230 -19.195 1.00 0.00 H new ATOM 0 HE3 LYS A 73 12.059 33.573 -18.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 13.239 31.587 -17.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 12.170 32.025 -16.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 11.787 30.733 -17.309 1.00 0.00 H new ATOM 1118 N ALA A 74 6.719 30.402 -22.310 1.00 0.00 N ATOM 1119 CA ALA A 74 6.393 30.559 -23.722 1.00 0.00 C ATOM 1120 C ALA A 74 5.139 29.771 -24.087 1.00 0.00 C ATOM 1121 O ALA A 74 4.663 28.946 -23.307 1.00 0.00 O ATOM 1122 CB ALA A 74 7.565 30.118 -24.587 1.00 0.00 C ATOM 0 H ALA A 74 6.403 29.523 -21.899 1.00 0.00 H new ATOM 0 HA ALA A 74 6.195 31.615 -23.908 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.307 30.241 -25.639 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.439 30.727 -24.354 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.790 29.070 -24.388 1.00 0.00 H new ATOM 1128 N LYS A 75 4.607 30.031 -25.276 1.00 0.00 N ATOM 1129 CA LYS A 75 3.409 29.347 -25.746 1.00 0.00 C ATOM 1130 C LYS A 75 3.772 28.111 -26.563 1.00 0.00 C ATOM 1131 O LYS A 75 3.380 26.994 -26.225 1.00 0.00 O ATOM 1132 CB LYS A 75 2.552 30.295 -26.588 1.00 0.00 C ATOM 1133 CG LYS A 75 1.109 29.843 -26.734 1.00 0.00 C ATOM 1134 CD LYS A 75 0.295 30.163 -25.492 1.00 0.00 C ATOM 1135 CE LYS A 75 -1.168 30.404 -25.831 1.00 0.00 C ATOM 1136 NZ LYS A 75 -1.980 29.163 -25.695 1.00 0.00 N ATOM 0 H LYS A 75 4.988 30.712 -25.933 1.00 0.00 H new ATOM 0 HA LYS A 75 2.838 29.029 -24.874 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.569 31.286 -26.135 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.996 30.390 -27.579 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.660 30.330 -27.600 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.080 28.770 -26.922 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.374 29.340 -24.782 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.707 31.046 -25.004 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.571 31.175 -25.175 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.247 30.780 -26.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.546 29.022 -26.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.348 28.348 -25.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -2.614 29.251 -24.875 1.00 0.00 H new ATOM 1150 N TYR A 76 4.524 28.319 -27.638 1.00 0.00 N ATOM 1151 CA TYR A 76 4.940 27.222 -28.504 1.00 0.00 C ATOM 1152 C TYR A 76 5.763 26.198 -27.728 1.00 0.00 C ATOM 1153 O TYR A 76 6.018 25.094 -28.211 1.00 0.00 O ATOM 1154 CB TYR A 76 5.752 27.756 -29.685 1.00 0.00 C ATOM 1155 CG TYR A 76 7.128 28.250 -29.300 1.00 0.00 C ATOM 1156 CD1 TYR A 76 7.323 29.555 -28.864 1.00 0.00 C ATOM 1157 CD2 TYR A 76 8.233 27.411 -29.371 1.00 0.00 C ATOM 1158 CE1 TYR A 76 8.579 30.010 -28.512 1.00 0.00 C ATOM 1159 CE2 TYR A 76 9.493 27.857 -29.020 1.00 0.00 C ATOM 1160 CZ TYR A 76 9.661 29.157 -28.591 1.00 0.00 C ATOM 1161 OH TYR A 76 10.913 29.606 -28.240 1.00 0.00 O ATOM 0 H TYR A 76 4.858 29.237 -27.931 1.00 0.00 H new ATOM 0 HA TYR A 76 4.043 26.730 -28.881 1.00 0.00 H new ATOM 0 HB2 TYR A 76 5.854 26.968 -30.431 1.00 0.00 H new ATOM 0 HB3 TYR A 76 5.201 28.571 -30.155 1.00 0.00 H new ATOM 0 HD1 TYR A 76 6.478 30.225 -28.799 1.00 0.00 H new ATOM 0 HD2 TYR A 76 8.105 26.392 -29.706 1.00 0.00 H new ATOM 0 HE1 TYR A 76 8.713 31.028 -28.177 1.00 0.00 H new ATOM 0 HE2 TYR A 76 10.341 27.191 -29.081 1.00 0.00 H new ATOM 0 HH TYR A 76 11.563 28.882 -28.351 1.00 0.00 H new ATOM 1171 N LYS A 77 6.176 26.571 -26.522 1.00 0.00 N ATOM 1172 CA LYS A 77 6.968 25.687 -25.676 1.00 0.00 C ATOM 1173 C LYS A 77 6.071 24.729 -24.900 1.00 0.00 C ATOM 1174 O LYS A 77 6.385 23.546 -24.757 1.00 0.00 O ATOM 1175 CB LYS A 77 7.820 26.506 -24.704 1.00 0.00 C ATOM 1176 CG LYS A 77 8.914 27.311 -25.383 1.00 0.00 C ATOM 1177 CD LYS A 77 9.522 26.552 -26.550 1.00 0.00 C ATOM 1178 CE LYS A 77 10.041 25.189 -26.119 1.00 0.00 C ATOM 1179 NZ LYS A 77 9.946 24.187 -27.217 1.00 0.00 N ATOM 0 H LYS A 77 5.975 27.481 -26.108 1.00 0.00 H new ATOM 0 HA LYS A 77 7.624 25.101 -26.319 1.00 0.00 H new ATOM 0 HB2 LYS A 77 7.172 27.185 -24.149 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.274 25.833 -23.976 1.00 0.00 H new ATOM 0 HG2 LYS A 77 8.504 28.257 -25.737 1.00 0.00 H new ATOM 0 HG3 LYS A 77 9.693 27.552 -24.659 1.00 0.00 H new ATOM 0 HD2 LYS A 77 8.774 26.427 -27.333 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.338 27.134 -26.979 1.00 0.00 H new ATOM 0 HE2 LYS A 77 11.079 25.280 -25.799 1.00 0.00 H new ATOM 0 HE3 LYS A 77 9.472 24.839 -25.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 9.944 23.229 -26.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 9.067 24.339 -27.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 10.761 24.293 -27.855 1.00 0.00 H new ATOM 1193 N LEU A 78 4.953 25.245 -24.401 1.00 0.00 N ATOM 1194 CA LEU A 78 4.009 24.434 -23.640 1.00 0.00 C ATOM 1195 C LEU A 78 3.089 23.651 -24.572 1.00 0.00 C ATOM 1196 O LEU A 78 2.777 22.488 -24.319 1.00 0.00 O ATOM 1197 CB LEU A 78 3.178 25.321 -22.711 1.00 0.00 C ATOM 1198 CG LEU A 78 1.901 24.695 -22.151 1.00 0.00 C ATOM 1199 CD1 LEU A 78 2.206 23.357 -21.495 1.00 0.00 C ATOM 1200 CD2 LEU A 78 1.236 25.637 -21.159 1.00 0.00 C ATOM 0 H LEU A 78 4.678 26.221 -24.510 1.00 0.00 H new ATOM 0 HA LEU A 78 4.578 23.724 -23.041 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.807 25.626 -21.874 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.907 26.227 -23.253 1.00 0.00 H new ATOM 0 HG LEU A 78 1.211 24.523 -22.977 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.285 22.926 -21.102 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.638 22.680 -22.232 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.914 23.505 -20.680 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.328 25.175 -20.771 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.921 25.841 -20.336 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.982 26.572 -21.659 1.00 0.00 H new ATOM 1212 N VAL A 79 2.660 24.297 -25.651 1.00 0.00 N ATOM 1213 CA VAL A 79 1.779 23.660 -26.623 1.00 0.00 C ATOM 1214 C VAL A 79 2.434 22.426 -27.233 1.00 0.00 C ATOM 1215 O VAL A 79 1.808 21.373 -27.350 1.00 0.00 O ATOM 1216 CB VAL A 79 1.393 24.634 -27.753 1.00 0.00 C ATOM 1217 CG1 VAL A 79 0.710 23.889 -28.889 1.00 0.00 C ATOM 1218 CG2 VAL A 79 0.499 25.742 -27.218 1.00 0.00 C ATOM 0 H VAL A 79 2.908 25.261 -25.874 1.00 0.00 H new ATOM 0 HA VAL A 79 0.878 23.362 -26.086 1.00 0.00 H new ATOM 0 HB VAL A 79 2.303 25.089 -28.144 1.00 0.00 H new ATOM 0 HG11 VAL A 79 0.445 24.593 -29.678 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.388 23.135 -29.289 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.193 23.405 -28.516 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.236 26.421 -28.029 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.409 25.307 -26.800 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.028 26.293 -26.441 1.00 0.00 H new ATOM 1228 N ASN A 80 3.698 22.563 -27.619 1.00 0.00 N ATOM 1229 CA ASN A 80 4.438 21.458 -28.217 1.00 0.00 C ATOM 1230 C ASN A 80 4.643 20.332 -27.209 1.00 0.00 C ATOM 1231 O ASN A 80 4.769 19.165 -27.583 1.00 0.00 O ATOM 1232 CB ASN A 80 5.793 21.946 -28.735 1.00 0.00 C ATOM 1233 CG ASN A 80 6.863 20.874 -28.656 1.00 0.00 C ATOM 1234 OD1 ASN A 80 6.630 19.722 -29.021 1.00 0.00 O ATOM 1235 ND2 ASN A 80 8.043 21.250 -28.177 1.00 0.00 N ATOM 0 H ASN A 80 4.231 23.428 -27.528 1.00 0.00 H new ATOM 0 HA ASN A 80 3.854 21.072 -29.052 1.00 0.00 H new ATOM 0 HB2 ASN A 80 5.687 22.274 -29.769 1.00 0.00 H new ATOM 0 HB3 ASN A 80 6.109 22.814 -28.156 1.00 0.00 H new ATOM 0 HD21 ASN A 80 8.801 20.572 -28.100 1.00 0.00 H new ATOM 0 HD22 ASN A 80 8.191 22.216 -27.886 1.00 0.00 H new ATOM 1242 N HIS A 81 4.674 20.688 -25.929 1.00 0.00 N ATOM 1243 CA HIS A 81 4.862 19.707 -24.866 1.00 0.00 C ATOM 1244 C HIS A 81 3.665 18.766 -24.779 1.00 0.00 C ATOM 1245 O HIS A 81 3.826 17.546 -24.717 1.00 0.00 O ATOM 1246 CB HIS A 81 5.072 20.411 -23.525 1.00 0.00 C ATOM 1247 CG HIS A 81 4.466 19.682 -22.365 1.00 0.00 C ATOM 1248 ND1 HIS A 81 5.081 18.618 -21.741 1.00 0.00 N ATOM 1249 CD2 HIS A 81 3.293 19.872 -21.716 1.00 0.00 C ATOM 1250 CE1 HIS A 81 4.312 18.183 -20.758 1.00 0.00 C ATOM 1251 NE2 HIS A 81 3.221 18.927 -20.722 1.00 0.00 N ATOM 0 H HIS A 81 4.571 21.649 -25.602 1.00 0.00 H new ATOM 0 HA HIS A 81 5.749 19.118 -25.100 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.141 20.530 -23.350 1.00 0.00 H new ATOM 0 HB3 HIS A 81 4.644 21.412 -23.578 1.00 0.00 H new ATOM 0 HD1 HIS A 81 5.988 18.227 -21.998 1.00 0.00 H new ATOM 0 HD2 HIS A 81 2.552 20.626 -21.938 1.00 0.00 H new ATOM 0 HE1 HIS A 81 4.537 17.359 -20.097 1.00 0.00 H new ATOM 1259 N ILE A 82 2.467 19.339 -24.773 1.00 0.00 N ATOM 1260 CA ILE A 82 1.243 18.551 -24.693 1.00 0.00 C ATOM 1261 C ILE A 82 1.223 17.457 -25.756 1.00 0.00 C ATOM 1262 O ILE A 82 0.531 16.449 -25.611 1.00 0.00 O ATOM 1263 CB ILE A 82 -0.008 19.434 -24.858 1.00 0.00 C ATOM 1264 CG1 ILE A 82 0.168 20.751 -24.100 1.00 0.00 C ATOM 1265 CG2 ILE A 82 -1.245 18.696 -24.368 1.00 0.00 C ATOM 1266 CD1 ILE A 82 -1.126 21.507 -23.894 1.00 0.00 C ATOM 0 H ILE A 82 2.317 20.347 -24.823 1.00 0.00 H new ATOM 0 HA ILE A 82 1.227 18.094 -23.704 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.139 19.660 -25.916 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.617 20.545 -23.129 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.867 21.385 -24.646 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -2.121 