USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 782 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 30 LYS NZ :NH3+ -150:sc= 0 (180deg=0) USER MOD Set 1.2: A 63 LYS NZ :NH3+ -158:sc= 0 (180deg=0) USER MOD Set 2.1: A 56 LYS NZ :NH3+ -167:sc= 0.0012 (180deg=0) USER MOD Set 2.2: A 64 TYR OH : rot 180:sc= -0.0647 USER MOD Set 3.1: A 52 ASN : amide:sc= -6.03! C(o=-8.9!,f=-25!) USER MOD Set 3.2: A 68 LYS NZ :NH3+ -168:sc= -1.24! (180deg=-2.4!) USER MOD Set 3.3: A 83 THR OG1 : rot 180:sc= -1.62! USER MOD Set 4.1: A 31 THR OG1 : rot 149:sc= -1.31 USER MOD Set 4.2: A 62 ASN : amide:sc= -2.75 X(o=-4.1,f=-4.4!) USER MOD Single : A 1 MET CE :methyl -175:sc= 0 (180deg=-0.017) USER MOD Single : A 1 MET N :NH3+ -161:sc=-0.00374 (180deg=-0.103) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot -117:sc= -3.28! USER MOD Single : A 17 GLN : amide:sc= -4.08! K(o=-4.1!,f=-1.8) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.00419) USER MOD Single : A 26 GLN : amide:sc= -0.825 K(o=-0.82,f=-6.1!) USER MOD Single : A 32 ASN : amide:sc= -5.25! C(o=-5.2!,f=-6.2!) USER MOD Single : A 34 THR OG1 : rot -52:sc= 0.35 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -9.78! C(o=-9.8!,f=-10!) USER MOD Single : A 43 TYR OH : rot 180:sc= -0.843 USER MOD Single : A 44 LYS NZ :NH3+ -151:sc= 1.14 (180deg=0.11) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -2.44! C(o=-2.4!,f=-8.9!) USER MOD Single : A 51 THR OG1 : rot 100:sc= 0.43 USER MOD Single : A 53 TYR OH : rot 180:sc= -1.56 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -7.12! C(o=-7.1!,f=-18!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 23:sc= -0.251 USER MOD Single : A 76 GLN : amide:sc= -0.0228 X(o=-0.023,f=-0.52) USER MOD Single : A 77 ASN : amide:sc= -0.774 X(o=-0.77,f=-0.47) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.601 X(o=-0.6,f=-0.39) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -4.88! C(o=-4.9!,f=-4.1!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.762 2.207 -8.028 1.00 0.00 N ATOM 2 CA MET A 1 -16.757 3.070 -8.708 1.00 0.00 C ATOM 3 C MET A 1 -15.351 2.658 -8.270 1.00 0.00 C ATOM 4 O MET A 1 -14.781 3.225 -7.359 1.00 0.00 O ATOM 5 CB MET A 1 -17.003 4.532 -8.330 1.00 0.00 C ATOM 6 CG MET A 1 -18.311 5.007 -8.968 1.00 0.00 C ATOM 7 SD MET A 1 -19.416 5.638 -7.679 1.00 0.00 S ATOM 8 CE MET A 1 -20.827 4.564 -8.045 1.00 0.00 C ATOM 0 H1 MET A 1 -18.664 2.253 -8.543 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.422 1.224 -8.013 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.903 2.540 -7.053 1.00 0.00 H new ATOM 0 HA MET A 1 -16.848 2.954 -9.788 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.055 4.635 -7.246 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.173 5.152 -8.670 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.108 5.787 -9.702 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.788 4.184 -9.501 1.00 0.00 H new ATOM 0 HE1 MET A 1 -21.671 4.845 -7.416 1.00 0.00 H new ATOM 0 HE2 MET A 1 -21.104 4.672 -9.094 1.00 0.00 H new ATOM 0 HE3 MET A 1 -20.556 3.527 -7.846 1.00 0.00 H new ATOM 20 N ILE A 2 -14.786 1.673 -8.914 1.00 0.00 N ATOM 21 CA ILE A 2 -13.418 1.221 -8.535 1.00 0.00 C ATOM 22 C ILE A 2 -12.800 0.435 -9.700 1.00 0.00 C ATOM 23 O ILE A 2 -13.235 -0.661 -9.996 1.00 0.00 O ATOM 24 CB ILE A 2 -13.505 0.316 -7.305 1.00 0.00 C ATOM 25 CG1 ILE A 2 -12.109 -0.213 -6.967 1.00 0.00 C ATOM 26 CG2 ILE A 2 -14.437 -0.860 -7.599 1.00 0.00 C ATOM 27 CD1 ILE A 2 -12.134 -0.885 -5.594 1.00 0.00 C ATOM 0 H ILE A 2 -15.213 1.162 -9.686 1.00 0.00 H new ATOM 0 HA ILE A 2 -12.798 2.088 -8.308 1.00 0.00 H new ATOM 0 HB ILE A 2 -13.896 0.885 -6.461 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -11.785 -0.925 -7.726 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -11.389 0.605 -6.970 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -14.498 -1.504 -6.722 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -15.431 -0.484 -7.843 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -14.048 -1.431 -8.442 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -11.139 -1.261 -5.355 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -12.439 -0.160 -4.839 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -12.842 -1.714 -5.607 1.00 0.00 H new ATOM 39 N PRO A 3 -11.804 1.015 -10.326 1.00 0.00 N ATOM 40 CA PRO A 3 -11.111 0.383 -11.464 1.00 0.00 C ATOM 41 C PRO A 3 -10.147 -0.698 -10.966 1.00 0.00 C ATOM 42 O PRO A 3 -9.649 -1.499 -11.733 1.00 0.00 O ATOM 43 CB PRO A 3 -10.351 1.544 -12.110 1.00 0.00 C ATOM 44 CG PRO A 3 -10.191 2.625 -11.016 1.00 0.00 C ATOM 45 CD PRO A 3 -11.278 2.345 -9.961 1.00 0.00 C ATOM 0 HA PRO A 3 -11.787 -0.113 -12.160 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -9.378 1.215 -12.476 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.898 1.937 -12.967 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -9.197 2.581 -10.570 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -10.308 3.623 -11.437 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -10.864 2.346 -8.953 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.061 3.103 -9.985 1.00 0.00 H new ATOM 53 N GLY A 4 -9.883 -0.729 -9.689 1.00 0.00 N ATOM 54 CA GLY A 4 -8.956 -1.760 -9.142 1.00 0.00 C ATOM 55 C GLY A 4 -9.746 -3.023 -8.799 1.00 0.00 C ATOM 56 O GLY A 4 -10.524 -3.046 -7.866 1.00 0.00 O ATOM 0 H GLY A 4 -10.270 -0.084 -9.000 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.180 -1.990 -9.872 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.455 -1.379 -8.252 1.00 0.00 H new ATOM 60 N GLY A 5 -9.555 -4.074 -9.546 1.00 0.00 N ATOM 61 CA GLY A 5 -10.299 -5.334 -9.261 1.00 0.00 C ATOM 62 C GLY A 5 -11.776 -5.013 -9.031 1.00 0.00 C ATOM 63 O GLY A 5 -12.342 -5.339 -8.008 1.00 0.00 O ATOM 0 H GLY A 5 -8.917 -4.116 -10.341 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -10.192 -6.028 -10.094 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -9.881 -5.825 -8.382 1.00 0.00 H new ATOM 67 N LEU A 6 -12.410 -4.381 -9.973 1.00 0.00 N ATOM 68 CA LEU A 6 -13.845 -4.047 -9.799 1.00 0.00 C ATOM 69 C LEU A 6 -14.595 -5.279 -9.295 1.00 0.00 C ATOM 70 O LEU A 6 -14.071 -6.375 -9.278 1.00 0.00 O ATOM 71 CB LEU A 6 -14.425 -3.608 -11.143 1.00 0.00 C ATOM 72 CG LEU A 6 -13.776 -4.417 -12.269 1.00 0.00 C ATOM 73 CD1 LEU A 6 -14.836 -4.795 -13.305 1.00 0.00 C ATOM 74 CD2 LEU A 6 -12.688 -3.577 -12.943 1.00 0.00 C ATOM 0 H LEU A 6 -11.996 -4.081 -10.856 1.00 0.00 H new ATOM 0 HA LEU A 6 -13.950 -3.239 -9.075 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -15.505 -3.756 -11.151 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -14.248 -2.544 -11.297 1.00 0.00 H new ATOM 0 HG LEU A 6 -13.333 -5.322 -11.853 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -14.373 -5.371 -14.106 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -15.612 -5.394 -12.829 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -15.279 -3.889 -13.719 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -12.227 -4.154 -13.744 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -13.132 -2.671 -13.357 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -11.930 -3.306 -12.208 1.00 0.00 H new ATOM 86 N SER A 7 -15.818 -5.102 -8.883 1.00 0.00 N ATOM 87 CA SER A 7 -16.616 -6.254 -8.377 1.00 0.00 C ATOM 88 C SER A 7 -16.040 -6.748 -7.045 1.00 0.00 C ATOM 89 O SER A 7 -16.512 -6.385 -5.986 1.00 0.00 O ATOM 90 CB SER A 7 -16.598 -7.390 -9.403 1.00 0.00 C ATOM 91 OG SER A 7 -17.045 -6.898 -10.660 1.00 0.00 O ATOM 0 H SER A 7 -16.303 -4.204 -8.875 1.00 0.00 H new ATOM 0 HA SER A 7 -17.645 -5.930 -8.220 1.00 0.00 H new ATOM 0 HB2 SER A 7 -15.590 -7.795 -9.496 1.00 0.00 H new ATOM 0 HB3 SER A 7 -17.240 -8.206 -9.070 1.00 0.00 H new ATOM 0 HG SER A 7 -17.032 -7.624 -11.319 1.00 0.00 H new ATOM 97 N GLU A 8 -15.037 -7.588 -7.078 1.00 0.00 N ATOM 98 CA GLU A 8 -14.467 -8.107 -5.807 1.00 0.00 C ATOM 99 C GLU A 8 -13.182 -7.375 -5.437 1.00 0.00 C ATOM 100 O GLU A 8 -12.100 -7.881 -5.628 1.00 0.00 O ATOM 101 CB GLU A 8 -14.181 -9.607 -5.939 1.00 0.00 C ATOM 102 CG GLU A 8 -15.173 -10.236 -6.917 1.00 0.00 C ATOM 103 CD GLU A 8 -16.595 -10.050 -6.386 1.00 0.00 C ATOM 104 OE1 GLU A 8 -16.804 -10.306 -5.211 1.00 0.00 O ATOM 105 OE2 GLU A 8 -17.450 -9.654 -7.160 1.00 0.00 O ATOM 0 H GLU A 8 -14.592 -7.933 -7.929 1.00 0.00 H new ATOM 0 HA GLU A 8 -15.198 -7.938 -5.017 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -13.161 -9.763 -6.290 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -14.260 -10.089 -4.965 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -15.076 -9.773 -7.899 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -14.955 -11.297 -7.042 1.00 0.00 H new ATOM 112 N ALA A 9 -13.285 -6.195 -4.888 1.00 0.00 N ATOM 113 CA ALA A 9 -12.052 -5.463 -4.492 1.00 0.00 C ATOM 114 C ALA A 9 -12.415 -4.104 -3.890 1.00 0.00 C ATOM 115 O ALA A 9 -13.384 -3.480 -4.275 1.00 0.00 O ATOM 116 CB ALA A 9 -11.172 -5.268 -5.720 1.00 0.00 C ATOM 0 H ALA A 9 -14.163 -5.711 -4.698 1.00 0.00 H new ATOM 0 HA ALA A 9 -11.513 -6.042 -3.742 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -10.266 -4.732 -5.437 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -10.904 -6.240 -6.134 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -11.715 -4.692 -6.469 1.00 0.00 H new ATOM 122 N LYS A 10 -11.637 -3.639 -2.948 1.00 0.00 N ATOM 123 CA LYS A 10 -11.930 -2.318 -2.319 1.00 0.00 C ATOM 124 C LYS A 10 -10.758 -1.364 -2.576 1.00 0.00 C ATOM 125 O LYS A 10 -9.689 -1.790 -2.962 1.00 0.00 O ATOM 126 CB LYS A 10 -12.123 -2.503 -0.812 1.00 0.00 C ATOM 127 CG LYS A 10 -13.584 -2.238 -0.449 1.00 0.00 C ATOM 128 CD LYS A 10 -13.650 -1.481 0.879 1.00 0.00 C ATOM 129 CE LYS A 10 -13.367 -2.450 2.028 1.00 0.00 C ATOM 130 NZ LYS A 10 -14.036 -1.960 3.266 1.00 0.00 N ATOM 0 H LYS A 10 -10.811 -4.117 -2.587 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.840 -1.900 -2.750 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.842 -3.515 -0.520 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -11.472 -1.821 -0.265 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -14.066 -1.657 -1.235 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -14.127 -3.180 -0.370 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -12.922 -0.670 0.885 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -14.633 -1.028 1.004 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -13.730 -3.446 1.776 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -12.293 -2.534 2.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -13.844 -2.618 4.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -13.669 -1.018 3.