USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 554 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 Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 THR OG1 : rot 68:sc= 0.549 USER MOD Single : A 34 LYS NZ :NH3+ -168:sc= 1.25 (180deg=1.1) USER MOD Single : A 37 GLN : amide:sc= -0.0977 K(o=-0.098,f=-1) USER MOD Single : A 38 ASN : amide:sc= -0.148 X(o=-0.15,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0.0179 X(o=0.018,f=-0.044) USER MOD Single : A 44 SER OG : rot -63:sc= 1.19 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 177:sc= 1.16 (180deg=1.04) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 169:sc= -0.141 (180deg=-0.369) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0656 USER MOD Single : A 65 MET CE :methyl -146:sc= -2.78! (180deg=-5.23!) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.182 F(o=-1.7!,f=-0.18) USER MOD Single : A 69 GLN : amide:sc= -0.0957 K(o=-0.096,f=-1.3) USER MOD Single : A 70 SER OG : rot 77:sc= 0.421 USER MOD Single : A 72 THR OG1 : rot 119:sc= 0.847 USER MOD Single : B 101 SER OG : rot -23:sc= 0.227 USER MOD Single : B 102 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : B 104 LYS NZ :NH3+ 163:sc= -0.0166 (180deg=-0.231) USER MOD Single : B 107 GLN :FLIP amide:sc= -0.128 F(o=-0.64,f=-0.13) USER MOD Single : B 112 SER OG : rot 87:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 20 -12.934 1.270 2.266 1.00 0.00 N ATOM 2 CA GLU A 20 -12.217 0.834 1.079 1.00 0.00 C ATOM 3 C GLU A 20 -13.007 -0.211 0.301 1.00 0.00 C ATOM 4 O GLU A 20 -13.142 -0.116 -0.919 1.00 0.00 O ATOM 5 CB GLU A 20 -10.824 0.271 1.421 1.00 0.00 C ATOM 6 CG GLU A 20 -10.582 -0.125 2.873 1.00 0.00 C ATOM 7 CD GLU A 20 -11.692 -0.943 3.510 1.00 0.00 C ATOM 8 OE1 GLU A 20 -12.348 -0.434 4.442 1.00 0.00 O ATOM 9 OE2 GLU A 20 -11.934 -2.077 3.073 1.00 0.00 O ATOM 0 HA GLU A 20 -12.090 1.720 0.457 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.648 -0.605 0.796 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.078 1.016 1.143 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -9.654 -0.694 2.929 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.436 0.781 3.461 1.00 0.00 H new ATOM 16 N ASN A 21 -13.499 -1.218 1.027 1.00 0.00 N ATOM 17 CA ASN A 21 -14.224 -2.354 0.449 1.00 0.00 C ATOM 18 C ASN A 21 -13.258 -3.277 -0.282 1.00 0.00 C ATOM 19 O ASN A 21 -13.660 -4.309 -0.819 1.00 0.00 O ATOM 20 CB ASN A 21 -15.357 -1.894 -0.479 1.00 0.00 C ATOM 21 CG ASN A 21 -16.457 -1.171 0.271 1.00 0.00 C ATOM 22 OD1 ASN A 21 -16.417 0.046 0.448 1.00 0.00 O ATOM 23 ND2 ASN A 21 -17.442 -1.922 0.730 1.00 0.00 N ATOM 0 H ASN A 21 -13.405 -1.269 2.041 1.00 0.00 H new ATOM 0 HA ASN A 21 -14.686 -2.908 1.266 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -14.950 -1.236 -1.247 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -15.778 -2.759 -0.991 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -18.207 -1.496 1.253 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -17.437 -2.928 0.561 1.00 0.00 H new ATOM 30 N VAL A 22 -11.979 -2.897 -0.242 1.00 0.00 N ATOM 31 CA VAL A 22 -10.865 -3.696 -0.751 1.00 0.00 C ATOM 32 C VAL A 22 -11.180 -4.375 -2.085 1.00 0.00 C ATOM 33 O VAL A 22 -11.495 -5.566 -2.132 1.00 0.00 O ATOM 34 CB VAL A 22 -10.425 -4.766 0.269 1.00 0.00 C ATOM 35 CG1 VAL A 22 -9.087 -5.353 -0.126 1.00 0.00 C ATOM 36 CG2 VAL A 22 -10.347 -4.185 1.671 1.00 0.00 C ATOM 0 H VAL A 22 -11.684 -2.005 0.154 1.00 0.00 H new ATOM 0 HA VAL A 22 -10.051 -2.990 -0.915 1.00 0.00 H new ATOM 0 HB VAL A 22 -11.173 -5.558 0.269 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -8.790 -6.106 0.604 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.168 -5.814 -1.111 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -8.337 -4.562 -0.156 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -10.035 -4.961 2.370 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -9.624 -3.370 1.687 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -11.327 -3.807 1.963 1.00 0.00 H new ATOM 46 N LEU A 23 -11.100 -3.611 -3.161 1.00 0.00 N ATOM 47 CA LEU A 23 -11.250 -4.158 -4.500 1.00 0.00 C ATOM 48 C LEU A 23 -9.880 -4.412 -5.119 1.00 0.00 C ATOM 49 O LEU A 23 -9.168 -3.463 -5.456 1.00 0.00 O ATOM 50 CB LEU A 23 -12.057 -3.211 -5.402 1.00 0.00 C ATOM 51 CG LEU A 23 -13.580 -3.352 -5.332 1.00 0.00 C ATOM 52 CD1 LEU A 23 -13.996 -4.764 -5.710 1.00 0.00 C ATOM 53 CD2 LEU A 23 -14.102 -2.980 -3.952 1.00 0.00 C ATOM 0 H LEU A 23 -10.931 -2.605 -3.134 1.00 0.00 H new ATOM 0 HA LEU A 23 -11.793 -5.099 -4.418 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -11.795 -2.185 -5.144 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -11.744 -3.370 -6.434 1.00 0.00 H new ATOM 0 HG LEU A 23 -14.022 -2.659 -6.048 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -15.081 -4.850 -5.656 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -13.665 -4.981 -6.725 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -13.541 -5.474 -5.020 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -15.186 -3.089 -3.931 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -13.657 -3.637 -3.205 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -13.837 -1.946 -3.729 1.00 0.00 H new ATOM 65 N PRO A 24 -9.487 -5.695 -5.252 1.00 0.00 N ATOM 66 CA PRO A 24 -8.213 -6.081 -5.879 1.00 0.00 C ATOM 67 C PRO A 24 -8.146 -5.641 -7.338 1.00 0.00 C ATOM 68 O PRO A 24 -8.430 -6.414 -8.255 1.00 0.00 O ATOM 69 CB PRO A 24 -8.198 -7.612 -5.772 1.00 0.00 C ATOM 70 CG PRO A 24 -9.624 -7.998 -5.565 1.00 0.00 C ATOM 71 CD PRO A 24 -10.247 -6.871 -4.797 1.00 0.00 C ATOM 0 HA PRO A 24 -7.358 -5.611 -5.394 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -7.793 -8.067 -6.676 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -7.575 -7.944 -4.942 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.130 -8.148 -6.518 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.699 -8.935 -5.013 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -11.310 -6.773 -5.016 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -10.156 -7.018 -3.721 1.00 0.00 H new ATOM 79 N ARG A 25 -7.775 -4.389 -7.542 1.00 0.00 N ATOM 80 CA ARG A 25 -7.744 -3.795 -8.863 1.00 0.00 C ATOM 81 C ARG A 25 -6.314 -3.668 -9.359 1.00 0.00 C ATOM 82 O ARG A 25 -5.427 -3.208 -8.640 1.00 0.00 O ATOM 83 CB ARG A 25 -8.414 -2.424 -8.820 1.00 0.00 C ATOM 84 CG ARG A 25 -9.891 -2.487 -8.469 1.00 0.00 C ATOM 85 CD ARG A 25 -10.470 -1.104 -8.240 1.00 0.00 C ATOM 86 NE ARG A 25 -9.857 -0.434 -7.091 1.00 0.00 N ATOM 87 CZ ARG A 25 -9.977 0.869 -6.843 1.00 0.00 C ATOM 88 NH1 ARG A 25 -10.721 1.633 -7.632 1.00 0.00 N ATOM 89 NH2 ARG A 25 -9.369 1.409 -5.790 1.00 0.00 N ATOM 0 H ARG A 25 -7.487 -3.757 -6.795 1.00 0.00 H new ATOM 0 HA ARG A 25 -8.287 -4.440 -9.555 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -7.900 -1.799 -8.089 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -8.299 -1.940 -9.790 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -10.436 -2.982 -9.273 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -10.027 -3.092 -7.573 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -10.323 -0.497 -9.134 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -11.546 -1.183 -8.082 1.00 0.00 H new ATOM 0 HE ARG A 25 -9.306 -0.998 -6.443 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -11.203 1.223 -8.432 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -10.811 2.631 -7.439 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.809 0.825 -5.170 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -9.463 2.407 -5.603 1.00 0.00 H new ATOM 103 N GLU A 26 -6.114 -4.072 -10.602 1.00 0.00 N ATOM 104 CA GLU A 26 -4.801 -4.065 -11.231 1.00 0.00 C ATOM 105 C GLU A 26 -4.248 -2.644 -11.409 1.00 0.00 C ATOM 106 O GLU A 26 -3.074 -2.407 -11.123 1.00 0.00 O ATOM 107 CB GLU A 26 -4.868 -4.789 -12.576 1.00 0.00 C ATOM 108 CG GLU A 26 -5.232 -6.259 -12.445 1.00 0.00 C ATOM 109 CD GLU A 26 -5.464 -6.924 -13.784 1.00 0.00 C ATOM 110 OE1 GLU A 26 -6.637 -7.101 -14.169 1.00 0.00 O ATOM 111 OE2 GLU A 26 -4.470 -7.277 -14.453 1.00 0.00 O ATOM 0 H GLU A 26 -6.860 -4.416 -11.207 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.113 -4.591 -10.569 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.602 -4.294 -13.212 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -3.904 -4.703 -13.077 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.434 -6.781 -11.918 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.131 -6.354 -11.836 1.00 0.00 H new ATOM 118 N PRO A 27 -5.061 -1.669 -11.893 1.00 0.00 N ATOM 119 CA PRO A 27 -4.623 -0.271 -11.992 1.00 0.00 C ATOM 120 C PRO A 27 -4.303 0.333 -10.627 1.00 0.00 C ATOM 121 O PRO A 27 -3.537 1.293 -10.522 1.00 0.00 O ATOM 122 CB PRO A 27 -5.815 0.451 -12.634 1.00 0.00 C ATOM 123 CG PRO A 27 -6.978 -0.445 -12.425 1.00 0.00 C ATOM 124 CD PRO A 27 -6.429 -1.841 -12.420 1.00 0.00 C ATOM 0 HA PRO A 27 -3.703 -0.180 -12.569 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -5.981 1.424 -12.171 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -5.642 0.628 -13.695 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.480 -0.220 -11.484 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -7.715 -0.319 -13.218 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.022 -2.504 -11.790 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -6.423 -2.274 -13.420 1.00 0.00 H new ATOM 132 N LEU A 28 -4.881 -0.245 -9.579 1.00 0.00 N ATOM 133 CA LEU A 28 -4.635 0.225 -8.224 1.00 0.00 C ATOM 134 C LEU A 28 -3.223 -0.147 -7.795 1.00 0.00 C ATOM 135 O LEU A 28 -2.572 0.589 -7.053 1.00 0.00 O ATOM 136 CB LEU A 28 -5.662 -0.359 -7.252 1.00 0.00 C ATOM 137 CG LEU A 28 -5.602 0.193 -5.827 1.00 0.00 C ATOM 138 CD1 LEU A 28 -5.867 1.689 -5.819 1.00 0.00 C ATOM 139 CD2 LEU A 28 -6.601 -0.526 -4.938 1.00 0.00 C ATOM 0 H LEU A 28 -5.521 -1.037 -9.643 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.735 1.310 -8.208 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.660 -0.179 -7.652 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.526 -1.440 -7.211 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.600 0.020 -5.435 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.820 2.061 -4.796 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.115 2.195 -6.424 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.857 1.885 -6.231 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.546 -0.122 -3.927 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.607 -0.383 -5.332 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.368 -1.591 -4.916 1.00 0.00 H new ATOM 151 N ILE A 29 -2.746 -1.286 -8.281 1.00 0.00 N ATOM 152 CA ILE A 29 -1.370 -1.697 -8.043 1.00 0.00 C ATOM 153 C ILE A 29 -0.420 -0.678 -8.663 1.00 0.00 C ATOM 154 O ILE A 29 0.536 -0.237 -8.028 1.00 0.00 O ATOM 155 CB ILE A 29 -1.082 -3.100 -8.626 1.00 0.00 C ATOM 156 CG1 ILE A 29 -2.008 -4.137 -7.978 1.00 0.00 C ATOM 157 CG2 ILE A 29 0.379 -3.482 -8.419 1.00 0.00 C ATOM 158 CD1 ILE A 29 -1.819 -5.547 -8.502 1.00 0.00 C ATOM 0 H ILE A 29 -3.292 -1.940 -8.842 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.215 -1.746 -6.965 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.275 -3.078 -9.698 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.841 -4.135 -6.901 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.043 -3.836 -8.140 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.559 -4.473 -8.837 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.019 -2.755 -8.919 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.605 -3.492 -7.353 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.510 -6.220 -7.994 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.016 -5.566 -9.574 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.795 -5.870 -8.315 1.00 0.00 H new ATOM 170 N ALA A 30 -0.719 -0.278 -9.897 1.00 0.00 N ATOM 171 CA ALA A 30 0.068 0.739 -10.591 1.00 0.00 C ATOM 172 C ALA A 30 -0.019 2.079 -9.861 1.00 0.00 C ATOM 173 O ALA A 30 0.904 2.891 -9.914 1.00 0.00 O ATOM 174 CB ALA A 30 -0.403 0.884 -12.031 1.00 0.00 C ATOM 0 H ALA A 30 -1.503 -0.644 -10.438 1.00 0.00 H new ATOM 0 HA ALA A 30 1.111 0.421 -10.598 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.193 