19.333 -24.491 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.377 17.782 -24.947 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.125 18.444 -23.314 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.925 22.430 -23.350 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.567 21.745 -24.862 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.820 20.892 -23.321 1.00 0.00 H new ATOM 1278 N ARG A 83 1.989 17.663 -26.822 1.00 0.00 N ATOM 1279 CA ARG A 83 2.060 16.694 -27.910 1.00 0.00 C ATOM 1280 C ARG A 83 2.496 15.327 -27.392 1.00 0.00 C ATOM 1281 O ARG A 83 2.089 14.292 -27.921 1.00 0.00 O ATOM 1282 CB ARG A 83 3.031 17.177 -28.988 1.00 0.00 C ATOM 1283 CG ARG A 83 2.717 18.568 -29.513 1.00 0.00 C ATOM 1284 CD ARG A 83 1.286 18.663 -30.020 1.00 0.00 C ATOM 1285 NE ARG A 83 0.965 17.588 -30.955 1.00 0.00 N ATOM 1286 CZ ARG A 83 1.439 17.527 -32.195 1.00 0.00 C ATOM 1287 NH1 ARG A 83 2.252 18.473 -32.645 1.00 0.00 N ATOM 1288 NH2 ARG A 83 1.101 16.517 -32.987 1.00 0.00 N ATOM 0 H ARG A 83 2.569 18.491 -26.956 1.00 0.00 H new ATOM 0 HA ARG A 83 1.065 16.598 -28.344 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.043 17.171 -28.582 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.017 16.472 -29.820 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.873 19.301 -28.721 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.407 18.818 -30.319 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.599 18.626 -29.175 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.138 19.626 -30.509 1.00 0.00 H new ATOM 0 HE ARG A 83 0.343 16.844 -30.639 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.515 19.250 -32.039 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.614 18.424 -33.597 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.477 15.787 -32.644 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.465 16.471 -33.939 1.00 0.00 H new ATOM 1302 N VAL A 84 3.326 15.330 -26.354 1.00 0.00 N ATOM 1303 CA VAL A 84 3.817 14.090 -25.764 1.00 0.00 C ATOM 1304 C VAL A 84 2.733 13.407 -24.939 1.00 0.00 C ATOM 1305 O VAL A 84 2.771 12.194 -24.726 1.00 0.00 O ATOM 1306 CB VAL A 84 5.045 14.342 -24.869 1.00 0.00 C ATOM 1307 CG1 VAL A 84 6.038 15.257 -25.570 1.00 0.00 C ATOM 1308 CG2 VAL A 84 4.618 14.929 -23.532 1.00 0.00 C ATOM 0 H VAL A 84 3.673 16.177 -25.904 1.00 0.00 H new ATOM 0 HA VAL A 84 4.105 13.439 -26.590 1.00 0.00 H new ATOM 0 HB VAL A 84 5.537 13.388 -24.680 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.899 15.424 -24.923 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.367 14.792 -26.499 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.560 16.211 -25.791 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.498 15.101 -22.912 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.101 15.874 -23.698 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.948 14.233 -23.026 1.00 0.00 H new ATOM 1318 N HIS A 85 1.765 14.192 -24.477 1.00 0.00 N ATOM 1319 CA HIS A 85 0.668 13.663 -23.675 1.00 0.00 C ATOM 1320 C HIS A 85 -0.271 12.817 -24.530 1.00 0.00 C ATOM 1321 O HIS A 85 -1.112 12.084 -24.009 1.00 0.00 O ATOM 1322 CB HIS A 85 -0.110 14.804 -23.020 1.00 0.00 C ATOM 1323 CG HIS A 85 0.592 15.410 -21.844 1.00 0.00 C ATOM 1324 ND1 HIS A 85 1.608 14.773 -21.163 1.00 0.00 N ATOM 1325 CD2 HIS A 85 0.420 16.604 -21.229 1.00 0.00 C ATOM 1326 CE1 HIS A 85 2.029 15.547 -20.180 1.00 0.00 C ATOM 1327 NE2 HIS A 85 1.325 16.664 -20.198 1.00 0.00 N ATOM 0 H HIS A 85 1.718 15.197 -24.644 1.00 0.00 H new ATOM 0 HA HIS A 85 1.093 13.029 -22.896 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -0.294 15.580 -23.763 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -1.083 14.432 -22.700 1.00 0.00 H new ATOM 0 HD1 HIS A 85 1.977 13.848 -21.384 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -0.295 17.367 -21.499 1.00 0.00 H new ATOM 0 HE1 HIS A 85 2.816 15.307 -19.480 1.00 0.00 H new ATOM 1335 N THR A 86 -0.121 12.923 -25.847 1.00 0.00 N ATOM 1336 CA THR A 86 -0.956 12.170 -26.774 1.00 0.00 C ATOM 1337 C THR A 86 -0.370 10.788 -27.043 1.00 0.00 C ATOM 1338 O THR A 86 -0.990 9.770 -26.738 1.00 0.00 O ATOM 1339 CB THR A 86 -1.121 12.914 -28.113 1.00 0.00 C ATOM 1340 OG1 THR A 86 0.067 12.777 -28.900 1.00 0.00 O ATOM 1341 CG2 THR A 86 -1.414 14.388 -27.879 1.00 0.00 C ATOM 0 H THR A 86 0.571 13.523 -26.295 1.00 0.00 H new ATOM 0 HA THR A 86 -1.933 12.063 -26.303 1.00 0.00 H new ATOM 0 HB THR A 86 -1.962 12.473 -28.648 1.00 0.00 H new ATOM 0 HG1 THR A 86 0.735 13.429 -28.601 1.00 0.00 H new ATOM 0 HG21 THR A 86 -1.527 14.893 -28.838 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.335 14.489 -27.305 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.590 14.839 -27.326 1.00 0.00 H new ATOM 1349 N GLY A 87 0.829 10.760 -27.617 1.00 0.00 N ATOM 1350 CA GLY A 87 1.478 9.497 -27.917 1.00 0.00 C ATOM 1351 C GLY A 87 0.551 8.519 -28.612 1.00 0.00 C ATOM 1352 O GLY A 87 0.360 7.397 -28.144 1.00 0.00 O ATOM 0 H GLY A 87 1.362 11.589 -27.879 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.348 9.680 -28.548 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.844 9.051 -26.992 1.00 0.00 H new ATOM 1356 N GLU A 88 -0.027 8.946 -29.730 1.00 0.00 N ATOM 1357 CA GLU A 88 -0.940 8.100 -30.488 1.00 0.00 C ATOM 1358 C GLU A 88 -0.182 6.988 -31.207 1.00 0.00 C ATOM 1359 O GLU A 88 0.643 7.249 -32.083 1.00 0.00 O ATOM 1360 CB GLU A 88 -1.723 8.936 -31.502 1.00 0.00 C ATOM 1361 CG GLU A 88 -3.108 8.389 -31.803 1.00 0.00 C ATOM 1362 CD GLU A 88 -3.910 9.298 -32.714 1.00 0.00 C ATOM 1363 OE1 GLU A 88 -3.445 10.426 -32.984 1.00 0.00 O ATOM 1364 OE2 GLU A 88 -5.002 8.884 -33.156 1.00 0.00 O ATOM 0 H GLU A 88 0.121 9.872 -30.130 1.00 0.00 H new ATOM 0 HA GLU A 88 -1.639 7.645 -29.786 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.818 9.954 -31.124 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.154 8.992 -32.430 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -3.014 7.407 -32.267 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.650 8.248 -30.868 1.00 0.00 H new ATOM 1371 N LYS A 89 -0.467 5.746 -30.830 1.00 0.00 N ATOM 1372 CA LYS A 89 0.186 4.593 -31.438 1.00 0.00 C ATOM 1373 C LYS A 89 -0.826 3.493 -31.743 1.00 0.00 C ATOM 1374 O LYS A 89 -1.862 3.370 -31.089 1.00 0.00 O ATOM 1375 CB LYS A 89 1.278 4.053 -30.512 1.00 0.00 C ATOM 1376 CG LYS A 89 2.252 5.116 -30.035 1.00 0.00 C ATOM 1377 CD LYS A 89 3.068 5.682 -31.185 1.00 0.00 C ATOM 1378 CE LYS A 89 4.313 4.848 -31.448 1.00 0.00 C ATOM 1379 NZ LYS A 89 5.341 5.611 -32.209 1.00 0.00 N ATOM 0 H LYS A 89 -1.146 5.512 -30.106 1.00 0.00 H new ATOM 0 HA LYS A 89 0.639 4.916 -32.375 1.00 0.00 H new ATOM 0 HB2 LYS A 89 0.810 3.586 -29.645 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.832 3.273 -31.034 1.00 0.00 H new ATOM 0 HG2 LYS A 89 1.703 5.921 -29.547 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.921 4.689 -29.289 1.00 0.00 H new ATOM 0 HD2 LYS A 89 2.455 5.716 -32.085 1.00 0.00 H new ATOM 0 HD3 LYS A 89 3.357 6.708 -30.957 1.00 0.00 H new ATOM 0 HE2 LYS A 89 4.735 4.516 -30.499 1.00 0.00 H new ATOM 0 HE3 LYS A 89 4.039 3.952 -32.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 6.052 4.953 -32.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 4.886 6.118 -32.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 5.803 6.296 -31.577 1.00 0.00 H new ATOM 1393 N PRO A 90 -0.521 2.672 -32.759 1.00 0.00 N ATOM 1394 CA PRO A 90 -1.390 1.567 -33.173 1.00 0.00 C ATOM 1395 C PRO A 90 -1.425 0.441 -32.145 1.00 0.00 C ATOM 1396 O PRO A 90 -2.496 -0.003 -31.730 1.00 0.00 O ATOM 1397 CB PRO A 90 -0.752 1.081 -34.477 1.00 0.00 C ATOM 1398 CG PRO A 90 0.680 1.477 -34.367 1.00 0.00 C ATOM 1399 CD PRO A 90 0.697 2.760 -33.583 1.00 0.00 C ATOM 0 HA PRO A 90 -2.427 1.884 -33.283 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -0.857 0.002 -34.591 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -1.225 1.541 -35.345 1.00 0.00 H new ATOM 0 HG2 PRO A 90 1.261 0.704 -33.863 1.00 0.00 H new ATOM 0 HG3 PRO A 90 1.123 1.617 -35.353 1.00 0.00 H new ATOM 0 HD2 PRO A 90 1.593 2.843 -32.968 1.00 0.00 H new ATOM 0 HD3 PRO A 90 0.677 3.631 -34.238 1.00 0.00 H new ATOM 1407 N PHE A 91 -0.246 -0.018 -31.737 1.00 0.00 N ATOM 1408 CA PHE A 91 -0.141 -1.093 -30.757 1.00 0.00 C ATOM 1409 C PHE A 91 1.202 -1.042 -30.036 1.00 0.00 C ATOM 1410 O PHE A 91 2.267 -1.135 -30.646 1.00 0.00 O ATOM 1411 CB PHE A 91 -0.316 -2.452 -31.439 1.00 0.00 C ATOM 1412 CG PHE A 91 0.121 -2.462 -32.876 1.00 0.00 C ATOM 1413 CD1 PHE A 91 1.463 -2.557 -33.206 1.00 0.00 C ATOM 1414 CD2 PHE A 91 -0.812 -2.376 -33.898 1.00 0.00 C ATOM 1415 CE1 PHE A 91 1.867 -2.565 -34.527 1.00 0.00 C ATOM 1416 CE2 PHE A 91 -0.413 -2.385 -35.221 1.00 0.00 C ATOM 1417 CZ PHE A 91 0.928 -2.481 -35.537 1.00 0.00 C ATOM 0 H PHE A 91 0.650 0.338 -32.070 1.00 0.00 H new ATOM 0 HA PHE A 91 -0.934 -0.959 -30.021 1.00 0.00 H new ATOM 0 HB2 PHE A 91 0.253 -3.201 -30.889 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -1.365 -2.745 -31.384 1.00 0.00 H new ATOM 0 HD1 PHE A 91 2.202 -2.626 -32.421 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -1.862 -2.301 -33.657 1.00 0.00 H new ATOM 0 HE1 PHE A 91 2.917 -2.637 -34.770 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -1.150 -2.317 -36.008 1.00 0.00 H new ATOM 0 HZ PHE A 91 1.242 -2.490 -36.570 1.00 0.00 H new ATOM 1427 N PRO A 92 1.153 -0.891 -28.704 1.00 0.00 N ATOM 1428 CA PRO A 92 2.356 -0.824 -27.870 1.00 0.00 C ATOM 1429 C PRO A 92 3.080 -2.163 -27.788 1.00 0.00 C ATOM 1430 O PRO A 92 2.834 -3.063 -28.592 1.00 0.00 O