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -15.062 -1.902 3.106 1.00 0.00 H new ATOM 144 N PRO A 11 -11.000 -0.093 -2.366 1.00 0.00 N ATOM 145 CA PRO A 11 -9.985 0.956 -2.579 1.00 0.00 C ATOM 146 C PRO A 11 -8.972 0.994 -1.430 1.00 0.00 C ATOM 147 O PRO A 11 -9.287 1.382 -0.323 1.00 0.00 O ATOM 148 CB PRO A 11 -10.805 2.244 -2.632 1.00 0.00 C ATOM 149 CG PRO A 11 -12.135 1.946 -1.894 1.00 0.00 C ATOM 150 CD PRO A 11 -12.305 0.414 -1.895 1.00 0.00 C ATOM 0 HA PRO A 11 -9.394 0.792 -3.480 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.271 3.065 -2.153 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.992 2.544 -3.663 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -12.108 2.332 -0.875 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -12.973 2.429 -2.396 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -12.543 0.039 -0.900 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -13.115 0.103 -2.555 1.00 0.00 H new ATOM 158 N ALA A 12 -7.758 0.606 -1.714 1.00 0.00 N ATOM 159 CA ALA A 12 -6.663 0.606 -0.692 1.00 0.00 C ATOM 160 C ALA A 12 -7.208 0.399 0.727 1.00 0.00 C ATOM 161 O ALA A 12 -7.688 1.323 1.356 1.00 0.00 O ATOM 162 CB ALA A 12 -5.920 1.936 -0.739 1.00 0.00 C ATOM 0 H ALA A 12 -7.469 0.280 -2.636 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.992 -0.220 -0.929 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.124 1.934 0.005 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -5.490 2.078 -1.730 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.614 2.748 -0.525 1.00 0.00 H new ATOM 168 N THR A 13 -7.110 -0.788 1.254 1.00 0.00 N ATOM 169 CA THR A 13 -7.594 -1.028 2.644 1.00 0.00 C ATOM 170 C THR A 13 -6.569 -0.455 3.620 1.00 0.00 C ATOM 171 O THR A 13 -5.479 -0.096 3.224 1.00 0.00 O ATOM 172 CB THR A 13 -7.739 -2.531 2.884 1.00 0.00 C ATOM 173 OG1 THR A 13 -7.342 -3.240 1.721 1.00 0.00 O ATOM 174 CG2 THR A 13 -9.196 -2.853 3.206 1.00 0.00 C ATOM 0 H THR A 13 -6.716 -1.603 0.784 1.00 0.00 H new ATOM 0 HA THR A 13 -8.562 -0.548 2.790 1.00 0.00 H new ATOM 0 HB THR A 13 -7.106 -2.828 3.720 1.00 0.00 H new ATOM 0 HG1 THR A 13 -8.106 -3.742 1.367 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.303 -3.924 3.378 1.00 0.00 H new ATOM 0 HG22 THR A 13 -9.499 -2.310 4.101 1.00 0.00 H new ATOM 0 HG23 THR A 13 -9.828 -2.555 2.369 1.00 0.00 H new ATOM 182 N PRO A 14 -6.927 -0.412 4.876 1.00 0.00 N ATOM 183 CA PRO A 14 -6.022 0.076 5.924 1.00 0.00 C ATOM 184 C PRO A 14 -4.974 -1.006 6.185 1.00 0.00 C ATOM 185 O PRO A 14 -4.027 -0.826 6.924 1.00 0.00 O ATOM 186 CB PRO A 14 -6.942 0.282 7.132 1.00 0.00 C ATOM 187 CG PRO A 14 -8.183 -0.609 6.884 1.00 0.00 C ATOM 188 CD PRO A 14 -8.246 -0.858 5.365 1.00 0.00 C ATOM 0 HA PRO A 14 -5.485 0.992 5.676 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.439 0.001 8.057 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -7.228 1.329 7.230 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -8.100 -1.550 7.428 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -9.090 -0.117 7.234 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -8.420 -1.910 5.140 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -9.055 -0.294 4.901 1.00 0.00 H new ATOM 196 N GLU A 15 -5.159 -2.133 5.552 1.00 0.00 N ATOM 197 CA GLU A 15 -4.229 -3.276 5.690 1.00 0.00 C ATOM 198 C GLU A 15 -3.346 -3.321 4.450 1.00 0.00 C ATOM 199 O GLU A 15 -2.135 -3.259 4.517 1.00 0.00 O ATOM 200 CB GLU A 15 -5.081 -4.541 5.742 1.00 0.00 C ATOM 201 CG GLU A 15 -4.209 -5.775 5.500 1.00 0.00 C ATOM 202 CD GLU A 15 -3.281 -5.988 6.698 1.00 0.00 C ATOM 203 OE1 GLU A 15 -3.610 -5.504 7.768 1.00 0.00 O ATOM 204 OE2 GLU A 15 -2.258 -6.630 6.521 1.00 0.00 O ATOM 0 H GLU A 15 -5.945 -2.307 4.926 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.609 -3.188 6.582 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.572 -4.618 6.712 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.868 -4.489 4.990 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.837 -6.654 5.352 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.622 -5.646 4.591 1.00 0.00 H new ATOM 211 N ILE A 16 -3.971 -3.428 3.316 1.00 0.00 N ATOM 212 CA ILE A 16 -3.220 -3.474 2.032 1.00 0.00 C ATOM 213 C ILE A 16 -2.327 -2.246 1.924 1.00 0.00 C ATOM 214 O ILE A 16 -1.173 -2.333 1.564 1.00 0.00 O ATOM 215 CB ILE A 16 -4.218 -3.472 0.877 1.00 0.00 C ATOM 216 CG1 ILE A 16 -5.146 -4.675 1.037 1.00 0.00 C ATOM 217 CG2 ILE A 16 -3.468 -3.576 -0.451 1.00 0.00 C ATOM 218 CD1 ILE A 16 -4.302 -5.945 1.162 1.00 0.00 C ATOM 0 H ILE A 16 -4.985 -3.487 3.221 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.606 -4.374 1.994 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.797 -2.548 0.885 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -5.773 -4.552 1.920 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.815 -4.751 0.180 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.183 -3.574 -1.274 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.793 -2.727 -0.555 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.892 -4.501 -0.472 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.958 -6.808 1.277 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.694 -6.068 0.266 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.652 -5.865 2.033 1.00 0.00 H new ATOM 230 N GLN A 17 -2.858 -1.103 2.227 1.00 0.00 N ATOM 231 CA GLN A 17 -2.050 0.138 2.135 1.00 0.00 C ATOM 232 C GLN A 17 -0.819 0.019 3.037 1.00 0.00 C ATOM 233 O GLN A 17 0.208 0.615 2.777 1.00 0.00 O ATOM 234 CB GLN A 17 -2.926 1.329 2.538 1.00 0.00 C ATOM 235 CG GLN A 17 -2.825 1.601 4.045 1.00 0.00 C ATOM 236 CD GLN A 17 -3.669 2.829 4.404 1.00 0.00 C ATOM 237 OE1 GLN A 17 -3.915 3.089 5.565 1.00 0.00 O ATOM 238 NE2 GLN A 17 -4.126 3.603 3.453 1.00 0.00 N ATOM 0 H GLN A 17 -3.821 -0.972 2.536 1.00 0.00 H new ATOM 0 HA GLN A 17 -1.701 0.291 1.114 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.618 2.215 1.983 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.963 1.129 2.270 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.172 0.733 4.605 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -1.785 1.767 4.326 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.921 3.387 2.477 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.687 4.422 3.687 1.00 0.00 H new ATOM 247 N GLU A 18 -0.905 -0.754 4.083 1.00 0.00 N ATOM 248 CA GLU A 18 0.273 -0.912 4.978 1.00 0.00 C ATOM 249 C GLU A 18 1.405 -1.572 4.191 1.00 0.00 C ATOM 250 O GLU A 18 2.565 -1.265 4.374 1.00 0.00 O ATOM 251 CB GLU A 18 -0.105 -1.789 6.174 1.00 0.00 C ATOM 252 CG GLU A 18 0.339 -1.112 7.472 1.00 0.00 C ATOM 253 CD GLU A 18 -0.873 -0.913 8.383 1.00 0.00 C ATOM 254 OE1 GLU A 18 -1.746 -0.143 8.015 1.00 0.00 O ATOM 255 OE2 GLU A 18 -0.908 -1.532 9.433 1.00 0.00 O ATOM 0 H GLU A 18 -1.735 -1.280 4.355 1.00 0.00 H new ATOM 0 HA GLU A 18 0.597 0.063 5.342 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.182 -1.955 6.189 1.00 0.00 H new ATOM 0 HB3 GLU A 18 0.367 -2.767 6.083 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.089 -1.722 7.975 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.804 -0.151 7.253 1.00 0.00 H new ATOM 262 N ILE A 19 1.073 -2.470 3.300 1.00 0.00 N ATOM 263 CA ILE A 19 2.128 -3.136 2.485 1.00 0.00 C ATOM 264 C ILE A 19 2.819 -2.077 1.630 1.00 0.00 C ATOM 265 O ILE A 19 4.014 -2.098 1.417 1.00 0.00 O ATOM 266 CB ILE A 19 1.475 -4.200 1.580 1.00 0.00 C ATOM 267 CG1 ILE A 19 2.485 -5.316 1.308 1.00 0.00 C ATOM 268 CG2 ILE A 19 1.037 -3.578 0.243 1.00 0.00 C ATOM 269 CD1 ILE A 19 3.693 -4.740 0.564 1.00 0.00 C ATOM 0 H ILE A 19 0.118 -2.769 3.103 1.00 0.00 H new ATOM 0 HA ILE A 19 2.859 -3.621 3.131 1.00 0.00 H new ATOM 0 HB ILE A 19 0.597 -4.601 2.086 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.804 -5.769 2.247 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.021 -6.104 0.715 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.579 -4.344 -0.382 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.315 -2.783 0.431 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.907 -3.165 -0.268 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.413 -5.535 0.370 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.366 -4.308 -0.382 1.00 0.00 H new ATOM 0 HD13 ILE A 19 4.161 -3.967 1.174 1.00 0.00 H new ATOM 281 N VAL A 20 2.048 -1.153 1.137 1.00 0.00 N ATOM 282 CA VAL A 20 2.601 -0.074 0.282 1.00 0.00 C ATOM 283 C VAL A 20 3.667 0.701 1.065 1.00 0.00 C ATOM 284 O VAL A 20 4.506 1.362 0.496 1.00 0.00 O ATOM 285 CB VAL A 20 1.439 0.836 -0.131 1.00 0.00 C ATOM 286 CG1 VAL A 20 1.940 2.236 -0.501 1.00 0.00 C ATOM 287 CG2 VAL A 20 0.729 0.214 -1.335 1.00 0.00 C ATOM 0 H VAL A 20 1.041 -1.100 1.294 1.00 0.00 H new ATOM 0 HA VAL A 20 3.077 -0.480 -0.611 1.00 0.00 H new ATOM 0 HB VAL A 20 0.751 0.932 0.709 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.095 2.860 -0.790 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.443 2.681 0.357 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.639 2.164 -1.334 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.100 0.853 -1.638 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.433 0.116 -2.162 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.348 -0.771 -1.064 1.00 0.00 H new ATOM 297 N ASP A 21 3.650 0.610 2.367 1.00 0.00 N ATOM 298 CA ASP A 21 4.676 1.327 3.183 1.00 0.00 C ATOM 299 C ASP A 21 5.762 0.338 3.619 1.00 0.00 C ATOM 300 O ASP A 21 6.844 0.725 4.012 1.00 0.00 O ATOM 301 CB ASP A 21 4.012 1.938 4.420 1.00 0.00 C ATOM 302 CG ASP A 21 4.706 3.257 4.771 1.00 0.00 C ATOM 303 OD1 ASP A 21 5.897 3.225 5.032 1.00 0.00 O ATOM 304 OD2 ASP A 21 4.032 4.275 4.773 1.00 0.00 O ATOM 0 H ASP A 21 2.970 0.070 2.903 1.00 0.00 H new ATOM 0 HA ASP A 21 5.126 2.121 2.586 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.953 2.111 4.230 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.076 1.246 5.260 1.00 0.00 H new ATOM 309 N LYS A 22 5.480 -0.936 3.557 1.00 0.00 N ATOM 310 CA LYS A 22 6.494 -1.947 3.970 1.00 0.00 C ATOM 311 C LYS A 22 7.541 -2.111 2.865 1.00 0.00 C ATOM 312 O LYS A 22 8.623 -1.566 2.939 1.00 0.00 O ATOM 313 CB LYS A 22 5.804 -3.289 4.221 1.00 0.00 C ATOM 314 CG LYS A 22 6.038 -3.721 5.671 1.00 0.00 C ATOM 315 CD LYS A 22 5.312 -2.760 6.613 1.00 0.00 C ATOM 316 CE LYS A 22 5.353 -3.311 8.038 1.00 0.00 C ATOM 317 NZ LYS A 22 4.181 -2.800 8.802 1.00 0.00 N ATOM 0 H LYS A 22 4.590 -1.320 3.238 1.00 0.00 H new ATOM 0 HA LYS A 22 6.984 -1.612 4.884 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.735 -3.203 4.024 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.194 -4.044 3.538 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.676 -4.738 5.822 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.105 -3.727 5.892 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.782 -1.777 6.579 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.278 -2.631 6.292 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.341 -4.401 8.018 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.279 -3.011 8.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.209 -3.175 9.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.212 -1.761 8.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.303 -3.107 8.337 1.00 0.00 H new ATOM 331 N VAL A 23 7.231 -2.862 1.842 1.00 0.00 N ATOM 332 CA VAL A 23 8.206 -3.058 0.739 1.00 0.00 C ATOM 333 C VAL A 23 8.122 -1.886 -0.235 1.00 0.00 C ATOM 334 O VAL A 23 8.832 -1.834 -1.220 1.00 0.00 O ATOM 335 CB VAL A 23 7.874 -4.348 -0.002 1.00 0.00 C ATOM 336 CG1 VAL A 23 8.944 -4.614 -1.053 1.00 0.00 C ATOM 337 CG2 VAL A 23 7.835 -5.505 0.991 1.00 0.00 C ATOM 0 H VAL A 23 6.342 -3.348 1.726 1.00 0.00 H new ATOM 0 HA VAL A 23 9.213 -3.116 1.152 1.00 0.00 H new ATOM 0 HB VAL A 23 6.903 -4.254 -0.488 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.710 -5.536 -1.585 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.974 -3.785 -1.760 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.915 -4.712 -0.567 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.598 -6.429 0.464 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.807 -5.602 1.475 1.00 0.00 H new ATOM 0 HG23 VAL A 23 7.072 -5.312 1.745 1.00 0.00 H new ATOM 347 N LYS A 24 7.263 -0.944 0.029 1.00 0.00 N ATOM 348 CA LYS A 24 7.142 0.217 -0.887 1.00 0.00 C ATOM 349 C LYS A 24 7.251 1.528 -0.095 1.00 0.00 C ATOM 350 O LYS A 24 6.418 2.399 -0.238 1.00 0.00 O ATOM 351 CB LYS A 24 5.782 0.156 -1.583 1.00 0.00 C ATOM 352 CG LYS A 24 5.833 -0.870 -2.716 1.00 0.00 C ATOM 353 CD LYS A 24 5.417 -2.242 -2.177 1.00 0.00 C ATOM 354 CE LYS A 24 5.655 -3.306 -3.251 1.00 0.00 C ATOM 355 NZ LYS A 24 5.025 -4.589 -2.826 1.00 0.00 N ATOM 0 H LYS A 24 6.642 -0.929 0.838 1.00 0.00 H new ATOM 0 HA LYS A 24 7.944 0.183 -1.625 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.007 -0.116 -0.866 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.520 1.137 -1.979 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.168 -0.568 -3.525 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.839 -0.920 -3.132 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.989 -2.481 -1.280 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.365 -2.228 -1.890 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.234 -2.979 -4.202 1.00 0.00 H new ATOM 0 HE3 LYS A 24 6.724 -3.448 -3.