USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 778 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 SER OG : rot -150:sc= -0.118 USER MOD Set 1.2: A 72 HIS :FLIP no HE2:sc= -1.57 F(o=-3.6,f=-0.45) USER MOD Set 1.3: B 116 THR OG1 : rot 151:sc= 1.24 USER MOD Set 2.1: A 68 SER OG : rot 180:sc= 0.0316 USER MOD Set 2.2: A 69 ASN : amide:sc= -0.129 X(o=-0.098,f=-0.095) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -139:sc= -0.177 (180deg=-1) USER MOD Single : A 12 LYS NZ :NH3+ -158:sc= -0.0419 (180deg=-0.229) USER MOD Single : A 16 SER OG : rot 49:sc= 0.205 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 CYS SG : rot -33:sc= -8.91! USER MOD Single : A 26 SER OG : rot 180:sc= -1.96 USER MOD Single : A 28 SER OG : rot -120:sc= -1.33 USER MOD Single : A 33 GLN : amide:sc= -0.342 K(o=-0.34,f=-2.8!) USER MOD Single : A 34 LYS NZ :NH3+ -157:sc= -0.565 (180deg=-1.22) USER MOD Single : A 40 SER OG : rot -120:sc= -0.016 USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 138:sc= -0.13 (180deg=-1.08) USER MOD Single : A 46 SER OG : rot 104:sc= 0.113 USER MOD Single : A 48 SER OG : rot 90:sc= -1.35 USER MOD Single : A 58 GLN : amide:sc= 0.117 X(o=0.12,f=0) USER MOD Single : A 63 ASN : amide:sc= -1.39 K(o=-1.4,f=-2.4!) USER MOD Single : A 73 LYS NZ :NH3+ 153:sc= -0.15 (180deg=-0.823) USER MOD Single : A 77 ASN : amide:sc= -0.276 X(o=-0.28,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : B 111 THR OG1 : rot -33:sc= 0.211 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 9 -6.139 -3.459 -14.171 1.00 0.00 N ATOM 2 CA LYS A 9 -5.146 -2.748 -15.021 1.00 0.00 C ATOM 3 C LYS A 9 -4.148 -1.970 -14.170 1.00 0.00 C ATOM 4 O LYS A 9 -4.503 -1.421 -13.126 1.00 0.00 O ATOM 5 CB LYS A 9 -5.898 -1.799 -15.956 1.00 0.00 C ATOM 6 CG LYS A 9 -5.153 -1.503 -17.247 1.00 0.00 C ATOM 7 CD LYS A 9 -4.479 -0.141 -17.204 1.00 0.00 C ATOM 8 CE LYS A 9 -4.344 0.458 -18.595 1.00 0.00 C ATOM 9 NZ LYS A 9 -3.896 1.877 -18.548 1.00 0.00 N ATOM 0 HA LYS A 9 -4.582 -3.478 -15.601 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -6.868 -2.233 -16.197 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.089 -0.862 -15.433 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.404 -2.275 -17.421 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.848 -1.539 -18.086 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -5.057 0.532 -16.571 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.492 -0.236 -16.750 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.632 -0.128 -19.175 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.302 0.397 -19.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.816 2.248 -19.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.588 2.442 -18.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -2.970 1.933 -18.079 1.00 0.00 H new ATOM 25 N GLU A 10 -2.899 -1.927 -14.621 1.00 0.00 N ATOM 26 CA GLU A 10 -1.850 -1.215 -13.901 1.00 0.00 C ATOM 27 C GLU A 10 -2.193 0.264 -13.760 1.00 0.00 C ATOM 28 O GLU A 10 -2.576 0.917 -14.731 1.00 0.00 O ATOM 29 CB GLU A 10 -0.510 -1.374 -14.623 1.00 0.00 C ATOM 30 CG GLU A 10 -0.123 -2.822 -14.876 1.00 0.00 C ATOM 31 CD GLU A 10 1.207 -2.953 -15.593 1.00 0.00 C ATOM 32 OE1 GLU A 10 2.037 -2.029 -15.476 1.00 0.00 O ATOM 33 OE2 GLU A 10 1.416 -3.980 -16.273 1.00 0.00 O ATOM 0 H GLU A 10 -2.588 -2.377 -15.482 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.771 -1.647 -12.903 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.556 -0.847 -15.576 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.271 -0.896 -14.031 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.073 -3.352 -13.925 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.900 -3.304 -15.469 1.00 0.00 H new ATOM 40 N LYS A 11 -2.055 0.786 -12.546 1.00 0.00 N ATOM 41 CA LYS A 11 -2.353 2.191 -12.279 1.00 0.00 C ATOM 42 C LYS A 11 -1.078 2.962 -11.936 1.00 0.00 C ATOM 43 O LYS A 11 -0.197 2.452 -11.246 1.00 0.00 O ATOM 44 CB LYS A 11 -3.379 2.298 -11.142 1.00 0.00 C ATOM 45 CG LYS A 11 -3.603 3.714 -10.625 1.00 0.00 C ATOM 46 CD LYS A 11 -3.698 3.740 -9.106 1.00 0.00 C ATOM 47 CE LYS A 11 -5.050 4.245 -8.631 1.00 0.00 C ATOM 48 NZ LYS A 11 -5.417 5.538 -9.275 1.00 0.00 N ATOM 0 H LYS A 11 -1.739 0.259 -11.732 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.778 2.637 -13.178 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.331 1.897 -11.490 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.052 1.670 -10.314 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.785 4.356 -10.951 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.518 4.120 -11.056 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.527 2.737 -8.714 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.911 4.378 -8.704 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.814 3.500 -8.852 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.031 4.371 -7.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.851 6.166 -8.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.563 5.989 -9.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.094 5.363 -10.045 1.00 0.00 H new ATOM 62 N LYS A 12 -0.987 4.194 -12.425 1.00 0.00 N ATOM 63 CA LYS A 12 0.181 5.032 -12.172 1.00 0.00 C ATOM 64 C LYS A 12 -0.168 6.173 -11.222 1.00 0.00 C ATOM 65 O LYS A 12 -1.266 6.725 -11.276 1.00 0.00 O ATOM 66 CB LYS A 12 0.726 5.595 -13.485 1.00 0.00 C ATOM 67 CG LYS A 12 2.138 6.147 -13.371 1.00 0.00 C ATOM 68 CD LYS A 12 3.129 5.065 -12.974 1.00 0.00 C ATOM 69 CE LYS A 12 4.431 5.191 -13.748 1.00 0.00 C ATOM 70 NZ LYS A 12 4.250 4.885 -15.195 1.00 0.00 N ATOM 0 H LYS A 12 -1.707 4.635 -12.998 1.00 0.00 H new ATOM 0 HA LYS A 12 0.948 4.414 -11.705 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.712 4.810 -14.241 1.00 0.00 H new ATOM 0 HB3 LYS A 12 0.063 6.386 -13.835 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.437 6.584 -14.324 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.158 6.949 -12.633 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.332 5.131 -11.905 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.690 4.084 -13.155 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.823 6.202 -13.637 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.172 4.514 -13.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.165 4.616 -15.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 3.577 4.099 -15.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 3.882 5.726 -15.684 1.00 0.00 H new ATOM 84 N VAL A 13 0.775 6.522 -10.351 1.00 0.00 N ATOM 85 CA VAL A 13 0.562 7.597 -9.391 1.00 0.00 C ATOM 86 C VAL A 13 1.870 8.300 -9.044 1.00 0.00 C ATOM 87 O VAL A 13 2.945 7.707 -9.123 1.00 0.00 O ATOM 88 CB VAL A 13 -0.081 7.073 -8.094 1.00 0.00 C ATOM 89 CG1 VAL A 13 -0.504 8.227 -7.200 1.00 0.00 C ATOM 90 CG2 VAL A 13 -1.266 6.175 -8.410 1.00 0.00 C ATOM 0 H VAL A 13 1.691 6.077 -10.291 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.114 8.309 -9.865 1.00 0.00 H new ATOM 0 HB VAL A 13 0.662 6.483 -7.558 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.956 7.835 -6.289 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.369 8.827 -6.943 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.229 8.848 -7.726 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.707 5.814 -7.481 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.011 6.740 -8.970 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.931 5.326 -9.006 1.00 0.00 H new ATOM 100 N PHE A 14 1.767 9.567 -8.658 1.00 0.00 N ATOM 101 CA PHE A 14 2.937 10.355 -8.293 1.00 0.00 C ATOM 102 C PHE A 14 2.642 11.222 -7.073 1.00 0.00 C ATOM 103 O PHE A 14 1.810 12.127 -7.130 1.00 0.00 O ATOM 104 CB PHE A 14 3.374 11.234 -9.466 1.00 0.00 C ATOM 105 CG PHE A 14 2.296 12.157 -9.961 1.00 0.00 C ATOM 106 CD1 PHE A 14 1.349 11.713 -10.869 1.00 0.00 C ATOM 107 CD2 PHE A 14 2.232 13.468 -9.518 1.00 0.00 C ATOM 108 CE1 PHE A 14 0.358 12.560 -11.328 1.00 0.00 C ATOM 109 CE2 PHE A 14 1.243 14.320 -9.972 1.00 0.00 C ATOM 110 CZ PHE A 14 0.304 13.865 -10.878 1.00 0.00 C ATOM 0 H PHE A 14 0.883 10.071 -8.590 1.00 0.00 H new ATOM 0 HA PHE A 14 3.747 9.669 -8.045 1.00 0.00 H new ATOM 0 HB2 PHE A 14 4.237 11.827 -9.163 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.699 10.595 -10.287 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.385 10.693 -11.222 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.963 13.828 -8.810 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.373 12.202 -12.038 1.00 0.00 H new ATOM 0 HE2 PHE A 14 1.204 15.340 -9.619 1.00 0.00 H new ATOM 0 HZ PHE A 14 -0.471 14.528 -11.234 1.00 0.00 H new ATOM 120 N ILE A 15 3.326 10.935 -5.970 1.00 0.00 N ATOM 121 CA ILE A 15 3.132 11.688 -4.735 1.00 0.00 C ATOM 122 C ILE A 15 4.202 12.762 -4.571 1.00 0.00 C ATOM 123 O ILE A 15 5.393 12.459 -4.490 1.00 0.00 O ATOM 124 CB ILE A 15 3.152 10.760 -3.506 1.00 0.00 C ATOM 125 CG1 ILE A 15 2.149 9.618 -3.687 1.00 0.00 C ATOM 126 CG2 ILE A 15 2.844 11.546 -2.239 1.00 0.00 C ATOM 127 CD1 ILE A 15 0.718 10.089 -3.830 1.00 0.00 C ATOM 0 H ILE A 15 4.018 10.188 -5.906 1.00 0.00 H new ATOM 0 HA ILE A 15 2.155 12.166 -4.803 1.00 0.00 H new ATOM 0 HB ILE A 15 4.150 10.333 -3.410 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.423 9.041 -4.570 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.218 8.945 -2.832 1.00 0.00 H new ATOM 0 HG21 ILE A 15 2.862 10.874 -1.381 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.592 12.327 -2.105 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.857 12.000 -2.323 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.062 9.227 -3.955 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.426 10.641 -2.937 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.634 10.738 -4.702 1.00 0.00 H new ATOM 139 N SER A 16 3.767 14.017 -4.519 1.00 0.00 N ATOM 140 CA SER A 16 4.683 15.139 -4.362 1.00 0.00 C ATOM 141 C SER A 16 4.235 16.052 -3.225 1.00 0.00 C ATOM 142 O SER A 16 3.223 16.745 -3.335 1.00 0.00 O ATOM 143 CB SER A 16 4.778 15.936 -5.664 1.00 0.00 C ATOM 144 OG SER A 16 3.491 16.226 -6.180 1.00 0.00 O ATOM 0 H SER A 16 2.784 14.282 -4.583 1.00 0.00 H new ATOM 0 HA SER A 16 5.667 14.739 -4.118 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.320 16.865 -5.486 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.349 15.370 -6.400 1.00 0.00 H new ATOM 0 HG SER A 16 2.929 16.598 -5.468 1.00 0.00 H new ATOM 150 N LEU A 17 4.993 16.046 -2.134 1.00 0.00 N ATOM 151 CA LEU A 17 4.673 16.872 -0.975 1.00 0.00 C ATOM 152 C LEU A 17 4.639 18.350 -1.354 1.00 0.00 C ATOM 153 O LEU A 17 5.626 18.899 -1.843 1.00 0.00 O ATOM 154 CB LEU A 17 5.696 16.641 0.138 1.00 0.00 C ATOM 155 CG LEU A 17 5.141 16.751 1.559 1.00 0.00 C ATOM 156 CD1 LEU A 17 5.727 15.665 2.449 1.00 0.00 C ATOM 157 CD2 LEU A 17 5.427 18.128 2.138 1.00 0.00 C ATOM 0 H LEU A 17 5.834 15.478 -2.028 1.00 0.00 H new ATOM 0 HA LEU A 17 3.685 16.585 -0.615 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.132 15.650 0.010 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.505 17.363 0.023 1.00 0.00 H new ATOM 0 HG LEU A 17 4.061 16.613 1.517 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.320 15.760 3.456 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.470 14.686 2.045 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.811 15.770 2.485 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.025 18.188 