1.645 -12.534 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.288 -0.068 -12.549 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.452 1.179 -12.043 1.00 0.00 H new ATOM 180 N THR A 31 -1.142 2.301 -9.189 1.00 0.00 N ATOM 181 CA THR A 31 -1.319 3.476 -8.349 1.00 0.00 C ATOM 182 C THR A 31 -0.377 3.421 -7.149 1.00 0.00 C ATOM 183 O THR A 31 0.257 4.417 -6.794 1.00 0.00 O ATOM 184 CB THR A 31 -2.775 3.583 -7.853 1.00 0.00 C ATOM 185 OG1 THR A 31 -3.659 3.812 -8.959 1.00 0.00 O ATOM 186 CG2 THR A 31 -2.920 4.700 -6.834 1.00 0.00 C ATOM 0 H THR A 31 -1.948 1.677 -9.211 1.00 0.00 H new ATOM 0 HA THR A 31 -1.086 4.354 -8.951 1.00 0.00 H new ATOM 0 HB THR A 31 -3.040 2.642 -7.372 1.00 0.00 H new ATOM 0 HG1 THR A 31 -3.688 3.013 -9.525 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.956 4.755 -6.500 1.00 0.00 H new ATOM 0 HG22 THR A 31 -2.273 4.500 -5.980 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.635 5.648 -7.290 1.00 0.00 H new ATOM 194 N ALA A 32 -0.283 2.244 -6.538 1.00 0.00 N ATOM 195 CA ALA A 32 0.596 2.035 -5.395 1.00 0.00 C ATOM 196 C ALA A 32 2.050 2.258 -5.790 1.00 0.00 C ATOM 197 O ALA A 32 2.796 2.926 -5.082 1.00 0.00 O ATOM 198 CB ALA A 32 0.408 0.636 -4.822 1.00 0.00 C ATOM 0 H ALA A 32 -0.809 1.416 -6.819 1.00 0.00 H new ATOM 0 HA ALA A 32 0.333 2.760 -4.625 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.073 0.500 -3.969 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -0.626 0.511 -4.499 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.642 -0.105 -5.587 1.00 0.00 H new ATOM 204 N VAL A 33 2.439 1.714 -6.935 1.00 0.00 N ATOM 205 CA VAL A 33 3.795 1.880 -7.443 1.00 0.00 C ATOM 206 C VAL A 33 4.091 3.363 -7.696 1.00 0.00 C ATOM 207 O VAL A 33 5.162 3.863 -7.343 1.00 0.00 O ATOM 208 CB VAL A 33 4.005 1.074 -8.745 1.00 0.00 C ATOM 209 CG1 VAL A 33 5.448 1.152 -9.208 1.00 0.00 C ATOM 210 CG2 VAL A 33 3.591 -0.377 -8.557 1.00 0.00 C ATOM 0 H VAL A 33 1.833 1.152 -7.532 1.00 0.00 H new ATOM 0 HA VAL A 33 4.484 1.500 -6.688 1.00 0.00 H new ATOM 0 HB VAL A 33 3.373 1.518 -9.514 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.567 0.576 -10.126 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.714 2.192 -9.395 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.100 0.744 -8.436 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.748 -0.924 -9.487 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.191 -0.827 -7.766 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.537 -0.422 -8.283 1.00 0.00 H new ATOM 220 N LYS A 34 3.124 4.061 -8.299 1.00 0.00 N ATOM 221 CA LYS A 34 3.212 5.509 -8.505 1.00 0.00 C ATOM 222 C LYS A 34 3.503 6.214 -7.189 1.00 0.00 C ATOM 223 O LYS A 34 4.424 7.025 -7.087 1.00 0.00 O ATOM 224 CB LYS A 34 1.895 6.031 -9.110 1.00 0.00 C ATOM 225 CG LYS A 34 1.760 7.554 -9.153 1.00 0.00 C ATOM 226 CD LYS A 34 1.171 8.133 -7.862 1.00 0.00 C ATOM 227 CE LYS A 34 -0.246 7.640 -7.609 1.00 0.00 C ATOM 228 NZ LYS A 34 -1.234 8.230 -8.555 1.00 0.00 N ATOM 0 H LYS A 34 2.265 3.642 -8.655 1.00 0.00 H new ATOM 0 HA LYS A 34 4.028 5.719 -9.196 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.801 5.645 -10.125 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.063 5.624 -8.536 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.740 7.997 -9.331 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.126 7.835 -9.994 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.806 7.859 -7.019 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.171 9.221 -7.920 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.270 6.554 -7.695 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.535 7.885 -6.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.198 8.028 -8.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.094 9.259 -8.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.101 7.815 -9.499 1.00 0.00 H new ATOM 242 N PHE A 35 2.693 5.889 -6.195 1.00 0.00 N ATOM 243 CA PHE A 35 2.833 6.434 -4.859 1.00 0.00 C ATOM 244 C PHE A 35 4.238 6.168 -4.319 1.00 0.00 C ATOM 245 O PHE A 35 4.945 7.084 -3.905 1.00 0.00 O ATOM 246 CB PHE A 35 1.779 5.791 -3.970 1.00 0.00 C ATOM 247 CG PHE A 35 1.792 6.283 -2.567 1.00 0.00 C ATOM 248 CD1 PHE A 35 1.319 7.544 -2.261 1.00 0.00 C ATOM 249 CD2 PHE A 35 2.284 5.487 -1.554 1.00 0.00 C ATOM 250 CE1 PHE A 35 1.339 8.007 -0.966 1.00 0.00 C ATOM 251 CE2 PHE A 35 2.307 5.938 -0.260 1.00 0.00 C ATOM 252 CZ PHE A 35 1.801 7.187 0.047 1.00 0.00 C ATOM 0 H PHE A 35 1.916 5.236 -6.295 1.00 0.00 H new ATOM 0 HA PHE A 35 2.689 7.514 -4.877 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.794 5.975 -4.400 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.930 4.711 -3.967 1.00 0.00 H new ATOM 0 HD1 PHE A 35 0.929 8.173 -3.047 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.655 4.499 -1.783 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.996 9.006 -0.741 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.721 5.317 0.521 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.767 7.521 1.073 1.00 0.00 H new ATOM 262 N LEU A 36 4.636 4.907 -4.381 1.00 0.00 N ATOM 263 CA LEU A 36 5.912 4.443 -3.843 1.00 0.00 C ATOM 264 C LEU A 36 7.117 5.161 -4.450 1.00 0.00 C ATOM 265 O LEU A 36 7.968 5.680 -3.725 1.00 0.00 O ATOM 266 CB LEU A 36 6.052 2.943 -4.093 1.00 0.00 C ATOM 267 CG LEU A 36 5.552 2.018 -2.978 1.00 0.00 C ATOM 268 CD1 LEU A 36 4.197 2.457 -2.446 1.00 0.00 C ATOM 269 CD2 LEU A 36 5.472 0.594 -3.499 1.00 0.00 C ATOM 0 H LEU A 36 4.080 4.167 -4.810 1.00 0.00 H new ATOM 0 HA LEU A 36 5.905 4.667 -2.776 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.514 2.697 -5.008 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.104 2.723 -4.273 1.00 0.00 H new ATOM 0 HG LEU A 36 6.260 2.070 -2.151 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.878 1.776 -1.657 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.274 3.467 -2.044 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.467 2.443 -3.255 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.116 -0.064 -2.706 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.782 0.553 -4.341 