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.299 -5.345 -3.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.346 -4.832 -1.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.990 -4.485 -2.829 1.00 0.00 H new ATOM 369 N PRO A 25 8.272 1.637 0.719 1.00 0.00 N ATOM 370 CA PRO A 25 8.495 2.840 1.544 1.00 0.00 C ATOM 371 C PRO A 25 9.015 3.993 0.681 1.00 0.00 C ATOM 372 O PRO A 25 9.194 5.100 1.149 1.00 0.00 O ATOM 373 CB PRO A 25 9.547 2.394 2.558 1.00 0.00 C ATOM 374 CG PRO A 25 10.274 1.187 1.925 1.00 0.00 C ATOM 375 CD PRO A 25 9.302 0.589 0.891 1.00 0.00 C ATOM 0 HA PRO A 25 7.586 3.207 2.020 1.00 0.00 H new ATOM 0 HB2 PRO A 25 10.247 3.201 2.772 1.00 0.00 H new ATOM 0 HB3 PRO A 25 9.082 2.116 3.504 1.00 0.00 H new ATOM 0 HG2 PRO A 25 11.204 1.499 1.449 1.00 0.00 H new ATOM 0 HG3 PRO A 25 10.536 0.450 2.684 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.807 0.367 -0.049 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.866 -0.345 1.247 1.00 0.00 H new ATOM 383 N GLN A 26 9.233 3.747 -0.580 1.00 0.00 N ATOM 384 CA GLN A 26 9.712 4.831 -1.480 1.00 0.00 C ATOM 385 C GLN A 26 8.631 5.077 -2.522 1.00 0.00 C ATOM 386 O GLN A 26 8.582 6.095 -3.173 1.00 0.00 O ATOM 387 CB GLN A 26 11.010 4.402 -2.167 1.00 0.00 C ATOM 388 CG GLN A 26 12.052 4.043 -1.106 1.00 0.00 C ATOM 389 CD GLN A 26 12.213 2.524 -1.042 1.00 0.00 C ATOM 390 OE1 GLN A 26 11.242 1.795 -1.113 1.00 0.00 O ATOM 391 NE2 GLN A 26 13.405 2.011 -0.909 1.00 0.00 N ATOM 0 H GLN A 26 9.100 2.840 -1.027 1.00 0.00 H new ATOM 0 HA GLN A 26 9.909 5.740 -0.912 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.825 3.546 -2.815 1.00 0.00 H new ATOM 0 HB3 GLN A 26 11.382 5.207 -2.800 1.00 0.00 H new ATOM 0 HG2 GLN A 26 13.007 4.511 -1.346 1.00 0.00 H new ATOM 0 HG3 GLN A 26 11.744 4.428 -0.134 1.00 0.00 H new ATOM 0 HE21 GLN A 26 14.219 2.622 -0.849 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.523 0.999 -0.865 1.00 0.00 H new ATOM 400 N LEU A 27 7.755 4.133 -2.672 1.00 0.00 N ATOM 401 CA LEU A 27 6.651 4.266 -3.636 1.00 0.00 C ATOM 402 C LEU A 27 5.436 4.848 -2.901 1.00 0.00 C ATOM 403 O LEU A 27 4.499 5.338 -3.498 1.00 0.00 O ATOM 404 CB LEU A 27 6.329 2.863 -4.140 1.00 0.00 C ATOM 405 CG LEU A 27 7.412 2.359 -5.112 1.00 0.00 C ATOM 406 CD1 LEU A 27 6.977 2.630 -6.553 1.00 0.00 C ATOM 407 CD2 LEU A 27 8.756 3.058 -4.858 1.00 0.00 C ATOM 0 H LEU A 27 7.762 3.256 -2.152 1.00 0.00 H new ATOM 0 HA LEU A 27 6.913 4.920 -4.468 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.249 2.180 -3.295 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.361 2.867 -4.640 1.00 0.00 H new ATOM 0 HG LEU A 27 7.538 1.289 -4.949 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.745 2.272 -7.238 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.041 2.110 -6.754 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.835 3.701 -6.695 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.500 2.681 -5.559 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.639 4.133 -4.996 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.084 2.857 -3.838 1.00 0.00 H new ATOM 419 N GLU A 28 5.448 4.746 -1.596 1.00 0.00 N ATOM 420 CA GLU A 28 4.298 5.230 -0.767 1.00 0.00 C ATOM 421 C GLU A 28 4.485 6.667 -0.257 1.00 0.00 C ATOM 422 O GLU A 28 3.520 7.351 0.019 1.00 0.00 O ATOM 423 CB GLU A 28 4.148 4.306 0.441 1.00 0.00 C ATOM 424 CG GLU A 28 3.038 4.831 1.350 1.00 0.00 C ATOM 425 CD GLU A 28 3.629 5.809 2.366 1.00 0.00 C ATOM 426 OE1 GLU A 28 4.740 5.572 2.809 1.00 0.00 O ATOM 427 OE2 GLU A 28 2.960 6.778 2.686 1.00 0.00 O ATOM 0 H GLU A 28 6.217 4.342 -1.061 1.00 0.00 H new ATOM 0 HA GLU A 28 3.413 5.221 -1.403 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.914 3.294 0.111 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.088 4.253 0.990 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.271 5.327 0.755 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.554 4.002 1.867 1.00 0.00 H new ATOM 434 N GLU A 29 5.692 7.135 -0.099 1.00 0.00 N ATOM 435 CA GLU A 29 5.868 8.521 0.425 1.00 0.00 C ATOM 436 C GLU A 29 6.900 9.204 -0.437 1.00 0.00 C ATOM 437 O GLU A 29 7.940 9.635 0.020 1.00 0.00 O ATOM 438 CB GLU A 29 6.355 8.471 1.875 1.00 0.00 C ATOM 439 CG GLU A 29 7.769 7.892 1.921 1.00 0.00 C ATOM 440 CD GLU A 29 7.754 6.571 2.691 1.00 0.00 C ATOM 441 OE1 GLU A 29 7.149 5.630 2.202 1.00 0.00 O ATOM 442 OE2 GLU A 29 8.345 6.521 3.756 1.00 0.00 O ATOM 0 H GLU A 29 6.553 6.628 -0.306 1.00 0.00 H new ATOM 0 HA GLU A 29 4.923 9.064 0.399 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.347 9.472 2.307 1.00 0.00 H new ATOM 0 HB3 GLU A 29 5.681 7.859 2.475 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.141 7.731 0.909 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.447 8.598 2.401 1.00 0.00 H new ATOM 449 N LYS A 30 6.637 9.246 -1.698 1.00 0.00 N ATOM 450 CA LYS A 30 7.603 9.825 -2.631 1.00 0.00 C ATOM 451 C LYS A 30 6.848 10.470 -3.776 1.00 0.00 C ATOM 452 O LYS A 30 7.006 11.640 -4.063 1.00 0.00 O ATOM 453 CB LYS A 30 8.422 8.652 -3.117 1.00 0.00 C ATOM 454 CG LYS A 30 9.857 9.094 -3.414 1.00 0.00 C ATOM 455 CD LYS A 30 10.123 9.003 -4.918 1.00 0.00 C ATOM 456 CE LYS A 30 10.302 7.538 -5.317 1.00 0.00 C ATOM 457 NZ LYS A 30 11.138 7.456 -6.547 1.00 0.00 N ATOM 0 H LYS A 30 5.779 8.897 -2.124 1.00 0.00 H new ATOM 0 HA LYS A 30 8.235 10.590 -2.181 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.425 7.865 -2.363 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.970 8.231 -4.015 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.012 10.116 -3.069 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.562 8.464 -2.871 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.294 9.443 -5.472 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.016 9.573 -5.175 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.775 6.984 -4.506 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.330 7.077 -5.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.865 6.616 -7.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.992 8.309 -7.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.141 7.385 -6.281 1.00 0.00 H new ATOM 471 N THR A 31 5.999 9.720 -4.411 1.00 0.00 N ATOM 472 CA THR A 31 5.195 10.291 -5.516 1.00 0.00 C ATOM 473 C THR A 31 4.633 11.621 -5.024 1.00 0.00 C ATOM 474 O THR A 31 4.418 12.545 -5.782 1.00 0.00 O ATOM 475 CB THR A 31 4.068 9.307 -5.855 1.00 0.00 C ATOM 476 OG1 THR A 31 3.750 9.408 -7.236 1.00 0.00 O ATOM 477 CG2 THR A 31 2.814 9.599 -5.020 1.00 0.00 C ATOM 0 H THR A 31 5.828 8.735 -4.211 1.00 0.00 H new ATOM 0 HA THR A 31 5.789 10.455 -6.415 1.00 0.00 H new ATOM 0 HB THR A 31 4.410 8.298 -5.624 1.00 0.00 H new ATOM 0 HG1 THR A 31 3.445 8.537 -7.566 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.030 8.887 -5.280 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.052 9.506 -3.961 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.467 10.612 -5.226 1.00 0.00 H new ATOM 485 N ASN A 32 4.423 11.705 -3.735 1.00 0.00 N ATOM 486 CA ASN A 32 3.899 12.954 -3.126 1.00 0.00 C ATOM 487 C ASN A 32 2.889 13.603 -4.067 1.00 0.00 C ATOM 488 O ASN A 32 2.939 14.791 -4.324 1.00 0.00 O ATOM 489 CB ASN A 32 5.076 13.900 -2.867 1.00 0.00 C ATOM 490 CG ASN A 32 5.520 14.543 -4.183 1.00 0.00 C ATOM 491 OD1 ASN A 32 6.155 13.905 -5.000 1.00 0.00 O ATOM 492 ND2 ASN A 32 5.213 15.788 -4.423 1.00 0.00 N ATOM 0 H ASN A 32 4.596 10.948 -3.074 1.00 0.00 H new ATOM 0 HA ASN A 32 3.396 12.733 -2.185 1.00 0.00 H new ATOM 0 HB2 ASN A 32 4.785 14.671 -2.154 1.00 0.00 H new ATOM 0 HB3 ASN A 32 5.905 13.351 -2.421 1.00 0.00 H new ATOM 0 HD21 ASN A 32 5.506 16.226 -5.296 1.00 0.00 H new ATOM 0 HD22 ASN A 32 4.680 16.323 -3.737 1.00 0.00 H new ATOM 499 N GLU A 33 1.970 12.834 -4.588 1.00 0.00 N ATOM 500 CA GLU A 33 0.961 13.418 -5.518 1.00 0.00 C ATOM 501 C GLU A 33 0.017 14.330 -4.733 1.00 0.00 C ATOM 502 O GLU A 33 -0.045 14.277 -3.521 1.00 0.00 O ATOM 503 CB GLU A 33 0.163 12.291 -6.178 1.00 0.00 C ATOM 504 CG GLU A 33 0.109 12.522 -7.689 1.00 0.00 C ATOM 505 CD GLU A 33 1.531 12.581 -8.252 1.00 0.00 C ATOM 506 OE1 GLU A 33 2.462 12.468 -7.471 1.00 0.00 O ATOM 507 OE2 GLU A 33 1.664 12.739 -9.456 1.00 0.00 O ATOM 0 H GLU A 33 1.875 11.834 -4.411 1.00 0.00 H new ATOM 0 HA GLU A 33 1.466 13.999 -6.289 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.627 11.328 -5.963 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.846 12.257 -5.768 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.450 11.719 -8.170 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.417 13.451 -7.906 1.00 0.00 H new ATOM 514 N THR A 34 -0.719 15.173 -5.411 1.00 0.00 N ATOM 515 CA THR A 34 -1.653 16.087 -4.692 1.00 0.00 C ATOM 516 C THR A 34 -3.012 15.409 -4.527 1.00 0.00 C ATOM 517 O THR A 34 -4.048 16.044 -4.574 1.00 0.00 O ATOM 518 CB THR A 34 -1.814 17.387 -5.484 1.00 0.00 C ATOM 519 OG1 THR A 34 -2.480 18.349 -4.678 1.00 0.00 O ATOM 520 CG2 THR A 34 -2.634 17.116 -6.744 1.00 0.00 C ATOM 0 H THR A 34 -0.713 15.267 -6.427 1.00 0.00 H new ATOM 0 HA THR A 34 -1.246 16.316 -3.707 1.00 0.00 H new ATOM 0 HB THR A 34 -0.833 17.768 -5.767 1.00 0.00 H new ATOM 0 HG1 THR A 34 -3.306 17.961 -4.321 1.00 0.00 H new ATOM 0 HG21 THR A 34 -2.749 18.041 -7.309 1.00 0.00 H new ATOM 0 HG22 THR A 34 -2.122 16.376 -7.359 1.00 0.00 H new ATOM 0 HG23 THR A 34 -3.617 16.737 -6.464 1.00 0.00 H new ATOM 528 N TYR A 35 -3.010 14.126 -4.317 1.00 0.00 N ATOM 529 CA TYR A 35 -4.291 13.390 -4.127 1.00 0.00 C ATOM 530 C TYR A 35 -4.065 12.268 -3.123 1.00 0.00 C ATOM 531 O TYR A 35 -3.125 12.282 -2.353 1.00 0.00 O ATOM 532 CB TYR A 35 -4.752 12.753 -5.442 1.00 0.00 C ATOM 533 CG TYR A 35 -4.347 13.608 -6.620 1.00 0.00 C ATOM 534 CD1 TYR A 35 -5.077 14.760 -6.934 1.00 0.00 C ATOM 535 CD2 TYR A 35 -3.253 13.236 -7.409 1.00 0.00 C ATOM 536 CE1 TYR A 35 -4.709 15.544 -8.036 1.00 0.00 C ATOM 537 CE2 TYR A 35 -2.887 14.016 -8.513 1.00 0.00 C ATOM 538 CZ TYR A 35 -3.616 15.170 -8.826 1.00 0.00 C ATOM 539 OH TYR A 35 -3.255 15.940 -9.913 1.00 0.00 O ATOM 0 H TYR A 35 -2.170 13.549 -4.268 1.00 0.00 H new ATOM 0 HA TYR A 35 -5.047 14.094 -3.778 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.318 11.758 -5.542 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -5.835 12.629 -5.432 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -5.924 15.045 -6.327 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -2.690 12.347 -7.166 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.269 16.436 -8.275 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -2.043 13.728 -9.122 1.00 0.00 H new ATOM 0 HH TYR A 35 -2.475 15.541 -10.352 1.00 0.00 H new ATOM 549 N GLY A 36 -4.907 11.279 -3.155 1.00 0.00 N ATOM 550 CA GLY A 36 -4.739 10.126 -2.240 1.00 0.00 C ATOM 551 C GLY A 36 -4.263 8.942 -3.073 1.00 0.00 C ATOM 552 O GLY A 36 -5.030 8.065 -3.416 1.00 0.00 O ATOM 0 H GLY A 36 -5.710 11.221 -3.781 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.016 10.360 -1.458 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.680 9.891 -1.743 1.00 0.00 H new ATOM 556 N LYS A 37 -3.001 8.908 -3.407 1.00 0.00 N ATOM 557 CA LYS A 37 -2.486 7.786 -4.215 1.00 0.00 C ATOM 558 C LYS A 37 -1.131 7.411 -3.637 1.00 0.00 C ATOM 559 O LYS A 37 -0.238 6.969 -4.304 1.00 0.00 O ATOM 560 CB LYS A 37 -2.344 8.223 -5.674 1.00 0.00 C ATOM 561 CG LYS A 37 -3.705 8.132 -6.366 1.00 0.00 C ATOM 562 CD LYS A 37 -3.595 8.679 -7.790 1.00 0.00 C ATOM 563 CE LYS A 37 -4.248 10.060 -7.858 1.00 0.00 C ATOM 564 NZ LYS A 37 -5.508 9.977 -8.652 1.00 0.00 N ATOM 0 H LYS A 37 -2.310 9.614 -3.151 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.164 6.933 -4.187 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.966 9.244 -5.724 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.620 7.589 -6.186 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.044 7.096 -6.389 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.448 8.698 -5.805 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.548 8.745 -8.086 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.082 8.000 -8.490 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -4.463 10.422 -6.853 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.564 10.775 -8.