ATOM 1431 CB PRO A 92 1.813 -0.425 -26.495 1.00 0.00 C ATOM 1432 CG PRO A 92 0.402 -0.903 -26.492 1.00 0.00 C ATOM 1433 CD PRO A 92 -0.082 -0.773 -27.910 1.00 0.00 C ATOM 0 HA PRO A 92 3.092 -0.127 -28.272 1.00 0.00 H new ATOM 0 HB2 PRO A 92 2.389 -0.886 -25.693 1.00 0.00 H new ATOM 0 HB3 PRO A 92 1.866 0.653 -26.346 1.00 0.00 H new ATOM 0 HG2 PRO A 92 0.341 -1.937 -26.152 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -0.210 -0.308 -25.814 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -0.799 -1.554 -28.163 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -0.579 0.182 -28.079 1.00 0.00 H new ATOM 1441 N CYS A 93 3.974 -2.290 -26.813 1.00 0.00 N ATOM 1442 CA CYS A 93 4.734 -3.519 -26.626 1.00 0.00 C ATOM 1443 C CYS A 93 4.002 -4.474 -25.687 1.00 0.00 C ATOM 1444 O CYS A 93 3.487 -4.082 -24.640 1.00 0.00 O ATOM 1445 CB CYS A 93 6.124 -3.205 -26.069 1.00 0.00 C ATOM 1446 SG CYS A 93 7.191 -4.667 -25.863 1.00 0.00 S ATOM 0 H CYS A 93 4.190 -1.555 -26.139 1.00 0.00 H new ATOM 0 HA CYS A 93 4.840 -4.002 -27.597 1.00 0.00 H new ATOM 0 HB2 CYS A 93 6.619 -2.498 -26.735 1.00 0.00 H new ATOM 0 HB3 CYS A 93 6.014 -2.710 -25.104 1.00 0.00 H new ATOM 1451 N PRO A 94 3.954 -5.759 -26.070 1.00 0.00 N ATOM 1452 CA PRO A 94 3.288 -6.797 -25.277 1.00 0.00 C ATOM 1453 C PRO A 94 4.036 -7.107 -23.984 1.00 0.00 C ATOM 1454 O PRO A 94 3.461 -7.640 -23.035 1.00 0.00 O ATOM 1455 CB PRO A 94 3.298 -8.013 -26.205 1.00 0.00 C ATOM 1456 CG PRO A 94 4.455 -7.786 -27.116 1.00 0.00 C ATOM 1457 CD PRO A 94 4.546 -6.297 -27.306 1.00 0.00 C ATOM 0 HA PRO A 94 2.290 -6.492 -24.962 1.00 0.00 H new ATOM 0 HB2 PRO A 94 3.413 -8.939 -25.642 1.00 0.00 H new ATOM 0 HB3 PRO A 94 2.365 -8.093 -26.763 1.00 0.00 H new ATOM 0 HG2 PRO A 94 5.375 -8.181 -26.685 1.00 0.00 H new ATOM 0 HG3 PRO A 94 4.306 -8.293 -28.069 1.00 0.00 H new ATOM 0 HD2 PRO A 94 5.578 -5.970 -27.433 1.00 0.00 H new ATOM 0 HD3 PRO A 94 3.998 -5.970 -28.190 1.00 0.00 H new ATOM 1465 N PHE A 95 5.321 -6.771 -23.954 1.00 0.00 N ATOM 1466 CA PHE A 95 6.148 -7.014 -22.778 1.00 0.00 C ATOM 1467 C PHE A 95 5.713 -6.127 -21.614 1.00 0.00 C ATOM 1468 O PHE A 95 5.597 -4.908 -21.740 1.00 0.00 O ATOM 1469 CB PHE A 95 7.622 -6.762 -23.103 1.00 0.00 C ATOM 1470 CG PHE A 95 8.565 -7.308 -22.070 1.00 0.00 C ATOM 1471 CD1 PHE A 95 8.504 -6.872 -20.756 1.00 0.00 C ATOM 1472 CD2 PHE A 95 9.514 -8.258 -22.412 1.00 0.00 C ATOM 1473 CE1 PHE A 95 9.371 -7.372 -19.803 1.00 0.00 C ATOM 1474 CE2 PHE A 95 10.383 -8.763 -21.463 1.00 0.00 C ATOM 1475 CZ PHE A 95 10.312 -8.319 -20.158 1.00 0.00 C ATOM 0 H PHE A 95 5.813 -6.329 -24.731 1.00 0.00 H new ATOM 0 HA PHE A 95 6.021 -8.056 -22.485 1.00 0.00 H new ATOM 0 HB2 PHE A 95 7.855 -7.210 -24.069 1.00 0.00 H new ATOM 0 HB3 PHE A 95 7.786 -5.689 -23.202 1.00 0.00 H new ATOM 0 HD1 PHE A 95 7.770 -6.132 -20.473 1.00 0.00 H new ATOM 0 HD2 PHE A 95 9.575 -8.608 -23.432 1.00 0.00 H new ATOM 0 HE1 PHE A 95 9.313 -7.023 -18.783 1.00 0.00 H new ATOM 0 HE2 PHE A 95 11.117 -9.504 -21.742 1.00 0.00 H new ATOM 0 HZ PHE A 95 10.991 -8.711 -19.416 1.00 0.00 H new ATOM 1485 N PRO A 96 5.466 -6.753 -20.454 1.00 0.00 N ATOM 1486 CA PRO A 96 5.041 -6.041 -19.246 1.00 0.00 C ATOM 1487 C PRO A 96 6.153 -5.181 -18.657 1.00 0.00 C ATOM 1488 O PRO A 96 7.254 -5.665 -18.398 1.00 0.00 O ATOM 1489 CB PRO A 96 4.671 -7.171 -18.280 1.00 0.00 C ATOM 1490 CG PRO A 96 5.473 -8.339 -18.739 1.00 0.00 C ATOM 1491 CD PRO A 96 5.584 -8.204 -20.233 1.00 0.00 C ATOM 0 HA PRO A 96 4.224 -5.349 -19.448 1.00 0.00 H new ATOM 0 HB2 PRO A 96 4.911 -6.906 -17.250 1.00 0.00 H new ATOM 0 HB3 PRO A 96 3.603 -7.386 -18.313 1.00 0.00 H new ATOM 0 HG2 PRO A 96 6.458 -8.343 -18.273 1.00 0.00 H new ATOM 0 HG3 PRO A 96 4.988 -9.276 -18.467 1.00 0.00 H new ATOM 0 HD2 PRO A 96 6.534 -8.591 -20.602 1.00 0.00 H new ATOM 0 HD3 PRO A 96 4.795 -8.754 -20.746 1.00 0.00 H new ATOM 1499 N GLY A 97 5.859 -3.901 -18.449 1.00 0.00 N ATOM 1500 CA GLY A 97 6.845 -2.994 -17.892 1.00 0.00 C ATOM 1501 C GLY A 97 7.720 -2.364 -18.958 1.00 0.00 C ATOM 1502 O GLY A 97 8.546 -1.499 -18.663 1.00 0.00 O ATOM 0 H GLY A 97 4.955 -3.476 -18.656 1.00 0.00 H new ATOM 0 HA2 GLY A 97 6.337 -2.209 -17.332 1.00 0.00 H new ATOM 0 HA3 GLY A 97 7.473 -3.535 -17.184 1.00 0.00 H new ATOM 1506 N CYS A 98 7.541 -2.798 -20.201 1.00 0.00 N ATOM 1507 CA CYS A 98 8.321 -2.273 -21.315 1.00 0.00 C ATOM 1508 C CYS A 98 7.765 -0.932 -21.785 1.00 0.00 C ATOM 1509 O CYS A 98 8.508 -0.066 -22.243 1.00 0.00 O ATOM 1510 CB CYS A 98 8.328 -3.270 -22.475 1.00 0.00 C ATOM 1511 SG CYS A 98 9.460 -2.825 -23.831 1.00 0.00 S ATOM 0 H CYS A 98 6.862 -3.513 -20.462 1.00 0.00 H new ATOM 0 HA CYS A 98 9.344 -2.121 -20.970 1.00 0.00 H new ATOM 0 HB2 CYS A 98 8.604 -4.253 -22.093 1.00 0.00 H new ATOM 0 HB3 CYS A 98 7.317 -3.355 -22.873 1.00 0.00 H new ATOM 1516 N GLY A 99 6.450 -0.770 -21.668 1.00 0.00 N ATOM 1517 CA GLY A 99 5.815 0.467 -22.085 1.00 0.00 C ATOM 1518 C GLY A 99 6.439 1.044 -23.340 1.00 0.00 C ATOM 1519 O GLY A 99 6.406 2.255 -23.559 1.00 0.00 O ATOM 0 H GLY A 99 5.814 -1.473 -21.292 1.00 0.00 H new ATOM 0 HA2 GLY A 99 4.754 0.286 -22.260 1.00 0.00 H new ATOM 0 HA3 GLY A 99 5.885 1.198 -21.279 1.00 0.00 H new ATOM 1523 N LYS A 100 7.012 0.176 -24.167 1.00 0.00 N ATOM 1524 CA LYS A 100 7.648 0.606 -25.407 1.00 0.00 C ATOM 1525 C LYS A 100 6.679 0.497 -26.581 1.00 0.00 C ATOM 1526 O LYS A 100 5.899 -0.452 -26.667 1.00 0.00 O ATOM 1527 CB LYS A 100 8.896 -0.236 -25.683 1.00 0.00 C ATOM 1528 CG LYS A 100 9.603 0.131 -26.976 1.00 0.00 C ATOM 1529 CD LYS A 100 10.045 1.584 -26.977 1.00 0.00 C ATOM 1530 CE LYS A 100 11.343 1.772 -27.748 1.00 0.00 C ATOM 1531 NZ LYS A 100 12.052 3.018 -27.346 1.00 0.00 N ATOM 0 H LYS A 100 7.049 -0.830 -24.001 1.00 0.00 H new ATOM 0 HA LYS A 100 7.939 1.650 -25.294 1.00 0.00 H new ATOM 0 HB2 LYS A 100 9.593 -0.121 -24.853 1.00 0.00 H new ATOM 0 HB3 LYS A 100 8.614 -1.288 -25.719 1.00 0.00 H new ATOM 0 HG2 LYS A 100 10.471 -0.514 -27.113 1.00 0.00 H new ATOM 0 HG3 LYS A 100 8.936 -0.048 -27.820 1.00 0.00 H new ATOM 0 HD2 LYS A 100 9.265 2.202 -27.420 1.00 0.00 H new ATOM 0 HD3 LYS A 100 10.178 1.926 -25.950 1.00 0.00 H new ATOM 0 HE2 LYS A 100 11.993 0.914 -27.579 1.00 0.00 H new ATOM 0 HE3 LYS A 100 11.129 1.804 -28.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 12.931 3.109 -27.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 11.442 3.840 -27.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 12.279 2.976 -26.332 1.00 0.00 H new ATOM 1545 N ILE A 101 6.736 1.472 -27.481 1.00 0.00 N ATOM 1546 CA ILE A 101 5.865 1.483 -28.650 1.00 0.00 C ATOM 1547 C ILE A 101 6.646 1.829 -29.913 1.00 0.00 C ATOM 1548 O ILE A 101 7.663 2.521 -29.858 1.00 0.00 O ATOM 1549 CB ILE A 101 4.711 2.489 -28.482 1.00 0.00 C ATOM 1550 CG1 ILE A 101 4.227 2.506 -27.031 1.00 0.00 C ATOM 1551 CG2 ILE A 101 3.567 2.143 -29.424 1.00 0.00 C ATOM 1552 CD1 ILE A 101 3.203 3.582 -26.748 1.00 0.00 C ATOM 0 H ILE A 101 7.376 2.264 -27.424 1.00 0.00 H new ATOM 0 HA ILE A 101 5.450 0.479 -28.745 1.00 0.00 H new ATOM 0 HB ILE A 101 5.076 3.485 -28.734 1.00 0.00 H new ATOM 0 HG12 ILE A 101 3.797 1.534 -26.789 1.00 0.00 H new ATOM 0 HG13 ILE A 101 5.084 2.649 -26.372 1.00 0.00 H new ATOM 0 HG21 ILE A 101 2.759 2.862 -29.294 1.00 0.00 H new ATOM 0 HG22 ILE A 101 3.921 2.177 -30.454 1.00 0.00 H new ATOM 0 HG23 ILE A 101 3.201 1.141 -29.199 1.00 0.00 H new ATOM 0 HD11 ILE A 101 2.905 3.535 -25.701 1.00 0.00 H new ATOM 0 HD12 ILE A 101 3.635 4.560 -26.958 1.00 0.00 H new ATOM 0 HD13 ILE A 101 2.329 3.428 -27.381 1.00 0.00 H new ATOM 1564 N PHE A 102 6.162 1.344 -31.052 1.00 0.00 N ATOM 1565 CA PHE A 102 6.814 1.603 -32.331 1.00 0.00 C ATOM 1566 C PHE A 102 5.785 1.915 -33.413 1.00 0.00 C ATOM 1567 O PHE A 102 4.898 1.108 -33.693 1.00 0.00 O ATOM 1568 CB PHE A 102 7.660 0.398 -32.749 1.00 0.00 C ATOM 1569 CG PHE A 102 8.445 -0.205 -31.618 1.00 0.00 C ATOM 1570 CD1 PHE A 102 7.810 -0.950 -30.638 1.00 0.00 C ATOM 1571 CD2 PHE A 102 9.816 -0.026 -31.537 1.00 0.00 C ATOM 1572 CE1 PHE A 102 8.530 -1.505 -29.596 1.00 0.00 C ATOM 1573 CE2 PHE A 102 10.541 -0.579 -30.498 1.00 0.00 C ATOM 1574 CZ PHE A 102 9.897 -1.320 -29.527 1.00 0.00 C ATOM 0 H PHE A 102 5.321 0.770 -31.116 1.00 0.00 H new ATOM 0 HA PHE A 102 7.463 2.470 -32.210 1.00 0.00 H new ATOM 0 HB2 PHE A 102 7.007 -0.364 -33.174 1.00 0.00 H new ATOM 0 HB3 PHE A 102 8.349 0.703 -33.537 1.00 0.00 H new ATOM 0 HD1 PHE A 102 6.742 -1.099 -30.688 1.00 0.00 H new ATOM 0 HD2 PHE A 102 10.324 0.552 -32.294 1.00 0.00 H new ATOM 0 HE1 PHE A 102 8.024 -2.083 -28.837 1.00 0.00 H new ATOM 0 HE2 PHE A 102 11.610 -0.432 -30.446 1.00 0.00 H new ATOM 0 HZ PHE A 102 10.461 -1.754 -28.715 1.00 0.00 H new ATOM 1584 N ALA A 103 5.909 3.092 -34.018 1.00 0.00 N ATOM 1585 CA ALA A 103 4.991 3.511 -35.069 1.00 0.00 C ATOM 1586 C ALA A 103 5.054 2.564 -36.263 1.00 0.00 C ATOM 1587 O ALA A 103 4.210 2.620 -37.158 1.00 0.00 O ATOM 1588 CB ALA A 103 5.304 4.935 -35.506 1.00 0.00 C ATOM 0 H ALA A 103 6.637 3.772 -33.798 1.00 0.00 H new ATOM 0 HA ALA A 103 3.978 3.480 -34.667 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.611 5.235 -36.292 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.201 5.608 -34.655 1.00 0.00 H new ATOM 0 HB3 ALA A 103 6.325 4.983 -35.885 1.00 0.00 H new ATOM 1594 N ARG A 104 6.059 1.694 -36.269 1.00 0.00 N ATOM 1595 CA ARG A 104 6.232 0.735 -37.354 1.00 0.00 C ATOM 1596 C ARG A 104 5.935 -0.684 -36.879 1.00 0.00 C ATOM 1597 O ARG A 104 6.435 -1.120 -35.842 1.00 0.00 O ATOM 1598 CB ARG A 104 7.657 0.811 -37.907 1.00 