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.461 0.269 -3.824 1.00 0.00 H new ATOM 281 N GLN A 37 7.182 5.196 -5.773 1.00 0.00 N ATOM 282 CA GLN A 37 8.397 5.611 -6.472 1.00 0.00 C ATOM 283 C GLN A 37 8.569 7.128 -6.531 1.00 0.00 C ATOM 284 O GLN A 37 9.102 7.665 -7.500 1.00 0.00 O ATOM 285 CB GLN A 37 8.422 5.010 -7.871 1.00 0.00 C ATOM 286 CG GLN A 37 8.466 3.495 -7.846 1.00 0.00 C ATOM 287 CD GLN A 37 8.399 2.878 -9.229 1.00 0.00 C ATOM 288 OE1 GLN A 37 7.799 3.438 -10.148 1.00 0.00 O ATOM 289 NE2 GLN A 37 9.019 1.720 -9.386 1.00 0.00 N ATOM 0 H GLN A 37 6.409 4.942 -6.388 1.00 0.00 H new ATOM 0 HA GLN A 37 9.241 5.233 -5.896 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.539 5.337 -8.420 1.00 0.00 H new ATOM 0 HB3 GLN A 37 9.290 5.388 -8.411 1.00 0.00 H new ATOM 0 HG2 GLN A 37 9.383 3.172 -7.354 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.635 3.123 -7.247 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.504 1.290 -8.598 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.012 1.257 -10.295 1.00 0.00 H new ATOM 298 N ASN A 38 8.138 7.808 -5.481 1.00 0.00 N ATOM 299 CA ASN A 38 8.452 9.217 -5.304 1.00 0.00 C ATOM 300 C ASN A 38 9.594 9.357 -4.304 1.00 0.00 C ATOM 301 O ASN A 38 9.684 10.344 -3.569 1.00 0.00 O ATOM 302 CB ASN A 38 7.225 10.011 -4.844 1.00 0.00 C ATOM 303 CG ASN A 38 6.366 10.474 -6.005 1.00 0.00 C ATOM 304 OD1 ASN A 38 6.579 11.553 -6.555 1.00 0.00 O ATOM 305 ND2 ASN A 38 5.392 9.665 -6.391 1.00 0.00 N ATOM 0 H ASN A 38 7.568 7.406 -4.736 1.00 0.00 H new ATOM 0 HA ASN A 38 8.760 9.630 -6.265 1.00 0.00 H new ATOM 0 HB2 ASN A 38 6.625 9.393 -4.176 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.551 10.878 -4.269 1.00 0.00 H new ATOM 0 HD21 ASN A 38 4.788 9.929 -7.169 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.246 8.777 -5.910 1.00 0.00 H new ATOM 312 N SER A 39 10.440 8.322 -4.276 1.00 0.00 N ATOM 313 CA SER A 39 11.647 8.275 -3.450 1.00 0.00 C ATOM 314 C SER A 39 11.322 8.096 -1.968 1.00 0.00 C ATOM 315 O SER A 39 11.622 7.050 -1.389 1.00 0.00 O ATOM 316 CB SER A 39 12.510 9.519 -3.683 1.00 0.00 C ATOM 317 OG SER A 39 12.885 9.619 -5.049 1.00 0.00 O ATOM 0 H SER A 39 10.302 7.481 -4.836 1.00 0.00 H new ATOM 0 HA SER A 39 12.219 7.399 -3.756 1.00 0.00 H new ATOM 0 HB2 SER A 39 11.959 10.411 -3.385 1.00 0.00 H new ATOM 0 HB3 SER A 39 13.402 9.472 -3.058 1.00 0.00 H new ATOM 0 HG SER A 39 13.434 10.420 -5.180 1.00 0.00 H new ATOM 323 N ARG A 40 10.680 9.093 -1.369 1.00 0.00 N ATOM 324 CA ARG A 40 10.399 9.080 0.066 1.00 0.00 C ATOM 325 C ARG A 40 9.603 7.853 0.485 1.00 0.00 C ATOM 326 O ARG A 40 9.915 7.220 1.489 1.00 0.00 O ATOM 327 CB ARG A 40 9.634 10.332 0.488 1.00 0.00 C ATOM 328 CG ARG A 40 10.470 11.600 0.516 1.00 0.00 C ATOM 329 CD ARG A 40 9.806 12.661 1.377 1.00 0.00 C ATOM 330 NE ARG A 40 9.535 12.158 2.725 1.00 0.00 N ATOM 331 CZ ARG A 40 8.481 12.509 3.460 1.00 0.00 C ATOM 332 NH1 ARG A 40 7.608 13.403 3.009 1.00 0.00 N ATOM 333 NH2 ARG A 40 8.300 11.955 4.651 1.00 0.00 N ATOM 0 H ARG A 40 10.343 9.924 -1.855 1.00 0.00 H new ATOM 0 HA ARG A 40 11.367 9.054 0.566 1.00 0.00 H new ATOM 0 HB2 ARG A 40 8.797 10.479 -0.195 1.00 0.00 H new ATOM 0 HB3 ARG A 40 9.212 10.168 1.479 1.00 0.00 H new ATOM 0 HG2 ARG A 40 11.464 11.378 0.905 1.00 0.00 H new ATOM 0 HG3 ARG A 40 10.602 11.977 -0.498 1.00 0.00 H new ATOM 0 HD2 ARG A 40 10.449 13.539 1.436 1.00 0.00 H new ATOM 0 HD3 ARG A 40 8.874 12.980 0.911 1.00 0.00 H new ATOM 0 HE ARG A 40 10.197 11.495 3.128 1.00 0.00 H new ATOM 0 HH11 ARG A 40 7.741 13.828 2.091 1.00 0.00 H new ATOM 0 HH12 ARG A 40 6.804 13.664 3.580 1.00 0.00 H new ATOM 0 HH21 ARG A 40 8.966 11.265 4.999 1.00 0.00 H new ATOM 0 HH22 ARG A 40 7.495 12.219 5.219 1.00 0.00 H new ATOM 347 N VAL A 41 8.582 7.516 -0.292 1.00 0.00 N ATOM 348 CA VAL A 41 7.675 6.437 0.074 1.00 0.00 C ATOM 349 C VAL A 41 8.396 5.099 0.171 1.00 0.00 C ATOM 350 O VAL A 41 8.130 4.310 1.075 1.00 0.00 O ATOM 351 CB VAL A 41 6.503 6.315 -0.914 1.00 0.00 C ATOM 352 CG1 VAL A 41 5.542 5.230 -0.454 1.00 0.00 C ATOM 353 CG2 VAL A 41 5.786 7.649 -1.043 1.00 0.00 C ATOM 0 H VAL A 41 8.362 7.973 -1.177 1.00 0.00 H new ATOM 0 HA VAL A 41 7.280 6.694 1.057 1.00 0.00 H new ATOM 0 HB VAL A 41 6.892 6.038 -1.894 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.716 5.152 -1.161 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.067 4.276 -0.403 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.153 5.483 0.532 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.958 7.551 -1.745 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.402 7.951 -0.069 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.483 8.403 -1.408 1.00 0.00 H new ATOM 363 N ARG A 42 9.328 4.848 -0.737 1.00 0.00 N ATOM 364 CA ARG A 42 10.046 3.577 -0.742 1.00 0.00 C ATOM 365 C ARG A 42 10.995 3.482 0.450 1.00 0.00 C ATOM 366 O ARG A 42 11.504 2.408 0.764 1.00 0.00 O ATOM 367 CB ARG A 42 10.819 3.385 -2.053 1.00 0.00 C ATOM 368 CG ARG A 42 9.925 3.372 -3.282 1.00 0.00 C ATOM 369 CD ARG A 42 10.596 2.708 -4.474 1.00 0.00 C ATOM 370 NE ARG A 42 11.780 3.430 -4.930 1.00 0.00 N ATOM 371 CZ ARG A 42 12.638 2.955 -5.833 1.00 0.00 C ATOM 372 NH1 ARG A 42 12.494 1.725 -6.321 1.00 0.00 N ATOM 373 NH2 ARG A 42 13.650 3.707 -6.236 1.00 0.00 N ATOM 0 H ARG A 42 9.604 5.498 -1.473 1.00 0.00 H new ATOM 0 HA ARG A 42 9.307 2.780 -0.660 1.00 0.00 H new ATOM 0 HB2 ARG A 42 11.553 4.185 -2.154 1.00 0.00 H new ATOM 0 HB3 ARG A 42 11.374 2.448 -2.006 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.999 2.847 -3.050 1.00 0.00 H new ATOM 0 HG3 ARG A 42 9.654 4.395 -3.543 1.00 0.00 H new ATOM 0 HD2 ARG A 42 10.878 1.690 -4.206 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.882 2.636 -5.294 1.00 0.00 H new ATOM 0 HE ARG A 42 11.962 4.352 -4.534 1.00 0.00 H new ATOM 0 HH11 ARG A 42 11.722 1.138 -6.004 1.00 0.00 H new ATOM 0 HH12 ARG A 42 13.155 1.370 -7.012 1.00 0.00 H new ATOM 0 HH21 ARG A 42 13.771 4.646 -5.856 1.00 0.00 H new ATOM 0 HH22 ARG A 42 14.309 3.348 -6.927 1.00 0.00 H new ATOM 387 N GLN A 43 11.220 4.608 1.112 1.00 0.00 N ATOM 388 CA GLN A 43 12.089 4.654 2.279 1.00 