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.952 10.916 -8.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.291 9.649 -9.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.161 9.307 -8.198 1.00 0.00 H new ATOM 578 N LEU A 38 -0.984 7.630 -2.383 1.00 0.00 N ATOM 579 CA LEU A 38 0.284 7.359 -1.703 1.00 0.00 C ATOM 580 C LEU A 38 0.080 6.179 -0.770 1.00 0.00 C ATOM 581 O LEU A 38 0.262 6.291 0.422 1.00 0.00 O ATOM 582 CB LEU A 38 0.584 8.583 -0.870 1.00 0.00 C ATOM 583 CG LEU A 38 0.236 9.877 -1.637 1.00 0.00 C ATOM 584 CD1 LEU A 38 0.391 9.709 -3.156 1.00 0.00 C ATOM 585 CD2 LEU A 38 -1.185 10.324 -1.299 1.00 0.00 C ATOM 0 H LEU A 38 -1.718 7.999 -1.778 1.00 0.00 H new ATOM 0 HA LEU A 38 1.088 7.140 -2.406 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.015 8.543 0.059 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.639 8.591 -0.597 1.00 0.00 H new ATOM 0 HG LEU A 38 0.943 10.644 -1.320 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.135 10.645 -3.653 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.422 9.444 -3.389 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.275 8.919 -3.505 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.419 11.237 -1.846 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.889 9.542 -1.581 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.262 10.512 -0.228 1.00 0.00 H new ATOM 597 N GLU A 39 -0.341 5.068 -1.286 1.00 0.00 N ATOM 598 CA GLU A 39 -0.611 3.908 -0.406 1.00 0.00 C ATOM 599 C GLU A 39 -1.089 2.749 -1.277 1.00 0.00 C ATOM 600 O GLU A 39 -0.833 2.715 -2.460 1.00 0.00 O ATOM 601 CB GLU A 39 -1.700 4.320 0.587 1.00 0.00 C ATOM 602 CG GLU A 39 -1.242 4.011 2.018 1.00 0.00 C ATOM 603 CD GLU A 39 -0.435 5.182 2.578 1.00 0.00 C ATOM 604 OE1 GLU A 39 -0.996 6.257 2.701 1.00 0.00 O ATOM 605 OE2 GLU A 39 0.732 4.983 2.875 1.00 0.00 O ATOM 0 H GLU A 39 -0.510 4.912 -2.280 1.00 0.00 H new ATOM 0 HA GLU A 39 0.280 3.598 0.140 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.914 5.384 0.486 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.625 3.787 0.368 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.108 3.821 2.652 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.636 3.105 2.026 1.00 0.00 H new ATOM 612 N ALA A 40 -1.795 1.816 -0.731 1.00 0.00 N ATOM 613 CA ALA A 40 -2.284 0.698 -1.587 1.00 0.00 C ATOM 614 C ALA A 40 -3.307 1.253 -2.575 1.00 0.00 C ATOM 615 O ALA A 40 -3.939 2.261 -2.332 1.00 0.00 O ATOM 616 CB ALA A 40 -2.947 -0.375 -0.724 1.00 0.00 C ATOM 0 H ALA A 40 -2.056 1.770 0.254 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.444 0.252 -2.120 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.300 -1.187 -1.360 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.223 -0.764 -0.008 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.791 0.059 -0.188 1.00 0.00 H new ATOM 622 N VAL A 41 -3.482 0.593 -3.678 1.00 0.00 N ATOM 623 CA VAL A 41 -4.470 1.057 -4.681 1.00 0.00 C ATOM 624 C VAL A 41 -5.771 0.324 -4.410 1.00 0.00 C ATOM 625 O VAL A 41 -6.853 0.867 -4.520 1.00 0.00 O ATOM 626 CB VAL A 41 -3.953 0.714 -6.096 1.00 0.00 C ATOM 627 CG1 VAL A 41 -4.899 -0.255 -6.790 1.00 0.00 C ATOM 628 CG2 VAL A 41 -3.865 1.982 -6.941 1.00 0.00 C ATOM 0 H VAL A 41 -2.978 -0.257 -3.931 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.622 2.134 -4.617 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.968 0.258 -5.993 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.519 -0.485 -7.785 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.971 -1.174 -6.208 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.887 0.199 -6.875 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.500 1.731 -7.937 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.853 2.436 -7.021 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.179 2.686 -6.470 1.00 0.00 H new ATOM 638 N GLN A 42 -5.660 -0.926 -4.084 1.00 0.00 N ATOM 639 CA GLN A 42 -6.880 -1.733 -3.833 1.00 0.00 C ATOM 640 C GLN A 42 -6.493 -3.206 -3.763 1.00 0.00 C ATOM 641 O GLN A 42 -5.391 -3.589 -4.099 1.00 0.00 O ATOM 642 CB GLN A 42 -7.883 -1.455 -4.982 1.00 0.00 C ATOM 643 CG GLN A 42 -8.402 -2.756 -5.632 1.00 0.00 C ATOM 644 CD GLN A 42 -7.260 -3.440 -6.389 1.00 0.00 C ATOM 645 OE1 GLN A 42 -6.592 -2.827 -7.197 1.00 0.00 O ATOM 646 NE2 GLN A 42 -7.011 -4.696 -6.150 1.00 0.00 N ATOM 0 H GLN A 42 -4.777 -1.426 -3.980 1.00 0.00 H new ATOM 0 HA GLN A 42 -7.350 -1.467 -2.886 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -8.726 -0.883 -4.595 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.401 -0.839 -5.741 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.797 -3.425 -4.867 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -9.222 -2.532 -6.314 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.574 -5.207 -5.471 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.253 -5.168 -6.642 1.00 0.00 H new ATOM 655 N TYR A 43 -7.398 -4.034 -3.339 1.00 0.00 N ATOM 656 CA TYR A 43 -7.093 -5.477 -3.258 1.00 0.00 C ATOM 657 C TYR A 43 -8.345 -6.273 -3.619 1.00 0.00 C ATOM 658 O TYR A 43 -9.360 -6.189 -2.956 1.00 0.00 O ATOM 659 CB TYR A 43 -6.660 -5.826 -1.844 1.00 0.00 C ATOM 660 CG TYR A 43 -7.777 -5.495 -0.883 1.00 0.00 C ATOM 661 CD1 TYR A 43 -8.211 -4.171 -0.728 1.00 0.00 C ATOM 662 CD2 TYR A 43 -8.391 -6.520 -0.158 1.00 0.00 C ATOM 663 CE1 TYR A 43 -9.259 -3.878 0.155 1.00 0.00 C ATOM 664 CE2 TYR A 43 -9.438 -6.228 0.722 1.00 0.00 C ATOM 665 CZ TYR A 43 -9.875 -4.908 0.879 1.00 0.00 C ATOM 666 OH TYR A 43 -10.911 -4.624 1.743 1.00 0.00 O ATOM 0 H TYR A 43 -8.338 -3.770 -3.045 1.00 0.00 H new ATOM 0 HA TYR A 43 -6.289 -5.722 -3.952 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -6.411 -6.885 -1.779 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -5.761 -5.270 -1.579 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -7.738 -3.378 -1.288 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -8.056 -7.540 -0.278 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -9.592 -2.858 0.278 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -9.910 -7.022 1.281 1.00 0.00 H new ATOM 0 HH TYR A 43 -11.224 -5.453 2.163 1.00 0.00 H new ATOM 676 N LYS A 44 -8.279 -7.041 -4.668 1.00 0.00 N ATOM 677 CA LYS A 44 -9.461 -7.839 -5.069 1.00 0.00 C ATOM 678 C LYS A 44 -9.374 -9.202 -4.387 1.00 0.00 C ATOM 679 O LYS A 44 -8.319 -9.627 -3.966 1.00 0.00 O ATOM 680 CB LYS A 44 -9.482 -8.004 -6.601 1.00 0.00 C ATOM 681 CG LYS A 44 -10.196 -9.302 -7.012 1.00 0.00 C ATOM 682 CD LYS A 44 -10.727 -9.167 -8.440 1.00 0.00 C ATOM 683 CE LYS A 44 -12.019 -8.340 -8.441 1.00 0.00 C ATOM 684 NZ LYS A 44 -12.849 -8.720 -9.619 1.00 0.00 N ATOM 0 H LYS A 44 -7.457 -7.149 -5.263 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.379 -7.335 -4.767 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.985 -7.150 -7.054 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.461 -8.011 -6.982 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.507 -10.144 -6.948 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -11.017 -9.510 -6.326 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.978 -8.689 -9.072 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.917 -10.154 -8.862 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.575 -8.513 -7.520 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.783 -7.276 -8.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.425 -7.906 -9.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.229 -9.008 -10.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.474 -9.511 -9.363 1.00 0.00 H new ATOM 698 N THR A 45 -10.467 -9.890 -4.269 1.00 0.00 N ATOM 699 CA THR A 45 -10.425 -11.223 -3.613 1.00 0.00 C ATOM 700 C THR A 45 -11.028 -12.276 -4.541 1.00 0.00 C ATOM 701 O THR A 45 -12.129 -12.134 -5.034 1.00 0.00 O ATOM 702 CB THR A 45 -11.223 -11.175 -2.307 1.00 0.00 C ATOM 703 OG1 THR A 45 -12.132 -10.084 -2.350 1.00 0.00 O ATOM 704 CG2 THR A 45 -10.267 -10.999 -1.126 1.00 0.00 C ATOM 0 H THR A 45 -11.386 -9.591 -4.596 1.00 0.00 H new ATOM 0 HA THR A 45 -9.389 -11.485 -3.398 1.00 0.00 H new ATOM 0 HB THR A 45 -11.777 -12.106 -2.186 1.00 0.00 H new ATOM 0 HG1 THR A 45 -12.645 -10.053 -1.516 1.00 0.00 H new ATOM 0 HG21 THR A 45 -10.838 -10.965 -0.198 1.00 0.00 H new ATOM 0 HG22 THR A 45 -9.571 -11.837 -1.094 1.00 0.00 H new ATOM 0 HG23 THR A 45 -9.710 -10.069 -1.244 1.00 0.00 H new ATOM 712 N GLN A 46 -10.309 -13.338 -4.776 1.00 0.00 N ATOM 713 CA GLN A 46 -10.824 -14.413 -5.664 1.00 0.00 C ATOM 714 C GLN A 46 -10.239 -15.750 -5.206 1.00 0.00 C ATOM 715 O GLN A 46 -9.043 -15.892 -5.080 1.00 0.00 O ATOM 716 CB GLN A 46 -10.393 -14.137 -7.106 1.00 0.00 C ATOM 717 CG GLN A 46 -8.962 -13.596 -7.115 1.00 0.00 C ATOM 718 CD GLN A 46 -8.179 -14.238 -8.262 1.00 0.00 C ATOM 719 OE1 GLN A 46 -7.451 -15.189 -8.058 1.00 0.00 O ATOM 720 NE2 GLN A 46 -8.299 -13.757 -9.469 1.00 0.00 N ATOM 0 H GLN A 46 -9.381 -13.507 -4.388 1.00 0.00 H new ATOM 0 HA GLN A 46 -11.912 -14.445 -5.615 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -10.451 -15.052 -7.696 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -11.069 -13.417 -7.567 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -8.973 -12.512 -7.230 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -8.475 -13.811 -6.164 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -8.910 -12.959 -9.641 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -7.782 -14.179 -10.240 1.00 0.00 H new ATOM 729 N VAL A 47 -11.073 -16.720 -4.950 1.00 0.00 N ATOM 730 CA VAL A 47 -10.574 -18.049 -4.494 1.00 0.00 C ATOM 731 C VAL A 47 -9.581 -18.606 -5.498 1.00 0.00 C ATOM 732 O VAL A 47 -8.966 -17.873 -6.244 1.00 0.00 O ATOM 733 CB VAL A 47 -11.761 -19.002 -4.357 1.00 0.00 C ATOM 734 CG1 VAL A 47 -12.800 -18.395 -3.412 1.00 0.00 C ATOM 735 CG2 VAL A 47 -12.392 -19.226 -5.734 1.00 0.00 C ATOM 0 H VAL A 47 -12.087 -16.649 -5.038 1.00 0.00 H new ATOM 0 HA VAL A 47 -10.073 -17.940 -3.532 1.00 0.00 H new ATOM 0 HB VAL A 47 -11.418 -19.954 -3.952 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -13.646 -19.076 -3.315 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -12.350 -18.234 -2.432 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -13.145 -17.442 -3.814 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -13.239 -19.905 -5.640 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -12.734 -18.273 -6.137 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -11.652 -19.660 -6.407 1.00 0.00 H new ATOM 745 N VAL A 48 -9.398 -19.900 -5.481 1.00 0.00 N ATOM 746 CA VAL A 48 -8.420 -20.552 -6.391 1.00 0.00 C ATOM 747 C VAL A 48 -8.174 -21.963 -5.864 1.00 0.00 C ATOM 748 O VAL A 48 -8.226 -22.947 -6.573 1.00 0.00 O ATOM 749 CB VAL A 48 -7.106 -19.733 -6.365 1.00 0.00 C ATOM 750 CG1 VAL A 48 -6.024 -20.399 -5.510 1.00 0.00 C ATOM 751 CG2 VAL A 48 -6.588 -19.550 -7.794 1.00 0.00 C ATOM 0 H VAL A 48 -9.895 -20.541 -4.863 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.790 -20.597 -7.415 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.331 -18.766 -5.916 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.122 -19.787 -5.523 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.380 -20.498 -4.485 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.798 -21.386 -5.913 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.663 -18.973 -7.775 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.398 -20.526 -8.240 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.334 -19.020 -8.386 1.00 0.00 H new ATOM 761 N ALA A 49 -7.879 -22.016 -4.603 1.00 0.00 N ATOM 762 CA ALA A 49 -7.573 -23.297 -3.908 1.00 0.00 C ATOM 763 C ALA A 49 -6.699 -22.931 -2.709 1.00 0.00 C ATOM 764 O ALA A 49 -5.640 -23.481 -2.485 1.00 0.00 O ATOM 765 CB ALA A 49 -6.819 -24.236 -4.849 1.00 0.00 C ATOM 0 H ALA A 49 -7.835 -21.195 -3.999 