3.149 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.504 18.295 2.165 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.957 18.889 1.515 1.00 0.00 H new ATOM 169 N VAL A 18 3.495 18.988 -1.121 1.00 0.00 N ATOM 170 CA VAL A 18 3.333 20.402 -1.436 1.00 0.00 C ATOM 171 C VAL A 18 4.139 21.273 -0.478 1.00 0.00 C ATOM 172 O VAL A 18 4.850 22.185 -0.902 1.00 0.00 O ATOM 173 CB VAL A 18 1.853 20.826 -1.375 1.00 0.00 C ATOM 174 CG1 VAL A 18 1.684 22.258 -1.859 1.00 0.00 C ATOM 175 CG2 VAL A 18 0.989 19.876 -2.192 1.00 0.00 C ATOM 0 H VAL A 18 2.669 18.548 -0.716 1.00 0.00 H new ATOM 0 HA VAL A 18 3.702 20.544 -2.452 1.00 0.00 H new ATOM 0 HB VAL A 18 1.526 20.777 -0.336 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.632 22.538 -1.808 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.268 22.927 -1.227 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.031 22.337 -2.889 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.053 20.192 -2.136 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.317 19.889 -3.231 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.083 18.866 -1.794 1.00 0.00 H new ATOM 185 N GLY A 19 4.022 20.986 0.813 1.00 0.00 N ATOM 186 CA GLY A 19 4.747 21.753 1.812 1.00 0.00 C ATOM 187 C GLY A 19 5.032 20.950 3.066 1.00 0.00 C ATOM 188 O GLY A 19 6.188 20.779 3.452 1.00 0.00 O ATOM 0 H GLY A 19 3.439 20.237 1.187 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.688 22.101 1.386 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.169 22.639 2.075 1.00 0.00 H new ATOM 192 N SER A 20 3.975 20.458 3.705 1.00 0.00 N ATOM 193 CA SER A 20 4.117 19.671 4.923 1.00 0.00 C ATOM 194 C SER A 20 2.829 18.915 5.237 1.00 0.00 C ATOM 195 O SER A 20 2.330 18.955 6.362 1.00 0.00 O ATOM 196 CB SER A 20 4.494 20.575 6.099 1.00 0.00 C ATOM 197 OG SER A 20 5.097 19.831 7.143 1.00 0.00 O ATOM 0 H SER A 20 3.011 20.591 3.399 1.00 0.00 H new ATOM 0 HA SER A 20 4.913 18.943 4.765 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.179 21.352 5.759 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.603 21.078 6.475 1.00 0.00 H new ATOM 0 HG SER A 20 5.329 20.432 7.881 1.00 0.00 H new ATOM 203 N ARG A 21 2.294 18.228 4.233 1.00 0.00 N ATOM 204 CA ARG A 21 1.063 17.464 4.399 1.00 0.00 C ATOM 205 C ARG A 21 1.336 15.965 4.331 1.00 0.00 C ATOM 206 O ARG A 21 0.645 15.168 4.964 1.00 0.00 O ATOM 207 CB ARG A 21 0.046 17.856 3.328 1.00 0.00 C ATOM 208 CG ARG A 21 -1.338 17.271 3.559 1.00 0.00 C ATOM 209 CD ARG A 21 -2.371 17.905 2.641 1.00 0.00 C ATOM 210 NE ARG A 21 -3.141 18.946 3.319 1.00 0.00 N ATOM 211 CZ ARG A 21 -3.979 18.711 4.325 1.00 0.00 C ATOM 212 NH1 ARG A 21 -4.161 17.474 4.771 1.00 0.00 N ATOM 213 NH2 ARG A 21 -4.640 19.715 4.887 1.00 0.00 N ATOM 0 H ARG A 21 2.694 18.185 3.296 1.00 0.00 H new ATOM 0 HA ARG A 21 0.654 17.696 5.382 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.030 18.943 3.291 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.412 17.529 2.355 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.312 16.194 3.391 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.630 17.424 4.598 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.870 18.332 1.772 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -3.049 17.135 2.272 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.029 19.909 3.002 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -3.657 16.698 4.342 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.805 17.300 5.543 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.506 20.667 4.548 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -5.282 19.534 5.658 1.00 0.00 H new ATOM 227 N GLY A 22 2.349 15.590 3.559 1.00 0.00 N ATOM 228 CA GLY A 22 2.698 14.187 3.422 1.00 0.00 C ATOM 229 C GLY A 22 2.011 13.532 2.239 1.00 0.00 C ATOM 230 O GLY A 22 2.160 13.977 1.102 1.00 0.00 O ATOM 0 H GLY A 22 2.935 16.232 3.025 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.778 14.094 3.309 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.426 13.657 4.335 1.00 0.00 H new ATOM 234 N LEU A 23 1.256 12.472 2.509 1.00 0.00 N ATOM 235 CA LEU A 23 0.544 11.752 1.462 1.00 0.00 C ATOM 236 C LEU A 23 -0.947 11.680 1.779 1.00 0.00 C ATOM 237 O LEU A 23 -1.788 11.998 0.938 1.00 0.00 O ATOM 238 CB LEU A 23 1.125 10.342 1.308 1.00 0.00 C ATOM 239 CG LEU A 23 0.232 9.336 0.577 1.00 0.00 C ATOM 240 CD1 LEU A 23 0.048 9.740 -0.878 1.00 0.00 C ATOM 241 CD2 LEU A 23 0.818 7.936 0.675 1.00 0.00 C ATOM 0 H LEU A 23 1.122 12.093 3.446 1.00 0.00 H new ATOM 0 HA LEU A 23 0.668 12.290 0.522 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.072 10.415 0.774 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.348 9.950 2.300 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.747 9.334 1.056 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.590 9.012 -1.380 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.417 10.724 -0.926 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.019 9.773 -1.372 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.171 7.233 0.150 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.809 7.924 0.222 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.894 7.646 1.723 1.00 0.00 H new ATOM 253 N GLY A 24 -1.267 11.254 2.997 1.00 0.00 N ATOM 254 CA GLY A 24 -2.654 11.142 3.403 1.00 0.00 C ATOM 255 C GLY A 24 -3.194 9.737 3.229 1.00 0.00 C ATOM 256 O GLY A 24 -4.390 9.547 3.009 1.00 0.00 O ATOM 0 H GLY A 24 -0.589 10.984 3.710 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.749 11.438 4.448 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.258 11.836 2.818 1.00 0.00 H new ATOM 260 N CYS A 25 -2.308 8.750 3.318 1.00 0.00 N ATOM 261 CA CYS A 25 -2.701 7.355 3.161 1.00 0.00 C ATOM 262 C CYS A 25 -1.846 6.442 4.030 1.00 0.00 C ATOM 263 O CYS A 25 -0.754 6.817 4.459 1.00 0.00 O ATOM 264 CB CYS A 25 -2.574 6.937 1.695 1.00 0.00 C ATOM 265 SG CYS A 25 -3.985 5.994 1.072 1.00 0.00 S ATOM 0 H CYS A 25 -1.314 8.891 3.498 1.00 0.00 H new ATOM 0 HA CYS A 25 -3.739 7.259 3.479 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -2.449 7.830 1.083 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.670 6.340 1.576 1.00 0.00 H new ATOM 0 HG CYS A 25 -4.478 5.266 2.030 1.00 0.00 H new ATOM 271 N SER A 26 -2.346 5.237 4.274 1.00 0.00 N ATOM 272 CA SER A 26 -1.628 4.259 5.080 1.00 0.00 C ATOM 273 C SER A 26 -1.244 3.058 4.222 1.00 0.00 C ATOM 274 O SER A 26 -1.639 2.966 3.061 1.00 0.00 O ATOM 275 CB SER A 26 -2.487 3.807 6.263 1.00 0.00 C ATOM 276 OG SER A 26 -2.178 4.551 7.430 1.00 0.00 O ATOM 0 H SER A 26 -3.248 4.914 3.924 1.00 0.00 H new ATOM 0 HA SER A 26 -0.721 4.724 5.467 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.542 3.929 6.018 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.324 2.746 6.450 1.00 0.00 H new ATOM 0 HG SER A 26 -2.741 4.245 8.172 1.00 0.00 H new ATOM 282 N ILE A 27 -0.470 2.143 4.792 1.00 0.00 N ATOM 283 CA ILE A 27 -0.041 0.958 4.061 1.00 0.00 C ATOM 284 C ILE A 27 0.010 -0.265 4.967 1.00 0.00 C ATOM 285 O ILE A 27 0.505 -0.200 6.092 1.00 0.00 O ATOM 286 CB ILE A 27 1.339 1.162 3.410 1.00 0.00 C ATOM 287 CG1 ILE A 27 2.365 1.596 4.457 1.00 0.00 C ATOM 288 CG2 ILE A 27 1.251 2.187 2.291 1.00 0.00 C ATOM 289 CD1 ILE A 27 3.758 1.771 3.896 1.00 0.00 C ATOM 0 H ILE A 27 -0.129 2.198 5.752 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.780 0.792 3.277 1.00 0.00 H new ATOM 0 HB ILE A 27 1.664 0.213 2.983 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.041 2.535 4.905 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.393 0.855 5.256 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.235 2.320 1.841 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.549 1.839 1.533 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.906 3.138 2.695 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.435 2.079 4.693 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.101 0.827 3.473 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.743 2.533 3.117 1.00 0.00 H new ATOM 301 N SER A 28 -0.509 -1.379 4.464 1.00 0.00 N ATOM 302 CA SER A 28 -0.529 -2.626 5.217 1.00 0.00 C ATOM 303 C SER A 28 0.248 -3.711 4.481 1.00 0.00 C ATOM 304 O SER A 28 0.498 -3.601 3.280 1.00 0.00 O ATOM 305 CB SER A 28 -1.969 -3.082 5.453 1.00 0.00 C ATOM 306 OG SER A 28 -2.010 -4.277 6.213 1.00 0.00 O ATOM 0 H SER A 28 -0.923 -1.443 3.534 1.00 0.00 H new ATOM 0 HA SER A 28 -0.052 -2.450 6.181 1.00 0.00 H new ATOM 0 HB2 SER A 28 -2.521 -2.299 5.972 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.465 -3.240 4.495 1.00 0.00 H new ATOM 0 HG SER A 28 -2.457 -4.979 5.695 1.00 0.00 H new ATOM 312 N SER A 29 0.625 -4.758 5.203 1.00 0.00 N ATOM 313 CA SER A 29 1.371 -5.861 4.613 1.00 0.00 C ATOM 314 C SER A 29 0.470 -7.076 4.420 1.00 0.00 C ATOM 315 O SER A 29 -0.455 -7.304 5.197 1.00 0.00 O ATOM 316 CB SER A 29 2.565 -6.230 5.497 1.00 0.00 C ATOM 317 OG SER A 29 3.738 -5.552 5.080 1.00 0.00 O ATOM 0 H SER A 29 0.426 -4.866 6.198 1.00 0.00 H new ATOM 0 HA SER A 29 1.739 -5.541 3.638 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.345 -5.978 6.534 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.731 -7.307 5.459 1.00 0.00 H new ATOM 0 HG SER A 29 4.524 -6.099 5.288 1.00 0.00 H new ATOM 323 N GLY A 30 0.745 -7.849 3.374 1.00 0.00 N ATOM 324 CA GLY A 30 -0.055 -9.025 3.094 1.00 0.00 C ATOM 325 C GLY A 30 0.463 -10.263 3.799 1.00 0.00 C ATOM 326 O GLY A 30 1.443 -10.195 4.540 1.00 0.00 O ATOM 0 H GLY A 30 1.507 -7.681 2.717 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -1.085 -8.841 3.400 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.069 -9.203 2.019 1.00 0.00 H new ATOM 330 N PRO A 31 -0.181 -11.422 3.585 1.00 0.00 N ATOM 331 CA PRO A 31 0.230 -12.683 4.213 1.00 0.00 C ATOM 332 C PRO A 31 1.599 -13.148 3.731 1.00 0.00 C ATOM 333 O PRO A 31 2.344 -12.385 3.116 1.00 0.00 O ATOM 334 CB PRO A 31 -0.858 -13.673 3.780 1.00 0.00 C ATOM 335 CG PRO A 31 -1.441 -13.086 2.542 1.00 0.00 C ATOM 336 CD PRO A 31 -1.359 -11.597 2.715 1.00 0.00 C ATOM 0 HA PRO A 31 0.326 -12.587 5.294 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.439 -14.661 3.589 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.615 -13.792 4.555 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -0.888 -13.408 1.659 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -2.474 -13.407 2.406 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.233 -11.087 1.760 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.262 -11.195 3.174 1.00 0.00 H new ATOM 344 N ILE A 32 1.926 -14.405 4.014 1.00 0.00 N ATOM 345 CA ILE A 32 3.207 -14.971 3.611 1.00 0.00 C ATOM 346 C ILE A 32 3.141 -15.520 2.189 1.00 0.00 C ATOM 347 O ILE A 32 4.142 -15.530 1.471 1.00 0.00 O ATOM 348 CB ILE A 32 3.648 -16.098 4.565 1.00 0.00 C ATOM 349 CG1 ILE A 32 3.552 -15.634 6.021 1.00 0.00 C ATOM 350 CG2 ILE A 32 5.064 -16.547 4.237 1.00 0.00 C ATOM 351 CD1 ILE A 32 2.837 -16.617 6.922 1.00 0.00 C ATOM 0 H ILE A 32 1.321 -15.051 4.521 1.00 0.00 H new ATOM 0 HA ILE A 32 3.938 -14.163 3.653 1.00 0.00 H new ATOM 0 HB ILE A 32 2.979 -16.948 4.431 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.557 -15.464 6.407 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.032 -14.677 6.055 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.361 -17.343 4.920 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.101 -16.916 3.212 