0.00 C ATOM 389 C GLN A 43 11.309 5.030 3.540 1.00 0.00 C ATOM 390 O GLN A 43 11.900 5.274 4.594 1.00 0.00 O ATOM 391 CB GLN A 43 13.229 5.646 2.046 1.00 0.00 C ATOM 392 CG GLN A 43 14.188 5.217 0.947 1.00 0.00 C ATOM 393 CD GLN A 43 15.023 4.011 1.335 1.00 0.00 C ATOM 394 OE1 GLN A 43 16.124 4.150 1.873 1.00 0.00 O ATOM 395 NE2 GLN A 43 14.503 2.819 1.077 1.00 0.00 N ATOM 0 H GLN A 43 10.810 5.507 0.859 1.00 0.00 H new ATOM 0 HA GLN A 43 12.506 3.658 2.429 1.00 0.00 H new ATOM 0 HB2 GLN A 43 12.808 6.619 1.791 1.00 0.00 H new ATOM 0 HB3 GLN A 43 13.786 5.773 2.975 1.00 0.00 H new ATOM 0 HG2 GLN A 43 13.621 4.986 0.045 1.00 0.00 H new ATOM 0 HG3 GLN A 43 14.849 6.048 0.703 1.00 0.00 H new ATOM 0 HE21 GLN A 43 13.589 2.747 0.630 1.00 0.00 H new ATOM 0 HE22 GLN A 43 15.017 1.974 1.325 1.00 0.00 H new ATOM 404 N SER A 44 9.985 5.075 3.431 1.00 0.00 N ATOM 405 CA SER A 44 9.139 5.409 4.572 1.00 0.00 C ATOM 406 C SER A 44 8.813 4.144 5.369 1.00 0.00 C ATOM 407 O SER A 44 8.848 3.042 4.822 1.00 0.00 O ATOM 408 CB SER A 44 7.848 6.094 4.099 1.00 0.00 C ATOM 409 OG SER A 44 7.059 5.224 3.308 1.00 0.00 O ATOM 0 H SER A 44 9.476 4.885 2.568 1.00 0.00 H new ATOM 0 HA SER A 44 9.677 6.102 5.219 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.272 6.424 4.964 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.098 6.985 3.523 1.00 0.00 H new ATOM 0 HG SER A 44 7.552 4.983 2.496 1.00 0.00 H new ATOM 415 N PRO A 45 8.509 4.286 6.672 1.00 0.00 N ATOM 416 CA PRO A 45 8.208 3.147 7.549 1.00 0.00 C ATOM 417 C PRO A 45 7.181 2.189 6.952 1.00 0.00 C ATOM 418 O PRO A 45 6.025 2.559 6.714 1.00 0.00 O ATOM 419 CB PRO A 45 7.649 3.814 8.806 1.00 0.00 C ATOM 420 CG PRO A 45 8.294 5.154 8.836 1.00 0.00 C ATOM 421 CD PRO A 45 8.449 5.570 7.399 1.00 0.00 C ATOM 0 HA PRO A 45 9.089 2.530 7.725 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.563 3.897 8.761 1.00 0.00 H new ATOM 0 HB3 PRO A 45 7.888 3.238 9.700 1.00 0.00 H new ATOM 0 HG2 PRO A 45 7.682 5.869 9.386 1.00 0.00 H new ATOM 0 HG3 PRO A 45 9.261 5.111 9.336 1.00 0.00 H new ATOM 0 HD2 PRO A 45 7.610 6.181 7.066 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.353 6.160 7.247 1.00 0.00 H new ATOM 429 N LEU A 46 7.618 0.957 6.706 1.00 0.00 N ATOM 430 CA LEU A 46 6.750 -0.096 6.186 1.00 0.00 C ATOM 431 C LEU A 46 5.564 -0.342 7.108 1.00 0.00 C ATOM 432 O LEU A 46 4.504 -0.757 6.654 1.00 0.00 O ATOM 433 CB LEU A 46 7.539 -1.396 5.990 1.00 0.00 C ATOM 434 CG LEU A 46 8.342 -1.483 4.691 1.00 0.00 C ATOM 435 CD1 LEU A 46 9.306 -2.658 4.738 1.00 0.00 C ATOM 436 CD2 LEU A 46 7.405 -1.624 3.501 1.00 0.00 C ATOM 0 H LEU A 46 8.582 0.661 6.861 1.00 0.00 H new ATOM 0 HA LEU A 46 6.368 0.238 5.221 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.223 -1.517 6.830 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.842 -2.233 6.024 1.00 0.00 H new ATOM 0 HG LEU A 46 8.918 -0.564 4.580 1.00 0.00 H new ATOM 0 HD11 LEU A 46 9.869 -2.704 3.806 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.996 -2.530 5.572 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.745 -3.583 4.870 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.989 -1.685 2.583 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.809 -2.530 3.612 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.744 -0.758 3.454 1.00 0.00 H new ATOM 448 N ALA A 47 5.748 -0.071 8.399 1.00 0.00 N ATOM 449 CA ALA A 47 4.673 -0.215 9.378 1.00 0.00 C ATOM 450 C ALA A 47 3.444 0.592 8.958 1.00 0.00 C ATOM 451 O ALA A 47 2.312 0.117 9.053 1.00 0.00 O ATOM 452 CB ALA A 47 5.153 0.214 10.759 1.00 0.00 C ATOM 0 H ALA A 47 6.633 0.250 8.791 1.00 0.00 H new ATOM 0 HA ALA A 47 4.387 -1.266 9.422 1.00 0.00 H new ATOM 0 HB1 ALA A 47 4.341 0.101 11.478 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.995 -0.409 11.061 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.467 1.257 10.727 1.00 0.00 H new ATOM 458 N THR A 48 3.676 1.808 8.477 1.00 0.00 N ATOM 459 CA THR A 48 2.599 2.634 7.957 1.00 0.00 C ATOM 460 C THR A 48 2.087 2.064 6.642 1.00 0.00 C ATOM 461 O THR A 48 0.890 1.851 6.474 1.00 0.00 O ATOM 462 CB THR A 48 3.060 4.090 7.729 1.00 0.00 C ATOM 463 OG1 THR A 48 3.473 4.672 8.973 1.00 0.00 O ATOM 464 CG2 THR A 48 1.947 4.930 7.098 1.00 0.00 C ATOM 0 H THR A 48 4.599 2.241 8.437 1.00 0.00 H new ATOM 0 HA THR A 48 1.801 2.634 8.699 1.00 0.00 H new ATOM 0 HB THR A 48 3.904 4.077 7.039 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.766 5.595 8.821 1.00 0.00 H new ATOM 0 HG21 THR A 48 2.301 5.950 6.949 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.667 4.499 6.137 1.00 0.00 H new ATOM 0 HG23 THR A 48 1.080 4.939 7.758 1.00 0.00 H new ATOM 472 N ARG A 49 3.015 1.780 5.735 1.00 0.00 N ATOM 473 CA ARG A 49 2.675 1.368 4.379 1.00 0.00 C ATOM 474 C ARG A 49 1.887 0.052 4.345 1.00 0.00 C ATOM 475 O ARG A 49 1.117 -0.180 3.418 1.00 0.00 O ATOM 476 CB ARG A 49 3.943 1.273 3.519 1.00 0.00 C ATOM 477 CG ARG A 49 4.535 2.631 3.162 1.00 0.00 C ATOM 478 CD ARG A 49 5.708 2.511 2.195 1.00 0.00 C ATOM 479 NE ARG A 49 6.953 2.109 2.854 1.00 0.00 N ATOM 480 CZ ARG A 49 7.932 1.424 2.254 1.00 0.00 C ATOM 481 NH1 ARG A 49 7.769 0.967 1.017 1.00 0.00 N ATOM 482 NH2 ARG A 49 9.071 1.192 2.894 1.00 0.00 N ATOM 0 H ARG A 49 4.017 1.828 5.917 1.00 0.00 H new ATOM 0 HA ARG A 49 2.020 2.133 3.961 1.00 0.00 H new ATOM 0 HB2 ARG A 49 4.692 0.687 4.052 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.711 0.733 2.601 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.762 3.257 2.717 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.866 3.132 4.072 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.461 1.784 1.421 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.860 3.468 1.696 1.00 0.00 H new ATOM 0 HE ARG A 49 7.081 2.368 3.832 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.894 1.138 0.521 1.00 0.00 H new ATOM 0 HH12 ARG A 49 8.519 0.445 0.563 1.00 0.00 H new ATOM 0 HH21 ARG A 49 9.201 1.536 3.845 1.00 0.00 H new ATOM 0 HH22 ARG A 49 9.817 0.669 2.435 1.00 0.00 H new ATOM 496 N ARG A 50 2.063 -0.798 5.356 1.00 0.00 N ATOM 497 CA ARG A 50 1.291 -2.039 5.451 1.00 0.00 