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.482 -23.810 -3.593 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.600 -25.170 -4.332 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.433 -24.442 -5.726 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.886 -23.766 -5.161 1.00 0.00 H new ATOM 771 N GLY A 50 -7.147 -21.956 -1.973 1.00 0.00 N ATOM 772 CA GLY A 50 -6.398 -21.439 -0.795 1.00 0.00 C ATOM 773 C GLY A 50 -6.904 -20.018 -0.560 1.00 0.00 C ATOM 774 O GLY A 50 -6.960 -19.539 0.555 1.00 0.00 O ATOM 0 H GLY A 50 -8.032 -21.479 -2.145 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.571 -22.064 0.081 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.324 -21.444 -0.983 1.00 0.00 H new ATOM 778 N THR A 51 -7.296 -19.374 -1.645 1.00 0.00 N ATOM 779 CA THR A 51 -7.860 -17.985 -1.625 1.00 0.00 C ATOM 780 C THR A 51 -6.867 -16.993 -2.233 1.00 0.00 C ATOM 781 O THR A 51 -5.958 -16.527 -1.576 1.00 0.00 O ATOM 782 CB THR A 51 -8.195 -17.552 -0.207 1.00 0.00 C ATOM 783 OG1 THR A 51 -9.029 -18.527 0.404 1.00 0.00 O ATOM 784 CG2 THR A 51 -8.925 -16.208 -0.250 1.00 0.00 C ATOM 0 H THR A 51 -7.243 -19.778 -2.580 1.00 0.00 H new ATOM 0 HA THR A 51 -8.774 -17.993 -2.218 1.00 0.00 H new ATOM 0 HB THR A 51 -7.277 -17.451 0.371 1.00 0.00 H new ATOM 0 HG1 THR A 51 -8.488 -19.104 0.982 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.168 -15.893 0.765 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.284 -15.461 -0.718 1.00 0.00 H new ATOM 0 HG23 THR A 51 -9.844 -16.311 -0.827 1.00 0.00 H new ATOM 792 N ASN A 52 -7.038 -16.667 -3.488 1.00 0.00 N ATOM 793 CA ASN A 52 -6.106 -15.704 -4.147 1.00 0.00 C ATOM 794 C ASN A 52 -6.438 -14.255 -3.746 1.00 0.00 C ATOM 795 O ASN A 52 -7.569 -13.921 -3.459 1.00 0.00 O ATOM 796 CB ASN A 52 -6.261 -15.834 -5.662 1.00 0.00 C ATOM 797 CG ASN A 52 -4.883 -15.926 -6.315 1.00 0.00 C ATOM 798 OD1 ASN A 52 -4.253 -14.921 -6.571 1.00 0.00 O ATOM 799 ND2 ASN A 52 -4.384 -17.097 -6.598 1.00 0.00 N ATOM 0 H ASN A 52 -7.783 -17.026 -4.085 1.00 0.00 H new ATOM 0 HA ASN A 52 -5.087 -15.933 -3.834 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -6.848 -16.721 -5.902 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -6.804 -14.975 -6.057 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.465 -17.168 -7.034 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -4.913 -17.942 -6.383 1.00 0.00 H new ATOM 806 N TYR A 53 -5.451 -13.388 -3.764 1.00 0.00 N ATOM 807 CA TYR A 53 -5.688 -11.948 -3.430 1.00 0.00 C ATOM 808 C TYR A 53 -4.885 -11.084 -4.400 1.00 0.00 C ATOM 809 O TYR A 53 -3.700 -11.275 -4.586 1.00 0.00 O ATOM 810 CB TYR A 53 -5.232 -11.615 -2.001 1.00 0.00 C ATOM 811 CG TYR A 53 -5.802 -12.592 -1.004 1.00 0.00 C ATOM 812 CD1 TYR A 53 -7.183 -12.641 -0.777 1.00 0.00 C ATOM 813 CD2 TYR A 53 -4.946 -13.434 -0.285 1.00 0.00 C ATOM 814 CE1 TYR A 53 -7.705 -13.534 0.167 1.00 0.00 C ATOM 815 CE2 TYR A 53 -5.466 -14.325 0.658 1.00 0.00 C ATOM 816 CZ TYR A 53 -6.845 -14.377 0.885 1.00 0.00 C ATOM 817 OH TYR A 53 -7.356 -15.252 1.819 1.00 0.00 O ATOM 0 H TYR A 53 -4.485 -13.620 -3.998 1.00 0.00 H new ATOM 0 HA TYR A 53 -6.757 -11.752 -3.508 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -4.143 -11.634 -1.950 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -5.546 -10.604 -1.743 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -7.845 -11.991 -1.330 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.881 -13.395 -0.459 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -8.770 -13.573 0.342 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.803 -14.973 1.211 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.624 -15.763 2.224 1.00 0.00 H new ATOM 827 N TYR A 54 -5.524 -10.135 -5.017 1.00 0.00 N ATOM 828 CA TYR A 54 -4.810 -9.249 -5.980 1.00 0.00 C ATOM 829 C TYR A 54 -4.539 -7.898 -5.310 1.00 0.00 C ATOM 830 O TYR A 54 -5.401 -7.049 -5.251 1.00 0.00 O ATOM 831 CB TYR A 54 -5.702 -9.047 -7.201 1.00 0.00 C ATOM 832 CG TYR A 54 -4.910 -9.318 -8.458 1.00 0.00 C ATOM 833 CD1 TYR A 54 -4.598 -10.635 -8.814 1.00 0.00 C ATOM 834 CD2 TYR A 54 -4.487 -8.256 -9.266 1.00 0.00 C ATOM 835 CE1 TYR A 54 -3.864 -10.891 -9.979 1.00 0.00 C ATOM 836 CE2 TYR A 54 -3.754 -8.511 -10.432 1.00 0.00 C ATOM 837 CZ TYR A 54 -3.443 -9.829 -10.788 1.00 0.00 C ATOM 838 OH TYR A 54 -2.721 -10.081 -11.937 1.00 0.00 O ATOM 0 H TYR A 54 -6.516 -9.931 -4.897 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.863 -9.697 -6.282 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.562 -9.715 -7.150 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -6.090 -8.028 -7.216 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -4.923 -11.454 -8.190 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -4.726 -7.240 -8.990 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -3.623 -11.907 -10.253 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -3.429 -7.692 -11.056 1.00 0.00 H new ATOM 0 HH TYR A 54 -2.509 -9.234 -12.382 1.00 0.00 H new ATOM 848 N ILE A 55 -3.360 -7.688 -4.788 1.00 0.00 N ATOM 849 CA ILE A 55 -3.085 -6.396 -4.110 1.00 0.00 C ATOM 850 C ILE A 55 -2.414 -5.410 -5.062 1.00 0.00 C ATOM 851 O ILE A 55 -1.208 -5.284 -5.097 1.00 0.00 O ATOM 852 CB ILE A 55 -2.172 -6.651 -2.910 1.00 0.00 C ATOM 853 CG1 ILE A 55 -2.735 -7.798 -2.066 1.00 0.00 C ATOM 854 CG2 ILE A 55 -2.079 -5.387 -2.057 1.00 0.00 C ATOM 855 CD1 ILE A 55 -4.234 -7.593 -1.852 1.00 0.00 C ATOM 0 H ILE A 55 -2.585 -8.350 -4.803 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.030 -5.962 -3.782 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.178 -6.921 -3.267 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.556 -8.751 -2.564 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.223 -7.840 -1.105 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.428 -5.572 -1.203 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.670 -4.573 -2.656 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.073 -5.113 -1.703 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.631 -8.411 -1.251 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.402 -6.648 -1.335 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.740 -7.573 -2.817 1.00 0.00 H new ATOM 867 N LYS A 56 -3.197 -4.673 -5.798 1.00 0.00 N ATOM 868 CA LYS A 56 -2.628 -3.656 -6.709 1.00 0.00 C ATOM 869 C LYS A 56 -2.236 -2.466 -5.833 1.00 0.00 C ATOM 870 O LYS A 56 -3.072 -1.891 -5.165 1.00 0.00 O ATOM 871 CB LYS A 56 -3.704 -3.244 -7.706 1.00 0.00 C ATOM 872 CG LYS A 56 -3.090 -2.364 -8.796 1.00 0.00 C ATOM 873 CD LYS A 56 -3.923 -2.475 -10.075 1.00 0.00 C ATOM 874 CE LYS A 56 -3.001 -2.379 -11.292 1.00 0.00 C ATOM 875 NZ LYS A 56 -3.669 -1.583 -12.360 1.00 0.00 N ATOM 0 H LYS A 56 -4.215 -4.736 -5.804 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.766 -4.029 -7.261 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.157 -4.129 -8.153 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -4.499 -2.703 -7.194 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -3.054 -1.327 -8.463 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -2.063 -2.672 -8.991 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.464 -3.421 -10.089 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -4.669 -1.681 -10.106 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -2.058 -1.911 -11.011 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.764 -3.377 -11.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -3.151 -1.699 -13.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -4.647 -1.915 -12.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.675 -0.578 -12.092 1.00 0.00 H new ATOM 889 N VAL A 57 -0.984 -2.105 -5.778 1.00 0.00 N ATOM 890 CA VAL A 57 -0.611 -0.974 -4.878 1.00 0.00 C ATOM 891 C VAL A 57 -0.612 0.360 -5.634 1.00 0.00 C ATOM 892 O VAL A 57 -0.255 0.449 -6.793 1.00 0.00 O ATOM 893 CB VAL A 57 0.764 -1.222 -4.213 1.00 0.00 C ATOM 894 CG1 VAL A 57 1.492 -2.375 -4.883 1.00 0.00 C ATOM 895 CG2 VAL A 57 1.624 0.037 -4.280 1.00 0.00 C ATOM 0 H VAL A 57 -0.219 -2.530 -6.302 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.364 -0.917 -4.092 1.00 0.00 H new ATOM 0 HB VAL A 57 0.588 -1.480 -3.169 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.455 -2.529 -4.397 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.894 -3.282 -4.797 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.650 -2.143 -5.936 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.587 -0.155 -3.808 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.780 0.316 -5.322 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.120 0.850 -3.758 1.00 0.00 H new ATOM 905 N ARG A 58 -1.002 1.394 -4.945 1.00 0.00 N ATOM 906 CA ARG A 58 -1.037 2.760 -5.536 1.00 0.00 C ATOM 907 C ARG A 58 0.237 3.506 -5.146 1.00 0.00 C ATOM 908 O ARG A 58 0.660 3.471 -4.008 1.00 0.00 O ATOM 909 CB ARG A 58 -2.280 3.489 -4.968 1.00 0.00 C ATOM 910 CG ARG A 58 -1.934 4.836 -4.288 1.00 0.00 C ATOM 911 CD ARG A 58 -2.743 4.994 -2.996 1.00 0.00 C ATOM 912 NE ARG A 58 -4.126 4.519 -3.234 1.00 0.00 N ATOM 913 CZ ARG A 58 -5.128 5.068 -2.604 1.00 0.00 C ATOM 914 NH1 ARG A 58 -4.922 5.722 -1.494 1.00 0.00 N ATOM 915 NH2 ARG A 58 -6.335 4.963 -3.085 1.00 0.00 N ATOM 0 H ARG A 58 -1.306 1.348 -3.972 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.096 2.716 -6.623 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.990 3.668 -5.776 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.776 2.841 -4.246 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.868 4.878 -4.066 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -2.151 5.661 -4.966 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.282 4.423 -2.190 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.752 6.038 -2.682 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.296 3.759 -3.893 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -3.977 5.804 -1.118 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.706 6.151 -1.002 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.495 4.452 -3.953 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -7.119 5.392 -2.593 1.00 0.00 H new ATOM 929 N ALA A 59 0.826 4.233 -6.046 1.00 0.00 N ATOM 930 CA ALA A 59 2.021 5.004 -5.646 1.00 0.00 C ATOM 931 C ALA A 59 1.876 6.429 -6.164 1.00 0.00 C ATOM 932 O ALA A 59 2.843 7.133 -6.336 1.00 0.00 O ATOM 933 CB ALA A 59 3.279 4.348 -6.202 1.00 0.00 C ATOM 0 H ALA A 59 0.538 4.325 -7.020 1.00 0.00 H new ATOM 0 HA ALA A 59 2.108 5.023 -4.560 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.154 4.925 -5.901 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.362 3.333 -5.813 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.222 4.316 -7.290 1.00 0.00 H new ATOM 939 N GLY A 60 0.667 6.879 -6.381 1.00 0.00 N ATOM 940 CA GLY A 60 0.493 8.281 -6.854 1.00 0.00 C ATOM 941 C GLY A 60 -0.081 8.290 -8.271 1.00 0.00 C ATOM 942 O GLY A 60 -0.642 7.317 -8.732 1.00 0.00 O ATOM 0 H GLY A 60 -0.193 6.345 -6.253 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.173 8.820 -6.180 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.451 8.800 -6.838 1.00 0.00 H new ATOM 946 N ASP A 61 0.056 9.389 -8.965 1.00 0.00 N ATOM 947 CA ASP A 61 -0.478 9.469 -10.353 1.00 0.00 C ATOM 948 C ASP A 61 0.588 8.989 -11.339 1.00 0.00 C ATOM 949 O ASP A 61 0.300 8.691 -12.481 1.00 0.00 O ATOM 950 CB ASP A 61 -0.846 10.919 -10.674 1.00 0.00 C ATOM 951 CG ASP A 61 -1.388 11.003 -12.102 1.00 0.00 C ATOM 952 OD1 ASP A 61 -1.654 9.960 -12.676 1.00 0.00 O ATOM 953 OD2 ASP A 61 -1.526 12.109 -12.598 1.00 0.00 O ATOM 0 H ASP A 61 0.516 10.235 -8.628 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.363 8.839 -10.437 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.594 11.281 -9.968 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.029 11.560 -10.567 1.00 0.00 H new ATOM 958 N ASN A 62 1.818 8.915 -10.910 1.00 0.00 N ATOM 959 CA ASN A 62 2.896 8.458 -11.823 1.00 0.00 C ATOM 960 C ASN A 62 3.365 7.062 -11.413 1.00 0.00 C ATOM 961 O ASN A 62 3.681 6.240 -12.247 1.00 0.00 O ATOM 962 CB ASN A 62 4.077 9.435 -11.776 1.00 0.00 C ATOM 963 CG ASN A 62 4.098 10.169 -10.434 1.00 0.00 C ATOM 964 OD1 ASN A 62 3.314 11.069 -10.208 1.00 0.00 O ATOM 965 ND2 ASN A 62 4.970 9.820 -9.528 1.00 0.00 N ATOM 0 H ASN A 62 2.120 9.152 -9.965 1.00 0.00 H new ATOM 0 HA ASN A 62 2.505 8.423 -12.840 1.00 0.00 H new ATOM 0 HB2 ASN A 62 5.013 8.894 -11.918 1.00 0.00 H new ATOM 0 HB3 ASN A 62 3.997 10.154 -12.591 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.993 10.303 -8.630 1.00 0.00 H new ATOM 0 HD22 ASN A 62 5.628 9.064 -9.718 1.00 0.00 H new ATOM 972 N LYS A 63 3.410 6.783 -10.140 1.00 0.00 N ATOM 973 CA LYS A 63 3.859 5.432 -9.694 1.00 0.00 C ATOM 974 C LYS A 63 2.643 4.502 -9.579 1.00 0.00 C ATOM 975 O LYS A 63 1.524 4.938 -9.372 1.00 0.00 O ATOM 976 CB LYS A 63 4.568 5.547 -8.348 1.00 0.00 C ATOM 977 CG LYS A 63 5.873 6.326 -8.517 1.00 0.00 C ATOM 978 CD LYS A 63 6.003 7.356 -7.394 1.00 0.00 C ATOM 979 CE LYS A 63 7.473 7.500 -6.998 1.00 0.00 C ATOM 980 NZ LYS A 63 8.105 8.574 -7.813 1.00 0.00 N ATOM 0 H LYS A 63 3.157 7.428 -9.391 1.00 0.00 H new ATOM 0 HA LYS A 63 4.555 5.017 -10.423 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.923 6.051 -7.628 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.775 4.554 -7.949 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.722 5.642 -8.498 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.888 6.825 -9.486 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.608 8.318 -7.721 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.412 7.046 -6.532 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.553 7.739 -5.938 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.996 6.556 -7.