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.747 -15.704 4.344 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.806 -16.223 7.938 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.820 -16.769 6.560 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.369 -17.568 6.918 1.00 0.00 H new ATOM 363 N GLN A 33 1.959 -15.977 1.789 1.00 0.00 N ATOM 364 CA GLN A 33 1.765 -16.526 0.453 1.00 0.00 C ATOM 365 C GLN A 33 1.891 -15.440 -0.610 1.00 0.00 C ATOM 366 O GLN A 33 2.306 -15.708 -1.738 1.00 0.00 O ATOM 367 CB GLN A 33 0.396 -17.201 0.351 1.00 0.00 C ATOM 368 CG GLN A 33 0.254 -18.429 1.236 1.00 0.00 C ATOM 369 CD GLN A 33 -0.680 -18.200 2.409 1.00 0.00 C ATOM 370 OE1 GLN A 33 -1.189 -17.096 2.608 1.00 0.00 O ATOM 371 NE2 GLN A 33 -0.911 -19.245 3.196 1.00 0.00 N ATOM 0 H GLN A 33 1.121 -15.978 2.371 1.00 0.00 H new ATOM 0 HA GLN A 33 2.544 -17.268 0.278 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.376 -16.480 0.619 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.218 -17.488 -0.685 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.117 -19.262 0.638 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.236 -18.718 1.610 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.469 -20.142 2.995 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.530 -19.150 4.001 1.00 0.00 H new ATOM 380 N LYS A 34 1.531 -14.214 -0.244 1.00 0.00 N ATOM 381 CA LYS A 34 1.606 -13.088 -1.168 1.00 0.00 C ATOM 382 C LYS A 34 2.026 -11.812 -0.443 1.00 0.00 C ATOM 383 O LYS A 34 1.207 -10.923 -0.210 1.00 0.00 O ATOM 384 CB LYS A 34 0.257 -12.879 -1.858 1.00 0.00 C ATOM 385 CG LYS A 34 0.374 -12.342 -3.275 1.00 0.00 C ATOM 386 CD LYS A 34 -0.943 -11.761 -3.763 1.00 0.00 C ATOM 387 CE LYS A 34 -1.688 -12.742 -4.654 1.00 0.00 C ATOM 388 NZ LYS A 34 -2.477 -13.725 -3.861 1.00 0.00 N ATOM 0 H LYS A 34 1.185 -13.975 0.685 1.00 0.00 H new ATOM 0 HA LYS A 34 2.360 -13.318 -1.921 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.280 -13.827 -1.881 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.342 -12.188 -1.265 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.147 -11.574 -3.311 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.689 -13.143 -3.944 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.566 -11.499 -2.908 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.754 -10.839 -4.313 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.355 -12.194 -5.319 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.975 -13.273 -5.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.643 -14.578 -4.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.950 -13.981 -3.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.390 -13.303 -3.594 1.00 0.00 H new ATOM 402 N PRO A 35 3.315 -11.703 -0.076 1.00 0.00 N ATOM 403 CA PRO A 35 3.839 -10.529 0.625 1.00 0.00 C ATOM 404 C PRO A 35 4.002 -9.325 -0.299 1.00 0.00 C ATOM 405 O PRO A 35 4.398 -9.467 -1.455 1.00 0.00 O ATOM 406 CB PRO A 35 5.203 -11.005 1.128 1.00 0.00 C ATOM 407 CG PRO A 35 5.623 -12.041 0.143 1.00 0.00 C ATOM 408 CD PRO A 35 4.359 -12.719 -0.316 1.00 0.00 C ATOM 0 HA PRO A 35 3.169 -10.190 1.415 1.00 0.00 H new ATOM 0 HB2 PRO A 35 5.919 -10.184 1.170 1.00 0.00 H new ATOM 0 HB3 PRO A 35 5.133 -11.419 2.134 1.00 0.00 H new ATOM 0 HG2 PRO A 35 6.150 -11.589 -0.697 1.00 0.00 H new ATOM 0 HG3 PRO A 35 6.306 -12.758 0.599 1.00 0.00 H new ATOM 0 HD2 PRO A 35 4.413 -12.998 -1.368 1.00 0.00 H new ATOM 0 HD3 PRO A 35 4.167 -13.633 0.247 1.00 0.00 H new ATOM 416 N GLY A 36 3.692 -8.141 0.220 1.00 0.00 N ATOM 417 CA GLY A 36 3.811 -6.930 -0.570 1.00 0.00 C ATOM 418 C GLY A 36 3.288 -5.710 0.159 1.00 0.00 C ATOM 419 O GLY A 36 2.717 -5.824 1.243 1.00 0.00 O ATOM 0 H GLY A 36 3.360 -7.999 1.174 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.857 -6.772 -0.832 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.263 -7.054 -1.504 1.00 0.00 H new ATOM 423 N ILE A 37 3.483 -4.537 -0.435 1.00 0.00 N ATOM 424 CA ILE A 37 3.025 -3.292 0.169 1.00 0.00 C ATOM 425 C ILE A 37 1.609 -2.953 -0.282 1.00 0.00 C ATOM 426 O ILE A 37 1.366 -2.698 -1.461 1.00 0.00 O ATOM 427 CB ILE A 37 3.958 -2.116 -0.180 1.00 0.00 C ATOM 428 CG1 ILE A 37 5.420 -2.516 0.030 1.00 0.00 C ATOM 429 CG2 ILE A 37 3.610 -0.899 0.662 1.00 0.00 C ATOM 430 CD1 ILE A 37 5.720 -2.992 1.435 1.00 0.00 C ATOM 0 H ILE A 37 3.954 -4.423 -1.332 1.00 0.00 H new ATOM 0 HA ILE A 37 3.036 -3.443 1.248 1.00 0.00 H new ATOM 0 HB ILE A 37 3.819 -1.860 -1.230 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.677 -3.306 -0.675 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.058 -1.663 -0.200 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.277 -0.076 0.405 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.579 -0.605 0.467 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.725 -1.143 1.718 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.774 -3.259 1.511 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.495 -2.196 2.145 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.108 -3.865 1.662 1.00 0.00 H new ATOM 442 N PHE A 38 0.678 -2.957 0.666 1.00 0.00 N ATOM 443 CA PHE A 38 -0.718 -2.655 0.369 1.00 0.00 C ATOM 444 C PHE A 38 -1.092 -1.263 0.864 1.00 0.00 C ATOM 445 O PHE A 38 -0.319 -0.611 1.564 1.00 0.00 O ATOM 446 CB PHE A 38 -1.632 -3.705 1.001 1.00 0.00 C ATOM 447 CG PHE A 38 -1.295 -5.111 0.592 1.00 0.00 C ATOM 448 CD1 PHE A 38 -0.084 -5.682 0.954 1.00 0.00 C ATOM 449 CD2 PHE A 38 -2.187 -5.861 -0.157 1.00 0.00 C ATOM 450 CE1 PHE A 38 0.229 -6.972 0.576 1.00 0.00 C ATOM 451 CE2 PHE A 38 -1.879 -7.153 -0.538 1.00 0.00 C ATOM 452 CZ PHE A 38 -0.668 -7.709 -0.170 1.00 0.00 C ATOM 0 H PHE A 38 0.865 -3.166 1.647 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.849 -2.677 -0.713 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.569 -3.625 2.086 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.665 -3.491 0.725 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.622 -5.111 1.538 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.134 -5.431 -0.447 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.176 -7.405 0.864 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.583 -7.727 -1.122 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.424 -8.719 -0.466 1.00 0.00 H new ATOM 462 N ILE A 39 -2.285 -0.814 0.490 1.00 0.00 N ATOM 463 CA ILE A 39 -2.766 0.504 0.888 1.00 0.00 C ATOM 464 C ILE A 39 -3.869 0.394 1.937 1.00 0.00 C ATOM 465 O ILE A 39 -4.764 -0.445 1.832 1.00 0.00 O ATOM 466 CB ILE A 39 -3.291 1.294 -0.330 1.00 0.00 C ATOM 467 CG1 ILE A 39 -2.138 1.642 -1.272 1.00 0.00 C ATOM 468 CG2 ILE A 39 -4.019 2.557 0.112 1.00 0.00 C ATOM 469 CD1 ILE A 39 -1.190 2.682 -0.710 1.00 0.00 C ATOM 0 H ILE A 39 -2.937 -1.344 -0.089 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.920 1.039 1.320 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.003 0.665 -0.865 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.577 0.735 -1.497 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.547 2.006 -2.214 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.379 3.095 -0.765 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.865 2.287 0.744 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.335 3.194 0.673 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.397 2.879 -1.432 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.737 3.603 -0.511 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.753 2.312 0.217 1.00 0.00 H new ATOM 481 N SER A 40 -3.794 1.257 2.942 1.00 0.00 N ATOM 482 CA SER A 40 -4.776 1.281 4.016 1.00 0.00 C ATOM 483 C SER A 40 -5.699 2.486 3.867 1.00 0.00 C ATOM 484 O SER A 40 -5.689 3.161 2.838 1.00 0.00 O ATOM 485 CB SER A 40 -4.076 1.316 5.377 1.00 0.00 C ATOM 486 OG SER A 40 -4.362 0.149 6.128 1.00 0.00 O ATOM 0 H SER A 40 -3.056 1.955 3.035 1.00 0.00 H new ATOM 0 HA SER A 40 -5.376 0.373 3.955 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.999 1.405 5.233 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.397 2.197 5.932 1.00 0.00 H new ATOM 0 HG SER A 40 -4.802 0.400 6.967 1.00 0.00 H new ATOM 492 N HIS A 41 -6.497 2.748 4.897 1.00 0.00 N ATOM 493 CA HIS A 41 -7.431 3.871 4.884 1.00 0.00 C ATOM 494 C HIS A 41 -6.764 5.138 4.349 1.00 0.00 C ATOM 495 O HIS A 41 -5.590 5.395 4.618 1.00 0.00 O ATOM 496 CB HIS A 41 -7.981 4.121 6.291 1.00 0.00 C ATOM 497 CG HIS A 41 -9.474 4.072 6.367 1.00 0.00 C ATOM 498 ND1 HIS A 41 -10.158 3.234 7.223 1.00 0.00 N ATOM 499 CD2 HIS A 41 -10.420 4.765 5.689 1.00 0.00 C ATOM 500 CE1 HIS A 41 -11.458 3.413 7.068 1.00 0.00 C ATOM 501 NE2 HIS A 41 -11.642 4.336 6.144 1.00 0.00 N ATOM 0 H HIS A 41 -6.516 2.196 5.755 1.00 0.00 H new ATOM 0 HA HIS A 41 -8.256 3.614 4.219 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -7.566 3.378 6.972 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -7.640 5.096 6.638 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -10.245 5.515 4.932 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -12.237 2.893 7.606 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -12.547 4.676 5.820 1.00 0.00 H new ATOM 510 N VAL A 42 -7.523 5.921 3.589 1.00 0.00 N ATOM 511 CA VAL A 42 -7.007 7.159 3.013 1.00 0.00 C ATOM 512 C VAL A 42 -7.644 8.376 3.675 1.00 0.00 C ATOM 513 O VAL A 42 -8.728 8.285 4.250 1.00 0.00 O ATOM 514 CB VAL A 42 -7.255 7.226 1.491 1.00 0.00 C ATOM 515 CG1 VAL A 42 -6.290 8.200 0.836 1.00 0.00 C ATOM 516 CG2 VAL A 42 -7.136 5.844 0.862 1.00 0.00 C ATOM 0 H VAL A 42 -8.496 5.721 3.358 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.932 7.167 3.194 1.00 0.00 H new ATOM 0 HB VAL A 42 -8.271 7.586 1.326 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.480 8.234 -0.237 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.431 9.194 1.261 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.266 7.872 1.013 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.315 5.916 -0.211 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.135 5.449 1.038 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -7.873 5.176 1.309 1.00 0.00 H new ATOM 526 N LYS A 43 -6.964 9.516 3.591 1.00 0.00 N ATOM 527 CA LYS A 43 -7.466 10.750 4.184 1.00 0.00 C ATOM 528 C LYS A 43 -7.787 11.785 3.106 1.00 0.00 C ATOM 529 O LYS A 43 -7.106 11.858 2.084 1.00 0.00 O ATOM 530 CB LYS A 43 -6.439 11.319 5.168 1.00 0.00 C ATOM 531 CG LYS A 43 -6.816 11.111 6.625 1.00 0.00 C ATOM 532 CD LYS A 43 -5.682 11.510 7.556 1.00 0.00 C ATOM 533 CE LYS A 43 -4.656 10.397 7.694 1.00 0.00 C ATOM 534 NZ LYS A 43 -3.454 10.643 6.851 1.00 0.00 N ATOM 0 H LYS A 43 -6.065 9.610 3.118 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.386 10.519 4.721 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.472 10.853 4.981 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.320 12.386 4.980 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.704 11.698 6.859 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.072 10.065 6.790 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.196 12.409 7.175 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.086 11.758 8.538 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.355 10.308 8.738 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.110 9.447 7.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.597 10.399 7.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.505 10.055 5.