C ATOM 498 C ARG A 50 -0.204 -1.736 5.559 1.00 0.00 C ATOM 499 O ARG A 50 -0.991 -2.099 4.678 1.00 0.00 O ATOM 500 CB ARG A 50 1.733 -2.866 6.667 1.00 0.00 C ATOM 501 CG ARG A 50 3.132 -3.453 6.551 1.00 0.00 C ATOM 502 CD ARG A 50 3.202 -4.556 5.511 1.00 0.00 C ATOM 503 NE ARG A 50 2.523 -5.777 5.944 1.00 0.00 N ATOM 504 CZ ARG A 50 2.484 -6.899 5.224 1.00 0.00 C ATOM 505 NH1 ARG A 50 3.091 -6.954 4.042 1.00 0.00 N ATOM 506 NH2 ARG A 50 1.838 -7.962 5.682 1.00 0.00 N ATOM 0 H ARG A 50 2.728 -0.653 6.116 1.00 0.00 H new ATOM 0 HA ARG A 50 1.476 -2.615 4.544 1.00 0.00 H new ATOM 0 HB2 ARG A 50 1.689 -2.236 7.555 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.022 -3.679 6.817 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.836 -2.663 6.289 1.00 0.00 H new ATOM 0 HG3 ARG A 50 3.441 -3.847 7.519 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.753 -4.204 4.582 1.00 0.00 H new ATOM 0 HD3 ARG A 50 4.246 -4.782 5.295 1.00 0.00 H new ATOM 0 HE ARG A 50 2.052 -5.770 6.849 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.587 -6.137 3.685 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.060 -7.813 3.492 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.369 -7.923 6.587 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.810 -8.819 5.129 1.00 0.00 H new ATOM 520 N ALA A 51 -0.584 -1.041 6.626 1.00 0.00 N ATOM 521 CA ALA A 51 -1.980 -0.687 6.853 1.00 0.00 C ATOM 522 C ALA A 51 -2.452 0.294 5.792 1.00 0.00 C ATOM 523 O ALA A 51 -3.618 0.286 5.391 1.00 0.00 O ATOM 524 CB ALA A 51 -2.156 -0.096 8.243 1.00 0.00 C ATOM 0 H ALA A 51 0.057 -0.711 7.348 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.586 -1.590 6.784 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.203 0.163 8.398 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.849 -0.827 8.991 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.542 0.800 8.338 1.00 0.00 H new ATOM 530 N PHE A 52 -1.528 1.126 5.336 1.00 0.00 N ATOM 531 CA PHE A 52 -1.796 2.088 4.282 1.00 0.00 C ATOM 532 C PHE A 52 -2.354 1.396 3.045 1.00 0.00 C ATOM 533 O PHE A 52 -3.447 1.738 2.592 1.00 0.00 O ATOM 534 CB PHE A 52 -0.516 2.856 3.942 1.00 0.00 C ATOM 535 CG PHE A 52 -0.675 3.826 2.824 1.00 0.00 C ATOM 536 CD1 PHE A 52 -0.265 3.500 1.548 1.00 0.00 C ATOM 537 CD2 PHE A 52 -1.252 5.060 3.053 1.00 0.00 C ATOM 538 CE1 PHE A 52 -0.431 4.391 0.514 1.00 0.00 C ATOM 539 CE2 PHE A 52 -1.414 5.956 2.026 1.00 0.00 C ATOM 540 CZ PHE A 52 -0.928 5.626 0.750 1.00 0.00 C ATOM 0 H PHE A 52 -0.571 1.152 5.688 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.547 2.794 4.636 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.178 3.391 4.829 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.266 2.143 3.683 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.189 2.539 1.360 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.578 5.322 4.049 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.163 4.103 -0.492 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.908 6.901 2.196 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.951 6.359 -0.043 1.00 0.00 H new ATOM 550 N LEU A 53 -1.624 0.408 2.520 1.00 0.00 N ATOM 551 CA LEU A 53 -2.047 -0.293 1.307 1.00 0.00 C ATOM 552 C LEU A 53 -3.406 -0.956 1.504 1.00 0.00 C ATOM 553 O LEU A 53 -4.280 -0.856 0.643 1.00 0.00 O ATOM 554 CB LEU A 53 -1.031 -1.359 0.879 1.00 0.00 C ATOM 555 CG LEU A 53 0.392 -0.876 0.579 1.00 0.00 C ATOM 556 CD1 LEU A 53 1.164 -1.957 -0.146 1.00 0.00 C ATOM 557 CD2 LEU A 53 0.402 0.397 -0.245 1.00 0.00 C ATOM 0 H LEU A 53 -0.743 0.078 2.914 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.117 0.460 0.522 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.976 -2.111 1.666 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.416 -1.857 -0.011 1.00 0.00 H new ATOM 0 HG LEU A 53 0.868 -0.656 1.535 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.174 -1.605 -0.355 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.213 -2.850 0.478 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.662 -2.196 -1.083 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.432 0.701 -0.433 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.103 0.220 -1.195 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.116 1.187 0.299 1.00 0.00 H new ATOM 569 N LYS A 54 -3.584 -1.617 2.645 1.00 0.00 N ATOM 570 CA LYS A 54 -4.845 -2.300 2.938 1.00 0.00 C ATOM 571 C LYS A 54 -6.017 -1.322 2.911 1.00 0.00 C ATOM 572 O LYS A 54 -7.061 -1.603 2.327 1.00 0.00 O ATOM 573 CB LYS A 54 -4.779 -3.003 4.299 1.00 0.00 C ATOM 574 CG LYS A 54 -4.747 -4.521 4.210 1.00 0.00 C ATOM 575 CD LYS A 54 -3.496 -5.024 3.505 1.00 0.00 C ATOM 576 CE LYS A 54 -2.243 -4.779 4.335 1.00 0.00 C ATOM 577 NZ LYS A 54 -2.204 -5.636 5.547 1.00 0.00 N ATOM 0 H LYS A 54 -2.879 -1.695 3.378 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.003 -3.050 2.163 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.890 -2.662 4.830 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.641 -2.702 4.894 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.793 -4.944 5.213 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.630 -4.872 3.676 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.596 -6.091 3.304 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.397 -4.526 2.541 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.360 -4.972 3.725 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.203 -3.731 4.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.312 -5.475 6.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.005 -5.398 6.