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.135 8.435 -7.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.733 8.538 -8.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.888 9.501 -7.394 1.00 0.00 H new ATOM 994 N TYR A 64 2.852 3.221 -9.721 1.00 0.00 N ATOM 995 CA TYR A 64 1.714 2.263 -9.654 1.00 0.00 C ATOM 996 C TYR A 64 2.290 0.858 -9.531 1.00 0.00 C ATOM 997 O TYR A 64 2.696 0.256 -10.502 1.00 0.00 O ATOM 998 CB TYR A 64 0.906 2.376 -10.950 1.00 0.00 C ATOM 999 CG TYR A 64 -0.540 2.019 -10.692 1.00 0.00 C ATOM 1000 CD1 TYR A 64 -0.899 1.318 -9.535 1.00 0.00 C ATOM 1001 CD2 TYR A 64 -1.521 2.391 -11.618 1.00 0.00 C ATOM 1002 CE1 TYR A 64 -2.241 0.990 -9.303 1.00 0.00 C ATOM 1003 CE2 TYR A 64 -2.863 2.064 -11.386 1.00 0.00 C ATOM 1004 CZ TYR A 64 -3.222 1.363 -10.228 1.00 0.00 C ATOM 1005 OH TYR A 64 -4.545 1.042 -10.001 1.00 0.00 O ATOM 0 H TYR A 64 3.766 2.796 -9.881 1.00 0.00 H new ATOM 0 HA TYR A 64 1.068 2.478 -8.803 1.00 0.00 H new ATOM 0 HB2 TYR A 64 0.974 3.390 -11.343 1.00 0.00 H new ATOM 0 HB3 TYR A 64 1.323 1.712 -11.707 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -0.141 1.030 -8.821 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -1.243 2.930 -12.512 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -2.518 0.449 -8.410 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -3.621 2.352 -12.100 1.00 0.00 H new ATOM 0 HH TYR A 64 -5.094 1.376 -10.741 1.00 0.00 H new ATOM 1015 N LEU A 65 2.361 0.348 -8.344 1.00 0.00 N ATOM 1016 CA LEU A 65 2.961 -0.995 -8.152 1.00 0.00 C ATOM 1017 C LEU A 65 1.891 -2.071 -8.153 1.00 0.00 C ATOM 1018 O LEU A 65 0.747 -1.825 -8.485 1.00 0.00 O ATOM 1019 CB LEU A 65 3.715 -1.001 -6.828 1.00 0.00 C ATOM 1020 CG LEU A 65 4.749 0.144 -6.852 1.00 0.00 C ATOM 1021 CD1 LEU A 65 4.045 1.488 -6.687 1.00 0.00 C ATOM 1022 CD2 LEU A 65 5.741 -0.023 -5.702 1.00 0.00 C ATOM 0 H LEU A 65 2.029 0.802 -7.493 1.00 0.00 H new ATOM 0 HA LEU A 65 3.645 -1.209 -8.974 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.023 -0.869 -5.997 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.213 -1.959 -6.679 1.00 0.00 H new ATOM 0 HG LEU A 65 5.274 0.112 -7.807 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.783 2.290 -6.705 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.335 1.629 -7.502 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.513 1.506 -5.736 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.467 0.790 -5.727 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.205 -0.002 -4.753 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.260 -0.976 -5.804 1.00 0.00 H new ATOM 1034 N HIS A 66 2.244 -3.277 -7.796 1.00 0.00 N ATOM 1035 CA HIS A 66 1.228 -4.344 -7.804 1.00 0.00 C ATOM 1036 C HIS A 66 1.690 -5.559 -6.993 1.00 0.00 C ATOM 1037 O HIS A 66 2.864 -5.790 -6.792 1.00 0.00 O ATOM 1038 CB HIS A 66 0.980 -4.749 -9.246 1.00 0.00 C ATOM 1039 CG HIS A 66 -0.388 -5.322 -9.336 1.00 0.00 C ATOM 1040 ND1 HIS A 66 -1.414 -4.680 -9.990 1.00 0.00 N ATOM 1041 CD2 HIS A 66 -0.919 -6.463 -8.816 1.00 0.00 C ATOM 1042 CE1 HIS A 66 -2.509 -5.435 -9.844 1.00 0.00 C ATOM 1043 NE2 HIS A 66 -2.265 -6.541 -9.137 1.00 0.00 N ATOM 0 H HIS A 66 3.180 -3.558 -7.505 1.00 0.00 H new ATOM 0 HA HIS A 66 0.312 -3.973 -7.345 1.00 0.00 H new ATOM 0 HB2 HIS A 66 1.075 -3.886 -9.905 1.00 0.00 H new ATOM 0 HB3 HIS A 66 1.721 -5.480 -9.569 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -0.374 -7.196 -8.240 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.477 -5.180 -10.250 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -2.923 -7.279 -8.888 1.00 0.00 H new ATOM 1051 N LEU A 67 0.744 -6.324 -6.522 1.00 0.00 N ATOM 1052 CA LEU A 67 1.045 -7.533 -5.707 1.00 0.00 C ATOM 1053 C LEU A 67 -0.126 -8.493 -5.828 1.00 0.00 C ATOM 1054 O LEU A 67 -1.203 -8.142 -6.266 1.00 0.00 O ATOM 1055 CB LEU A 67 1.169 -7.114 -4.241 1.00 0.00 C ATOM 1056 CG LEU A 67 1.047 -8.332 -3.307 1.00 0.00 C ATOM 1057 CD1 LEU A 67 2.321 -9.166 -3.356 1.00 0.00 C ATOM 1058 CD2 LEU A 67 0.842 -7.829 -1.880 1.00 0.00 C ATOM 0 H LEU A 67 -0.251 -6.156 -6.673 1.00 0.00 H new ATOM 0 HA LEU A 67 1.967 -8.002 -6.049 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.128 -6.622 -4.080 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.393 -6.387 -4.000 1.00 0.00 H new ATOM 0 HG LEU A 67 0.206 -8.949 -3.625 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.220 -10.024 -2.691 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.489 -9.515 -4.375 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.167 -8.557 -3.037 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.753 -8.679 -1.204 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.694 -7.217 -1.584 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.068 -7.231 -1.832 1.00 0.00 H new ATOM 1070 N LYS A 68 0.081 -9.691 -5.404 1.00 0.00 N ATOM 1071 CA LYS A 68 -0.969 -10.698 -5.418 1.00 0.00 C ATOM 1072 C LYS A 68 -0.759 -11.531 -4.194 1.00 0.00 C ATOM 1073 O LYS A 68 0.119 -12.374 -4.187 1.00 0.00 O ATOM 1074 CB LYS A 68 -0.743 -11.592 -6.584 1.00 0.00 C ATOM 1075 CG LYS A 68 -1.987 -12.418 -6.879 1.00 0.00 C ATOM 1076 CD LYS A 68 -1.966 -13.650 -5.969 1.00 0.00 C ATOM 1077 CE LYS A 68 -1.658 -14.925 -6.766 1.00 0.00 C ATOM 1078 NZ LYS A 68 -2.200 -14.816 -8.152 1.00 0.00 N ATOM 0 H LYS A 68 0.974 -10.018 -5.035 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.959 -10.243 -5.461 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.480 -10.997 -7.459 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.100 -12.254 -6.383 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.886 -11.829 -6.701 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.005 -12.719 -7.927 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.217 -13.516 -5.189 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.930 -13.754 -5.471 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.581 -15.088 -6.802 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -2.094 -15.789 -6.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.167 -15.748 -8.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.184 -14.483 -8.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.626 -14.141 -8.697 1.00 0.00 H new ATOM 1092 N VAL A 69 -1.505 -11.324 -3.166 1.00 0.00 N ATOM 1093 CA VAL A 69 -1.265 -12.152 -1.982 1.00 0.00 C ATOM 1094 C VAL A 69 -2.065 -13.442 -2.123 1.00 0.00 C ATOM 1095 O VAL A 69 -3.238 -13.423 -2.429 1.00 0.00 O ATOM 1096 CB VAL A 69 -1.671 -11.396 -0.715 1.00 0.00 C ATOM 1097 CG1 VAL A 69 -1.449 -12.286 0.508 1.00 0.00 C ATOM 1098 CG2 VAL A 69 -0.820 -10.132 -0.581 1.00 0.00 C ATOM 0 H VAL A 69 -2.253 -10.634 -3.094 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.204 -12.389 -1.901 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.724 -11.124 -0.780 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.739 -11.745 1.409 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.054 -13.188 0.416 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.396 -12.560 0.572 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.109 -9.593 0.321 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.233 -10.407 -0.518 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.977 -9.494 -1.451 1.00 0.00 H new ATOM 1108 N PHE A 70 -1.440 -14.571 -1.948 1.00 0.00 N ATOM 1109 CA PHE A 70 -2.190 -15.839 -2.123 1.00 0.00 C ATOM 1110 C PHE A 70 -1.851 -16.829 -1.008 1.00 0.00 C ATOM 1111 O PHE A 70 -0.704 -17.065 -0.700 1.00 0.00 O ATOM 1112 CB PHE A 70 -1.804 -16.442 -3.470 1.00 0.00 C ATOM 1113 CG PHE A 70 -2.460 -17.794 -3.613 1.00 0.00 C ATOM 1114 CD1 PHE A 70 -3.741 -18.002 -3.092 1.00 0.00 C ATOM 1115 CD2 PHE A 70 -1.790 -18.838 -4.263 1.00 0.00 C ATOM 1116 CE1 PHE A 70 -4.356 -19.253 -3.221 1.00 0.00 C ATOM 1117 CE2 PHE A 70 -2.404 -20.090 -4.393 1.00 0.00 C ATOM 1118 CZ PHE A 70 -3.688 -20.297 -3.871 1.00 0.00 C ATOM 0 H PHE A 70 -0.457 -14.669 -1.695 1.00 0.00 H new ATOM 0 HA PHE A 70 -3.260 -15.634 -2.084 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -2.118 -15.784 -4.280 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -0.721 -16.540 -3.541 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -4.256 -17.197 -2.590 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.800 -18.678 -4.664 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -5.346 -19.412 -2.819 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.888 -20.895 -4.895 1.00 0.00 H new ATOM 0 HZ PHE A 70 -4.162 -21.262 -3.970 1.00 0.00 H new ATOM 1128 N LYS A 71 -2.851 -17.426 -0.420 1.00 0.00 N ATOM 1129 CA LYS A 71 -2.597 -18.425 0.655 1.00 0.00 C ATOM 1130 C LYS A 71 -2.625 -19.813 0.021 1.00 0.00 C ATOM 1131 O LYS A 71 -3.503 -20.611 0.284 1.00 0.00 O ATOM 1132 CB LYS A 71 -3.689 -18.322 1.721 1.00 0.00 C ATOM 1133 CG LYS A 71 -3.212 -17.415 2.857 1.00 0.00 C ATOM 1134 CD LYS A 71 -3.574 -18.046 4.203 1.00 0.00 C ATOM 1135 CE LYS A 71 -2.425 -18.937 4.678 1.00 0.00 C ATOM 1136 NZ LYS A 71 -1.937 -18.456 6.002 1.00 0.00 N ATOM 0 H LYS A 71 -3.834 -17.265 -0.638 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.631 -18.242 1.126 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.603 -17.922 1.282 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.928 -19.312 2.108 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.134 -17.268 2.791 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.673 -16.431 2.769 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -3.772 -17.267 4.940 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.487 -18.633 4.107 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.761 -19.971 4.756 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.613 -18.920 3.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.156 -19.062 6.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -1.601 -17.476 5.