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.419 11.647 6.581 1.00 0.00 H new ATOM 548 N PRO A 44 -8.832 12.601 3.323 1.00 0.00 N ATOM 549 CA PRO A 44 -9.238 13.635 2.365 1.00 0.00 C ATOM 550 C PRO A 44 -8.286 14.826 2.365 1.00 0.00 C ATOM 551 O PRO A 44 -7.509 15.014 3.300 1.00 0.00 O ATOM 552 CB PRO A 44 -10.620 14.054 2.868 1.00 0.00 C ATOM 553 CG PRO A 44 -10.582 13.789 4.334 1.00 0.00 C ATOM 554 CD PRO A 44 -9.700 12.583 4.517 1.00 0.00 C ATOM 0 HA PRO A 44 -9.235 13.269 1.338 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -10.815 15.106 2.660 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.409 13.481 2.382 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -10.185 14.648 4.875 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.583 13.602 4.722 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.118 12.648 5.436 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -10.284 11.664 4.574 1.00 0.00 H new ATOM 562 N GLY A 45 -8.353 15.630 1.307 1.00 0.00 N ATOM 563 CA GLY A 45 -7.490 16.793 1.204 1.00 0.00 C ATOM 564 C GLY A 45 -6.020 16.435 1.313 1.00 0.00 C ATOM 565 O GLY A 45 -5.252 17.129 1.979 1.00 0.00 O ATOM 0 H GLY A 45 -8.989 15.497 0.521 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -7.670 17.292 0.252 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -7.747 17.503 1.990 1.00 0.00 H new ATOM 569 N SER A 46 -5.632 15.345 0.660 1.00 0.00 N ATOM 570 CA SER A 46 -4.246 14.890 0.686 1.00 0.00 C ATOM 571 C SER A 46 -3.780 14.489 -0.710 1.00 0.00 C ATOM 572 O SER A 46 -4.523 14.617 -1.683 1.00 0.00 O ATOM 573 CB SER A 46 -4.102 13.707 1.639 1.00 0.00 C ATOM 574 OG SER A 46 -4.843 13.916 2.830 1.00 0.00 O ATOM 0 H SER A 46 -6.257 14.760 0.106 1.00 0.00 H new ATOM 0 HA SER A 46 -3.623 15.713 1.036 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.446 12.797 1.148 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.050 13.559 1.883 1.00 0.00 H new ATOM 0 HG SER A 46 -5.658 13.373 2.808 1.00 0.00 H new ATOM 580 N LEU A 47 -2.546 14.005 -0.801 1.00 0.00 N ATOM 581 CA LEU A 47 -1.985 13.585 -2.080 1.00 0.00 C ATOM 582 C LEU A 47 -2.648 12.300 -2.561 1.00 0.00 C ATOM 583 O LEU A 47 -3.087 12.207 -3.708 1.00 0.00 O ATOM 584 CB LEU A 47 -0.474 13.375 -1.961 1.00 0.00 C ATOM 585 CG LEU A 47 0.346 14.647 -1.735 1.00 0.00 C ATOM 586 CD1 LEU A 47 -0.024 15.712 -2.757 1.00 0.00 C ATOM 587 CD2 LEU A 47 0.138 15.167 -0.321 1.00 0.00 C ATOM 0 H LEU A 47 -1.916 13.894 -0.006 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.176 14.374 -2.808 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.283 12.688 -1.137 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.118 12.890 -2.870 1.00 0.00 H new ATOM 0 HG LEU A 47 1.401 14.404 -1.862 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.570 16.609 -2.579 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.175 15.338 -3.761 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.083 15.954 -2.664 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.728 16.072 -0.176 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.917 15.393 -0.168 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.454 14.409 0.396 1.00 0.00 H new ATOM 599 N SER A 48 -2.720 11.309 -1.677 1.00 0.00 N ATOM 600 CA SER A 48 -3.332 10.026 -2.009 1.00 0.00 C ATOM 601 C SER A 48 -4.741 10.217 -2.559 1.00 0.00 C ATOM 602 O SER A 48 -5.138 9.560 -3.523 1.00 0.00 O ATOM 603 CB SER A 48 -3.373 9.125 -0.775 1.00 0.00 C ATOM 604 OG SER A 48 -3.317 9.889 0.418 1.00 0.00 O ATOM 0 H SER A 48 -2.362 11.370 -0.724 1.00 0.00 H new ATOM 0 HA SER A 48 -2.724 9.552 -2.780 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.286 8.529 -0.786 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.536 8.427 -0.803 1.00 0.00 H new ATOM 0 HG SER A 48 -4.226 10.120 0.701 1.00 0.00 H new ATOM 610 N ALA A 49 -5.496 11.120 -1.941 1.00 0.00 N ATOM 611 CA ALA A 49 -6.861 11.396 -2.370 1.00 0.00 C ATOM 612 C ALA A 49 -6.877 12.064 -3.741 1.00 0.00 C ATOM 613 O ALA A 49 -7.717 11.751 -4.585 1.00 0.00 O ATOM 614 CB ALA A 49 -7.569 12.270 -1.346 1.00 0.00 C ATOM 0 H ALA A 49 -5.185 11.672 -1.142 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.392 10.447 -2.449 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.588 12.468 -1.679 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.595 11.756 -0.385 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.032 13.213 -1.239 1.00 0.00 H new ATOM 620 N GLU A 50 -5.942 12.983 -3.955 1.00 0.00 N ATOM 621 CA GLU A 50 -5.847 13.695 -5.224 1.00 0.00 C ATOM 622 C GLU A 50 -5.512 12.733 -6.359 1.00 0.00 C ATOM 623 O GLU A 50 -6.013 12.875 -7.474 1.00 0.00 O ATOM 624 CB GLU A 50 -4.784 14.791 -5.136 1.00 0.00 C ATOM 625 CG GLU A 50 -5.327 16.128 -4.662 1.00 0.00 C ATOM 626 CD GLU A 50 -6.166 16.824 -5.715 1.00 0.00 C ATOM 627 OE1 GLU A 50 -6.746 16.123 -6.571 1.00 0.00 O ATOM 628 OE2 GLU A 50 -6.242 18.072 -5.686 1.00 0.00 O ATOM 0 H GLU A 50 -5.239 13.252 -3.266 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.814 14.153 -5.433 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.996 14.467 -4.457 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.326 14.921 -6.117 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.929 15.974 -3.767 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.496 16.774 -4.380 1.00 0.00 H new ATOM 635 N VAL A 51 -4.661 11.755 -6.066 1.00 0.00 N ATOM 636 CA VAL A 51 -4.259 10.768 -7.061 1.00 0.00 C ATOM 637 C VAL A 51 -5.337 9.704 -7.242 1.00 0.00 C ATOM 638 O VAL A 51 -5.563 9.219 -8.351 1.00 0.00 O ATOM 639 CB VAL A 51 -2.937 10.079 -6.671 1.00 0.00 C ATOM 640 CG1 VAL A 51 -1.791 11.079 -6.668 1.00 0.00 C ATOM 641 CG2 VAL A 51 -3.066 9.402 -5.316 1.00 0.00 C ATOM 0 H VAL A 51 -4.237 11.625 -5.148 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.116 11.305 -7.999 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.717 9.313 -7.415 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.867 10.572 -6.390 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.683 11.511 -7.663 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.001 11.871 -5.949 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.122 8.921 -5.058 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.312 10.147 -4.559 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.856 8.652 -5.358 1.00 0.00 H new ATOM 651 N GLY A 52 -5.996 9.343 -6.147 1.00 0.00 N ATOM 652 CA GLY A 52 -7.041 8.338 -6.206 1.00 0.00 C ATOM 653 C GLY A 52 -6.597 7.008 -5.629 1.00 0.00 C ATOM 654 O GLY A 52 -6.414 6.037 -6.364 1.00 0.00 O ATOM 0 H GLY A 52 -5.825 9.729 -5.218 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.915 8.694 -5.660 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.348 8.197 -7.242 1.00 0.00 H new ATOM 658 N LEU A 53 -6.422 6.964 -4.313 1.00 0.00 N ATOM 659 CA LEU A 53 -5.994 5.743 -3.639 1.00 0.00 C ATOM 660 C LEU A 53 -7.069 5.243 -2.680 1.00 0.00 C ATOM 661 O LEU A 53 -7.846 6.029 -2.137 1.00 0.00 O ATOM 662 CB LEU A 53 -4.691 5.985 -2.877 1.00 0.00 C ATOM 663 CG LEU A 53 -3.428 5.994 -3.739 1.00 0.00 C ATOM 664 CD1 LEU A 53 -2.275 6.637 -2.987 1.00 0.00 C ATOM 665 CD2 LEU A 53 -3.066 4.578 -4.166 1.00 0.00 C ATOM 0 H LEU A 53 -6.570 7.759 -3.692 1.00 0.00 H new ATOM 0 HA LEU A 53 -5.827 4.980 -4.400 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.764 6.940 -2.357 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.586 5.214 -2.114 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.624 6.584 -4.634 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.384 6.635 -3.615 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.536 7.664 -2.730 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.077 6.074 -2.075 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.165 4.602 -4.779 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.888 3.966 -3.282 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.886 4.151 -4.743 1.00 0.00 H new ATOM 677 N GLU A 54 -7.106 3.931 -2.473 1.00 0.00 N ATOM 678 CA GLU A 54 -8.084 3.323 -1.579 1.00 0.00 C ATOM 679 C GLU A 54 -7.568 1.997 -1.030 1.00 0.00 C ATOM 680 O GLU A 54 -6.633 1.411 -1.576 1.00 0.00 O ATOM 681 CB GLU A 54 -9.409 3.103 -2.309 1.00 0.00 C ATOM 682 CG GLU A 54 -10.161 4.392 -2.607 1.00 0.00 C ATOM 683 CD GLU A 54 -11.460 4.149 -3.349 1.00 0.00 C ATOM 684 OE1 GLU A 54 -11.407 3.657 -4.496 1.00 0.00 O ATOM 685 OE2 GLU A 54 -12.533 4.450 -2.784 1.00 0.00 O ATOM 0 H GLU A 54 -6.469 3.267 -2.913 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.247 4.004 -0.744 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -9.216 2.580 -3.246 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -10.043 2.453 -1.706 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.372 4.910 -1.671 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.526 5.051 -3.199 1.00 0.00 H new ATOM 692 N ILE A 55 -8.184 1.528 0.050 1.00 0.00 N ATOM 693 CA ILE A 55 -7.788 0.269 0.670 1.00 0.00 C ATOM 694 C ILE A 55 -7.883 -0.883 -0.324 1.00 0.00 C ATOM 695 O ILE A 55 -8.840 -0.979 -1.090 1.00 0.00 O ATOM 696 CB ILE A 55 -8.665 -0.053 1.897 1.00 0.00 C ATOM 697 CG1 ILE A 55 -8.701 1.140 2.855 1.00 0.00 C ATOM 698 CG2 ILE A 55 -8.150 -1.297 2.610 1.00 0.00 C ATOM 699 CD1 ILE A 55 -10.089 1.459 3.368 1.00 0.00 C ATOM 0 H ILE A 55 -8.959 2.001 0.514 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.753 0.385 0.993 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.681 -0.251 1.554 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -8.047 0.935 3.703 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.299 2.017 2.347 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -8.781 -1.509 3.473 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -8.174 -2.145 1.926 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.126 -1.128 2.942 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -10.040 2.315 4.041 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -10.742 1.695 2.528 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -10.486 0.597 3.905 1.00 0.00 H new ATOM 711 N GLY A 56 -6.882 -1.757 -0.305 1.00 0.00 N ATOM 712 CA GLY A 56 -6.874 -2.890 -1.209 1.00 0.00 C ATOM 713 C GLY A 56 -5.814 -2.767 -2.287 1.00 0.00 C ATOM 714 O GLY A 56 -5.296 -3.769 -2.776 1.00 0.00 O ATOM 0 H GLY A 56 -6.078 -1.700 0.320 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -6.704 -3.804 -0.639 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -7.854 -2.984 -1.677 1.00 0.00 H new ATOM 718 N ASP A 57 -5.487 -1.533 -2.655 1.00 0.00 N ATOM 719 CA ASP A 57 -4.478 -1.284 -3.678 1.00 0.00 C ATOM 720 C ASP A 57 -3.147 -1.919 -3.285 1.00 0.00 C ATOM 721 O ASP A 57 -2.947 -2.293 -2.129 1.00 0.00 O ATOM 722 CB ASP A 57 -4.300 0.221 -3.887 1.00 0.00 C ATOM 723 CG ASP A 57 -5.464 0.845 -4.630 1.00 0.00 C ATOM 724 OD1 ASP A 57 -6.521 0.188 -4.740 1.00 0.00 O ATOM 725 OD2 ASP A 57 -5.321 1.992 -5.104 1.00 0.00 O ATOM 0 H ASP A 57 -5.905 -0.690 -2.261 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.815 -1.735 -4.612 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.188 0.708 -2.918 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.380 0.401 -4.443 1.00 0.00 H new ATOM 730 N GLN A 58 -2.240 -2.046 -4.250 1.00 0.00 N ATOM 731 CA GLN A 58 -0.933 -2.642 -3.991 1.00 0.00 C ATOM 732 C GLN A 58 0.149 -1.995 -4.849 1.00 0.00 C ATOM 733 O GLN A 58 0.139 -2.118 -6.074 1.00 0.00 O ATOM 734 CB GLN A 58 -0.978 -4.148 -4.258 1.00 0.00 C