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.268 -6.636 5.267 1.00 0.00 H new ATOM 591 N LYS A 55 -5.824 -0.162 3.526 1.00 0.00 N ATOM 592 CA LYS A 55 -6.857 0.868 3.574 1.00 0.00 C ATOM 593 C LYS A 55 -7.077 1.507 2.205 1.00 0.00 C ATOM 594 O LYS A 55 -8.114 2.113 1.958 1.00 0.00 O ATOM 595 CB LYS A 55 -6.514 1.937 4.617 1.00 0.00 C ATOM 596 CG LYS A 55 -6.581 1.422 6.047 1.00 0.00 C ATOM 597 CD LYS A 55 -7.977 0.922 6.388 1.00 0.00 C ATOM 598 CE LYS A 55 -8.016 0.223 7.740 1.00 0.00 C ATOM 599 NZ LYS A 55 -7.778 1.162 8.872 1.00 0.00 N ATOM 0 H LYS A 55 -4.958 0.091 4.001 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.788 0.383 3.868 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.512 2.318 4.421 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.201 2.776 4.507 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.861 0.615 6.180 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -6.299 2.218 6.736 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.672 1.762 6.393 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.315 0.233 5.614 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.985 -0.259 7.869 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.263 -0.565 7.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.814 0.639 9.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.842 1.604 8.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.511 1.900 8.871 1.00 0.00 H new ATOM 613 N LYS A 56 -6.086 1.400 1.328 1.00 0.00 N ATOM 614 CA LYS A 56 -6.205 1.959 -0.015 1.00 0.00 C ATOM 615 C LYS A 56 -7.148 1.123 -0.877 1.00 0.00 C ATOM 616 O LYS A 56 -7.682 1.615 -1.873 1.00 0.00 O ATOM 617 CB LYS A 56 -4.834 2.080 -0.683 1.00 0.00 C ATOM 618 CG LYS A 56 -3.870 3.038 0.020 1.00 0.00 C ATOM 619 CD LYS A 56 -4.269 4.506 -0.119 1.00 0.00 C ATOM 620 CE LYS A 56 -5.504 4.866 0.695 1.00 0.00 C ATOM 621 NZ LYS A 56 -5.333 4.576 2.142 1.00 0.00 N ATOM 0 H LYS A 56 -5.198 0.936 1.519 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.628 2.959 0.080 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.377 1.092 -0.727 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -4.973 2.413 -1.711 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -3.820 2.781 1.078 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -2.869 2.900 -0.389 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.436 5.135 0.197 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -4.456 4.728 -1.170 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -5.727 5.925 0.563 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.361 4.310 0.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.116 5.004 2.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.333 3.547 2.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.430 4.974 2.471 1.00 0.00 H new ATOM 635 N GLY A 57 -7.346 -0.136 -0.498 1.00 0.00 N ATOM 636 CA GLY A 57 -8.338 -0.956 -1.166 1.00 0.00 C ATOM 637 C GLY A 57 -7.766 -2.167 -1.880 1.00 0.00 C ATOM 638 O GLY A 57 -8.298 -2.584 -2.903 1.00 0.00 O ATOM 0 H GLY A 57 -6.840 -0.600 0.256 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -9.069 -1.293 -0.431 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.874 -0.341 -1.889 1.00 0.00 H new ATOM 642 N LEU A 58 -6.698 -2.740 -1.350 1.00 0.00 N ATOM 643 CA LEU A 58 -6.145 -3.964 -1.915 1.00 0.00 C ATOM 644 C LEU A 58 -5.714 -4.922 -0.809 1.00 0.00 C ATOM 645 O LEU A 58 -5.220 -4.499 0.239 1.00 0.00 O ATOM 646 CB LEU A 58 -5.001 -3.656 -2.897 1.00 0.00 C ATOM 647 CG LEU A 58 -4.027 -2.544 -2.494 1.00 0.00 C ATOM 648 CD1 LEU A 58 -3.013 -3.045 -1.489 1.00 0.00 C ATOM 649 CD2 LEU A 58 -3.319 -1.985 -3.720 1.00 0.00 C ATOM 0 H LEU A 58 -6.198 -2.382 -0.536 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.926 -4.462 -2.489 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.428 -4.571 -3.049 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.440 -3.391 -3.859 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.605 -1.747 -2.027 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.335 -2.235 -1.221 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.529 -3.396 -0.596 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.443 -3.866 -1.925 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.631 -1.196 -3.415 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.762 -2.782 -4.213 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.056 -1.576 -4.411 1.00 0.00 H new ATOM 661 N THR A 59 -5.930 -6.213 -1.044 1.00 0.00 N ATOM 662 CA THR A 59 -5.730 -7.238 -0.030 1.00 0.00 C ATOM 663 C THR A 59 -4.256 -7.454 0.300 1.00 0.00 C ATOM 664 O THR A 59 -3.385 -7.074 -0.480 1.00 0.00 O ATOM 665 CB THR A 59 -6.355 -8.572 -0.478 1.00 0.00 C ATOM 666 OG1 THR A 59 -6.219 -8.715 -1.898 1.00 0.00 O ATOM 667 CG2 THR A 59 -7.822 -8.647 -0.089 1.00 0.00 C ATOM 0 H THR A 59 -6.248 -6.576 -1.943 1.00 0.00 H new ATOM 0 HA THR A 59 -6.225 -6.882 0.873 1.00 0.00 H new ATOM 0 HB THR A 59 -5.829 -9.384 0.024 1.00 0.00 H new ATOM 0 HG1 THR A 59 -6.616 -9.565 -2.181 1.00 0.00 H new ATOM 0 HG21 THR A 59 -8.237 -9.600 -0.418 1.00 0.00 H new ATOM 0 HG22 THR A 59 -7.916 -8.565 0.994 1.00 0.00 H new ATOM 0 HG23 THR A 59 -8.366 -7.831 -0.564 1.00 0.00 H new ATOM 675 N ASP A 60 -3.993 -8.078 1.448 1.00 0.00 N ATOM 676 CA ASP A 60 -2.633 -8.266 1.964 1.00 0.00 C ATOM 677 C ASP A 60 -1.704 -8.853 0.900 1.00 0.00 C ATOM 678 O ASP A 60 -0.619 -8.324 0.647 1.00 0.00 O ATOM 679 CB ASP A 60 -2.678 -9.185 3.187 1.00 0.00 C ATOM 680 CG ASP A 60 -1.467 -9.045 4.083 1.00 0.00 C ATOM 681 OD1 ASP A 60 -0.514 -9.841 3.920 1.00 0.00 O ATOM 682 OD2 ASP A 60 -1.442 -8.127 4.923 1.00 0.00 O ATOM 0 H ASP A 60 -4.718 -8.469 2.050 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.235 -7.291 2.247 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.576 -8.967 3.765 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.757 -10.220 2.853 1.00 0.00 H new ATOM 687 N GLU A 61 -2.162 -9.921 0.256 1.00 0.00 N ATOM 688 CA GLU A 61 -1.405 -10.581 -0.808 1.00 0.00 C ATOM 689 C GLU A 61 -0.973 -9.589 -1.895 1.00 0.00 C ATOM 690 O GLU A 61 0.140 -9.666 -2.426 1.00 0.00 O ATOM 691 CB GLU A 61 -2.256 -11.691 -1.434 1.00 0.00 C ATOM 692 CG GLU A 61 -3.607 -11.205 -1.950 1.00 0.00 C ATOM 693 CD GLU A 61 -4.384 -12.279 -2.678 1.00 0.00 C ATOM 694 OE1 GLU A 61 -5.098 -13.057 -2.014 1.00 0.00 O ATOM 695 OE2 GLU A 61 -4.287 -12.350 -3.917 1.00 0.00 O ATOM 0 H GLU A 61 -3.064 -10.354 0.454 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.505 -11.006 -0.364 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.702 -12.142 -2.258 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.419 -12.474 -0.694 