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.713 -18.494 6.693 1.00 0.00 H new ATOM 1150 N SER A 72 -1.678 -20.093 -0.832 1.00 0.00 N ATOM 1151 CA SER A 72 -1.646 -21.414 -1.515 1.00 0.00 C ATOM 1152 C SER A 72 -2.036 -22.530 -0.547 1.00 0.00 C ATOM 1153 O SER A 72 -1.274 -22.926 0.311 1.00 0.00 O ATOM 1154 CB SER A 72 -0.240 -21.674 -2.055 1.00 0.00 C ATOM 1155 OG SER A 72 -0.143 -21.166 -3.379 1.00 0.00 O ATOM 0 H SER A 72 -0.921 -19.458 -1.086 1.00 0.00 H new ATOM 0 HA SER A 72 -2.361 -21.400 -2.337 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.502 -21.196 -1.415 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.027 -22.743 -2.047 1.00 0.00 H new ATOM 0 HG SER A 72 -0.821 -20.472 -3.513 1.00 0.00 H new ATOM 1161 N LEU A 73 -3.222 -23.042 -0.700 1.00 0.00 N ATOM 1162 CA LEU A 73 -3.695 -24.144 0.178 1.00 0.00 C ATOM 1163 C LEU A 73 -4.713 -24.977 -0.610 1.00 0.00 C ATOM 1164 O LEU A 73 -5.866 -25.064 -0.246 1.00 0.00 O ATOM 1165 CB LEU A 73 -4.337 -23.545 1.433 1.00 0.00 C ATOM 1166 CG LEU A 73 -5.156 -24.607 2.161 1.00 0.00 C ATOM 1167 CD1 LEU A 73 -4.767 -24.632 3.642 1.00 0.00 C ATOM 1168 CD2 LEU A 73 -6.638 -24.262 2.027 1.00 0.00 C ATOM 0 H LEU A 73 -3.893 -22.739 -1.406 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.867 -24.782 0.487 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.564 -23.154 2.095 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.977 -22.706 1.159 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.962 -25.587 1.726 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.353 -25.391 4.159 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.707 -24.866 3.736 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.964 -23.656 4.086 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -7.235 -25.014 2.543 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.825 -23.284 2.469 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -6.913 -24.242 0.972 1.00 0.00 H new ATOM 1180 N PRO A 74 -4.249 -25.551 -1.695 1.00 0.00 N ATOM 1181 CA PRO A 74 -5.094 -26.370 -2.582 1.00 0.00 C ATOM 1182 C PRO A 74 -5.240 -27.793 -2.030 1.00 0.00 C ATOM 1183 O PRO A 74 -5.087 -28.764 -2.746 1.00 0.00 O ATOM 1184 CB PRO A 74 -4.314 -26.379 -3.901 1.00 0.00 C ATOM 1185 CG PRO A 74 -2.838 -26.088 -3.538 1.00 0.00 C ATOM 1186 CD PRO A 74 -2.846 -25.426 -2.149 1.00 0.00 C ATOM 0 HA PRO A 74 -6.107 -25.982 -2.686 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -4.408 -27.343 -4.401 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.701 -25.625 -4.586 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.254 -27.008 -3.525 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -2.380 -25.431 -4.277 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -2.160 -25.926 -1.465 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -2.537 -24.382 -2.204 1.00 0.00 H new ATOM 1194 N GLY A 75 -5.539 -27.926 -0.768 1.00 0.00 N ATOM 1195 CA GLY A 75 -5.699 -29.284 -0.179 1.00 0.00 C ATOM 1196 C GLY A 75 -4.349 -29.779 0.343 1.00 0.00 C ATOM 1197 O GLY A 75 -4.255 -30.336 1.418 1.00 0.00 O ATOM 0 H GLY A 75 -5.680 -27.152 -0.119 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.426 -29.256 0.633 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -6.085 -29.974 -0.929 1.00 0.00 H new ATOM 1201 N GLN A 76 -3.306 -29.581 -0.411 1.00 0.00 N ATOM 1202 CA GLN A 76 -1.964 -30.041 0.042 1.00 0.00 C ATOM 1203 C GLN A 76 -1.397 -29.042 1.053 1.00 0.00 C ATOM 1204 O GLN A 76 -0.523 -29.364 1.833 1.00 0.00 O ATOM 1205 CB GLN A 76 -1.028 -30.134 -1.163 1.00 0.00 C ATOM 1206 CG GLN A 76 -0.501 -31.565 -1.292 1.00 0.00 C ATOM 1207 CD GLN A 76 -1.622 -32.478 -1.789 1.00 0.00 C ATOM 1208 OE1 GLN A 76 -2.325 -32.147 -2.723 1.00 0.00 O ATOM 1209 NE2 GLN A 76 -1.823 -33.626 -1.198 1.00 0.00 N ATOM 0 H GLN A 76 -3.324 -29.121 -1.321 1.00 0.00 H new ATOM 0 HA GLN A 76 -2.053 -31.021 0.512 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.558 -29.847 -2.071 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -0.197 -29.438 -1.046 1.00 0.00 H new ATOM 0 HG2 GLN A 76 0.340 -31.593 -1.985 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -0.132 -31.916 -0.328 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -1.234 -33.906 -0.414 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -2.569 -34.242 -1.521 1.00 0.00 H new ATOM 1218 N ASN A 77 -1.891 -27.833 1.051 1.00 0.00 N ATOM 1219 CA ASN A 77 -1.381 -26.820 2.016 1.00 0.00 C ATOM 1220 C ASN A 77 0.149 -26.812 1.983 1.00 0.00 C ATOM 1221 O ASN A 77 0.802 -27.292 2.888 1.00 0.00 O ATOM 1222 CB ASN A 77 -1.860 -27.178 3.424 1.00 0.00 C ATOM 1223 CG ASN A 77 -1.147 -26.296 4.450 1.00 0.00 C ATOM 1224 OD1 ASN A 77 -0.754 -26.762 5.500 1.00 0.00 O ATOM 1225 ND2 ASN A 77 -0.964 -25.030 4.188 1.00 0.00 N ATOM 0 H ASN A 77 -2.625 -27.505 0.423 1.00 0.00 H new ATOM 0 HA ASN A 77 -1.755 -25.833 1.744 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -2.939 -27.040 3.498 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -1.659 -28.229 3.631 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -0.491 -24.432 4.866 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -1.294 -24.639 3.306 1.00 0.00 H new ATOM 1232 N GLU A 78 0.729 -26.269 0.946 1.00 0.00 N ATOM 1233 CA GLU A 78 2.216 -26.232 0.858 1.00 0.00 C ATOM 1234 C GLU A 78 2.701 -24.782 0.954 1.00 0.00 C ATOM 1235 O GLU A 78 3.256 -24.242 0.019 1.00 0.00 O ATOM 1236 CB GLU A 78 2.668 -26.828 -0.478 1.00 0.00 C ATOM 1237 CG GLU A 78 1.772 -28.014 -0.840 1.00 0.00 C ATOM 1238 CD GLU A 78 2.149 -28.533 -2.230 1.00 0.00 C ATOM 1239 OE1 GLU A 78 3.050 -27.967 -2.826 1.00 0.00 O ATOM 1240 OE2 GLU A 78 1.529 -29.484 -2.674 1.00 0.00 O ATOM 0 H GLU A 78 0.237 -25.850 0.157 1.00 0.00 H new ATOM 0 HA GLU A 78 2.638 -26.813 1.678 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.620 -26.071 -1.260 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.707 -27.151 -0.411 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.885 -28.807 -0.101 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.725 -27.711 -0.825 1.00 0.00 H new ATOM 1247 N ASP A 79 2.497 -24.148 2.077 1.00 0.00 N ATOM 1248 CA ASP A 79 2.949 -22.736 2.221 1.00 0.00 C ATOM 1249 C ASP A 79 2.040 -21.825 1.393 1.00 0.00 C ATOM 1250 O ASP A 79 1.134 -22.282 0.724 1.00 0.00 O ATOM 1251 CB ASP A 79 4.389 -22.612 1.721 1.00 0.00 C ATOM 1252 CG ASP A 79 5.187 -21.714 2.670 1.00 0.00 C ATOM 1253 OD1 ASP A 79 4.576 -20.884 3.321 1.00 0.00 O ATOM 1254 OD2 ASP A 79 6.395 -21.872 2.729 1.00 0.00 O ATOM 0 H ASP A 79 2.039 -24.545 2.897 1.00 0.00 H new ATOM 0 HA ASP A 79 2.901 -22.441 3.269 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.851 -23.598 1.663 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.400 -22.195 0.714 1.00 0.00 H new ATOM 1259 N LEU A 80 2.275 -20.541 1.426 1.00 0.00 N ATOM 1260 CA LEU A 80 1.422 -19.608 0.636 1.00 0.00 C ATOM 1261 C LEU A 80 2.059 -19.345 -0.719 1.00 0.00 C ATOM 1262 O LEU A 80 2.711 -20.197 -1.289 1.00 0.00 O ATOM 1263 CB LEU A 80 1.240 -18.296 1.394 1.00 0.00 C ATOM 1264 CG LEU A 80 2.552 -17.523 1.409 1.00 0.00 C ATOM 1265 CD1 LEU A 80 2.267 -16.038 1.184 1.00 0.00 C ATOM 1266 CD2 LEU A 80 3.214 -17.731 2.764 1.00 0.00 C ATOM 0 H LEU A 80 3.019 -20.099 1.965 1.00 0.00 H new ATOM 0 HA LEU A 80 0.444 -20.064 0.484 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.460 -17.698 0.922 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.914 -18.497 2.414 1.00 0.00 H new ATOM 0 HG LEU A 80 3.214 -17.876 0.618 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.204 -15.482 1.194 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.776 -15.904 0.220 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.617 -15.668 1.977 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.157 -17.185 2.796 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.555 -17.364 3.551 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.405 -18.793 2.917 1.00 0.00 H new ATOM 1278 N VAL A 81 1.849 -18.180 -1.246 1.00 0.00 N ATOM 1279 CA VAL A 81 2.404 -17.858 -2.580 1.00 0.00 C ATOM 1280 C VAL A 81 2.022 -16.419 -2.937 1.00 0.00 C ATOM 1281 O VAL A 81 1.006 -15.913 -2.506 1.00 0.00 O ATOM 1282 CB VAL A 81 1.795 -18.855 -3.578 1.00 0.00 C ATOM 1283 CG1 VAL A 81 1.466 -18.176 -4.913 1.00 0.00 C ATOM 1284 CG2 VAL A 81 2.788 -19.991 -3.827 1.00 0.00 C ATOM 0 H VAL A 81 1.313 -17.431 -0.807 1.00 0.00 H new ATOM 0 HA VAL A 81 3.491 -17.936 -2.600 1.00 0.00 H new ATOM 0 HB VAL A 81 0.870 -19.243 -3.151 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.037 -18.908 -5.597 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.749 -17.372 -4.745 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.378 -17.765 -5.347 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.359 -20.700 -4.535 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.712 -19.583 -4.237 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.001 -20.500 -2.887 1.00 0.00 H new ATOM 1294 N LEU A 82 2.818 -15.764 -3.732 1.00 0.00 N ATOM 1295 CA LEU A 82 2.486 -14.380 -4.121 1.00 0.00 C ATOM 1296 C LEU A 82 2.830 -14.181 -5.579 1.00 0.00 C ATOM 1297 O LEU A 82 3.816 -13.561 -5.920 1.00 0.00 O ATOM 1298 CB LEU A 82 3.272 -13.375 -3.291 1.00 0.00 C ATOM 1299 CG LEU A 82 2.351 -12.820 -2.221 1.00 0.00 C ATOM 1300 CD1 LEU A 82 2.319 -13.768 -1.022 1.00 0.00 C ATOM 1301 CD2 LEU A 82 2.847 -11.444 -1.774 1.00 0.00 C ATOM 0 H LEU A 82 3.683 -16.133 -4.126 1.00 0.00 H new ATOM 0 HA LEU A 82 1.422 -14.220 -3.950 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.139 -13.854 -2.835 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.648 -12.571 -3.924 1.00 0.00 H new ATOM 0 HG LEU A 82 1.346 -12.725 -2.631 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.656 -13.364 -0.257 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.954 -14.745 -1.340 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.324 -13.872 -0.613 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.182 -11.050 -1.005 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.855 -11.534 -1.370 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.857 -10.766 -2.627 1.00 0.00 H new ATOM 1313 N THR A 83 2.009 -14.676 -6.449 1.00 0.00 N ATOM 1314 CA THR A 83 2.280 -14.481 -7.890 1.00 0.00 C ATOM 1315 C THR A 83 2.362 -12.981 -8.171 1.00 0.00 C ATOM 1316 O THR A 83 2.733 -12.569 -9.253 1.00 0.00 O ATOM 1317 CB THR A 83 1.156 -15.098 -8.715 1.00 0.00 C ATOM 1318 OG1 THR A 83 0.659 -16.252 -8.054 1.00 0.00 O ATOM 1319 CG2 THR A 83 1.692 -15.483 -10.096 1.00 0.00 C ATOM 0 H THR A 83 1.166 -15.205 -6.227 1.00 0.00 H new ATOM 0 HA THR A 83 3.219 -14.963 -8.160 1.00 0.00 H new ATOM 0 HB THR A 83 0.348 -14.375 -8.829 1.00 0.00 H new ATOM 0 HG1 THR A 83 -0.064 -16.647 -8.584 1.00 0.00 H new ATOM 0 HG21 THR A 83 0.890 -15.924 -10.688 1.00 0.00 H new ATOM 0 HG22 THR A 83 2.068 -14.593 -10.601 1.00 0.00 H new ATOM 0 HG23 THR A 83 2.500 -16.206 -9.984 1.00 0.00 H new ATOM 1327 N GLY A 84 2.027 -12.146 -7.210 1.00 0.00 N ATOM 1328 CA GLY A 84 2.105 -10.686 -7.464 1.00 0.00 C ATOM 1329 C GLY A 84 3.055 -10.051 -6.460 1.00 0.00 C ATOM 1330 O GLY A 84 3.162 -10.492 -5.339 1.00 0.00 O ATOM 0 H GLY A 84 1.709 -12.416 -6.279 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.454 -10.500 -8.480 1.00 0.00 H new ATOM 0 HA3 GLY A 84 1.115 -10.237 -7.380 1.00 0.00 H new ATOM 1334 N TYR A 85 3.732 -9.019 -6.869 1.00 0.00 N ATOM 1335 CA TYR A 85 4.689 -8.301 -5.978 1.00 0.00 C ATOM 1336 C TYR A 85 5.668 -7.546 -6.868 1.00 0.00 C ATOM 1337 O TYR A 85 6.363 -8.141 -7.668 1.00 0.00 O ATOM 1338 CB TYR A 85 5.477 -9.277 -5.089 1.00 0.00 C ATOM 1339 CG TYR A 85 6.290 -10.217 -5.949 1.00 0.00 C ATOM 1340 CD1 TYR A 85 5.726 -11.410 -6.419 1.00 0.00 C ATOM 1341 CD2 TYR A 85 7.613 -9.893 -6.275 1.00 0.00 C ATOM 1342 CE1 TYR A 85 6.486 -12.276 -7.214 1.00 0.00 C ATOM 1343 CE2 TYR A 85 8.372 -10.759 -7.071 1.00 0.00 C ATOM 1344 CZ TYR A 85 7.808 -11.950 -7.540 1.00 0.00 C ATOM 1345 OH TYR A 85 8.556 -12.803 -8.326 1.00 0.00 O ATOM 0 H TYR A 85 3.662 -8.630 -7.809 1.00 0.00 H new ATOM 0 HA TYR A 85 4.133 -7.629 -5.325 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.135 -8.722 -4.420 1.00 0.00 H new ATOM 0 HB3 TYR A 85 4.791 -9.846 -4.462 1.00 0.00 H new ATOM 0 HD1 TYR A 85 4.706 -11.661 -6.168 1.00 0.00 H new ATOM 0 HD2 TYR A 85 8.048 -8.974 -5.912 1.00 0.00 H new ATOM 0 HE1 TYR A 85 6.052 -13.196 -7.576 1.00 0.00 H new ATOM 0 HE2 TYR A 85 9.392 -10.508 -7.323 1.00 0.00 H new ATOM 0 HH TYR A 85 9.451 -12.426 -8.458 1.00 0.00 H new ATOM 1355 N GLN A 86 5.736 -6.250 -6.767 1.00 0.00 N ATOM 1356 CA GLN A 86 6.687 -5.520 -7.654 1.00 0.00 C ATOM 1357 C GLN A 86 6.634 -4.010 -7.416 1.00 0.00 C ATOM 1358 O GLN A 86 5.659 -3.470 -6.925 1.00 0.00 O ATOM 1359 CB GLN A 86 6.318 -5.798 -9.113 1.00 0.00 C ATOM 1360 CG GLN A 86 7.435 -6.604 -9.784 1.00 0.00 C ATOM 1361 CD GLN A 86 8.734 -5.798 -9.753 1.00 0.00 C ATOM 1362 OE1 GLN A 86 9.679 -6.172 -9.089 1.00 0.00 O ATOM 1363 NE2 GLN A 86 8.822 -4.698 -10.452 1.00 0.00 N ATOM 0 H GLN A 86 5.190 -5.674 -6.126 1.00 0.00 H new ATOM 0 HA GLN A 86 7.695 -5.869 -7.430 1.00 0.00 H new ATOM 0 HB2 GLN A 86 5.379 -6.349 -9.162 1.00 0.00 H new ATOM 0 HB3 GLN A 86 6.164 -4.859 -9.645 1.00 0.00 H new ATOM 0 HG2 GLN A 86 7.572 -7.555 -9.269 1.00 0.00 H new ATOM 0 HG3 GLN A 86 7.163 -6.836 -10.814 1.00 0.00 H new ATOM 0 HE21 GLN A 86 8.028 -4.383 -11.010 1.00 0.00 H new ATOM 0 HE22 GLN A 86 9.685 -4.154 -10.440 1.00 0.00 H new ATOM 1372 N VAL A 87 7.682 -3.330 -7.809 1.00 0.00 N ATOM 1373 CA VAL A 87 7.739 -1.851 -7.668 1.00 0.00 C ATOM 1374 C VAL A 87 7.142 -1.254 -8.938 1.00 0.00 C ATOM 1375 O VAL A 87 6.589 -1.962 -9.756 1.00 0.00 O ATOM 1376 CB VAL A 87 9.210 -1.419 -7.527 1.00 0.00 C ATOM 1377 CG1 VAL A 87 9.909 -1.503 -8.886 1.00 0.00 C ATOM 1378 CG2 VAL A 87 9.313 0.015 -7.000 1.00 0.00 C ATOM 0 H VAL A 87 8.512 -3.749 -8.228 1.00 0.00 H new ATOM 0 HA VAL A 87 7.188 -1.512 -6.791 1.00 0.00 H new ATOM 0 HB VAL A 87 9.692 -2.091 -6.817 1.00 0.00 H new ATOM 0 HG11 VAL A 87 10.949 -1.196 -8.780 1.00 0.00 H new ATOM 0 HG12 VAL A 87 9.869 -2.529 -9.253 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.407 -0.844 -9.595 1.00 0.00 H new ATOM 0 HG21 VAL A 87 10.363 0.295 -6.910 1.00 0.00 H new ATOM 0 HG22 VAL A 87 8.815 0.694 -7.692 1.00 0.00 H new ATOM 0 HG23 VAL A 87 8.835 0.079 -6.022 1.00 0.00 H new ATOM 1388 N ASP A 88 7.250 0.022 -9.132 1.00 0.00 N ATOM 1389 CA ASP A 88 6.684 0.600 -10.373 1.00 0.00 C ATOM 1390 C ASP A 88 7.445 1.851 -10.799 1.00 0.00 C ATOM 1391 O ASP A 88 8.190 1.838 -11.760 1.00 0.00 O ATOM 1392 CB ASP A 88 5.221 0.962 -10.169 1.00 0.00 C ATOM 1393 CG ASP A 88 4.670 1.526 -11.482 1.00 0.00 C ATOM 1394 OD1 ASP A 88 4.803 2.720 -11.693 1.00 0.00 O ATOM 1395 OD2 ASP A 88 4.125 0.755 -12.253 1.00 0.00 O ATOM 0 H ASP A 88 7.698 0.683 -8.497 1.00 0.00 H new ATOM 0 HA ASP A 88 6.775 -0.154 -11.155 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.652 0.083 -9.867 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.121 1.697 -9.370 1.00 0.00 H new ATOM 1400 N LYS A 89 7.220 2.940 -10.112 1.00 0.00 N ATOM 1401 CA LYS A 89 7.877 4.227 -10.475 1.00 0.00 C ATOM 1402 C LYS A 89 7.013 4.915 -11.533 1.00 0.00 C ATOM 1403 O LYS A 89 6.697 6.083 -11.429 1.00 0.00 O ATOM 1404 CB LYS A 89 9.282 3.986 -11.032 1.00 0.00 C ATOM 1405 CG LYS A 89 10.072 5.295 -10.994 1.00 0.00 C ATOM 1406 CD LYS A 89 11.570 4.995 -10.897 1.00 0.00 C ATOM 1407 CE LYS A 89 12.316 5.763 -11.990 1.00 0.00 C ATOM 1408 NZ LYS A 89 13.688 5.202 -12.142 1.00 0.00 N ATOM 0 H LYS A 89 6.600 2.991 -9.304 1.00 0.00 H new ATOM 0 HA LYS A 89 7.973 4.852 -9.587 1.00 0.00 H new ATOM 0 HB2 LYS A 89 9.792 3.223 -10.445 1.00 0.00 H new ATOM 0 HB3 LYS A 89 9.221 3.614 -12.055 1.00 0.00 H new ATOM 0 HG2 LYS A 89 9.866 5.880 -11.890 1.00 0.00 H new ATOM 0 HG3 LYS A 89 9.756 5.896 -10.141 1.00 0.00 H new ATOM 0 HD2 LYS A 89 11.946 5.282 -9.915 1.00 0.00 H new ATOM 0 HD3 LYS A 89 11.745 3.925 -11.006 1.00 0.00 H new ATOM 0 HE2 LYS A 89 11.775 5.691 -12.934 1.00 0.00 H new ATOM 0 HE3 LYS A 89 12.370 6.821 -11.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 14.196 5.723 -12.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 14.202 5.293 -11.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 13.625 4.198 -12.405 1.00 0.00 H new ATOM 1422 N ASN A 90 6.616 4.185 -12.547 1.00 0.00 N ATOM 1423 CA ASN A 90 5.756 4.773 -13.618 1.00 0.00 C ATOM 1424 C ASN A 90 5.866 3.923 -14.886 1.00 0.00 C ATOM 1425 O ASN A 90 6.042 4.433 -15.975 1.00 0.00 O ATOM 1426 CB ASN A 90 6.213 6.202 -13.930 1.00 0.00 C ATOM 1427 CG ASN A 90 7.739 6.286 -13.844 1.00 0.00 C ATOM 1428 OD1 ASN A 90 8.275 7.151 -13.180 1.00 0.00 O ATOM 1429 ND2 ASN A 90 8.468 5.414 -14.488 1.00 0.00 N ATOM 0 H ASN A 90 6.853 3.202 -12.678 1.00 0.00 H new ATOM 0 HA ASN A 90 4.722 4.791 -13.273 1.00 0.00 H new ATOM 0 HB2 ASN A 90 5.879 6.492 -14.926 1.00 0.00 H new ATOM 0 HB3 ASN A 90 5.760 6.901 -13.226 1.00 0.00 H new ATOM 0 HD21 ASN A 90 9.485 5.460 -14.433 1.00 0.00 H new ATOM 0 HD22 ASN A 90 8.020 4.687 -15.046 1.00 0.00 H new ATOM 1436 N LYS A 91 5.757 2.629 -14.756 1.00 0.00 N ATOM 1437 CA LYS A 91 5.849 1.750 -15.957 1.00 0.00 C ATOM 1438 C LYS A 91 4.640 0.820 -15.991 1.00 0.00 C ATOM 1439 O LYS A 91 3.955 0.710 -16.988 1.00 0.00 O ATOM 1440 CB LYS A 91 7.134 0.921 -15.894 1.00 0.00 C ATOM 1441 CG LYS A 91 8.342 1.855 -15.785 1.00 0.00 C ATOM 1442 CD LYS A 91 9.399 1.222 -14.875 1.00 0.00 C ATOM 1443 CE LYS A 91 10.696 1.020 -15.660 1.00 0.00 C ATOM 1444 NZ LYS A 91 11.816 1.708 -14.957 1.00 0.00 N ATOM 0 H LYS A 91 5.608 2.143 -13.872 1.00 0.00 H new ATOM 0 HA LYS A 91 5.865 2.364 -16.858 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.103 0.248 -15.037 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.222 0.299 -16.785 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.762 2.040 -16.774 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.033 2.820 -15.384 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.580 1.862 -14.011 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.040 0.266 -14.494 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.913 -0.044 -15.757 1.00 0.00 H new ATOM 0 HE3 LYS A 91 10.588 1.417 -16.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.698 1.570 -15.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.609 2.725 -14.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.924 1.309 -14.002 1.00 0.00 H new ATOM 1458 N ASP A 92 4.362 0.164 -14.901 1.00 0.00 N ATOM 1459 CA ASP A 92 3.185 -0.743 -14.859 1.00 0.00 C ATOM 1460 C ASP A 92 1.914 0.092 -14.674 1.00 0.00 C ATOM 1461 O ASP A 92 0.835 -0.436 -14.494 1.00 0.00 O ATOM 1462 CB ASP A 92 3.332 -1.717 -13.686 1.00 0.00 C ATOM 1463 CG ASP A 92 2.822 -3.098 -14.101 1.00 0.00 C ATOM 1464 OD1 ASP A 92 2.366 -3.228 -15.225 1.00 0.00 O ATOM 1465 OD2 ASP A 92 2.896 -4.003 -13.286 1.00 0.00 O ATOM 0 H ASP A 92 4.900 0.217 -14.036 1.00 0.00 H new ATOM 0 HA ASP A 92 3.122 -1.306 -15.790 1.00 0.00 H new ATOM 0 HB2 ASP A 92 4.377 -1.780 -13.381 1.00 0.00 H new ATOM 0 HB3 ASP A 92 2.770 -1.354 -12.826 1.00 0.00 H new ATOM 1470 N ASP A 93 2.034 1.395 -14.714 1.00 0.00 N ATOM 1471 CA ASP A 93 0.835 2.262 -14.538 1.00 0.00 C ATOM 1472 C ASP A 93 -0.125 2.061 -15.712 1.00 0.00 C ATOM 1473 O ASP A 93 -0.059 2.755 -16.706 1.00 0.00 O ATOM 1474 CB ASP A 93 1.272 3.728 -14.481 1.00 0.00 C ATOM 1475 CG ASP A 93 0.137 4.579 -13.911 1.00 0.00 C ATOM 1476 OD1 ASP A 93 0.089 4.737 -12.703 1.00 0.00 O ATOM 1477 OD2 ASP A 93 -0.668 5.061 -14.692 1.00 0.00 O ATOM 0 H ASP A 93 2.912 1.894 -14.861 1.00 0.00 H new ATOM 0 HA ASP A 93 0.329 1.995 -13.610 1.00 0.00 H new ATOM 0 HB2 ASP A 93 2.163 3.829 -13.861 1.00 0.00 H new ATOM 0 HB3 ASP A 93 1.537 4.078 -15.479 1.00 0.00 H new ATOM 1482 N GLU A 94 -1.020 1.118 -15.603 1.00 0.00 N ATOM 1483 CA GLU A 94 -1.985 0.874 -16.711 1.00 0.00 C ATOM 1484 C GLU A 94 -3.411 0.901 -16.153 1.00 0.00 C ATOM 1485 O GLU A 94 -3.876 -0.055 -15.565 1.00 0.00 O ATOM 1486 CB GLU A 94 -1.706 -0.491 -17.340 1.00 0.00 C ATOM 1487 CG GLU A 94 -0.202 -0.648 -17.570 1.00 0.00 C ATOM 1488 CD GLU A 94 0.100 -0.601 -19.070 1.00 0.00 C ATOM 1489 OE1 GLU A 94 -0.831 -0.419 -19.838 1.00 0.00 O ATOM 1490 OE2 GLU A 94 1.258 -0.746 -19.425 1.00 0.00 O ATOM 0 H GLU A 94 -1.124 0.506 -14.794 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.875 1.649 -17.470 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -2.070 -1.285 -16.688 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -2.241 -0.584 -18.285 1.00 0.00 H new ATOM 0 HG2 GLU A 94 0.339 0.146 -17.056 1.00 0.00 H new ATOM 0 HG3 GLU A 94 0.143 -1.593 -17.150 1.00 0.00 H new ATOM 1497 N LEU A 95 -4.106 1.992 -16.330 1.00 0.00 N ATOM 1498 CA LEU A 95 -5.498 2.082 -15.805 1.00 0.00 C ATOM 1499 C LEU A 95 -6.373 1.015 -16.469 1.00 0.00 C ATOM 1500 O LEU A 95 -6.508 0.972 -17.676 1.00 0.00 O ATOM 1501 CB LEU A 95 -6.067 3.469 -16.108 1.00 0.00 C ATOM 1502 CG LEU A 95 -6.354 4.200 -14.797 1.00 0.00 C ATOM 1503 CD1 LEU A 95 -5.195 5.146 -14.475 1.00 0.00 C ATOM 1504 CD2 LEU A 95 -7.646 5.007 -14.937 1.00 0.00 C ATOM 0 H LEU A 95 -3.770 2.824 -16.815 1.00 0.00 H new ATOM 0 HA LEU A 95 -5.488 1.918 -14.727 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -5.359 4.041 -16.708 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -6.982 3.378 -16.694 1.00 0.00 H new ATOM 0 HG LEU A 95 -6.464 3.473 -13.992 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.400 5.667 -13.540 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.274 4.572 -14.376 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.085 5.873 -15.279 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.852 5.529 -14.003 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.536 5.734 -15.742 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.472 4.334 -15.166 1.00 0.00 H new ATOM 1516 N THR A 96 -6.971 0.156 -15.689 1.00 0.00 N ATOM 1517 CA THR A 96 -7.841 -0.904 -16.270 1.00 0.00 C ATOM 1518 C THR A 96 -9.073 -1.090 -15.382 1.00 0.00 C ATOM 1519 O THR A 96 -9.247 -0.405 -14.394 1.00 0.00 O ATOM 1520 CB THR A 96 -7.061 -2.221 -16.344 1.00 0.00 C ATOM 1521 OG1 THR A 96 -5.988 -2.187 -15.416 1.00 0.00 O ATOM 1522 CG2 THR A 96 -6.511 -2.412 -17.757 1.00 0.00 C ATOM 0 H THR A 96 -6.894 0.143 -14.672 1.00 0.00 H new ATOM 0 HA THR A 96 -8.154 -0.611 -17.272 1.00 0.00 H new ATOM 0 HB THR A 96 -7.725 -3.051 -16.101 1.00 0.00 H new ATOM 0 HG1 THR A 96 -5.489 -3.029 -15.461 1.00 0.00 H new ATOM 0 HG21 THR A 96 -5.957 -3.349 -17.808 1.00 0.00 H new ATOM 0 HG22 THR A 96 -7.337 -2.440 -18.468 1.00 0.00 H new ATOM 0 HG23 THR A 96 -5.847 -1.584 -18.004 1.00 0.00 H new ATOM 1530 N GLY A 97 -9.933 -2.010 -15.727 1.00 0.00 N ATOM 1531 CA GLY A 97 -11.153 -2.234 -14.902 1.00 0.00 C ATOM 1532 C GLY A 97 -12.244 -1.250 -15.324 1.00 0.00 C ATOM 1533 O GLY A 97 -12.284 -0.803 -16.453 1.00 0.00 O ATOM 0 H GLY A 97 -9.843 -2.615 -16.543 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -11.505 -3.258 -15.026 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -10.919 -2.103 -13.845 1.00 0.00 H new ATOM 1537 N PHE A 98 -13.127 -0.908 -14.426 1.00 0.00 N ATOM 1538 CA PHE A 98 -14.215 0.047 -14.774 1.00 0.00 C ATOM 1539 C PHE A 98 -14.783 -0.304 -16.152 1.00 0.00 C ATOM 1540 O PHE A 98 -14.535 0.446 -17.081 1.00 0.00 O ATOM 1541 CB PHE A 98 -13.656 1.470 -14.802 1.00 0.00 C ATOM 1542 CG PHE A 98 -14.758 2.447 -14.472 1.00 0.00 C ATOM 1543 CD1 PHE A 98 -15.460 2.327 -13.266 1.00 0.00 C ATOM 1544 CD2 PHE A 98 -15.079 3.470 -15.372 1.00 0.00 C ATOM 1545 CE1 PHE A 98 -16.484 3.231 -12.961 1.00 0.00 C ATOM 1546 CE2 PHE A 98 -16.104 4.374 -15.066 1.00 0.00 C ATOM 1547 CZ PHE A 98 -16.806 4.255 -13.860 1.00 0.00 C ATOM 1548 OXT PHE A 98 -15.455 -1.317 -16.253 1.00 0.00 O ATOM 0 H PHE A 98 -13.141 -1.250 -13.465 1.00 0.00 H new ATOM 0 HA PHE A 98 -15.006 -0.018 -14.027 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -12.842 1.567 -14.084 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -13.242 1.691 -15.786 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -15.211 1.538 -12.572 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -14.537 3.562 -16.301 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -17.026 3.139 -12.032 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -16.353 5.163 -15.760 1.00 0.00 H new ATOM 0 HZ PHE A 98 -17.596 4.953 -13.623 1.00 0.00 H new TER 1558 PHE A 98