ATOM 735 CG GLN A 58 0.127 -4.925 -3.558 1.00 0.00 C ATOM 736 CD GLN A 58 1.102 -5.558 -4.529 1.00 0.00 C ATOM 737 OE1 GLN A 58 0.796 -6.567 -5.165 1.00 0.00 O ATOM 738 NE2 GLN A 58 2.287 -4.969 -4.649 1.00 0.00 N ATOM 0 H GLN A 58 -2.385 -1.746 -5.214 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.686 -2.468 -2.944 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.944 -4.537 -3.936 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.907 -4.320 -5.332 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.669 -4.256 -2.890 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.318 -5.703 -2.938 1.00 0.00 H new ATOM 0 HE21 GLN A 58 2.499 -4.134 -4.103 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.984 -5.352 -5.287 1.00 0.00 H new ATOM 747 N ILE A 59 1.085 -1.308 -4.198 1.00 0.00 N ATOM 748 CA ILE A 59 2.176 -0.647 -4.906 1.00 0.00 C ATOM 749 C ILE A 59 3.136 -1.671 -5.504 1.00 0.00 C ATOM 750 O ILE A 59 3.763 -2.446 -4.780 1.00 0.00 O ATOM 751 CB ILE A 59 2.963 0.294 -3.971 1.00 0.00 C ATOM 752 CG1 ILE A 59 2.002 1.192 -3.186 1.00 0.00 C ATOM 753 CG2 ILE A 59 3.950 1.132 -4.769 1.00 0.00 C ATOM 754 CD1 ILE A 59 1.918 0.847 -1.716 1.00 0.00 C ATOM 0 H ILE A 59 1.109 -1.195 -3.185 1.00 0.00 H new ATOM 0 HA ILE A 59 1.728 -0.059 -5.707 1.00 0.00 H new ATOM 0 HB ILE A 59 3.525 -0.312 -3.260 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.320 2.229 -3.290 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.007 1.118 -3.626 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.497 1.790 -4.094 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.652 0.476 -5.284 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.409 1.731 -5.502 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.220 1.523 -1.223 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.570 -0.180 -1.603 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.903 0.949 -1.262 1.00 0.00 H new ATOM 766 N VAL A 60 3.239 -1.676 -6.828 1.00 0.00 N ATOM 767 CA VAL A 60 4.116 -2.613 -7.523 1.00 0.00 C ATOM 768 C VAL A 60 5.456 -1.972 -7.890 1.00 0.00 C ATOM 769 O VAL A 60 6.312 -2.619 -8.491 1.00 0.00 O ATOM 770 CB VAL A 60 3.450 -3.160 -8.800 1.00 0.00 C ATOM 771 CG1 VAL A 60 2.143 -3.863 -8.462 1.00 0.00 C ATOM 772 CG2 VAL A 60 3.217 -2.044 -9.810 1.00 0.00 C ATOM 0 H VAL A 60 2.727 -1.043 -7.442 1.00 0.00 H new ATOM 0 HA VAL A 60 4.300 -3.436 -6.832 1.00 0.00 H new ATOM 0 HB VAL A 60 4.124 -3.888 -9.251 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.687 -4.243 -9.376 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.341 -4.693 -7.784 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.464 -3.158 -7.984 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.746 -2.454 -10.703 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.567 -1.287 -9.372 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.171 -1.591 -10.079 1.00 0.00 H new ATOM 782 N GLU A 61 5.635 -0.704 -7.529 1.00 0.00 N ATOM 783 CA GLU A 61 6.877 0.003 -7.829 1.00 0.00 C ATOM 784 C GLU A 61 6.875 1.401 -7.219 1.00 0.00 C ATOM 785 O GLU A 61 5.820 1.953 -6.908 1.00 0.00 O ATOM 786 CB GLU A 61 7.080 0.096 -9.342 1.00 0.00 C ATOM 787 CG GLU A 61 8.538 -0.003 -9.764 1.00 0.00 C ATOM 788 CD GLU A 61 8.746 0.352 -11.225 1.00 0.00 C ATOM 789 OE1 GLU A 61 8.845 1.558 -11.534 1.00 0.00 O ATOM 790 OE2 GLU A 61 8.812 -0.576 -12.057 1.00 0.00 O ATOM 0 H GLU A 61 4.940 -0.148 -7.031 1.00 0.00 H new ATOM 0 HA GLU A 61 7.700 -0.561 -7.390 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.515 -0.700 -9.826 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.670 1.041 -9.699 1.00 0.00 H new ATOM 0 HG2 GLU A 61 9.138 0.662 -9.143 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.897 -1.017 -9.585 1.00 0.00 H new ATOM 797 N VAL A 62 8.066 1.970 -7.054 1.00 0.00 N ATOM 798 CA VAL A 62 8.206 3.304 -6.485 1.00 0.00 C ATOM 799 C VAL A 62 9.505 3.963 -6.940 1.00 0.00 C ATOM 800 O VAL A 62 10.584 3.642 -6.443 1.00 0.00 O ATOM 801 CB VAL A 62 8.170 3.263 -4.941 1.00 0.00 C ATOM 802 CG1 VAL A 62 8.316 4.664 -4.358 1.00 0.00 C ATOM 803 CG2 VAL A 62 6.885 2.608 -4.458 1.00 0.00 C ATOM 0 H VAL A 62 8.949 1.526 -7.307 1.00 0.00 H new ATOM 0 HA VAL A 62 7.362 3.893 -6.843 1.00 0.00 H new ATOM 0 HB VAL A 62 9.013 2.665 -4.593 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.288 4.610 -3.270 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.266 5.093 -4.676 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.498 5.292 -4.711 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.875 2.587 -3.368 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.028 3.178 -4.818 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.830 1.589 -4.841 1.00 0.00 H new ATOM 813 N ASN A 63 9.393 4.886 -7.889 1.00 0.00 N ATOM 814 CA ASN A 63 10.557 5.592 -8.414 1.00 0.00 C ATOM 815 C ASN A 63 11.516 4.633 -9.119 1.00 0.00 C ATOM 816 O ASN A 63 12.679 4.964 -9.351 1.00 0.00 O ATOM 817 CB ASN A 63 11.286 6.326 -7.286 1.00 0.00 C ATOM 818 CG ASN A 63 11.381 7.819 -7.534 1.00 0.00 C ATOM 819 OD1 ASN A 63 11.255 8.281 -8.668 1.00 0.00 O ATOM 820 ND2 ASN A 63 11.606 8.583 -6.471 1.00 0.00 N ATOM 0 H ASN A 63 8.507 5.163 -8.311 1.00 0.00 H new ATOM 0 HA ASN A 63 10.205 6.319 -9.146 1.00 0.00 H new ATOM 0 HB2 ASN A 63 10.765 6.149 -6.345 1.00 0.00 H new ATOM 0 HB3 ASN A 63 12.289 5.914 -7.177 1.00 0.00 H new ATOM 0 HD21 ASN A 63 11.681 9.595 -6.577 1.00 0.00 H new ATOM 0 HD22 ASN A 63 11.704 8.158 -5.549 1.00 0.00 H new ATOM 827 N GLY A 64 11.024 3.445 -9.463 1.00 0.00 N ATOM 828 CA GLY A 64 11.856 2.466 -10.138 1.00 0.00 C ATOM 829 C GLY A 64 12.108 1.232 -9.293 1.00 0.00 C ATOM 830 O GLY A 64 12.337 0.145 -9.825 1.00 0.00 O ATOM 0 H GLY A 64 10.065 3.144 -9.286 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.378 2.171 -11.072 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.810 2.924 -10.399 1.00 0.00 H new ATOM 834 N VAL A 65 12.067 1.399 -7.977 1.00 0.00 N ATOM 835 CA VAL A 65 12.295 0.289 -7.060 1.00 0.00 C ATOM 836 C VAL A 65 11.198 -0.765 -7.185 1.00 0.00 C ATOM 837 O VAL A 65 10.012 -0.437 -7.224 1.00 0.00 O ATOM 838 CB VAL A 65 12.369 0.774 -5.597 1.00 0.00 C ATOM 839 CG1 VAL A 65 11.018 1.297 -5.130 1.00 0.00 C ATOM 840 CG2 VAL A 65 12.859 -0.343 -4.688 1.00 0.00 C ATOM 0 H VAL A 65 11.878 2.292 -7.521 1.00 0.00 H new ATOM 0 HA VAL A 65 13.251 -0.156 -7.334 1.00 0.00 H new ATOM 0 HB VAL A 65 13.084 1.595 -5.546 1.00 0.00 H new ATOM 0 HG11 VAL A 65 11.096 1.633 -4.096 1.00 0.00 H new ATOM 0 HG12 VAL A 65 10.713 2.132 -5.761 1.00 0.00 H new ATOM 0 HG13 VAL A 65 10.276 0.501 -5.198 1.00 0.00 H new ATOM 0 HG21 VAL A 65 12.905 0.018 -3.660 1.00 0.00 H new ATOM 0 HG22 VAL A 65 12.172 -1.187 -4.746 1.00 0.00 H new ATOM 0 HG23 VAL A 65 13.852 -0.661 -5.005 1.00 0.00 H new ATOM 850 N ASP A 66 11.602 -2.029 -7.246 1.00 0.00 N ATOM 851 CA ASP A 66 10.652 -3.128 -7.365 1.00 0.00 C ATOM 852 C ASP A 66 9.996 -3.426 -6.021 1.00 0.00 C ATOM 853 O ASP A 66 10.677 -3.726 -5.040 1.00 0.00 O ATOM 854 CB ASP A 66 11.352 -4.381 -7.893 1.00 0.00 C ATOM 855 CG ASP A 66 11.264 -4.501 -9.402 1.00 0.00 C ATOM 856 OD1 ASP A 66 12.094 -3.879 -10.097 1.00 0.00 O ATOM 857 OD2 ASP A 66 10.364 -5.216 -9.889 1.00 0.00 O ATOM 0 H ASP A 66 12.580 -2.317 -7.215 1.00 0.00 H new ATOM 0 HA ASP A 66 9.876 -2.830 -8.070 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.400 -4.362 -7.593 1.00 0.00 H new ATOM 0 HB3 ASP A 66 10.906 -5.263 -7.435 1.00 0.00 H new ATOM 862 N PHE A 67 8.669 -3.340 -5.983 1.00 0.00 N ATOM 863 CA PHE A 67 7.922 -3.599 -4.757 1.00 0.00 C ATOM 864 C PHE A 67 7.437 -5.046 -4.700 1.00 0.00 C ATOM 865 O PHE A 67 6.520 -5.372 -3.948 1.00 0.00 O ATOM 866 CB PHE A 67 6.730 -2.644 -4.654 1.00 0.00 C ATOM 867 CG PHE A 67 6.967 -1.479 -3.736 1.00 0.00 C ATOM 868 CD1 PHE A 67 8.183 -0.811 -3.739 1.00 0.00 C ATOM 869 CD2 PHE A 67 5.975 -1.052 -2.868 1.00 0.00 C ATOM 870 CE1 PHE A 67 8.401 0.261 -2.895 1.00 0.00 C ATOM 871 CE2 PHE A 67 6.188 0.020 -2.021 1.00 0.00 C ATOM 872 CZ PHE A 67 7.403 0.678 -2.036 1.00 0.00 C ATOM 0 H PHE A 67 8.090 -3.093 -6.786 1.00 0.00 H new ATOM 0 HA PHE A 67 8.592 -3.431 -3.913 1.00 0.00 H new ATOM 0 HB2 PHE A 67 6.490 -2.268 -5.649 1.00 0.00 H new ATOM 0 HB3 PHE A 67 5.860 -3.200 -4.304 1.00 0.00 H new ATOM 0 HD1 PHE A 67 8.967 -1.132 -4.408 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.024 -1.563 -2.853 1.00 0.00 H new ATOM 0 HE1 PHE A 67 9.352 0.773 -2.907 1.00 0.00 H new ATOM 0 HE2 PHE A 67 5.406 0.342 -1.349 1.00 0.00 H new ATOM 0 HZ PHE A 67 7.572 1.517 -1.377 1.00 0.00 H new ATOM 882 N SER A 68 8.057 -5.911 -5.498 1.00 0.00 N ATOM 883 CA SER A 68 7.684 -7.320 -5.531 1.00 0.00 C ATOM 884 C SER A 68 8.206 -8.047 -4.296 1.00 0.00 C ATOM 885 O SER A 68 7.439 -8.652 -3.547 1.00 0.00 O ATOM 886 CB SER A 68 8.225 -7.986 -6.798 1.00 0.00 C ATOM 887 OG SER A 68 9.565 -7.599 -7.044 1.00 0.00 O ATOM 0 H SER A 68 8.818 -5.661 -6.129 1.00 0.00 H new ATOM 0 HA SER A 68 6.596 -7.382 -5.536 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.169 -9.070 -6.695 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.602 -7.714 -7.650 1.00 0.00 H new ATOM 0 HG SER A 68 9.888 -8.039 -7.858 1.00 0.00 H new ATOM 893 N ASN A 69 9.516 -7.981 -4.088 1.00 0.00 N ATOM 894 CA ASN A 69 10.143 -8.630 -2.942 1.00 0.00 C ATOM 895 C ASN A 69 10.575 -7.601 -1.902 1.00 0.00 C ATOM 896 O ASN A 69 11.510 -7.833 -1.136 1.00 0.00 O ATOM 897 CB ASN A 69 11.350 -9.455 -3.393 1.00 0.00 C ATOM 898 CG ASN A 69 12.296 -8.662 -4.271 1.00 0.00 C ATOM 899 OD1 ASN A 69 12.228 -8.729 -5.499 1.00 0.00 O ATOM 900 ND2 ASN A 69 13.192 -7.908 -3.643 1.00 0.00 N ATOM 0 H ASN A 69 10.165 -7.484 -4.698 1.00 0.00 H new ATOM 0 HA ASN A 69 9.408 -9.294 -2.486 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.888 -9.815 -2.516 1.00 0.00 H new ATOM 0 HB3 ASN A 69 11.003 -10.333 -3.938 1.00 0.00 H new ATOM 0 HD21 ASN A 69 13.859 -7.355 -4.180 1.00 0.00 H new ATOM 0 HD22 ASN A 69 13.212 -7.883 -2.624 1.00 0.00 H new ATOM 907 N LEU A 70 9.888 -6.461 -1.882 1.00 0.00 N ATOM 908 CA LEU A 70 10.200 -5.396 -0.935 1.00 0.00 C ATOM 909 C LEU A 70 9.457 -5.603 0.381 1.00 0.00 C ATOM 910 O LEU A 70 8.367 -6.174 0.405 1.00 0.00 O ATOM 911 CB LEU A 70 9.840 -4.034 -1.530 1.00 0.00 C ATOM 912 CG LEU A 70 10.420 -2.826 -0.786 1.00 0.00 C ATOM 913 CD1 LEU A 70 11.494 -2.145 -1.621 1.00 0.00 C ATOM 914 CD2 LEU A 70 9.319 -1.838 -0.425 1.00 0.00 C ATOM 0 H LEU A 70 9.112 -6.252 -2.511 1.00 0.00 H new ATOM 0 HA LEU A 70 11.271 -5.424 -0.734 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.184 -4.004 -2.564 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.754 -3.940 -1.553 1.00 0.00 H new ATOM 0 HG LEU A 70 10.878 -3.183 0.137 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.892 -1.290 -1.074 1.00 0.00 H new ATOM 0 HD12 LEU A 70 12.298 -2.852 -1.826 1.00 0.00 H new ATOM 0 HD13 LEU A 70 11.062 -1.805 -2.562 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.752 -0.988 0.102 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.830 -1.490 -1.335 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.586 -2.328 0.216 1.00 0.00 H new ATOM 926 N ASP A 71 10.054 -5.136 1.471 1.00 0.00 N ATOM 927 CA ASP A 71 9.447 -5.270 2.789 1.00 0.00 C ATOM 928 C ASP A 71 8.667 -4.012 3.160 1.00 0.00 C ATOM 929 O ASP A 71 8.786 -2.979 2.500 1.00 0.00 O ATOM 930 CB ASP A 71 10.522 -5.549 3.842 1.00 0.00 C ATOM 