0.00 C ATOM 1599 CG ARG A 104 7.824 1.830 -39.023 1.00 0.00 C ATOM 1600 CD ARG A 104 9.276 2.252 -39.178 1.00 0.00 C ATOM 1601 NE ARG A 104 10.011 1.367 -40.078 1.00 0.00 N ATOM 1602 CZ ARG A 104 9.998 1.488 -41.400 1.00 0.00 C ATOM 1603 NH1 ARG A 104 9.293 2.453 -41.974 1.00 0.00 N ATOM 1604 NH2 ARG A 104 10.693 0.643 -42.152 1.00 0.00 N ATOM 0 H ARG A 104 6.765 1.633 -35.535 1.00 0.00 H new ATOM 0 HA ARG A 104 5.527 0.989 -38.146 1.00 0.00 H new ATOM 0 HB2 ARG A 104 8.340 1.059 -37.095 1.00 0.00 H new ATOM 0 HB3 ARG A 104 7.947 -0.172 -38.278 1.00 0.00 H new ATOM 0 HG2 ARG A 104 7.465 1.406 -39.961 1.00 0.00 H new ATOM 0 HG3 ARG A 104 7.210 2.706 -38.813 1.00 0.00 H new ATOM 0 HD2 ARG A 104 9.318 3.272 -39.559 1.00 0.00 H new ATOM 0 HD3 ARG A 104 9.758 2.257 -38.201 1.00 0.00 H new ATOM 0 HE ARG A 104 10.565 0.615 -39.668 1.00 0.00 H new ATOM 0 HH11 ARG A 104 8.759 3.105 -41.400 1.00 0.00 H new ATOM 0 HH12 ARG A 104 9.285 2.543 -42.990 1.00 0.00 H new ATOM 0 HH21 ARG A 104 11.238 -0.100 -41.714 1.00 0.00 H new ATOM 0 HH22 ARG A 104 10.682 0.737 -43.168 1.00 0.00 H new ATOM 1618 N SER A 105 5.116 -1.399 -37.643 1.00 0.00 N ATOM 1619 CA SER A 105 4.747 -2.767 -37.298 1.00 0.00 C ATOM 1620 C SER A 105 5.972 -3.677 -37.305 1.00 0.00 C ATOM 1621 O SER A 105 6.089 -4.582 -36.479 1.00 0.00 O ATOM 1622 CB SER A 105 3.698 -3.297 -38.277 1.00 0.00 C ATOM 1623 OG SER A 105 2.976 -4.379 -37.714 1.00 0.00 O ATOM 0 H SER A 105 4.695 -1.054 -38.506 1.00 0.00 H new ATOM 0 HA SER A 105 4.325 -2.762 -36.293 1.00 0.00 H new ATOM 0 HB2 SER A 105 3.009 -2.496 -38.545 1.00 0.00 H new ATOM 0 HB3 SER A 105 4.185 -3.620 -39.197 1.00 0.00 H new ATOM 0 HG SER A 105 2.344 -4.039 -37.047 1.00 0.00 H new ATOM 1629 N GLU A 106 6.881 -3.429 -38.243 1.00 0.00 N ATOM 1630 CA GLU A 106 8.096 -4.227 -38.357 1.00 0.00 C ATOM 1631 C GLU A 106 9.051 -3.932 -37.205 1.00 0.00 C ATOM 1632 O GLU A 106 9.843 -4.786 -36.807 1.00 0.00 O ATOM 1633 CB GLU A 106 8.790 -3.950 -39.693 1.00 0.00 C ATOM 1634 CG GLU A 106 10.226 -4.442 -39.745 1.00 0.00 C ATOM 1635 CD GLU A 106 10.909 -4.109 -41.058 1.00 0.00 C ATOM 1636 OE1 GLU A 106 10.324 -4.404 -42.121 1.00 0.00 O ATOM 1637 OE2 GLU A 106 12.028 -3.555 -41.022 1.00 0.00 O ATOM 0 H GLU A 106 6.799 -2.683 -38.934 1.00 0.00 H new ATOM 0 HA GLU A 106 7.815 -5.279 -38.312 1.00 0.00 H new ATOM 0 HB2 GLU A 106 8.223 -4.425 -40.493 1.00 0.00 H new ATOM 0 HB3 GLU A 106 8.775 -2.877 -39.885 1.00 0.00 H new ATOM 0 HG2 GLU A 106 10.789 -3.997 -38.924 1.00 0.00 H new ATOM 0 HG3 GLU A 106 10.242 -5.521 -39.595 1.00 0.00 H new ATOM 1644 N ASN A 107 8.970 -2.717 -36.673 1.00 0.00 N ATOM 1645 CA ASN A 107 9.828 -2.308 -35.566 1.00 0.00 C ATOM 1646 C ASN A 107 9.453 -3.047 -34.286 1.00 0.00 C ATOM 1647 O ASN A 107 10.322 -3.455 -33.514 1.00 0.00 O ATOM 1648 CB ASN A 107 9.725 -0.797 -35.346 1.00 0.00 C ATOM 1649 CG ASN A 107 10.572 -0.011 -36.328 1.00 0.00 C ATOM 1650 OD1 ASN A 107 10.364 -0.082 -37.539 1.00 0.00 O ATOM 1651 ND2 ASN A 107 11.532 0.745 -35.808 1.00 0.00 N ATOM 0 H ASN A 107 8.319 -1.998 -36.990 1.00 0.00 H new ATOM 0 HA ASN A 107 10.857 -2.562 -35.822 1.00 0.00 H new ATOM 0 HB2 ASN A 107 8.684 -0.489 -35.441 1.00 0.00 H new ATOM 0 HB3 ASN A 107 10.037 -0.558 -34.329 1.00 0.00 H new ATOM 0 HD21 ASN A 107 12.133 1.298 -36.419 1.00 0.00 H new ATOM 0 HD22 ASN A 107 11.668 0.773 -34.798 1.00 0.00 H new ATOM 1658 N LEU A 108 8.154 -3.217 -34.066 1.00 0.00 N ATOM 1659 CA LEU A 108 7.662 -3.907 -32.879 1.00 0.00 C ATOM 1660 C LEU A 108 8.085 -5.373 -32.888 1.00 0.00 C ATOM 1661 O LEU A 108 8.670 -5.868 -31.924 1.00 0.00 O ATOM 1662 CB LEU A 108 6.138 -3.805 -32.799 1.00 0.00 C ATOM 1663 CG LEU A 108 5.486 -4.447 -31.574 1.00 0.00 C ATOM 1664 CD1 LEU A 108 6.244 -4.077 -30.309 1.00 0.00 C ATOM 1665 CD2 LEU A 108 4.027 -4.028 -31.466 1.00 0.00 C ATOM 0 H LEU A 108 7.422 -2.886 -34.695 1.00 0.00 H new ATOM 0 HA LEU A 108 8.098 -3.426 -32.003 1.00 0.00 H new ATOM 0 HB2 LEU A 108 5.863 -2.751 -32.822 1.00 0.00 H new ATOM 0 HB3 LEU A 108 5.716 -4.264 -33.693 1.00 0.00 H new ATOM 0 HG LEU A 108 5.525 -5.530 -31.691 1.00 0.00 H new ATOM 0 HD11 LEU A 108 5.765 -4.543 -29.448 1.00 0.00 H new ATOM 0 HD12 LEU A 108 7.273 -4.428 -30.386 1.00 0.00 H new ATOM 0 HD13 LEU A 108 6.238 -2.994 -30.185 1.00 0.00 H new ATOM 0 HD21 LEU A 108 3.579 -4.494 -30.589 1.00 0.00 H new ATOM 0 HD22 LEU A 108 3.966 -2.944 -31.372 1.00 0.00 H new ATOM 0 HD23 LEU A 108 3.490 -4.346 -32.360 1.00 0.00 H new ATOM 1677 N LYS A 109 7.787 -6.063 -33.984 1.00 0.00 N ATOM 1678 CA LYS A 109 8.138 -7.471 -34.121 1.00 0.00 C ATOM 1679 C LYS A 109 9.645 -7.670 -34.002 1.00 0.00 C ATOM 1680 O LYS A 109 10.108 -8.574 -33.306 1.00 0.00 O ATOM 1681 CB LYS A 109 7.646 -8.011 -35.466 1.00 0.00 C ATOM 1682 CG LYS A 109 8.639 -7.819 -36.599 1.00 0.00 C ATOM 1683 CD LYS A 109 8.070 -8.291 -37.926 1.00 0.00 C ATOM 1684 CE LYS A 109 7.358 -9.628 -37.783 1.00 0.00 C ATOM 1685 NZ LYS A 109 6.957 -10.187 -39.104 1.00 0.00 N ATOM 0 H LYS A 109 7.303 -5.669 -34.791 1.00 0.00 H new ATOM 0 HA LYS A 109 7.652 -8.021 -33.315 1.00 0.00 H new ATOM 0 HB2 LYS A 109 7.426 -9.074 -35.363 1.00 0.00 H new ATOM 0 HB3 LYS A 109 6.710 -7.516 -35.726 1.00 0.00 H new ATOM 0 HG2 LYS A 109 8.909 -6.766 -36.672 1.00 0.00 H new ATOM 0 HG3 LYS A 109 9.554 -8.368 -36.379 1.00 0.00 H new ATOM 0 HD2 LYS A 109 7.373 -7.546 -38.310 1.00 0.00 H new ATOM 0 HD3 LYS A 109 8.874 -8.382 -38.656 1.00 0.00 H new ATOM 0 HE2 LYS A 109 8.012 -10.335 -37.273 1.00 0.00 H new ATOM 0 HE3 LYS A 109 6.474 -9.504 -37.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 6.475 -11.098 -38.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 6.313 -9.524 -39.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 7.803 -10.330 -39.692 1.00 0.00 H new ATOM 1699 N ILE A 110 10.405 -6.820 -34.684 1.00 0.00 N ATOM 1700 CA ILE A 110 11.860 -6.902 -34.652 1.00 0.00 C ATOM 1701 C ILE A 110 12.399 -6.563 -33.266 1.00 0.00 C ATOM 1702 O ILE A 110 13.485 -7.004 -32.886 1.00 0.00 O ATOM 1703 CB ILE A 110 12.500 -5.955 -35.685 1.00 0.00 C ATOM 1704 CG1 ILE A 110 12.272 -6.483 -37.103 1.00 0.00 C ATOM 1705 CG2 ILE A 110 13.988 -5.796 -35.407 1.00 0.00 C ATOM 1706 CD1 ILE A 110 12.722 -5.525 -38.184 1.00 0.00 C ATOM 0 H ILE A 110 10.037 -6.067 -35.265 1.00 0.00 H new ATOM 0 HA ILE A 110 12.124 -7.930 -34.901 1.00 0.00 H new ATOM 0 HB ILE A 110 12.027 -4.976 -35.601 1.00 0.00 H new ATOM 0 HG12 ILE A 110 12.804 -7.427 -37.221 1.00 0.00 H new ATOM 0 HG13 ILE A 110 11.211 -6.696 -37.236 1.00 0.00 H new ATOM 0 HG21 ILE A 110 14.426 -5.124 -36.145 1.00 0.00 H new ATOM 0 HG22 ILE A 110 14.129 -5.381 -34.409 1.00 0.00 H new ATOM 0 HG23 ILE A 110 14.475 -6.769 -35.467 1.00 0.00 H new ATOM 0 HD11 ILE A 110 12.530 -5.965 -39.163 1.00 0.00 H new ATOM 0 HD12 ILE A 110 12.171 -4.589 -38.093 1.00 0.00 H new ATOM 0 HD13 ILE A 110 13.789 -5.330 -38.077 1.00 0.00 H new ATOM 1718 N HIS A 111 11.634 -5.779 -32.515 1.00 0.00 N ATOM 1719 CA HIS A 111 12.033 -5.383 -31.169 1.00 0.00 C ATOM 1720 C HIS A 111 11.748 -6.498 -30.167 1.00 0.00 C ATOM 1721 O HIS A 111 12.644 -6.951 -29.455 1.00 0.00 O ATOM 1722 CB HIS A 111 11.301 -4.107 -30.752 1.00 0.00 C ATOM 1723 CG HIS A 111 11.023 -4.030 -29.282 1.00 0.00 C ATOM 1724 ND1 HIS A 111 11.934 -3.545 -28.368 1.00 0.00 N ATOM 1725 CD2 HIS A 111 9.926 -4.377 -28.569 1.00 0.00 C ATOM 1726 CE1 HIS A 111 11.411 -3.600 -27.156 1.00 0.00 C ATOM 1727 NE2 HIS A 111 10.192 -4.100 -27.251 1.00 0.00 N ATOM 0 H HIS A 111 10.734 -5.405 -32.815 1.00 0.00 H new ATOM 0 HA HIS A 111 13.106 -5.191 -31.177 1.00 0.00 H new ATOM 0 HB2 HIS A 111 11.897 -3.243 -31.047 1.00 0.00 H new ATOM 0 HB3 HIS A 111 10.358 -4.044 -31.296 1.00 0.00 H new ATOM 0 HD1 HIS A 111 12.866 -3.198 -28.592 1.00 0.00 H new ATOM 0 HD2 HIS A 111 9.011 -4.794 -28.964 1.00 0.00 H new ATOM 0 HE1 HIS A 111 11.897 -3.289 -26.243 1.00 0.00 H new ATOM 1735 N LYS A 112 10.494 -6.936 -30.118 1.00 0.00 N ATOM 1736 CA LYS A 112 10.090 -7.998 -29.204 1.00 0.00 C ATOM 1737 C LYS A 112 11.097 -9.143 -29.222 1.00 0.00 C ATOM 1738 O LYS A 112 11.376 -9.753 -28.190 1.00 0.00 O ATOM 1739 CB LYS A 112 8.701 -8.520 -29.580 1.00 0.00 C ATOM 1740 CG LYS A 112 7.566 -7.651 -29.068 1.00 0.00 C ATOM 1741 CD LYS A 112 6.336 -7.763 -29.953 1.00 0.00 C ATOM 1742 CE LYS A 112 5.896 -9.210 -30.115 1.00 0.00 C ATOM 1743 NZ LYS A 112 6.686 -9.915 -31.163 1.00 0.00 N ATOM 0 H LYS A 112 9.740 -6.572 -30.701 1.00 0.00 H new ATOM 0 HA LYS A 112 10.056 -7.584 -28.196 1.00 0.00 H new ATOM 0 HB2 LYS A 112 8.631 -8.593 -30.665 1.00 0.00 H new ATOM 0 HB3 LYS A 112 8.582 -9.529 -29.185 1.00 0.00 H new ATOM 0 HG2 LYS A 112 7.311 -7.946 -28.050 1.00 0.00 H new ATOM 0 HG3 LYS A 112 7.892 -6.612 -29.026 1.00 0.00 H new ATOM 0 HD2 LYS A 112 5.522 -7.180 -29.522 1.00 0.00 H new ATOM 0 HD3 LYS A 112 6.551 -7.335 -30.932 1.00 0.00 H new ATOM 0 HE2 LYS A 112 6.006 -9.732 -29.164 1.00 0.00 H new ATOM 0 HE3 LYS A 112 4.838 -9.241 -30.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 6.070 -10.580 -31.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 7.074 -9.220 -31.