931 CG ASP A 71 10.157 -6.709 4.747 1.00 0.00 C ATOM 932 OD1 ASP A 71 9.225 -6.554 5.565 1.00 0.00 O ATOM 933 OD2 ASP A 71 10.802 -7.773 4.638 1.00 0.00 O ATOM 0 H ASP A 71 10.957 -4.662 1.468 1.00 0.00 H new ATOM 0 HA ASP A 71 8.752 -6.109 2.758 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.467 -5.764 3.344 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.676 -4.655 4.446 1.00 0.00 H new ATOM 938 N HIS A 72 7.868 -4.104 4.219 1.00 0.00 N ATOM 939 CA HIS A 72 7.070 -2.972 4.674 1.00 0.00 C ATOM 940 C HIS A 72 7.958 -1.779 5.012 1.00 0.00 C ATOM 941 O HIS A 72 7.749 -0.677 4.506 1.00 0.00 O ATOM 942 CB HIS A 72 6.238 -3.365 5.897 1.00 0.00 C ATOM 943 CG HIS A 72 5.166 -2.375 6.235 1.00 0.00 C ATOM 944 ND1 HIS A 72 3.835 -2.542 6.425 1.00 0.00 N flip ATOM 945 CD2 HIS A 72 5.411 -1.030 6.411 1.00 0.00 C flip ATOM 946 CE1 HIS A 72 3.307 -1.306 6.709 1.00 0.00 C flip ATOM 947 NE2 HIS A 72 4.279 -0.412 6.695 1.00 0.00 N flip ATOM 0 H HIS A 72 7.757 -4.950 4.777 1.00 0.00 H new ATOM 0 HA HIS A 72 6.400 -2.685 3.864 1.00 0.00 H new ATOM 0 HB2 HIS A 72 5.780 -4.337 5.717 1.00 0.00 H new ATOM 0 HB3 HIS A 72 6.900 -3.479 6.755 1.00 0.00 H new ATOM 0 HD1 HIS A 72 3.321 -3.421 6.368 1.00 0.00 H new ATOM 0 HD2 HIS A 72 6.378 -0.556 6.329 1.00 0.00 H new ATOM 0 HE1 HIS A 72 2.266 -1.099 6.911 1.00 0.00 H new ATOM 956 N LYS A 73 8.946 -2.007 5.869 1.00 0.00 N ATOM 957 CA LYS A 73 9.865 -0.950 6.277 1.00 0.00 C ATOM 958 C LYS A 73 10.513 -0.291 5.063 1.00 0.00 C ATOM 959 O LYS A 73 10.655 0.930 5.008 1.00 0.00 O ATOM 960 CB LYS A 73 10.942 -1.512 7.206 1.00 0.00 C ATOM 961 CG LYS A 73 10.384 -2.169 8.456 1.00 0.00 C ATOM 962 CD LYS A 73 11.493 -2.629 9.388 1.00 0.00 C ATOM 963 CE LYS A 73 11.011 -3.720 10.330 1.00 0.00 C ATOM 964 NZ LYS A 73 10.566 -4.934 9.593 1.00 0.00 N ATOM 0 H LYS A 73 9.132 -2.915 6.295 1.00 0.00 H new ATOM 0 HA LYS A 73 9.293 -0.193 6.813 1.00 0.00 H new ATOM 0 HB2 LYS A 73 11.538 -2.241 6.658 1.00 0.00 H new ATOM 0 HB3 LYS A 73 11.614 -0.706 7.499 1.00 0.00 H new ATOM 0 HG2 LYS A 73 9.736 -1.466 8.979 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.767 -3.022 8.175 1.00 0.00 H new ATOM 0 HD2 LYS A 73 12.333 -2.999 8.801 1.00 0.00 H new ATOM 0 HD3 LYS A 73 11.858 -1.781 9.968 1.00 0.00 H new ATOM 0 HE2 LYS A 73 11.814 -3.987 11.017 1.00 0.00 H new ATOM 0 HE3 LYS A 73 10.187 -3.340 10.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 10.682 -5.771 10.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 9.565 -4.833 9.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 11.140 -5.048 8.733 1.00 0.00 H new ATOM 978 N GLU A 74 10.904 -1.109 4.091 1.00 0.00 N ATOM 979 CA GLU A 74 11.534 -0.606 2.877 1.00 0.00 C ATOM 980 C GLU A 74 10.605 0.355 2.142 1.00 0.00 C ATOM 981 O GLU A 74 11.035 1.402 1.659 1.00 0.00 O ATOM 982 CB GLU A 74 11.917 -1.768 1.958 1.00 0.00 C ATOM 983 CG GLU A 74 13.345 -2.253 2.151 1.00 0.00 C ATOM 984 CD GLU A 74 13.851 -3.057 0.969 1.00 0.00 C ATOM 985 OE1 GLU A 74 14.181 -2.446 -0.068 1.00 0.00 O ATOM 986 OE2 GLU A 74 13.916 -4.300 1.083 1.00 0.00 O ATOM 0 H GLU A 74 10.795 -2.123 4.121 1.00 0.00 H new ATOM 0 HA GLU A 74 12.436 -0.065 3.161 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.233 -2.599 2.133 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.784 -1.459 0.921 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.998 -1.395 2.309 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.399 -2.864 3.052 1.00 0.00 H new ATOM 993 N ALA A 75 9.329 -0.009 2.064 1.00 0.00 N ATOM 994 CA ALA A 75 8.338 0.819 1.388 1.00 0.00 C ATOM 995 C ALA A 75 8.176 2.165 2.088 1.00 0.00 C ATOM 996 O ALA A 75 8.154 3.211 1.444 1.00 0.00 O ATOM 997 CB ALA A 75 7.003 0.094 1.324 1.00 0.00 C ATOM 0 H ALA A 75 8.957 -0.872 2.461 1.00 0.00 H new ATOM 0 HA ALA A 75 8.689 1.007 0.373 1.00 0.00 H new ATOM 0 HB1 ALA A 75 6.271 0.723 0.817 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.122 -0.840 0.774 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.657 -0.122 2.335 1.00 0.00 H new ATOM 1003 N VAL A 76 8.065 2.128 3.410 1.00 0.00 N ATOM 1004 CA VAL A 76 7.907 3.347 4.193 1.00 0.00 C ATOM 1005 C VAL A 76 9.183 4.183 4.165 1.00 0.00 C ATOM 1006 O VAL A 76 9.130 5.411 4.132 1.00 0.00 O ATOM 1007 CB VAL A 76 7.543 3.033 5.658 1.00 0.00 C ATOM 1008 CG1 VAL A 76 7.266 4.314 6.430 1.00 0.00 C ATOM 1009 CG2 VAL A 76 6.344 2.097 5.719 1.00 0.00 C ATOM 0 H VAL A 76 8.081 1.270 3.961 1.00 0.00 H new ATOM 0 HA VAL A 76 7.093 3.912 3.740 1.00 0.00 H new ATOM 0 HB VAL A 76 8.393 2.534 6.124 1.00 0.00 H new ATOM 0 HG11 VAL A 76 7.011 4.069 7.461 1.00 0.00 H new ATOM 0 HG12 VAL A 76 8.154 4.947 6.416 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.434 4.845 5.967 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.100 1.885 6.760 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.489 2.569 5.235 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.583 1.166 5.206 1.00 0.00 H new ATOM 1019 N ASN A 77 10.328 3.508 4.182 1.00 0.00 N ATOM 1020 CA ASN A 77 11.618 4.190 4.160 1.00 0.00 C ATOM 1021 C ASN A 77 11.785 5.016 2.887 1.00 0.00 C ATOM 1022 O ASN A 77 11.986 6.229 2.950 1.00 0.00 O ATOM 1023 CB ASN A 77 12.757 3.177 4.277 1.00 0.00 C ATOM 1024 CG ASN A 77 13.953 3.734 5.024 1.00 0.00 C ATOM 1025 OD1 ASN A 77 14.330 3.228 6.081 1.00 0.00 O ATOM 1026 ND2 ASN A 77 14.555 4.785 4.479 1.00 0.00 N ATOM 0 H ASN A 77 10.389 2.490 4.211 1.00 0.00 H new ATOM 0 HA ASN A 77 11.652 4.867 5.013 1.00 0.00 H new ATOM 0 HB2 ASN A 77 12.395 2.286 4.789 1.00 0.00 H new ATOM 0 HB3 ASN A 77 13.068 2.867 3.279 1.00 0.00 H new ATOM 0 HD21 ASN A 77 15.363 5.205 4.938 1.00 0.00 H new ATOM 0 HD22 ASN A 77 14.209 5.172 3.601 1.00 0.00 H new ATOM 1033 N VAL A 78 11.712 4.355 1.736 1.00 0.00 N ATOM 1034 CA VAL A 78 11.863 5.042 0.458 1.00 0.00 C ATOM 1035 C VAL A 78 10.829 6.153 0.300 1.00 0.00 C ATOM 1036 O VAL A 78 11.142 7.238 -0.191 1.00 0.00 O ATOM 1037 CB VAL A 78 11.747 4.063 -0.729 1.00 0.00 C ATOM 1038 CG1 VAL A 78 12.840 3.008 -0.660 1.00 0.00 C ATOM 1039 CG2 VAL A 78 10.375 3.411 -0.763 1.00 0.00 C ATOM 0 H VAL A 78 11.550 3.351 1.662 1.00 0.00 H new ATOM 0 HA VAL A 78 12.860 5.482 0.454 1.00 0.00 H new ATOM 0 HB VAL A 78 11.874 4.631 -1.651 1.00 0.00 H new ATOM 0 HG11 VAL A 78 12.742 2.327 -1.505 1.00 0.00 H new ATOM 0 HG12 VAL A 78 13.816 3.492 -0.696 1.00 0.00 H new ATOM 0 HG13 VAL A 78 12.747 2.448 0.270 1.00 0.00 H new ATOM 0 HG21 VAL A 78 10.319 2.726 -1.609 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.211 2.859 0.163 1.00 0.00 H new ATOM 0 HG23 VAL A 78 9.609 4.180 -0.868 1.00 0.00 H new ATOM 1049 N LEU A 79 9.599 5.881 0.727 1.00 0.00 N ATOM 1050 CA LEU A 79 8.527 6.867 0.638 1.00 0.00 C ATOM 1051 C LEU A 79 8.806 8.050 1.560 1.00 0.00 C ATOM 1052 O LEU A 79 8.434 9.185 1.264 1.00 0.00 O ATOM 1053 CB LEU A 79 7.182 6.228 0.996 1.00 0.00 C ATOM 1054 CG LEU A 79 6.387 5.670 -0.189 1.00 0.00 C ATOM 1055 CD1 LEU A 79 6.218 6.728 -1.268 1.00 0.00 C ATOM 1056 CD2 LEU A 79 7.071 4.434 -0.753 1.00 0.00 C ATOM 0 H LEU A 79 9.321 4.989 1.137 1.00 0.00 H new ATOM 0 HA LEU A 79 8.482 7.230 -0.389 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.360 5.420 1.706 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.569 6.971 1.506 1.00 0.00 H new ATOM 0 HG LEU A 79 5.397 5.384 0.166 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.651 6.311 -2.100 1.00 0.00 H new ATOM 0 HD12 LEU A 79 5.683 7.584 -0.857 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.199 7.048 -1.621 1.00 0.00 H new ATOM 0 HD21 LEU A 79 6.493 4.050 -1.594 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.074 4.695 -1.091 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.137 3.669 0.021 1.00 0.00 H new ATOM 1068 N LYS A 80 9.468 7.773 2.681 1.00 0.00 N ATOM 1069 CA LYS A 80 9.803 8.811 3.649 1.00 0.00 C ATOM 1070 C LYS A 80 11.032 9.597 3.200 1.00 0.00 C ATOM 1071 O LYS A 80 11.126 10.804 3.421 1.00 0.00 O ATOM 1072 CB LYS A 80 10.060 8.190 5.025 1.00 0.00 C ATOM 1073 CG LYS A 80 8.906 8.358 5.999 1.00 0.00 C ATOM 1074 CD LYS A 80 7.608 7.804 5.434 1.00 0.00 C ATOM 1075 CE LYS A 80 6.458 7.963 6.416 1.00 0.00 C ATOM 1076 NZ LYS A 80 5.528 9.053 6.012 1.00 0.00 N ATOM 0 H LYS A 80 9.782 6.838 2.940 1.00 0.00 H new ATOM 0 HA LYS A 80 8.958 9.496 3.717 1.00 0.00 H new ATOM 0 HB2 LYS A 80 10.266 7.127 4.901 1.00 0.00 H new ATOM 0 HB3 LYS A 80 10.955 8.640 5.455 1.00 0.00 H new ATOM 0 HG2 LYS A 80 9.142 7.850 6.934 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.779 9.415 6.234 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.367 8.318 4.504 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.737 6.749 5.191 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.908 7.024 6.486 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.855 8.174 7.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.759 9.128 6.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.046 9.954 5.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.129 8.839 5.076 1.00 0.00 H new ATOM 1090 N SER A 81 11.974 8.898 2.575 1.00 0.00 N ATOM 1091 CA SER A 81 13.204 9.521 2.097 1.00 0.00 C ATOM 1092 C SER A 81 12.908 10.605 1.067 1.00 0.00 C ATOM 1093 O SER A 81 13.303 11.760 1.238 1.00 0.00 O ATOM 1094 CB SER A 81 14.129 8.464 1.493 1.00 0.00 C ATOM 1095 OG SER A 81 15.409 9.006 1.219 1.00 0.00 O ATOM 0 H SER A 81 11.909 7.898 2.387 1.00 0.00 H new ATOM 0 HA SER A 81 13.699 9.988 2.949 1.00 0.00 H new ATOM 0 HB2 SER A 81 14.226 7.624 2.181 1.00 0.00 H new ATOM 0 HB3 SER A 81 13.691 8.074 0.574 1.00 0.00 H new ATOM 0 HG SER A 81 15.983 8.311 0.835 1.00 0.00 H new ATOM 1101 N SER A 82 12.220 10.230 -0.005 1.00 0.00 N ATOM 1102 CA SER A 82 11.881 11.173 -1.064 1.00 0.00 C ATOM 1103 C SER A 82 10.450 11.681 -0.915 1.00 0.00 C ATOM 1104 O SER A 82 9.552 10.931 -0.532 1.00 0.00 O ATOM 1105 CB SER A 82 12.064 10.519 -2.436 1.00 0.00 C ATOM 1106 OG SER A 82 12.910 11.299 -3.264 1.00 0.00 O ATOM 0 H SER A 82 11.886 9.279 -0.164 1.00 0.00 H new ATOM 0 HA SER A 82 12.555 12.026 -0.981 1.00 0.00 H new ATOM 0 HB2 SER A 82 12.488 9.522 -2.314 1.00 0.00 H new ATOM 0 HB3 SER A 82 11.093 10.396 -2.916 1.00 0.00 H new ATOM 0 HG SER A 82 13.012 10.859 -4.134 1.00 0.00 H new ATOM 1112 N ARG A 83 10.247 12.957 -1.226 1.00 0.00 N ATOM 1113 CA ARG A 83 8.927 13.568 -1.134 1.00 0.00 C ATOM 1114 C ARG A 83 8.187 13.444 -2.462 1.00 0.00 C ATOM 1115 O ARG A 83 7.031 13.024 -2.506 1.00 0.00 O ATOM 1116 CB ARG A 83 9.047 15.039 -0.734 1.00 0.00 C ATOM 1117 CG ARG A 83 8.932 15.276 0.763 1.00 0.00 C ATOM 1118 CD ARG A 83 10.089 16.113 1.289 1.00 0.00 C ATOM 1119 NE ARG A 83 9.786 16.712 2.588 1.00 0.00 N ATOM 1120 CZ ARG A 83 9.043 17.805 2.746 1.00 0.00 C ATOM 1121 NH1 ARG A 83 8.526 18.422 1.690 1.00 0.00 N ATOM 1122 NH2 ARG A 83 8.818 18.283 3.961 1.00 0.00 N ATOM 0 H ARG A 83 10.982 13.589 -1.545 1.00 0.00 H new ATOM 0 HA ARG A 83 8.358 13.042 -0.368 1.00 0.00 H new ATOM 0 HB2 ARG A 83 10.006 15.424 -1.081 1.00 0.00 H new ATOM 0 HB3 ARG A 83 8.271 15.610 -1.244 1.00 0.00 H new ATOM 0 HG2 ARG A 83 7.990 15.779 0.981 1.00 0.00 H new ATOM 0 HG3 ARG A 83 8.909 14.318 1.283 1.00 0.00 H new ATOM 0 HD2 ARG A 83 10.978 15.488 1.376 1.00 0.00 H new ATOM 0 HD3 ARG A 83 10.322 16.900 0.572 1.00 0.00 H new ATOM 0 HE ARG A 83 10.167 16.266 3.423 1.00 0.00 H new ATOM 0 HH11 ARG A 83 8.698 18.059 0.752 