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 7.466 -10.438 -30.717 1.00 0.00 H new ATOM 1757 N ARG A 113 11.641 -9.429 -30.401 1.00 0.00 N ATOM 1758 CA ARG A 113 12.618 -10.501 -30.552 1.00 0.00 C ATOM 1759 C ARG A 113 13.988 -10.064 -30.043 1.00 0.00 C ATOM 1760 O ARG A 113 14.792 -10.887 -29.606 1.00 0.00 O ATOM 1761 CB ARG A 113 12.718 -10.926 -32.018 1.00 0.00 C ATOM 1762 CG ARG A 113 13.117 -9.796 -32.953 1.00 0.00 C ATOM 1763 CD ARG A 113 13.240 -10.279 -34.390 1.00 0.00 C ATOM 1764 NE ARG A 113 11.939 -10.385 -35.045 1.00 0.00 N ATOM 1765 CZ ARG A 113 11.739 -11.047 -36.179 1.00 0.00 C ATOM 1766 NH1 ARG A 113 12.750 -11.660 -36.780 1.00 0.00 N ATOM 1767 NH2 ARG A 113 10.526 -11.098 -36.714 1.00 0.00 N ATOM 0 H ARG A 113 11.422 -8.933 -31.265 1.00 0.00 H new ATOM 0 HA ARG A 113 12.283 -11.350 -29.957 1.00 0.00 H new ATOM 0 HB2 ARG A 113 13.446 -11.733 -32.105 1.00 0.00 H new ATOM 0 HB3 ARG A 113 11.757 -11.328 -32.337 1.00 0.00 H new ATOM 0 HG2 ARG A 113 12.376 -8.998 -32.898 1.00 0.00 H new ATOM 0 HG3 ARG A 113 14.067 -9.372 -32.628 1.00 0.00 H new ATOM 0 HD2 ARG A 113 13.873 -9.591 -34.951 1.00 0.00 H new ATOM 0 HD3 ARG A 113 13.734 -11.251 -34.405 1.00 0.00 H new ATOM 0 HE ARG A 113 11.140 -9.926 -34.608 1.00 0.00 H new ATOM 0 HH11 ARG A 113 13.684 -11.624 -36.371 1.00 0.00 H new ATOM 0 HH12 ARG A 113 12.594 -12.168 -37.651 1.00 0.00 H new ATOM 0 HH21 ARG A 113 9.746 -10.628 -36.254 1.00 0.00 H new ATOM 0 HH22 ARG A 113 10.374 -11.607 -37.585 1.00 0.00 H new ATOM 1781 N THR A 114 14.248 -8.761 -30.103 1.00 0.00 N ATOM 1782 CA THR A 114 15.521 -8.214 -29.650 1.00 0.00 C ATOM 1783 C THR A 114 15.388 -7.583 -28.269 1.00 0.00 C ATOM 1784 O THR A 114 16.353 -7.044 -27.726 1.00 0.00 O ATOM 1785 CB THR A 114 16.061 -7.160 -30.634 1.00 0.00 C ATOM 1786 OG1 THR A 114 17.483 -7.052 -30.505 1.00 0.00 O ATOM 1787 CG2 THR A 114 15.419 -5.804 -30.381 1.00 0.00 C ATOM 0 H THR A 114 13.594 -8.065 -30.461 1.00 0.00 H new ATOM 0 HA THR A 114 16.223 -9.046 -29.600 1.00 0.00 H new ATOM 0 HB THR A 114 15.812 -7.479 -31.646 1.00 0.00 H new ATOM 0 HG1 THR A 114 17.724 -7.018 -29.556 1.00 0.00 H new ATOM 0 HG21 THR A 114 15.816 -5.076 -31.088 1.00 0.00 H new ATOM 0 HG22 THR A 114 14.339 -5.883 -30.509 1.00 0.00 H new ATOM 0 HG23 THR A 114 15.641 -5.480 -29.364 1.00 0.00 H new ATOM 1795 N HIS A 115 14.186 -7.653 -27.705 1.00 0.00 N ATOM 1796 CA HIS A 115 13.928 -7.088 -26.385 1.00 0.00 C ATOM 1797 C HIS A 115 13.341 -8.141 -25.449 1.00 0.00 C ATOM 1798 O HIS A 115 13.854 -8.368 -24.353 1.00 0.00 O ATOM 1799 CB HIS A 115 12.974 -5.898 -26.494 1.00 0.00 C ATOM 1800 CG HIS A 115 11.877 -5.914 -25.474 1.00 0.00 C ATOM 1801 ND1 HIS A 115 12.066 -5.544 -24.159 1.00 0.00 N ATOM 1802 CD2 HIS A 115 10.572 -6.257 -25.583 1.00 0.00 C ATOM 1803 CE1 HIS A 115 10.926 -5.660 -23.503 1.00 0.00 C ATOM 1804 NE2 HIS A 115 10.003 -6.091 -24.344 1.00 0.00 N ATOM 0 H HIS A 115 13.376 -8.095 -28.141 1.00 0.00 H new ATOM 0 HA HIS A 115 14.877 -6.747 -25.971 1.00 0.00 H new ATOM 0 HB2 HIS A 115 13.544 -4.975 -26.388 1.00 0.00 H new ATOM 0 HB3 HIS A 115 12.532 -5.887 -27.490 1.00 0.00 H new ATOM 0 HD1 HIS A 115 12.949 -5.230 -23.756 1.00 0.00 H new ATOM 0 HD2 HIS A 115 10.072 -6.598 -26.477 1.00 0.00 H new ATOM 0 HE1 HIS A 115 10.774 -5.440 -22.457 1.00 0.00 H new ATOM 1812 N THR A 116 12.262 -8.782 -25.889 1.00 0.00 N ATOM 1813 CA THR A 116 11.605 -9.809 -25.091 1.00 0.00 C ATOM 1814 C THR A 116 12.547 -10.974 -24.811 1.00 0.00 C ATOM 1815 O THR A 116 12.329 -11.751 -23.882 1.00 0.00 O ATOM 1816 CB THR A 116 10.341 -10.342 -25.792 1.00 0.00 C ATOM 1817 OG1 THR A 116 9.312 -10.587 -24.826 1.00 0.00 O ATOM 1818 CG2 THR A 116 10.644 -11.623 -26.554 1.00 0.00 C ATOM 0 H THR A 116 11.825 -8.607 -26.794 1.00 0.00 H new ATOM 0 HA THR A 116 11.319 -9.342 -24.148 1.00 0.00 H new ATOM 0 HB THR A 116 10.001 -9.588 -26.502 1.00 0.00 H new ATOM 0 HG1 THR A 116 8.511 -10.924 -25.279 1.00 0.00 H new ATOM 0 HG21 THR A 116 9.736 -11.980 -27.041 1.00 0.00 H new ATOM 0 HG22 THR A 116 11.406 -11.426 -27.308 1.00 0.00 H new ATOM 0 HG23 THR A 116 11.007 -12.382 -25.861 1.00 0.00 H new ATOM 1826 N GLY A 117 13.595 -11.090 -25.620 1.00 0.00 N ATOM 1827 CA GLY A 117 14.555 -12.164 -25.442 1.00 0.00 C ATOM 1828 C GLY A 117 15.444 -11.952 -24.233 1.00 0.00 C ATOM 1829 O GLY A 117 15.961 -12.910 -23.660 1.00 0.00 O ATOM 0 H GLY A 117 13.797 -10.459 -26.396 1.00 0.00 H new ATOM 0 HA2 GLY A 117 14.023 -13.109 -25.336 1.00 0.00 H new ATOM 0 HA3 GLY A 117 15.175 -12.245 -26.335 1.00 0.00 H new ATOM 1833 N GLU A 118 15.623 -10.693 -23.845 1.00 0.00 N ATOM 1834 CA GLU A 118 16.459 -10.360 -22.697 1.00 0.00 C ATOM 1835 C GLU A 118 15.604 -9.925 -21.510 1.00 0.00 C ATOM 1836 O GLU A 118 14.457 -9.508 -21.675 1.00 0.00 O ATOM 1837 CB GLU A 118 17.446 -9.249 -23.062 1.00 0.00 C ATOM 1838 CG GLU A 118 16.835 -8.145 -23.909 1.00 0.00 C ATOM 1839 CD GLU A 118 17.773 -6.970 -24.101 1.00 0.00 C ATOM 1840 OE1 GLU A 118 18.935 -7.196 -24.500 1.00 0.00 O ATOM 1841 OE2 GLU A 118 17.345 -5.823 -23.851 1.00 0.00 O ATOM 0 H GLU A 118 15.201 -9.888 -24.308 1.00 0.00 H new ATOM 0 HA GLU A 118 17.016 -11.253 -22.414 1.00 0.00 H new ATOM 0 HB2 GLU A 118 17.845 -8.814 -22.146 1.00 0.00 H new ATOM 0 HB3 GLU A 118 18.288 -9.685 -23.601 1.00 0.00 H new ATOM 0 HG2 GLU A 118 16.561 -8.549 -24.883 1.00 0.00 H new ATOM 0 HG3 GLU A 118 15.915 -7.798 -23.438 1.00 0.00 H new ATOM 1848 N LYS A 119 16.170 -10.025 -20.312 1.00 0.00 N ATOM 1849 CA LYS A 119 15.463 -9.643 -19.096 1.00 0.00 C ATOM 1850 C LYS A 119 15.721 -8.179 -18.754 1.00 0.00 C ATOM 1851 O LYS A 119 16.736 -7.597 -19.137 1.00 0.00 O ATOM 1852 CB LYS A 119 15.893 -10.534 -17.929 1.00 0.00 C ATOM 1853 CG LYS A 119 15.295 -11.930 -17.977 1.00 0.00 C ATOM 1854 CD LYS A 119 13.805 -11.908 -17.679 1.00 0.00 C ATOM 1855 CE LYS A 119 13.531 -12.058 -16.191 1.00 0.00 C ATOM 1856 NZ LYS A 119 13.436 -13.488 -15.786 1.00 0.00 N ATOM 0 H LYS A 119 17.118 -10.368 -20.157 1.00 0.00 H new ATOM 0 HA LYS A 119 14.395 -9.775 -19.270 1.00 0.00 H new ATOM 0 HB2 LYS A 119 16.980 -10.613 -17.925 1.00 0.00 H new ATOM 0 HB3 LYS A 119 15.605 -10.056 -16.993 1.00 0.00 H new ATOM 0 HG2 LYS A 119 15.464 -12.366 -18.962 1.00 0.00 H new ATOM 0 HG3 LYS A 119 15.802 -12.569 -17.254 1.00 0.00 H new ATOM 0 HD2 LYS A 119 13.375 -10.972 -18.036 1.00 0.00 H new ATOM 0 HD3 LYS A 119 13.312 -12.713 -18.224 1.00 0.00 H new ATOM 0 HE2 LYS A 119 14.326 -11.572 -15.625 1.00 0.00 H new ATOM 0 HE3 LYS A 119 12.602 -11.547 -15.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 13.249 -13.548 -14.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 12.661 -13.946 -16.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 14.332 -13.970 -16.002 1.00 0.00 H new ATOM 1870 N PRO A 120 14.783 -7.569 -18.014 1.00 0.00 N ATOM 1871 CA PRO A 120 14.889 -6.166 -17.603 1.00 0.00 C ATOM 1872 C PRO A 120 15.987 -5.947 -16.568 1.00 0.00 C ATOM 1873 O PRO A 120 16.429 -4.819 -16.347 1.00 0.00 O ATOM 1874 CB PRO A 120 13.515 -5.870 -16.995 1.00 0.00 C ATOM 1875 CG PRO A 120 13.007 -7.196 -16.544 1.00 0.00 C ATOM 1876 CD PRO A 120 13.548 -8.201 -17.523 1.00 0.00 C ATOM 0 HA PRO A 120 15.151 -5.515 -18.437 1.00 0.00 H new ATOM 0 HB2 PRO A 120 13.593 -5.172 -16.162 1.00 0.00 H new ATOM 0 HB3 PRO A 120 12.847 -5.418 -17.728 1.00 0.00 H new ATOM 0 HG2 PRO A 120 13.342 -7.418 -15.531 1.00 0.00 H new ATOM 0 HG3 PRO A 120 11.917 -7.212 -16.530 1.00 0.00 H new ATOM 0 HD2 PRO A 120 13.750 -9.159 -17.045 1.00 0.00 H new ATOM 0 HD3 PRO A 120 12.844 -8.391 -18.333 1.00 0.00 H new ATOM 1884 N PHE A 121 16.424 -7.031 -15.936 1.00 0.00 N ATOM 1885 CA PHE A 121 17.471 -6.957 -14.924 1.00 0.00 C ATOM 1886 C PHE A 121 18.561 -7.991 -15.192 1.00 0.00 C ATOM 1887 O PHE A 121 18.413 -9.167 -14.858 1.00 0.00 O ATOM 1888 CB PHE A 121 16.878 -7.174 -13.530 1.00 0.00 C ATOM 1889 CG PHE A 121 16.040 -6.024 -13.050 1.00 0.00 C ATOM 1890 CD1 PHE A 121 16.635 -4.863 -12.581 1.00 0.00 C ATOM 1891 CD2 PHE A 121 14.657 -6.103 -13.067 1.00 0.00 C ATOM 1892 CE1 PHE A 121 15.866 -3.803 -12.139 1.00 0.00 C ATOM 1893 CE2 PHE A 121 13.883 -5.046 -12.626 1.00 0.00 C ATOM 1894 CZ PHE A 121 14.488 -3.895 -12.161 1.00 0.00 C ATOM 0 H PHE A 121 16.069 -7.972 -16.107 1.00 0.00 H new ATOM 0 HA PHE A 121 17.918 -5.964 -14.971 1.00 0.00 H new ATOM 0 HB2 PHE A 121 16.269 -8.078 -13.540 1.00 0.00 H new ATOM 0 HB3 PHE A 121 17.689 -7.343 -12.821 1.00 0.00 H new ATOM 0 HD1 PHE A 121 17.712 -4.786 -12.561 1.00 0.00 H new ATOM 0 HD2 PHE A 121 14.178 -7.001 -13.429 1.00 0.00 H new ATOM 0 HE1 PHE A 121 16.342 -2.904 -11.777 1.00 0.00 H new ATOM 0 HE2 PHE A 121 12.806 -5.120 -12.645 1.00 0.00 H new ATOM 0 HZ PHE A 121 13.885 -3.068 -11.815 1.00 0.00 H new ATOM 1904 N LYS A 122 19.656 -7.544 -15.798 1.00 0.00 N ATOM 1905 CA LYS A 122 20.772 -8.428 -16.111 1.00 0.00 C ATOM 1906 C LYS A 122 22.002 -8.064 -15.285 1.00 0.00 C ATOM 1907 O LYS A 122 22.341 -6.889 -15.141 1.00 0.00 O ATOM 1908 CB LYS A 122 21.106 -8.353 -17.603 1.00 0.00 C ATOM 1909 CG LYS A 122 21.847 -9.572 -18.122 1.00 0.00 C ATOM 1910 CD LYS A 122 22.364 -9.351 -19.534 1.00 0.00 C ATOM 1911 CE LYS A 122 23.617 -8.488 -19.540 1.00 0.00 C ATOM 1912 NZ LYS A 122 23.994 -8.068 -20.918 1.00 0.00 N ATOM 0 H LYS A 122 19.794 -6.574 -16.082 1.00 0.00 H new ATOM 0 HA LYS A 122 20.477 -9.447 -15.862 1.00 0.00 H new ATOM 0 HB2 LYS A 122 20.182 -8.232 -18.168 1.00 0.00 H new ATOM 0 HB3 LYS A 122 21.711 -7.465 -17.787 1.00 0.00 H new ATOM 0 HG2 LYS A 122 22.682 -9.801 -17.460 1.00 0.00 H new ATOM 0 HG3 LYS A 122 21.183 -10.436 -18.108 1.00 0.00 H new ATOM 0 HD2 LYS A 122 22.581 -10.313 -19.998 1.00 0.00 H new ATOM 0 HD3 LYS A 122 21.590 -8.875 -20.136 1.00 0.00 H new ATOM 0 HE2 LYS A 122 23.453 -7.604 -18.923 1.00 0.00 H new ATOM 0 HE3 LYS A 122 24.441 -9.042 -19.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 24.852 -7.482 -20.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 24.176 -8.910 -21.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 23.218 -7.518 -21.338 1.00 0.00 H new ATOM 1926 N CYS A 123 22.669 -9.080 -14.746 1.00 0.00 N ATOM 1927 CA CYS A 123 23.862 -8.868 -13.936 1.00 0.00 C ATOM 1928 C CYS A 123 24.678 -7.692 -14.466 1.00 0.00 C ATOM 1929 O CYS A 123 25.257 -7.764 -15.549 1.00 0.00 O ATOM 1930 CB CYS A 123 24.723 -10.132 -13.918 1.00 0.00 C ATOM 1931 SG CYS A 123 26.277 -9.961 -12.983 1.00 0.00 S ATOM 0 H CYS A 123 22.403 -10.058 -14.856 1.00 0.00 H new ATOM 0 HA CYS A 123 23.544 -8.638 -12.919 1.00 0.00 H new ATOM 0 HB2 CYS A 123 24.142 -10.948 -13.489 1.00 0.00 H new ATOM 0 HB3 CYS A 123 24.958 -10.413 -14.945 1.00 0.00 H new ATOM 1936 N GLU A 124 24.717 -6.610 -13.694 1.00 0.00 N ATOM 1937 CA GLU A 124 25.461 -5.419 -14.086 1.00 0.00 C ATOM 1938 C GLU A 124 26.961 -5.701 -14.118 1.00 0.00 C ATOM 1939 O GLU A 124 27.750 -4.873 -14.575 1.00 0.00 O ATOM 1940 CB GLU A 124 25.168 -4.267 -13.123 1.00 0.00 C ATOM 1941 CG GLU A 124 23.728 -4.229 -12.641 1.00 0.00 C ATOM 1942 CD GLU A 124 23.318 -2.860 -12.135 1.00 0.00 C ATOM 1943 OE1 GLU A 124 22.883 -2.028 -12.959 1.00 0.00 O ATOM 1944 OE2 GLU A 124 23.432 -2.620 -10.915 1.00 0.00 O ATOM 0 H GLU A 124 24.242 -6.534 -12.794 1.00 0.00 H new ATOM 0 HA GLU A 124 25.140 -5.135 -15.088 1.00 0.00 H new ATOM 0 HB2 GLU A 124 25.829 -4.349 -12.260 1.00 0.00 H new ATOM 0 HB3 GLU A 124 25.402 -3.324 -13.616 1.00 0.00 H new ATOM 0 HG2 GLU A 124 23.068 -4.523 -13.457 1.00 0.00 H new ATOM 0 HG3 GLU A 124 23.596 -4.961 -11.844 1.00 0.00 H new ATOM 1951 N PHE A 125 27.347 -6.874 -13.629 1.00 0.00 N ATOM 1952 CA PHE A 125 28.752 -7.265 -13.600 1.00 0.00 C ATOM 1953 C PHE A 125 29.257 -7.586 -15.003 1.00 0.00 C ATOM 1954 O PHE A 125 28.628 -8.342 -15.742 1.00 0.00 O ATOM 1955 CB PHE A 125 28.947 -8.477 -12.686 1.00 0.00 C ATOM 1956 CG PHE A 125 30.304 -8.533 -12.045 1.00 0.00 C ATOM 1957 CD1 PHE A 125 30.571 -7.810 -10.894 1.00 0.00 C ATOM 1958 CD2 PHE A 125 31.313 -9.308 -12.594 1.00 0.00 C ATOM 1959 CE1 PHE A 125 31.819 -7.859 -10.303 1.00 0.00 C ATOM 1960 CE2 PHE A 125 32.563 -9.361 -12.007 1.00 0.00 C ATOM 1961 CZ PHE A 125 32.816 -8.636 -10.859 1.00 0.00 C ATOM 0 H PHE A 125 26.707 -7.571 -13.247 1.00 0.00 H new ATOM 0 HA PHE A 125 29.328 -6.427 -13.209 1.00 0.00 H new ATOM 0 HB2 PHE A 125 28.186 -8.460 -11.906 1.00 0.00 H new ATOM 0 HB3 PHE A 125 28.790 -9.387 -13.265 1.00 0.00 H new ATOM 0 HD1 PHE A 125 29.795 -7.201 -10.454 1.00 0.00 H new ATOM 0 HD2 PHE A 125 31.120 -9.877 -13.491 1.00 0.00 H new ATOM 0 HE1 PHE A 125 32.015 -7.290 -9.406 1.00 0.00 H new ATOM 0 HE2 PHE A 125 33.341 -9.968 -12.445 1.00 0.00 H new ATOM 0 HZ PHE A 125 33.791 -8.677 -10.397 1.00 0.00 H new ATOM 1971 N GLU A 126 30.397 -7.003 -15.363 1.00 0.00 N ATOM 1972 CA GLU A 126 30.985 -7.226 -16.678 1.00 0.00 C ATOM 1973 C GLU A 126 31.558 -8.636 -16.787 1.00 0.00 C ATOM 1974 O GLU A 126 32.120 -9.165 -15.829 1.00 0.00 O ATOM 1975 CB GLU A 126 32.083 -6.195 -16.951 1.00 0.00 C ATOM 1976 CG GLU A 126 33.050 -6.612 -18.046 1.00 0.00 C ATOM 1977 CD GLU A 126 32.407 -6.626 -19.419 1.00 0.00 C ATOM 1978 OE1 GLU A 126 31.347 -5.986 -19.585 1.00 0.00 O ATOM 1979 OE2 GLU A 126 32.964 -7.277 -20.328 1.00 0.00 O ATOM 0 H GLU A 126 30.930 -6.374 -14.763 1.00 0.00 H new ATOM 0 HA GLU A 126 30.197 -7.115 -17.423 1.00 0.00 H new ATOM 0 HB2 GLU A 126 31.620 -5.248 -17.228 1.00 0.00 H new ATOM 0 HB3 GLU A 126 32.642 -6.020 -16.032 1.00 0.00 H new ATOM 0 HG2 GLU A 126 33.900 -5.930 -18.054 1.00 0.00 H new ATOM 0 HG3 GLU A 126 33.440 -7.605 -17.822 1.00 0.00 H new ATOM 1986 N GLY A 127 31.411 -9.240 -17.962 1.00 0.00 N ATOM 1987 CA GLY A 127 31.918 -10.583 -18.175 1.00 0.00 C ATOM 1988 C GLY A 127 31.038 -11.642 -17.540 1.00 0.00 C ATOM 1989 O GLY A 127 31.374 -12.826 -17.550 1.00 0.00 O ATOM 0 H GLY A 127 30.950 -8.823 -18.771 1.00 0.00 H new ATOM 0 HA2 GLY A 127 31.996 -10.773 -19.245 1.00 0.00 H new ATOM 0 HA3 GLY A 127 32.925 -10.657 -17.764 1.00 0.00 H new ATOM 1993 N CYS A 128 29.910 -11.215 -16.983 1.00 0.00 N ATOM 1994 CA CYS A 128 28.980 -12.134 -16.338 1.00 0.00 C ATOM 1995 C CYS A 128 27.705 -12.287 -17.163 1.00 0.00 C ATOM 1996 O CYS A 128 27.234 -11.331 -17.779 1.00 0.00 O ATOM 1997 CB CYS A 128 28.634 -11.639 -14.932 1.00 0.00 C ATOM 1998 SG CYS A 128 28.105 -12.956 -13.789 1.00 0.00 S ATOM 0 H CYS A 128 29.618 -10.238 -16.965 1.00 0.00 H new ATOM 0 HA CYS A 128 29.463 -13.108 -16.265 1.00 0.00 H new ATOM 0 HB2 CYS A 128 29.504 -11.135 -14.511 1.00 0.00 H new ATOM 0 HB3 CYS A 128 27.840 -10.896 -15.005 1.00 0.00 H new ATOM 2003 N ASP A 129 27.153 -13.495 -17.169 1.00 0.00 N ATOM 2004 CA ASP A 129 25.932 -13.774 -17.917 1.00 0.00 C ATOM 2005 C ASP A 129 24.848 -14.329 -16.999 1.00 0.00 C ATOM 2006 O ASP A 129 24.928 -15.471 -16.547 1.00 0.00 O ATOM 2007 CB ASP A 129 26.217 -14.764 -19.048 1.00 0.00 C ATOM 2008 CG ASP A 129 27.459 -14.400 -19.837 1.00 0.00 C ATOM 2009 OD1 ASP A 129 28.016 -13.308 -19.597 1.00 0.00 O ATOM 2010 OD2 ASP A 129 27.875 -15.207 -20.695 1.00 0.00 O ATOM 0 H ASP A 129 27.531 -14.297 -16.665 1.00 0.00 H new ATOM 0 HA ASP A 129 25.575 -12.838 -18.346 1.00 0.00 H new ATOM 0 HB2 ASP A 129 26.336 -15.764 -18.630 1.00 0.00 H new ATOM 0 HB3 ASP A 129 25.360 -14.799 -19.721 1.00 0.00 H new ATOM 2015 N ARG A 130 23.834 -13.513 -16.728 1.00 0.00 N ATOM 2016 CA ARG A 130 22.735 -13.922 -15.862 1.00 0.00 C ATOM 2017 C ARG A 130 21.428 -13.266 -16.298 1.00 0.00 C ATOM 2018 O ARG A 130 21.393 -12.513 -17.271 1.00 0.00 O ATOM 2019 CB ARG A 130 23.040 -13.559 -14.408 1.00 0.00 C ATOM 2020 CG ARG A 130 24.364 -14.113 -13.907 1.00 0.00 C ATOM 2021 CD ARG A 130 24.274 -15.606 -13.632 1.00 0.00 C ATOM 2022 NE ARG A 130 23.827 -15.886 -12.270 1.00 0.00 N ATOM 2023 CZ ARG A 130 23.642 -17.113 -11.795 1.00 0.00 C ATOM 2024 NH1 ARG A 130 23.864 -18.167 -12.568 1.00 0.00 N ATOM 2025 NH2 ARG A 130 23.234 -17.287 -10.545 1.00 0.00 N ATOM 0 H ARG A 130 23.751 -12.565 -17.096 1.00 0.00 H new ATOM 0 HA ARG A 130 22.625 -15.003 -15.943 1.00 0.00 H new ATOM 0 HB2 ARG A 130 23.049 -12.474 -14.307 1.00 0.00 H new ATOM 0 HB3 ARG A 130 22.236 -13.932 -13.773 1.00 0.00 H new ATOM 0 HG2 ARG A 130 25.142 -13.924 -14.647 1.00 0.00 H new ATOM 0 HG3 ARG A 130 24.657 -13.591 -12.996 1.00 0.00 H new ATOM 0 HD2 ARG A 130 23.585 -16.064 -14.341 1.00 0.00 H new ATOM 0 HD3 ARG A 130 25.250 -16.064 -13.795 1.00 0.00 H new ATOM 0 HE ARG A 130 23.647 -15.097 -11.650 1.00 0.00 H new ATOM 0 HH11 ARG A 130 24.178 -18.037 -13.530 1.00 0.00 H new ATOM 0 HH12 ARG A 130 23.721 -19.108 -12.201 1.00 0.00 H new ATOM 0 HH21 ARG A 130 23.062 -16.478 -9.947 1.00 0.00 H new ATOM 0 HH22 ARG A 130 23.092 -18.229 -10.181 1.00 0.00 H new ATOM 2039 N ARG A 131 20.354 -13.557 -15.570 1.00 0.00 N ATOM 2040 CA ARG A 131 19.045 -12.998 -15.882 1.00 0.00 C ATOM 2041 C ARG A 131 18.229 -12.783 -14.611 1.00 0.00 C ATOM 2042 O ARG A 131 18.161 -13.658 -13.748 1.00 0.00 O ATOM 2043 CB ARG A 131 18.287 -13.921 -16.838 1.00 0.00 C ATOM 2044 CG ARG A 131 19.193 -14.720 -17.760 1.00 0.00 C ATOM 2045 CD ARG A 131 18.389 -15.588 -18.716 1.00 0.00 C ATOM 2046 NE ARG A 131 19.219 -16.598 -19.367 1.00 0.00 N ATOM 2047 CZ ARG A 131 19.719 -17.655 -18.737 1.00 0.00 C ATOM 2048 NH1 ARG A 131 19.476 -17.839 -17.446 1.00 0.00 N ATOM 2049 NH2 ARG A 131 20.465 -18.531 -19.398 1.00 0.00 N ATOM 0 H ARG A 131 20.366 -14.177 -14.760 1.00 0.00 H new ATOM 0 HA ARG A 131 19.196 -12.032 -16.364 1.00 0.00 H new ATOM 0 HB2 ARG A 131 17.676 -14.611 -16.256 1.00 0.00 H new ATOM 0 HB3 ARG A 131 17.605 -13.323 -17.442 1.00 0.00 H new ATOM 0 HG2 ARG A 131 19.826 -14.039 -18.330 1.00 0.00 H new ATOM 0 HG3 ARG A 131 19.856 -15.349 -17.165 1.00 0.00 H new ATOM 0 HD2 ARG A 131 17.583 -16.078 -18.170 1.00 0.00 H new ATOM 0 HD3 ARG A 131 17.924 -14.958 -19.474 1.00 0.00 H new ATOM 0 HE ARG A 131 19.426 -16.486 -20.359 1.00 0.00 H new ATOM 0 HH11 ARG A 131 18.904 -17.168 -16.934 1.00 0.00 H new ATOM 0 HH12 ARG A 131 19.862 -18.652 -16.965 1.00 0.00 H new ATOM 0 HH21 ARG A 131 20.655 -18.393 -20.391 1.00 0.00 H new ATOM 0 HH22 ARG A 131 20.849 -19.342 -18.913 1.00 0.00 H new ATOM 2063 N PHE A 132 17.610 -11.611 -14.502 1.00 0.00 N ATOM 2064 CA PHE A 132 16.800 -11.280 -13.336 1.00 0.00 C ATOM 2065 C PHE A 132 15.574 -10.466 -13.739 1.00 0.00 C ATOM 2066 O PHE A 132 15.539 -9.868 -14.813 1.00 0.00 O ATOM 2067 CB PHE A 132 17.631 -10.499 -12.316 1.00 0.00 C ATOM 2068 CG PHE A 132 18.961 -11.132 -12.016 1.00 0.00 C ATOM 2069 CD1 PHE A 132 19.036 -12.297 -11.270 1.00 0.00 C ATOM 2070 CD2 PHE A 132 20.135 -10.560 -12.480 1.00 0.00 C ATOM 2071 CE1 PHE A 132 20.257 -12.881 -10.992 1.00 0.00 C ATOM 2072 CE2 PHE A 132 21.359 -11.140 -12.206 1.00 0.00 C ATOM 2073 CZ PHE A 132 21.420 -12.302 -11.460 1.00 0.00 C ATOM 0 H PHE A 132 17.654 -10.875 -15.207 1.00 0.00 H new ATOM 0 HA PHE A 132 16.463 -12.212 -12.883 1.00 0.00 H new ATOM 0 HB2 PHE A 132 17.795 -9.488 -12.690 1.00 0.00 H new ATOM 0 HB3 PHE A 132 17.063 -10.408 -11.390 1.00 0.00 H new ATOM 0 HD1 PHE A 132 18.130 -12.754 -10.901 1.00 0.00 H new ATOM 0 HD2 PHE A 132 20.093 -9.651 -13.062 1.00 0.00 H new ATOM 0 HE1 PHE A 132 20.302 -13.789 -10.409 1.00 0.00 H new ATOM 0 HE2 PHE A 132 22.267 -10.686 -12.574 1.00 0.00 H new ATOM 0 HZ PHE A 132 22.376 -12.756 -11.244 1.00 0.00 H new ATOM 2083 N ALA A 133 14.570 -10.450 -12.868 1.00 0.00 N ATOM 2084 CA ALA A 133 13.342 -9.710 -13.132 1.00 0.00 C ATOM 2085 C ALA A 133 13.111 -8.637 -12.073 1.00 0.00 C ATOM 2086 O ALA A 133 12.222 -7.798 -12.211 1.00 0.00 O ATOM 2087 CB ALA A 133 12.155 -10.659 -13.192 1.00 0.00 C ATOM 0 H ALA A 133 14.583 -10.941 -11.974 1.00 0.00 H new