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.957 19.259 1.816 1.00 0.00 H new ATOM 0 HH21 ARG A 83 9.214 17.813 4.775 1.00 0.00 H new ATOM 0 HH22 ARG A 83 8.249 19.121 4.082 1.00 0.00 H new ATOM 1136 N SER A 84 8.866 13.811 -3.543 1.00 0.00 N ATOM 1137 CA SER A 84 8.282 13.739 -4.877 1.00 0.00 C ATOM 1138 C SER A 84 8.729 12.464 -5.588 1.00 0.00 C ATOM 1139 O SER A 84 9.668 12.483 -6.384 1.00 0.00 O ATOM 1140 CB SER A 84 8.681 14.965 -5.701 1.00 0.00 C ATOM 1141 OG SER A 84 8.321 14.805 -7.061 1.00 0.00 O ATOM 0 H SER A 84 9.823 14.162 -3.521 1.00 0.00 H new ATOM 0 HA SER A 84 7.197 13.721 -4.775 1.00 0.00 H new ATOM 0 HB2 SER A 84 8.196 15.853 -5.295 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.756 15.125 -5.623 1.00 0.00 H new ATOM 0 HG SER A 84 8.585 15.603 -7.565 1.00 0.00 H new ATOM 1147 N LEU A 85 8.056 11.359 -5.288 1.00 0.00 N ATOM 1148 CA LEU A 85 8.390 10.073 -5.892 1.00 0.00 C ATOM 1149 C LEU A 85 7.206 9.499 -6.661 1.00 0.00 C ATOM 1150 O LEU A 85 6.068 9.540 -6.193 1.00 0.00 O ATOM 1151 CB LEU A 85 8.841 9.074 -4.818 1.00 0.00 C ATOM 1152 CG LEU A 85 8.437 9.424 -3.383 1.00 0.00 C ATOM 1153 CD1 LEU A 85 6.940 9.240 -3.192 1.00 0.00 C ATOM 1154 CD2 LEU A 85 9.211 8.571 -2.390 1.00 0.00 C ATOM 0 H LEU A 85 7.276 11.327 -4.631 1.00 0.00 H new ATOM 0 HA LEU A 85 9.208 10.241 -6.592 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.432 8.094 -5.063 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.927 8.987 -4.861 1.00 0.00 H new ATOM 0 HG LEU A 85 8.681 10.471 -3.201 1.00 0.00 H new ATOM 0 HD11 LEU A 85 6.670 9.493 -2.167 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.403 9.892 -3.880 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.673 8.202 -3.392 1.00 0.00 H new ATOM 0 HD21 LEU A 85 8.912 8.832 -1.375 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.997 7.518 -2.571 1.00 0.00 H new ATOM 0 HD23 LEU A 85 10.279 8.751 -2.511 1.00 0.00 H new ATOM 1166 N THR A 86 7.486 8.948 -7.838 1.00 0.00 N ATOM 1167 CA THR A 86 6.450 8.346 -8.666 1.00 0.00 C ATOM 1168 C THR A 86 6.230 6.896 -8.251 1.00 0.00 C ATOM 1169 O THR A 86 7.136 6.069 -8.350 1.00 0.00 O ATOM 1170 CB THR A 86 6.837 8.416 -10.145 1.00 0.00 C ATOM 1171 OG1 THR A 86 7.224 9.732 -10.499 1.00 0.00 O ATOM 1172 CG2 THR A 86 5.719 8.000 -11.076 1.00 0.00 C ATOM 0 H THR A 86 8.423 8.907 -8.239 1.00 0.00 H new ATOM 0 HA THR A 86 5.523 8.902 -8.524 1.00 0.00 H new ATOM 0 HB THR A 86 7.664 7.716 -10.262 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.469 9.757 -11.447 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.060 8.073 -12.109 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.430 6.971 -10.861 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.861 8.656 -10.930 1.00 0.00 H new ATOM 1180 N ILE A 87 5.029 6.594 -7.773 1.00 0.00 N ATOM 1181 CA ILE A 87 4.706 5.245 -7.329 1.00 0.00 C ATOM 1182 C ILE A 87 3.716 4.563 -8.266 1.00 0.00 C ATOM 1183 O ILE A 87 2.696 5.143 -8.641 1.00 0.00 O ATOM 1184 CB ILE A 87 4.129 5.247 -5.899 1.00 0.00 C ATOM 1185 CG1 ILE A 87 3.053 6.328 -5.759 1.00 0.00 C ATOM 1186 CG2 ILE A 87 5.239 5.459 -4.878 1.00 0.00 C ATOM 1187 CD1 ILE A 87 2.475 6.432 -4.366 1.00 0.00 C ATOM 0 H ILE A 87 4.265 7.264 -7.683 1.00 0.00 H new ATOM 0 HA ILE A 87 5.641 4.685 -7.338 1.00 0.00 H new ATOM 0 HB ILE A 87 3.669 4.277 -5.709 1.00 0.00 H new ATOM 0 HG12 ILE A 87 3.479 7.291 -6.039 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.247 6.120 -6.463 1.00 0.00 H new ATOM 0 HG21 ILE A 87 4.815 5.458 -3.874 1.00 0.00 H new ATOM 0 HG22 ILE A 87 5.971 4.656 -4.964 1.00 0.00 H new ATOM 0 HG23 ILE A 87 5.727 6.416 -5.065 1.00 0.00 H new ATOM 0 HD11 ILE A 87 1.720 7.218 -4.343 1.00 0.00 H new ATOM 0 HD12 ILE A 87 2.018 5.482 -4.090 1.00 0.00 H new ATOM 0 HD13 ILE A 87 3.270 6.672 -3.659 1.00 0.00 H new ATOM 1199 N SER A 88 4.025 3.324 -8.632 1.00 0.00 N ATOM 1200 CA SER A 88 3.166 2.548 -9.518 1.00 0.00 C ATOM 1201 C SER A 88 2.350 1.540 -8.717 1.00 0.00 C ATOM 1202 O SER A 88 2.903 0.664 -8.051 1.00 0.00 O ATOM 1203 CB SER A 88 4.004 1.823 -10.571 1.00 0.00 C ATOM 1204 OG SER A 88 3.206 1.420 -11.670 1.00 0.00 O ATOM 0 H SER A 88 4.867 2.835 -8.328 1.00 0.00 H new ATOM 0 HA SER A 88 2.483 3.232 -10.022 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.803 2.478 -10.919 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.480 0.950 -10.124 1.00 0.00 H new ATOM 0 HG SER A 88 3.766 0.960 -12.330 1.00 0.00 H new ATOM 1210 N ILE A 89 1.031 1.674 -8.780 1.00 0.00 N ATOM 1211 CA ILE A 89 0.137 0.779 -8.059 1.00 0.00 C ATOM 1212 C ILE A 89 -0.845 0.106 -9.011 1.00 0.00 C ATOM 1213 O ILE A 89 -1.190 0.657 -10.052 1.00 0.00 O ATOM 1214 CB ILE A 89 -0.646 1.544 -6.969 1.00 0.00 C ATOM 1215 CG1 ILE A 89 -1.614 0.609 -6.231 1.00 0.00 C ATOM 1216 CG2 ILE A 89 -1.384 2.728 -7.575 1.00 0.00 C ATOM 1217 CD1 ILE A 89 -2.976 0.476 -6.884 1.00 0.00 C ATOM 0 H ILE A 89 0.557 2.395 -9.324 1.00 0.00 H new ATOM 0 HA ILE A 89 0.752 0.014 -7.585 1.00 0.00 H new ATOM 0 HB ILE A 89 0.068 1.926 -6.239 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.161 -0.380 -6.159 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -1.747 0.974 -5.212 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -1.930 3.255 -6.793 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -0.667 3.406 -8.037 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.085 2.372 -8.330 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -3.596 -0.202 -6.298 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.454 1.455 -6.932 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.859 0.080 -7.893 1.00 0.00 H new ATOM 1229 N VAL A 90 -1.294 -1.089 -8.649 1.00 0.00 N ATOM 1230 CA VAL A 90 -2.239 -1.828 -9.475 1.00 0.00 C ATOM 1231 C VAL A 90 -3.469 -2.221 -8.666 1.00 0.00 C ATOM 1232 O VAL A 90 -3.397 -3.062 -7.770 1.00 0.00 O ATOM 1233 CB VAL A 90 -1.596 -3.091 -10.076 1.00 0.00 C ATOM 1234 CG1 VAL A 90 -2.564 -3.787 -11.025 1.00 0.00 C ATOM 1235 CG2 VAL A 90 -0.299 -2.742 -10.789 1.00 0.00 C ATOM 0 H VAL A 90 -1.019 -1.566 -7.790 1.00 0.00 H new ATOM 0 HA VAL A 90 -2.538 -1.170 -10.291 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.364 -3.779 -9.263 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -2.091 -4.677 -11.439 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.464 -4.074 -10.481 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.831 -3.108 -11.835 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.141 -3.647 -11.207 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.504 -2.034 -11.592 1.00 0.00 H new ATOM 0 HG23 VAL A 90 0.397 -2.294 -10.080 1.00 0.00 H new ATOM 1245 N ALA A 91 -4.597 -1.596 -8.985 1.00 0.00 N ATOM 1246 CA ALA A 91 -5.849 -1.863 -8.287 1.00 0.00 C ATOM 1247 C ALA A 91 -6.202 -3.346 -8.322 1.00 0.00 C ATOM 1248 O ALA A 91 -6.047 -4.007 -9.350 1.00 0.00 O ATOM 1249 CB ALA A 91 -6.975 -1.040 -8.893 1.00 0.00 C ATOM 0 H ALA A 91 -4.670 -0.898 -9.725 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.718 -1.575 -7.244 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -7.904 -1.249 -8.363 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.738 0.020 -8.806 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.091 -1.301 -9.945 1.00 0.00 H new ATOM 1255 N ALA A 92 -6.677 -3.859 -7.185 1.00 0.00 N ATOM 1256 CA ALA A 92 -7.065 -5.266 -7.058 1.00 0.00 C ATOM 1257 C ALA A 92 -5.874 -6.157 -6.716 1.00 0.00 C ATOM 1258 O ALA A 92 -6.046 -7.250 -6.177 1.00 0.00 O ATOM 1259 CB ALA A 92 -7.752 -5.757 -8.322 1.00 0.00 C ATOM 0 H ALA A 92 -6.803 -3.315 -6.331 1.00 0.00 H new ATOM 0 HA ALA A 92 -7.772 -5.330 -6.231 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -8.030 -6.804 -8.202 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.647 -5.163 -8.504 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.072 -5.657 -9.168 1.00 0.00 H new ATOM 1265 N ALA A 93 -4.665 -5.688 -7.019 1.00 0.00 N ATOM 1266 CA ALA A 93 -3.458 -6.453 -6.727 1.00 0.00 C ATOM 1267 C ALA A 93 -3.368 -6.779 -5.238 1.00 0.00 C ATOM 1268 O ALA A 93 -2.681 -7.718 -4.834 1.00 0.00 O ATOM 1269 CB ALA A 93 -2.229 -5.681 -7.180 1.00 0.00 C ATOM 0 H ALA A 93 -4.497 -4.786 -7.465 1.00 0.00 H new ATOM 0 HA ALA A 93 -3.504 -7.394 -7.275 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.333 -6.260 -6.958 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.288 -5.501 -8.253 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -2.184 -4.727 -6.654 1.00 0.00 H new ATOM 1275 N GLY A 94 -4.069 -5.991 -4.428 1.00 0.00 N ATOM 1276 CA GLY A 94 -4.068 -6.192 -2.990 1.00 0.00 C ATOM 1277 C GLY A 94 -5.446 -6.535 -2.452 1.00 0.00 C ATOM 1278 O GLY A 94 -5.572 -7.235 -1.447 1.00 0.00 O ATOM 0 H GLY A 94 -4.643 -5.210 -4.746 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -3.373 -6.993 -2.738 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -3.704 -5.289 -2.500 1.00 0.00 H new ATOM 1282 N ARG A 95 -6.479 -6.023 -3.115 1.00 0.00 N ATOM 1283 CA ARG A 95 -7.859 -6.253 -2.695 1.00 0.00 C ATOM 1284 C ARG A 95 -8.171 -7.743 -2.605 1.00 0.00 C ATOM 1285 O ARG A 95 -8.938 -8.171 -1.742 1.00 0.00 O ATOM 1286 CB ARG A 95 -8.830 -5.589 -3.675 1.00 0.00 C ATOM 1287 CG ARG A 95 -8.673 -4.079 -3.767 1.00 0.00 C ATOM 1288 CD ARG A 95 -9.329 -3.525 -5.021 1.00 0.00 C ATOM 1289 NE ARG A 95 -9.682 -2.115 -4.877 1.00 0.00 N ATOM 1290 CZ ARG A 95 -10.737 -1.680 -4.192 1.00 0.00 C ATOM 1291 NH1 ARG A 95 -11.545 -2.541 -3.588 1.00 0.00 N ATOM 1292 NH2 ARG A 95 -10.985 -0.379 -4.113 1.00 0.00 N ATOM 0 H ARG A 95 -6.386 -5.443 -3.949 1.00 0.00 H new ATOM 0 HA ARG A 95 -7.980 -5.813 -1.705 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -8.684 -6.021 -4.665 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -9.851 -5.821 -3.373 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -9.116 -3.612 -2.887 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -7.614 -3.822 -3.765 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -8.652 -3.645 -5.867 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -10.226 -4.102 -5.246 1.00 0.00 H new ATOM 0 HE ARG A 95 -9.084 -1.422 -5.328 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -11.359 -3.542 -3.647 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -12.352 -2.202 -3.064 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -10.367 0.287 -4.577 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -11.793 -0.045 -3.588 1.00 0.00 H new ATOM 1306 N GLU A 96 -7.579 -8.532 -3.495 1.00 0.00 N ATOM 1307 CA GLU A 96 -7.805 -9.976 -3.498 1.00 0.00 C ATOM 1308 C GLU A 96 -7.624 -10.553 -2.096 1.00 0.00 C ATOM 1309 O GLU A 96 -8.484 -11.280 -1.596 1.00 0.00 O ATOM 1310 CB GLU A 96 -6.847 -10.662 -4.473 1.00 0.00 C ATOM 1311 CG GLU A 96 -7.403 -11.946 -5.070 1.00 0.00 C ATOM 1312 CD GLU A 96 -8.615 -11.702 -5.948 1.00 0.00 C ATOM 1313 OE1 GLU A 96 -9.727 -11.552 -5.398 1.00 0.00 O ATOM 1314 OE2 GLU A 96 -8.452 -11.663 -7.186 1.00 0.00 O ATOM 0 H GLU A 96 -6.943 -8.201 -4.220 1.00 0.00 H new ATOM 0 HA GLU A 96 -8.830 -10.160 -3.820 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -6.606 -9.970 -5.280 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.914 -10.886 -3.956 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -6.626 -12.436 -5.657 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.673 -12.630 -4.265 1.00 0.00 H new ATOM 1321 N LEU A 97 -6.507 -10.212 -1.465 1.00 0.00 N ATOM 1322 CA LEU A 97 -6.212 -10.683 -0.117 1.00 0.00 C ATOM 1323 C LEU A 97 -7.111 -9.997 0.907 1.00 0.00 C ATOM 1324 O LEU A 97 -7.636 -10.636 1.819 1.00 0.00 O ATOM 1325 CB LEU A 97 -4.743 -10.429 0.225 1.00 0.00 C ATOM 1326 CG LEU A 97 -3.745 -10.863 -0.851 1.00 0.00 C ATOM 1327 CD1 LEU A 97 -2.406 -10.168 -0.652 1.00 0.00 C ATOM 1328 CD2 LEU A 97 -3.574 -12.375 -0.837 1.00 0.00 C ATOM 0 H LEU A 97 -5.789 -9.609 -1.866 1.00 0.00 H new ATOM 0 HA LEU A 97 -6.405 -11.755 -0.083 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.609 -9.364 0.416 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.506 -10.951 1.152 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.138 -10.570 -1.825 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.710 -10.490 -1.427 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.544 -9.088 -0.714 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.004 -10.427 0.327 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.861 -12.668 -1.608 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.203 -12.690 0.138 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.535 -12.852 -1.031 1.00 0.00 H new ATOM 1340 N PHE A 98 -7.281 -8.686 0.751 1.00 0.00 N ATOM 1341 CA PHE A 98 -8.112 -7.901 1.660 1.00 0.00 C ATOM 1342 C PHE A 98 -9.508 -8.504 1.798 1.00 0.00 C ATOM 1343 O PHE A 98 -10.186 -8.297 2.805 1.00 0.00 O ATOM 1344 CB PHE A 98 -8.213 -6.454 1.168 1.00 0.00 C ATOM 1345 CG PHE A 98 -7.726 -5.446 2.169 1.00 0.00 C ATOM 1346 CD1 PHE A 98 -8.496 -5.121 3.274 1.00 0.00 C ATOM 1347 CD2 PHE A 98 -6.499 -4.824 2.005 1.00 0.00 C ATOM 1348 CE1 PHE A 98 -8.051 -4.194 4.198 1.00 0.00 C ATOM 1349 CE2 PHE A 98 -6.049 -3.896 2.926 1.00 0.00 C ATOM 1350 CZ PHE A 98 -6.826 -3.581 4.023 1.00 0.00 C ATOM 0 H PHE A 98 -6.853 -8.144 0.001 1.00 0.00 H new ATOM 0 HA PHE A 98 -7.639 -7.915 2.642 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -7.636 -6.350 0.249 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -9.251 -6.235 0.919 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -9.455 -5.597 3.415 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -5.887 -5.067 1.149 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -8.660 -3.950 5.055 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -5.091 -3.418 2.787 1.00 0.00 H new ATOM 0 HZ PHE A 98 -6.476 -2.856 4.743 1.00 0.00 H new ATOM 1360 N MET A 99 -9.932 -9.252 0.782 1.00 0.00 N ATOM 1361 CA MET A 99 -11.249 -9.883 0.793 1.00 0.00 C ATOM 1362 C MET A 99 -11.451 -10.708 2.062 1.00 0.00 C ATOM 1363 O MET A 99 -10.676 -11.619 2.352 1.00 0.00 O ATOM 1364 CB MET A 99 -11.420 -10.773 -0.440 1.00 0.00 C ATOM 1365 CG MET A 99 -11.753 -10.000 -1.706 1.00 0.00 C ATOM 1366 SD MET A 99 -13.526 -9.926 -2.026 1.00 0.00 S ATOM 1367 CE MET A 99 -13.798 -11.523 -2.791 1.00 0.00 C ATOM 0 H MET A 99 -9.383 -9.436 -0.058 1.00 0.00 H new ATOM 0 HA MET A 99 -12.001 -9.094 0.773 1.00 0.00 H new ATOM 0 HB2 MET A 99 -10.502 -11.338 -0.600 1.00 0.00 H new ATOM 0 HB3 MET A 99 -12.211 -11.498 -0.248 1.00 0.00 H new ATOM 0 HG2 MET A 99 -11.360 -8.987 -1.623 1.00 0.00 H new ATOM 0 HG3 MET A 99 -11.253 -10.467 -2.555 1.00 0.00 H new ATOM 0 HE1 MET A 99 -14.852 -11.629 -3.048 1.00 0.00 H new ATOM 0 HE2 MET A 99 -13.195 -11.601 -3.695 1.00 0.00 H new ATOM 0 HE3 MET A 99 -13.513 -12.313 -2.096 1.00 0.00 H new ATOM 1377 N THR A 100 -12.497 -10.381 2.812 1.00 0.00 N ATOM 1378 CA THR A 100 -12.802 -11.089 4.051 1.00 0.00 C ATOM 1379 C THR A 100 -13.226 -12.527 3.766 1.00 0.00 C ATOM 1380 O THR A 100 -13.582 -12.869 2.639 1.00 0.00 O ATOM 1381 CB THR A 100 -13.909 -10.363 4.819 1.00 0.00 C ATOM 1382 OG1 THR A 100 -13.581 -8.996 4.994 1.00 0.00 O ATOM 1383 CG2 THR A 100 -14.173 -10.951 6.187 1.00 0.00 C ATOM 0 H THR A 100 -13.149 -9.630 2.584 1.00 0.00 H new ATOM 0 HA THR A 100 -11.898 -11.109 4.660 1.00 0.00 H new ATOM 0 HB THR A 100 -14.807 -10.480 4.213 1.00 0.00 H new ATOM 0 HG1 THR A 100 -14.301 -8.547 5.485 1.00 0.00 H new ATOM 0 HG21 THR A 100 -14.968 -10.390 6.677 1.00 0.00 H new ATOM 0 HG22 THR A 100 -14.475 -11.993 6.083 1.00 0.00 H new ATOM 0 HG23 THR A 100 -13.266 -10.895 6.788 1.00 0.00 H new TER 1391 THR A 100 ATOM 1392 N THR B 111 -5.730 -13.141 11.766 1.00 0.00 N ATOM 1393 CA THR B 111 -4.672 -12.264 12.255 1.00 0.00 C ATOM 1394 C THR B 111 -4.643 -10.953 11.470 1.00 0.00 C ATOM 1395 O THR B 111 -4.905 -10.935 10.267 1.00 0.00 O ATOM 1396 CB THR B 111 -3.315 -12.961 12.156 1.00 0.00 C ATOM 1397 OG1 THR B 111 -3.127 -13.512 10.865 1.00 0.00 O ATOM 1398 CG2 THR B 111 -3.142 -14.078 13.162 1.00 0.00 C ATOM 0 HA THR B 111 -4.879 -12.036 13.300 1.00 0.00 H new ATOM 0 HB THR B 111 -2.577 -12.187 12.366 1.00 0.00 H new ATOM 0 HG1 THR B 111 -3.989 -13.811 10.508 1.00 0.00 H new ATOM 0 HG21 THR B 111 -2.158 -14.530 13.038 1.00 0.00 H new ATOM 0 HG22 THR B 111 -3.232 -13.676 14.171 1.00 0.00 H new ATOM 0 HG23 THR B 111 -3.911 -14.833 13.003 1.00 0.00 H new ATOM 1406 N PRO B 112 -4.320 -9.836 12.144 1.00 0.00 N ATOM 1407 CA PRO B 112 -4.259 -8.519 11.506 1.00 0.00 C ATOM 1408 C PRO B 112 -2.985 -8.329 10.688 1.00 0.00 C ATOM 1409 O PRO B 112 -2.136 -9.218 10.628 1.00 0.00 O ATOM 1410 CB PRO B 112 -4.278 -7.561 12.694 1.00 0.00 C ATOM 1411 CG PRO B 112 -3.627 -8.322 13.797 1.00 0.00 C ATOM 1412 CD PRO B 112 -3.994 -9.768 13.582 1.00 0.00 C ATOM 0 HA PRO B 112 -5.074 -8.366 10.799 1.00 0.00 H new ATOM 0 HB2 PRO B 112 -3.736 -6.642 12.472 1.00 0.00 H new ATOM 0 HB3 PRO B 112 -5.296 -7.274 12.957 1.00 0.00 H new ATOM 0 HG2 PRO B 112 -2.545 -8.188 13.778 1.00 0.00 H new ATOM 0 HG3 PRO B 112 -3.974 -7.972 14.769 1.00 0.00 H new ATOM 0 HD2 PRO B 112 -3.169 -10.433 13.837 1.00 0.00 H new ATOM 0 HD3 PRO B 112 -4.843 -10.062 14.199 1.00 0.00 H new ATOM 1420 N LEU B 113 -2.858 -7.165 10.062 1.00 0.00 N ATOM 1421 CA LEU B 113 -1.686 -6.855 9.250 1.00 0.00 C ATOM 1422 C LEU B 113 -1.008 -5.582 9.742 1.00 0.00 C ATOM 1423 O LEU B 113 -1.660 -4.684 10.275 1.00 0.00 O ATOM 1424 CB LEU B 113 -2.083 -6.703 7.780 1.00 0.00 C ATOM 1425 CG LEU B 113 -2.845 -7.891 7.188 1.00 0.00 C ATOM 1426 CD1 LEU B 113 -3.582 -7.474 5.925 1.00 0.00 C ATOM 1427 CD2 LEU B 113 -1.894 -9.044 6.898 1.00 0.00 C ATOM 0 H LEU B 113 -3.553 -6.419 10.101 1.00 0.00 H new ATOM 0 HA LEU B 113 -0.980 -7.680 9.343 1.00 0.00 H new ATOM 0 HB2 LEU B 113 -2.697 -5.809 7.676 1.00 0.00 H new ATOM 0 HB3 LEU B 113 -1.181 -6.540 7.191 1.00 0.00 H new ATOM 0 HG LEU B 113 -3.580 -8.229 7.919 1.00 0.00 H new ATOM 0 HD11 LEU B 113 -4.118 -8.331 5.517 1.00 0.00 H new ATOM 0 HD12 LEU B 113 -4.291 -6.681 6.163 1.00 0.00 H new ATOM 0 HD13 LEU B 113 -2.865 -7.111 5.189 1.00 0.00 H new ATOM 0 HD21 LEU B 113 -2.453 -9.880 6.478 1.00 0.00 H new ATOM 0 HD22 LEU B 113 -1.136 -8.720 6.185 1.00 0.00 H new ATOM 0 HD23 LEU B 113 -1.411 -9.359 7.823 1.00 0.00 H new ATOM 1439 N GLU B 114 0.308 -5.508 9.562 1.00 0.00 N ATOM 1440 CA GLU B 114 1.075 -4.345 9.990 1.00 0.00 C ATOM 1441 C GLU B 114 0.738 -3.124 9.141 1.00 0.00 C ATOM 1442 O GLU B 114 1.134 -3.035 7.979 1.00 0.00 O ATOM 1443 CB GLU B 114 2.575 -4.640 9.910 1.00 0.00 C ATOM 1444 CG GLU B 114 3.156 -5.193 11.202 1.00 0.00 C ATOM 1445 CD GLU B 114 4.325 -4.373 11.713 1.00 0.00 C ATOM 1446 OE1 GLU B 114 5.444 -4.543 11.183 1.00 0.00 O ATOM 1447 OE2 GLU B 114 4.123 -3.564 12.642 1.00 0.00 O ATOM 0 H GLU B 114 0.865 -6.241 9.122 1.00 0.00 H new ATOM 0 HA GLU B 114 0.809 -4.127 11.024 1.00 0.00 H new ATOM 0 HB2 GLU B 114 2.754 -5.354 9.106 1.00 0.00 H new ATOM 0 HB3 GLU B 114 3.104 -3.724 9.646 1.00 0.00 H new ATOM 0 HG2 GLU B 114 2.377 -5.222 11.964 1.00 0.00 H new ATOM 0 HG3 GLU B 114 3.481 -6.221 11.039 1.00 0.00 H new ATOM 1454 N ILE B 115 0.008 -2.183 9.731 1.00 0.00 N ATOM 1455 CA ILE B 115 -0.378 -0.963 9.030 1.00 0.00 C ATOM 1456 C ILE B 115 0.519 0.204 9.428 1.00 0.00 C ATOM 1457 O ILE B 115 1.150 0.182 10.485 1.00 0.00 O ATOM 1458 CB ILE B 115 -1.844 -0.590 9.318 1.00 0.00 C ATOM 1459 CG1 ILE B 115 -2.757 -1.795 9.088 1.00 0.00 C ATOM 1460 CG2 ILE B 115 -2.275 0.581 8.446 1.00 0.00 C ATOM 1461 CD1 ILE B 115 -4.095 -1.681 9.785 1.00 0.00 C ATOM 0 H ILE B 115 -0.328 -2.242 10.692 1.00 0.00 H new ATOM 0 HA ILE B 115 -0.264 -1.160 7.964 1.00 0.00 H new ATOM 0 HB ILE B 115 -1.926 -0.290 10.363 1.00 0.00 H new ATOM 0 HG12 ILE B 115 -2.923 -1.916 8.018 1.00 0.00 H new ATOM 0 HG13 ILE B 115 -2.251 -2.696 9.436 1.00 0.00 H new ATOM 0 HG21 ILE B 115 -3.313 0.832 8.662 1.00 0.00 H new ATOM 0 HG22 ILE B 115 -1.642 1.443 8.656 1.00 0.00 H new ATOM 0 HG23 ILE B 115 -2.179 0.307 7.395 1.00 0.00 H new ATOM 0 HD11 ILE B 115 -4.690 -2.570 9.578 1.00 0.00 H new ATOM 0 HD12 ILE B 115 -3.939 -1.591 10.860 1.00 0.00 H new ATOM 0 HD13 ILE B 115 -4.621 -0.799 9.420 1.00 0.00 H new ATOM 1473 N THR B 116 0.574 1.220 8.573 1.00 0.00 N ATOM 1474 CA THR B 116 1.396 2.395 8.837 1.00 0.00 C ATOM 1475 C THR B 116 0.799 3.636 8.180 1.00 0.00 C ATOM 1476 O THR B 116 0.159 3.548 7.132 1.00 0.00 O ATOM 1477 CB THR B 116 2.820 2.168 8.330 1.00 0.00 C ATOM 1478 OG1 THR B 116 3.385 1.014 8.925 1.00 0.00 O ATOM 1479 CG2 THR B 116 3.747 3.332 8.609 1.00 0.00 C ATOM 0 H THR B 116 0.060 1.253 7.693 1.00 0.00 H new ATOM 0 HA THR B 116 1.423 2.556 9.915 1.00 0.00 H new ATOM 0 HB THR B 116 2.728 2.050 7.250 1.00 0.00 H new ATOM 0 HG1 THR B 116 4.039 0.617 8.313 1.00 0.00 H new ATOM 0 HG21 THR B 116 4.741 3.106 8.224 1.00 0.00 H new ATOM 0 HG22 THR B 116 3.364 4.228 8.120 1.00 0.00 H new ATOM 0 HG23 THR B 116 3.805 3.502 9.684 1.00 0.00 H new ATOM 1487 N GLU B 117 1.013 4.790 8.803 1.00 0.00 N ATOM 1488 CA GLU B 117 0.497 6.050 8.281 1.00 0.00 C ATOM 1489 C GLU B 117 1.547 6.758 7.430 1.00 0.00 C ATOM 1490 O GLU B 117 2.720 6.821 7.799 1.00 0.00 O ATOM 1491 CB GLU B 117 0.058 6.959 9.429 1.00 0.00 C ATOM 1492 CG GLU B 117 -1.387 6.748 9.853 1.00 0.00 C ATOM 1493 CD GLU B 117 -2.250 7.975 9.622 1.00 0.00 C ATOM 1494 OE1 GLU B 117 -2.179 8.912 10.443 1.00 0.00 O ATOM 1495 OE2 GLU B 117 -2.996 7.995 8.620 1.00 0.00 O ATOM 0 H GLU B 117 1.541 4.879 9.671 1.00 0.00 H new ATOM 0 HA GLU B 117 -0.365 5.828 7.652 1.00 0.00 H new ATOM 0 HB2 GLU B 117 0.708 6.787 10.287 1.00 0.00 H new ATOM 0 HB3 GLU B 117 0.192 7.999 9.130 1.00 0.00 H new ATOM 0 HG2 GLU B 117 -1.804 5.906 9.301 1.00 0.00 H new ATOM 0 HG3 GLU B 117 -1.416 6.482 10.910 1.00 0.00 H new ATOM 1502 N LEU B 118 1.117 7.288 6.290 1.00 0.00 N ATOM 1503 CA LEU B 118 2.019 7.992 5.385 1.00 0.00 C ATOM 1504 C LEU B 118 1.451 9.355 5.004 1.00 0.00 C ATOM 1505 O LEU B 118 0.384 9.390 4.355 1.00 0.00 O ATOM 1506 CB LEU B 118 2.268 7.158 4.128 1.00 0.00 C ATOM 1507 CG LEU B 118 2.837 5.762 4.379 1.00 0.00 C ATOM 1508 CD1 LEU B 118 3.066 5.034 3.064 1.00 0.00 C ATOM 1509 CD2 LEU B 118 4.132 5.852 5.173 1.00 0.00 C ATOM 1510 OXT LEU B 118 2.078 10.377 5.356 1.00 0.00 O ATOM 0 H LEU B 118 0.149 7.244 5.970 1.00 0.00 H new ATOM 0 HA LEU B 118 2.966 8.146 5.902 1.00 0.00 H new ATOM 0 HB2 LEU B 118 1.328 7.058 3.585 1.00 0.00 H new ATOM 0 HB3 LEU B 118 2.955 7.702 3.480 1.00 0.00 H new ATOM 0 HG LEU B 118 2.113 5.194 4.963 1.00 0.00 H new ATOM 0 HD11 LEU B 118 3.471 4.042 3.263 1.00 0.00 H new ATOM 0 HD12 LEU B 118 2.120 4.939 2.531 1.00 0.00 H new ATOM 0 HD13 LEU B 118 3.771 5.598 2.454 1.00 0.00 H new ATOM 0 HD21 LEU B 118 4.525 4.850 5.344 1.00 0.00 H new ATOM 0 HD22 LEU B 118 4.862 6.437 4.614 1.00 0.00 H new ATOM 0 HD23 LEU B 118 3.938 6.334 6.131 1.00 0.00 H new TER 1522 LEU B 118