ATOM 0 HA ALA A 133 13.445 -9.215 -14.098 1.00 0.00 H new ATOM 0 HB1 ALA A 133 11.245 -10.092 -13.390 1.00 0.00 H new ATOM 0 HB2 ALA A 133 12.310 -11.386 -13.989 1.00 0.00 H new ATOM 0 HB3 ALA A 133 12.058 -11.180 -12.240 1.00 0.00 H new ATOM 2093 N ASN A 134 13.916 -8.670 -11.017 1.00 0.00 N ATOM 2094 CA ASN A 134 13.798 -7.701 -9.934 1.00 0.00 C ATOM 2095 C ASN A 134 15.173 -7.228 -9.474 1.00 0.00 C ATOM 2096 O ASN A 134 16.075 -8.035 -9.249 1.00 0.00 O ATOM 2097 CB ASN A 134 13.036 -8.312 -8.756 1.00 0.00 C ATOM 2098 CG ASN A 134 13.328 -9.789 -8.582 1.00 0.00 C ATOM 2099 OD1 ASN A 134 13.912 -10.204 -7.580 1.00 0.00 O ATOM 2100 ND2 ASN A 134 12.923 -10.592 -9.559 1.00 0.00 N ATOM 0 H ASN A 134 14.658 -9.358 -10.888 1.00 0.00 H new ATOM 0 HA ASN A 134 13.245 -6.840 -10.309 1.00 0.00 H new ATOM 0 HB2 ASN A 134 13.301 -7.782 -7.841 1.00 0.00 H new ATOM 0 HB3 ASN A 134 11.966 -8.171 -8.907 1.00 0.00 H new ATOM 0 HD21 ASN A 134 13.092 -11.596 -9.497 1.00 0.00 H new ATOM 0 HD22 ASN A 134 12.443 -10.205 -10.371 1.00 0.00 H new ATOM 2107 N SER A 135 15.326 -5.915 -9.335 1.00 0.00 N ATOM 2108 CA SER A 135 16.592 -5.334 -8.905 1.00 0.00 C ATOM 2109 C SER A 135 17.122 -6.045 -7.663 1.00 0.00 C ATOM 2110 O SER A 135 18.332 -6.160 -7.469 1.00 0.00 O ATOM 2111 CB SER A 135 16.422 -3.841 -8.618 1.00 0.00 C ATOM 2112 OG SER A 135 17.359 -3.396 -7.654 1.00 0.00 O ATOM 0 H SER A 135 14.589 -5.233 -9.514 1.00 0.00 H new ATOM 0 HA SER A 135 17.314 -5.461 -9.712 1.00 0.00 H new ATOM 0 HB2 SER A 135 16.548 -3.274 -9.540 1.00 0.00 H new ATOM 0 HB3 SER A 135 15.410 -3.649 -8.261 1.00 0.00 H new ATOM 0 HG SER A 135 17.230 -2.438 -7.490 1.00 0.00 H new ATOM 2118 N SER A 136 16.206 -6.519 -6.825 1.00 0.00 N ATOM 2119 CA SER A 136 16.579 -7.215 -5.599 1.00 0.00 C ATOM 2120 C SER A 136 17.396 -8.466 -5.911 1.00 0.00 C ATOM 2121 O SER A 136 18.502 -8.642 -5.400 1.00 0.00 O ATOM 2122 CB SER A 136 15.330 -7.594 -4.802 1.00 0.00 C ATOM 2123 OG SER A 136 15.648 -7.848 -3.444 1.00 0.00 O ATOM 0 H SER A 136 15.200 -6.434 -6.972 1.00 0.00 H new ATOM 0 HA SER A 136 17.192 -6.541 -5.001 1.00 0.00 H new ATOM 0 HB2 SER A 136 14.598 -6.789 -4.863 1.00 0.00 H new ATOM 0 HB3 SER A 136 14.869 -8.478 -5.242 1.00 0.00 H new ATOM 0 HG SER A 136 14.832 -8.086 -2.956 1.00 0.00 H new ATOM 2129 N ASP A 137 16.842 -9.331 -6.754 1.00 0.00 N ATOM 2130 CA ASP A 137 17.518 -10.565 -7.136 1.00 0.00 C ATOM 2131 C ASP A 137 18.877 -10.269 -7.762 1.00 0.00 C ATOM 2132 O ASP A 137 19.864 -10.945 -7.474 1.00 0.00 O ATOM 2133 CB ASP A 137 16.654 -11.362 -8.115 1.00 0.00 C ATOM 2134 CG ASP A 137 15.683 -12.288 -7.409 1.00 0.00 C ATOM 2135 OD1 ASP A 137 15.511 -12.142 -6.181 1.00 0.00 O ATOM 2136 OD2 ASP A 137 15.095 -13.158 -8.085 1.00 0.00 O ATOM 0 H ASP A 137 15.927 -9.200 -7.185 1.00 0.00 H new ATOM 0 HA ASP A 137 17.675 -11.158 -6.235 1.00 0.00 H new ATOM 0 HB2 ASP A 137 16.098 -10.672 -8.749 1.00 0.00 H new ATOM 0 HB3 ASP A 137 17.299 -11.948 -8.770 1.00 0.00 H new ATOM 2141 N ARG A 138 18.919 -9.255 -8.620 1.00 0.00 N ATOM 2142 CA ARG A 138 20.157 -8.871 -9.289 1.00 0.00 C ATOM 2143 C ARG A 138 21.206 -8.424 -8.275 1.00 0.00 C ATOM 2144 O ARG A 138 22.349 -8.882 -8.305 1.00 0.00 O ATOM 2145 CB ARG A 138 19.892 -7.748 -10.293 1.00 0.00 C ATOM 2146 CG ARG A 138 21.141 -6.980 -10.691 1.00 0.00 C ATOM 2147 CD ARG A 138 21.027 -6.423 -12.102 1.00 0.00 C ATOM 2148 NE ARG A 138 20.259 -5.182 -12.139 1.00 0.00 N ATOM 2149 CZ ARG A 138 20.184 -4.396 -13.208 1.00 0.00 C ATOM 2150 NH1 ARG A 138 20.827 -4.721 -14.320 1.00 0.00 N ATOM 2151 NH2 ARG A 138 19.464 -3.282 -13.165 1.00 0.00 N ATOM 0 H ARG A 138 18.111 -8.685 -8.868 1.00 0.00 H new ATOM 0 HA ARG A 138 20.539 -9.742 -9.821 1.00 0.00 H new ATOM 0 HB2 ARG A 138 19.436 -8.172 -11.188 1.00 0.00 H new ATOM 0 HB3 ARG A 138 19.169 -7.053 -9.866 1.00 0.00 H new ATOM 0 HG2 ARG A 138 21.306 -6.163 -9.989 1.00 0.00 H new ATOM 0 HG3 ARG A 138 22.009 -7.636 -10.627 1.00 0.00 H new ATOM 0 HD2 ARG A 138 22.025 -6.244 -12.503 1.00 0.00 H new ATOM 0 HD3 ARG A 138 20.552 -7.163 -12.747 1.00 0.00 H new ATOM 0 HE ARG A 138 19.752 -4.903 -11.299 1.00 0.00 H new ATOM 0 HH11 ARG A 138 21.381 -5.576 -14.357 1.00 0.00 H new ATOM 0 HH12 ARG A 138 20.768 -4.116 -15.139 1.00 0.00 H new ATOM 0 HH21 ARG A 138 18.967 -3.028 -12.311 1.00 0.00 H new ATOM 0 HH22 ARG A 138 19.407 -2.679 -13.986 1.00 0.00 H new ATOM 2165 N LYS A 139 20.811 -7.527 -7.379 1.00 0.00 N ATOM 2166 CA LYS A 139 21.716 -7.018 -6.355 1.00 0.00 C ATOM 2167 C LYS A 139 22.124 -8.126 -5.389 1.00 0.00 C ATOM 2168 O LYS A 139 23.164 -8.042 -4.736 1.00 0.00 O ATOM 2169 CB LYS A 139 21.054 -5.873 -5.584 1.00 0.00 C ATOM 2170 CG LYS A 139 21.852 -5.412 -4.377 1.00 0.00 C ATOM 2171 CD LYS A 139 21.235 -4.178 -3.739 1.00 0.00 C ATOM 2172 CE LYS A 139 20.006 -4.531 -2.915 1.00 0.00 C ATOM 2173 NZ LYS A 139 20.372 -5.157 -1.614 1.00 0.00 N ATOM 0 H LYS A 139 19.869 -7.137 -7.341 1.00 0.00 H new ATOM 0 HA LYS A 139 22.612 -6.645 -6.851 1.00 0.00 H new ATOM 0 HB2 LYS A 139 20.909 -5.028 -6.258 1.00 0.00 H new ATOM 0 HB3 LYS A 139 20.065 -6.192 -5.255 1.00 0.00 H new ATOM 0 HG2 LYS A 139 21.901 -6.216 -3.643 1.00 0.00 H new ATOM 0 HG3 LYS A 139 22.876 -5.193 -4.679 1.00 0.00 H new ATOM 0 HD2 LYS A 139 21.973 -3.689 -3.103 1.00 0.00 H new ATOM 0 HD3 LYS A 139 20.961 -3.464 -4.516 1.00 0.00 H new ATOM 0 HE2 LYS A 139 19.420 -3.630 -2.733 1.00 0.00 H new ATOM 0 HE3 LYS A 139 19.373 -5.214 -3.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 19.518 -5.274 -1.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 20.804 -6.087 -1.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 21.050 -4.547 -1.114 1.00 0.00 H new ATOM 2187 N LYS A 140 21.299 -9.164 -5.305 1.00 0.00 N ATOM 2188 CA LYS A 140 21.575 -10.291 -4.422 1.00 0.00 C ATOM 2189 C LYS A 140 22.613 -11.224 -5.038 1.00 0.00 C ATOM 2190 O LYS A 140 23.233 -12.027 -4.339 1.00 0.00 O ATOM 2191 CB LYS A 140 20.287 -11.065 -4.131 1.00 0.00 C ATOM 2192 CG LYS A 140 19.540 -10.565 -2.906 1.00 0.00 C ATOM 2193 CD LYS A 140 18.058 -10.891 -2.985 1.00 0.00 C ATOM 2194 CE LYS A 140 17.799 -12.368 -2.733 1.00 0.00 C ATOM 2195 NZ LYS A 140 17.966 -13.179 -3.971 1.00 0.00 N ATOM 0 H LYS A 140 20.433 -9.248 -5.838 1.00 0.00 H new ATOM 0 HA LYS A 140 21.975 -9.898 -3.487 1.00 0.00 H new ATOM 0 HB2 LYS A 140 19.630 -11.000 -4.998 1.00 0.00 H new ATOM 0 HB3 LYS A 140 20.530 -12.119 -3.993 1.00 0.00 H new ATOM 0 HG2 LYS A 140 19.966 -11.017 -2.010 1.00 0.00 H new ATOM 0 HG3 LYS A 140 19.672 -9.487 -2.813 1.00 0.00 H new ATOM 0 HD2 LYS A 140 17.514 -10.295 -2.253 1.00 0.00 H new ATOM 0 HD3 LYS A 140 17.676 -10.616 -3.968 1.00 0.00 H new ATOM 0 HE2 LYS A 140 18.483 -12.731 -1.966 1.00 0.00 H new ATOM 0 HE3 LYS A 140 16.788 -12.499 -2.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 17.094 -13.714 -4.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 18.162 -12.549 -4.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 18.759 -13.841 -3.848 1.00 0.00 H new ATOM 2209 N HIS A 141 22.798 -11.112 -6.349 1.00 0.00 N ATOM 2210 CA HIS A 141 23.763 -11.945 -7.059 1.00 0.00 C ATOM 2211 C HIS A 141 25.157 -11.329 -7.002 1.00 0.00 C ATOM 2212 O HIS A 141 26.121 -11.903 -7.508 1.00 0.00 O ATOM 2213 CB HIS A 141 23.334 -12.132 -8.515 1.00 0.00 C ATOM 2214 CG HIS A 141 24.437 -12.611 -9.407 1.00 0.00 C ATOM 2215 ND1 HIS A 141 24.846 -13.927 -9.458 1.00 0.00 N ATOM 2216 CD2 HIS A 141 25.217 -11.942 -10.288 1.00 0.00 C ATOM 2217 CE1 HIS A 141 25.831 -14.046 -10.330 1.00 0.00 C ATOM 2218 NE2 HIS A 141 26.075 -12.856 -10.849 1.00 0.00 N ATOM 0 H HIS A 141 22.293 -10.453 -6.942 1.00 0.00 H new ATOM 0 HA HIS A 141 23.795 -12.919 -6.570 1.00 0.00 H new ATOM 0 HB2 HIS A 141 22.511 -12.845 -8.554 1.00 0.00 H new ATOM 0 HB3 HIS A 141 22.954 -11.185 -8.898 1.00 0.00 H new ATOM 0 HD1 HIS A 141 24.450 -14.689 -8.908 1.00 0.00 H new ATOM 0 HD2 HIS A 141 25.173 -10.886 -10.509 1.00 0.00 H new ATOM 0 HE1 HIS A 141 26.349 -14.961 -10.577 1.00 0.00 H new ATOM 2226 N MET A 142 25.257 -10.157 -6.383 1.00 0.00 N ATOM 2227 CA MET A 142 26.534 -9.464 -6.260 1.00 0.00 C ATOM 2228 C MET A 142 27.281 -9.919 -5.010 1.00 0.00 C ATOM 2229 O MET A 142 28.502 -9.783 -4.920 1.00 0.00 O ATOM 2230 CB MET A 142 26.315 -7.951 -6.215 1.00 0.00 C ATOM 2231 CG MET A 142 25.242 -7.463 -7.175 1.00 0.00 C ATOM 2232 SD MET A 142 25.902 -7.047 -8.801 1.00 0.00 S ATOM 2233 CE MET A 142 25.579 -8.565 -9.695 1.00 0.00 C ATOM 0 H MET A 142 24.469 -9.668 -5.959 1.00 0.00 H new ATOM 0 HA MET A 142 27.138 -9.710 -7.133 1.00 0.00 H new ATOM 0 HB2 MET A 142 26.042 -7.662 -5.200 1.00 0.00 H new ATOM 0 HB3 MET A 142 27.254 -7.449 -6.447 1.00 0.00 H new ATOM 0 HG2 MET A 142 24.479 -8.234 -7.283 1.00 0.00 H new ATOM 0 HG3 MET A 142 24.752 -6.587 -6.751 1.00 0.00 H new ATOM 0 HE1 MET A 142 26.433 -8.802 -10.330 1.00 0.00 H new ATOM 0 HE2 MET A 142 25.417 -9.377 -8.986 1.00 0.00 H new ATOM 0 HE3 MET A 142 24.690 -8.441 -10.314 1.00 0.00 H new ATOM 2243 N HIS A 143 26.541 -10.459 -4.047 1.00 0.00 N ATOM 2244 CA HIS A 143 27.134 -10.934 -2.802 1.00 0.00 C ATOM 2245 C HIS A 143 28.232 -11.957 -3.079 1.00 0.00 C ATOM 2246 O HIS A 143 29.099 -12.196 -2.239 1.00 0.00 O ATOM 2247 CB HIS A 143 26.061 -11.551 -1.904 1.00 0.00 C ATOM 2248 CG HIS A 143 25.608 -12.905 -2.355 1.00 0.00 C ATOM 2249 ND1 HIS A 143 26.482 -13.914 -2.702 1.00 0.00 N ATOM 2250 CD2 HIS A 143 24.365 -13.416 -2.512 1.00 0.00 C ATOM 2251 CE1 HIS A 143 25.795 -14.986 -3.056 1.00 0.00 C ATOM 2252 NE2 HIS A 143 24.508 -14.710 -2.949 1.00 0.00 N ATOM 0 H HIS A 143 25.530 -10.579 -4.105 1.00 0.00 H new ATOM 0 HA HIS A 143 27.578 -10.080 -2.291 1.00 0.00 H new ATOM 0 HB2 HIS A 143 26.449 -11.627 -0.888 1.00 0.00 H new ATOM 0 HB3 HIS A 143 25.201 -10.883 -1.868 1.00 0.00 H new ATOM 0 HD2 HIS A 143 23.433 -12.902 -2.328 1.00 0.00 H new ATOM 0 HE1 HIS A 143 26.215 -15.928 -3.378 1.00 0.00 H new ATOM 0 HE2 HIS A 143 23.744 -15.353 -3.157 1.00 0.00 H new ATOM 2260 N VAL A 144 28.187 -12.560 -4.263 1.00 0.00 N ATOM 2261 CA VAL A 144 29.178 -13.557 -4.651 1.00 0.00 C ATOM 2262 C VAL A 144 30.260 -12.942 -5.532 1.00 0.00 C ATOM 2263 O VAL A 144 31.316 -13.540 -5.745 1.00 0.00 O ATOM 2264 CB VAL A 144 28.526 -14.732 -5.403 1.00 0.00 C ATOM 2265 CG1 VAL A 144 27.246 -14.283 -6.091 1.00 0.00 C ATOM 2266 CG2 VAL A 144 29.500 -15.327 -6.409 1.00 0.00 C ATOM 0 H VAL A 144 27.475 -12.376 -4.970 1.00 0.00 H new ATOM 0 HA VAL A 144 29.630 -13.929 -3.732 1.00 0.00 H new ATOM 0 HB VAL A 144 28.269 -15.505 -4.679 1.00 0.00 H new ATOM 0 HG11 VAL A 144 26.800 -15.127 -6.617 1.00 0.00 H new ATOM 0 HG12 VAL A 144 26.544 -13.908 -5.346 1.00 0.00 H new ATOM 0 HG13 VAL A 144 27.475 -13.491 -6.804 1.00 0.00 H new ATOM 0 HG21 VAL A 144 29.022 -16.156 -6.931 1.00 0.00 H new ATOM 0 HG22 VAL A 144 29.790 -14.563 -7.130 1.00 0.00 H new ATOM 0 HG23 VAL A 144 30.386 -15.689 -5.887 1.00 0.00 H new ATOM 2276 N HIS A 145 29.992 -11.744 -6.041 1.00 0.00 N ATOM 2277 CA HIS A 145 30.944 -11.047 -6.898 1.00 0.00 C ATOM 2278 C HIS A 145 32.035 -10.378 -6.067 1.00 0.00 C ATOM 2279 O HIS A 145 32.942 -9.744 -6.607 1.00 0.00 O ATOM 2280 CB HIS A 145 30.225 -10.002 -7.751 1.00 0.00 C ATOM 2281 CG HIS A 145 29.742 -10.533 -9.067 1.00 0.00 C ATOM 2282 ND1 HIS A 145 30.583 -11.085 -10.010 1.00 0.00 N ATOM 2283 CD2 HIS A 145 28.497 -10.595 -9.593 1.00 0.00 C ATOM 2284 CE1 HIS A 145 29.876 -11.461 -11.060 1.00 0.00 C ATOM 2285 NE2 HIS A 145 28.607 -11.176 -10.832 1.00 0.00 N ATOM 0 H HIS A 145 29.123 -11.236 -5.875 1.00 0.00 H new ATOM 0 HA HIS A 145 31.410 -11.782 -7.554 1.00 0.00 H new ATOM 0 HB2 HIS A 145 29.375 -9.611 -7.192 1.00 0.00 H new ATOM 0 HB3 HIS A 145 30.900 -9.165 -7.932 1.00 0.00 H new ATOM 0 HD1 HIS A 145 31.593 -11.187 -9.912 1.00 0.00 H new ATOM 0 HD2 HIS A 145 27.586 -10.251 -9.125 1.00 0.00 H new ATOM 0 HE1 HIS A 145 30.269 -11.923 -11.954 1.00 0.00 H new ATOM 2293 N THR A 146 31.941 -10.523 -4.749 1.00 0.00 N ATOM 2294 CA THR A 146 32.918 -9.932 -3.843 1.00 0.00 C ATOM 2295 C THR A 146 34.337 -10.342 -4.221 1.00 0.00 C ATOM 2296 O THR A 146 35.214 -9.495 -4.385 1.00 0.00 O ATOM 2297 CB THR A 146 32.649 -10.342 -2.382 1.00 0.00 C ATOM 2298 OG1 THR A 146 31.757 -9.406 -1.767 1.00 0.00 O ATOM 2299 CG2 THR A 146 33.947 -10.407 -1.591 1.00 0.00 C ATOM 0 H THR A 146 31.198 -11.045 -4.285 1.00 0.00 H new ATOM 0 HA THR A 146 32.819 -8.850 -3.933 1.00 0.00 H new ATOM 0 HB THR A 146 32.192 -11.332 -2.384 1.00 0.00 H new ATOM 0 HG1 THR A 146 31.590 -9.674 -0.839 1.00 0.00 H new ATOM 0 HG21 THR A 146 33.732 -10.698 -0.563 1.00 0.00 H new ATOM 0 HG22 THR A 146 34.613 -11.141 -2.045 1.00 0.00 H new ATOM 0 HG23 THR A 146 34.427 -9.428 -1.598 1.00 0.00 H new ATOM 2307 N SER A 147 34.554 -11.646 -4.359 1.00 0.00 N ATOM 2308 CA SER A 147 35.868 -12.168 -4.715 1.00 0.00 C ATOM 2309 C SER A 147 35.768 -13.139 -5.887 1.00 0.00 C ATOM 2310 O SER A 147 36.136 -12.809 -7.014 1.00 0.00 O ATOM 2311 CB SER A 147 36.506 -12.867 -3.512 1.00 0.00 C ATOM 2312 OG SER A 147 37.671 -13.577 -3.894 1.00 0.00 O ATOM 0 H SER A 147 33.837 -12.360 -4.230 1.00 0.00 H new ATOM 0 HA SER A 147 36.496 -11.329 -5.014 1.00 0.00 H new ATOM 0 HB2 SER A 147 36.759 -12.129 -2.751 1.00 0.00 H new ATOM 0 HB3 SER A 147 35.788 -13.554 -3.064 1.00 0.00 H new ATOM 0 HG SER A 147 37.414 -14.401 -4.358 1.00 0.00 H new ATOM 2318 N ASP A 148 35.266 -14.338 -5.612 1.00 0.00 N ATOM 2319 CA ASP A 148 35.115 -15.358 -6.643 1.00 0.00 C ATOM 2320 C ASP A 148 33.667 -15.443 -7.116 1.00 0.00 C ATOM 2321 O ASP A 148 32.741 -15.498 -6.307 1.00 0.00 O ATOM 2322 CB ASP A 148 35.573 -16.719 -6.116 1.00 0.00 C ATOM 2323 CG ASP A 148 36.707 -16.600 -5.116 1.00 0.00 C ATOM 2324 OD1 ASP A 148 37.665 -15.847 -5.391 1.00 0.00 O ATOM 2325 OD2 ASP A 148 36.636 -17.260 -4.058 1.00 0.00 O ATOM 0 H ASP A 148 34.957 -14.627 -4.684 1.00 0.00 H new ATOM 0 HA ASP A 148 35.739 -15.077 -7.491 1.00 0.00 H new ATOM 0 HB2 ASP A 148 34.730 -17.226 -5.647 1.00 0.00 H new ATOM 0 HB3 ASP A 148 35.893 -17.340 -6.952 1.00 0.00 H new ATOM 2330 N LYS A 149 33.479 -15.452 -8.431 1.00 0.00 N ATOM 2331 CA LYS A 149 32.145 -15.530 -9.013 1.00 0.00 C ATOM 2332 C LYS A 149 31.484 -16.865 -8.682 1.00 0.00 C ATOM 2333 O LYS A 149 30.293 -17.056 -8.926 1.00 0.00 O ATOM 2334 CB LYS A 149 32.216 -15.347 -10.531 1.00 0.00 C ATOM 2335 CG LYS A 149 33.342 -16.129 -11.186 1.00 0.00 C ATOM 2336 CD LYS A 149 33.001 -16.504 -12.618 1.00 0.00 C ATOM 2337 CE LYS A 149 34.113 -17.318 -13.261 1.00 0.00 C ATOM 2338 NZ LYS A 149 33.997 -17.340 -14.746 1.00 0.00 N ATOM 0 H LYS A 149 34.235 -15.406 -9.114 1.00 0.00 H new ATOM 0 HA LYS A 149 31.542 -14.729 -8.585 1.00 0.00 H new ATOM 0 HB2 LYS A 149 31.267 -15.655 -10.970 1.00 0.00 H new ATOM 0 HB3 LYS A 149 32.342 -14.288 -10.755 1.00 0.00 H new ATOM 0 HG2 LYS A 149 34.255 -15.534 -11.172 1.00 0.00 H new ATOM 0 HG3 LYS A 149 33.542 -17.033 -10.610 1.00 0.00 H new ATOM 0 HD2 LYS A 149 32.074 -17.076 -12.634 1.00 0.00 H new ATOM 0 HD3 LYS A 149 32.827 -15.599 -13.201 1.00 0.00 H new ATOM 0 HE2 LYS A 149 35.079 -16.900 -12.978 1.00 0.00 H new ATOM 0 HE3 LYS A 149 34.083 -18.339 -12.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 149 34.773 -17.905 -15.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 149 33.086 -17.762 -15.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 149 34.051 -16.368 -15.113 1.00 0.00 H new ATOM 2352 N SER A 150 32.265 -17.784 -8.124 1.00 0.00 N ATOM 2353 CA SER A 150 31.756 -19.102 -7.762 1.00 0.00 C ATOM 2354 C SER A 150 31.213 -19.101 -6.336 1.00 0.00 C ATOM 2355 O SER A 150 31.365 -18.126 -5.602 1.00 0.00 O ATOM 2356 CB SER A 150 32.859 -20.153 -7.898 1.00 0.00 C ATOM 2357 OG SER A 150 34.132 -19.596 -7.624 1.00 0.00 O ATOM 0 H SER A 150 33.252 -17.641 -7.913 1.00 0.00 H new ATOM 0 HA SER A 150 30.942 -19.350 -8.443 1.00 0.00 H new ATOM 0 HB2 SER A 150 32.665 -20.979 -7.213 1.00 0.00 H new ATOM 0 HB3 SER A 150 32.849 -20.566 -8.907 1.00 0.00 H new ATOM 0 HG SER A 150 34.819 -20.289 -7.716 1.00 0.00 H new ATOM 2363 N GLY A 151 30.577 -20.204 -5.951 1.00 0.00 N ATOM 2364 CA GLY A 151 30.020 -20.311 -4.615 1.00 0.00 C ATOM 2365 C GLY A 151 28.524 -20.069 -4.590 1.00 0.00 C ATOM 2366 O GLY A 151 28.052 -19.010 -4.176 1.00 0.00 O ATOM 0 H GLY A 151 30.438 -21.025 -6.540 1.00 0.00 H new ATOM 0 HA2 GLY A 151 30.231 -21.303 -4.215 1.00 0.00 H new ATOM 0 HA3 GLY A 151 30.512 -19.592 -3.961 1.00 0.00 H new ATOM 2370 N PRO A 152 27.751 -21.067 -5.043 1.00 0.00 N ATOM 2371 CA PRO A 152 26.288 -20.981 -5.082 1.00 0.00 C ATOM 2372 C PRO A 152 25.669 -21.003 -3.689 1.00 0.00 C ATOM 2373 O PRO A 152 26.205 -21.624 -2.771 1.00 0.00 O ATOM 2374 CB PRO A 152 25.880 -22.229 -5.869 1.00 0.00 C ATOM 2375 CG PRO A 152 26.999 -23.191 -5.661 1.00 0.00 C ATOM 2376 CD PRO A 152 28.246 -22.357 -5.552 1.00 0.00 C ATOM 0 HA PRO A 152 25.946 -20.048 -5.530 1.00 0.00 H new ATOM 0 HB2 PRO A 152 24.936 -22.635 -5.505 1.00 0.00 H new ATOM 0 HB3 PRO A 152 25.744 -22.003 -6.927 1.00 0.00 H new ATOM 0 HG2 PRO A 152 26.844 -23.781 -4.758 1.00 0.00 H new ATOM 0 HG3 PRO A 152 27.070 -23.893 -6.492 1.00 0.00 H new ATOM 0 HD2 PRO A 152 28.971 -22.805 -4.873 1.00 0.00 H new ATOM 0 HD3 PRO A 152 28.740 -22.245 -6.517 1.00 0.00 H new ATOM 2384 N SER A 153 24.538 -20.322 -3.538 1.00 0.00 N ATOM 2385 CA SER A 153 23.847 -20.261 -2.255 1.00 0.00 C ATOM 2386 C SER A 153 22.336 -20.184 -2.455 1.00 0.00 C ATOM 2387 O SER A 153 21.858 -19.687 -3.474 1.00 0.00 O ATOM 2388 CB SER A 153 24.329 -19.053 -1.450 1.00 0.00 C ATOM 2389 OG SER A 153 24.001 -19.192 -0.078 1.00 0.00 O ATOM 0 H SER A 153 24.080 -19.804 -4.288 1.00 0.00 H new ATOM 0 HA SER A 153 24.077 -21.172 -1.702 1.00 0.00 H new ATOM 0 HB2 SER A 153 25.408 -18.945 -1.560 1.00 0.00 H new ATOM 0 HB3 SER A 153 23.876 -18.144 -1.845 1.00 0.00 H new ATOM 0 HG SER A 153 24.321 -18.408 0.416 1.00 0.00 H new ATOM 2395 N SER A 154 21.590 -20.681 -1.474 1.00 0.00 N ATOM 2396 CA SER A 154 20.134 -20.673 -1.541 1.00 0.00 C ATOM 2397 C SER A 154 19.586 -19.272 -1.285 1.00 0.00 C ATOM 2398 O SER A 154 20.004 -18.591 -0.350 1.00 0.00 O ATOM 2399 CB SER A 154 19.549 -21.655 -0.525 1.00 0.00 C ATOM 2400 OG SER A 154 18.263 -22.098 -0.924 1.00 0.00 O ATOM 0 H SER A 154 21.970 -21.095 -0.623 1.00 0.00 H new ATOM 0 HA SER A 154 19.840 -20.982 -2.544 1.00 0.00 H new ATOM 0 HB2 SER A 154 20.215 -22.511 -0.418 1.00 0.00 H new ATOM 0 HB3 SER A 154 19.485 -21.177 0.452 1.00 0.00 H new ATOM 0 HG SER A 154 17.912 -22.726 -0.258 1.00 0.00 H new ATOM 2406 N GLY A 155 18.646 -18.848 -2.125 1.00 0.00 N ATOM 2407 CA GLY A 155 18.056 -17.531 -1.974 1.00 0.00 C ATOM 2408 C GLY A 155 16.541 -17.569 -1.992 1.00 0.00 C ATOM 2409 O GLY A 155 15.947 -18.193 -1.114 1.00 0.00 O ATOM 0 H GLY A 155 18.283 -19.393 -2.907 1.00 0.00 H new ATOM 0 HA2 GLY A 155 18.394 -17.090 -1.036 1.00 0.00 H new ATOM 0 HA3 GLY A 155 18.410 -16.884 -2.776 1.00 0.00 H new TER 2413 GLY A 155 HETATM 2414 ZN ZN A 201 -9.153 18.061 -20.616 1.00 0.00 ZN HETATM 2415 ZN ZN A 401 1.931 18.397 -19.149 1.00 0.00 ZN HETATM 2416 ZN ZN A 601 9.324 -4.386 -25.365 1.00 0.00 ZN HETATM 2417 ZN ZN A 801 27.145 -11.764 -12.024 1.00 0.00 ZN