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -4.200 -10.841 -1.111 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -3.451 -10.360 -2.621 1.00 0.00 H new ATOM 702 N GLU A 62 -1.854 -8.654 -2.211 1.00 0.00 N ATOM 703 CA GLU A 62 -1.620 -7.706 -3.286 1.00 0.00 C ATOM 704 C GLU A 62 -0.676 -6.602 -2.835 1.00 0.00 C ATOM 705 O GLU A 62 0.029 -6.005 -3.653 1.00 0.00 O ATOM 706 CB GLU A 62 -2.943 -7.118 -3.777 1.00 0.00 C ATOM 707 CG GLU A 62 -3.927 -8.170 -4.276 1.00 0.00 C ATOM 708 CD GLU A 62 -3.438 -8.909 -5.508 1.00 0.00 C ATOM 709 OE1 GLU A 62 -2.319 -9.463 -5.464 1.00 0.00 O ATOM 710 OE2 GLU A 62 -4.160 -8.935 -6.527 1.00 0.00 O ATOM 0 H GLU A 62 -2.746 -8.532 -1.732 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.150 -8.236 -4.115 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.405 -6.555 -2.966 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.741 -6.410 -4.581 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.115 -8.890 -3.479 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.879 -7.690 -4.502 1.00 0.00 H new ATOM 717 N ILE A 63 -0.651 -6.329 -1.536 1.00 0.00 N ATOM 718 CA ILE A 63 0.228 -5.293 -1.025 1.00 0.00 C ATOM 719 C ILE A 63 1.680 -5.722 -1.183 1.00 0.00 C ATOM 720 O ILE A 63 2.537 -4.908 -1.534 1.00 0.00 O ATOM 721 CB ILE A 63 -0.047 -4.900 0.450 1.00 0.00 C ATOM 722 CG1 ILE A 63 0.723 -5.777 1.439 1.00 0.00 C ATOM 723 CG2 ILE A 63 -1.532 -4.963 0.749 1.00 0.00 C ATOM 724 CD1 ILE A 63 0.719 -5.226 2.844 1.00 0.00 C ATOM 0 H ILE A 63 -1.218 -6.802 -0.832 1.00 0.00 H new ATOM 0 HA ILE A 63 0.023 -4.402 -1.619 1.00 0.00 H new ATOM 0 HB ILE A 63 0.305 -3.876 0.576 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.287 -6.776 1.445 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.753 -5.881 1.098 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.706 -4.684 1.788 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.065 -4.273 0.094 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.895 -5.977 0.580 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.281 -5.893 3.498 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.181 -4.239 2.849 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.308 -5.148 3.201 1.00 0.00 H new ATOM 736 N ASP A 64 1.962 -7.007 -0.956 1.00 0.00 N ATOM 737 CA ASP A 64 3.321 -7.493 -1.142 1.00 0.00 C ATOM 738 C ASP A 64 3.605 -7.623 -2.618 1.00 0.00 C ATOM 739 O ASP A 64 4.740 -7.521 -3.032 1.00 0.00 O ATOM 740 CB ASP A 64 3.605 -8.844 -0.485 1.00 0.00 C ATOM 741 CG ASP A 64 2.730 -9.160 0.711 1.00 0.00 C ATOM 742 OD1 ASP A 64 1.871 -10.067 0.614 1.00 0.00 O ATOM 743 OD2 ASP A 64 2.863 -8.466 1.740 1.00 0.00 O ATOM 0 H ASP A 64 1.286 -7.708 -0.652 1.00 0.00 H new ATOM 0 HA ASP A 64 3.966 -6.760 -0.657 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.477 -9.629 -1.230 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.649 -8.869 -0.172 1.00 0.00 H new ATOM 748 N MET A 65 2.568 -7.860 -3.412 1.00 0.00 N ATOM 749 CA MET A 65 2.728 -7.918 -4.861 1.00 0.00 C ATOM 750 C MET A 65 3.234 -6.574 -5.377 1.00 0.00 C ATOM 751 O MET A 65 4.211 -6.510 -6.127 1.00 0.00 O ATOM 752 CB MET A 65 1.403 -8.281 -5.544 1.00 0.00 C ATOM 753 CG MET A 65 1.490 -8.412 -7.063 1.00 0.00 C ATOM 754 SD MET A 65 2.276 -9.945 -7.623 1.00 0.00 S ATOM 755 CE MET A 65 3.999 -9.667 -7.219 1.00 0.00 C ATOM 0 H MET A 65 1.615 -8.014 -3.082 1.00 0.00 H new ATOM 0 HA MET A 65 3.456 -8.694 -5.099 1.00 0.00 H new ATOM 0 HB2 MET A 65 1.042 -9.223 -5.131 1.00 0.00 H new ATOM 0 HB3 MET A 65 0.662 -7.520 -5.299 1.00 0.00 H new ATOM 0 HG2 MET A 65 0.485 -8.357 -7.481 1.00 0.00 H new ATOM 0 HG3 MET A 65 2.047 -7.563 -7.460 1.00 0.00 H new ATOM 0 HE1 MET A 65 4.630 -10.146 -7.968 1.00 0.00 H new ATOM 0 HE2 MET A 65 4.201 -8.596 -7.205 1.00 0.00 H new ATOM 0 HE3 MET A 65 4.216 -10.090 -6.238 1.00 0.00 H new ATOM 765 N ALA A 66 2.584 -5.503 -4.938 1.00 0.00 N ATOM 766 CA ALA A 66 2.962 -4.153 -5.333 1.00 0.00 C ATOM 767 C ALA A 66 4.332 -3.786 -4.774 1.00 0.00 C ATOM 768 O ALA A 66 5.193 -3.284 -5.499 1.00 0.00 O ATOM 769 CB ALA A 66 1.912 -3.156 -4.865 1.00 0.00 C ATOM 0 H ALA A 66 1.787 -5.545 -4.303 1.00 0.00 H new ATOM 0 HA ALA A 66 3.021 -4.117 -6.421 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.205 -2.150 -5.166 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.950 -3.403 -5.314 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.827 -3.200 -3.779 1.00 0.00 H new ATOM 775 N PHE A 67 4.533 -4.056 -3.489 1.00 0.00 N ATOM 776 CA PHE A 67 5.796 -3.749 -2.828 1.00 0.00 C ATOM 777 C PHE A 67 6.948 -4.567 -3.409 1.00 0.00 C ATOM 778 O PHE A 67 8.067 -4.066 -3.548 1.00 0.00 O ATOM 779 CB PHE A 67 5.687 -3.983 -1.316 1.00 0.00 C ATOM 780 CG PHE A 67 5.214 -2.777 -0.550 1.00 0.00 C ATOM 781 CD1 PHE A 67 5.573 -1.509 -0.970 1.00 0.00 C ATOM 782 CD2 PHE A 67 4.433 -2.903 0.595 1.00 0.00 C ATOM 783 CE1 PHE A 67 5.176 -0.391 -0.279 1.00 0.00 C ATOM 784 CE2 PHE A 67 4.031 -1.778 1.292 1.00 0.00 C ATOM 785 CZ PHE A 67 4.407 -0.523 0.852 1.00 0.00 C ATOM 0 H PHE A 67 3.835 -4.488 -2.883 1.00 0.00 H new ATOM 0 HA PHE A 67 6.011 -2.695 -3.006 1.00 0.00 H new ATOM 0 HB2 PHE A 67 5.001 -4.810 -1.134 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.661 -4.287 -0.933 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.177 -1.396 -1.858 1.00 0.00 H new ATOM 0 HD2 PHE A 67 4.140 -3.883 0.941 1.00 0.00 H new ATOM 0 HE1 PHE A 67 5.468 0.590 -0.624 1.00 0.00 H new ATOM 0 HE2 PHE A 67 3.424 -1.880 2.179 1.00 0.00 H new ATOM 0 HZ PHE A 67 4.096 0.355 1.398 1.00 0.00 H new ATOM 795 N GLN A 68 6.663 -5.816 -3.749 1.00 0.00 N ATOM 796 CA GLN A 68 7.644 -6.699 -4.366 1.00 0.00 C ATOM 797 C GLN A 68 8.100 -6.097 -5.685 1.00 0.00 C ATOM 798 O GLN A 68 9.288 -5.884 -5.923 1.00 0.00 O ATOM 799 CB GLN A 68 7.023 -8.070 -4.636 1.00 0.00 C ATOM 800 CG GLN A 68 8.019 -9.220 -4.675 1.00 0.00 C ATOM 801 CD GLN A 68 8.740 -9.355 -6.002 1.00 0.00 C ATOM 802 OE1 GLN A 68 8.059 -9.020 -7.087 1.00 0.00 O flip ATOM 803 NE2 GLN A 68 9.894 -9.779 -6.051 1.00 0.00 N flip ATOM 0 H GLN A 68 5.749 -6.245 -3.606 1.00 0.00 H new ATOM 0 HA GLN A 68 8.492 -6.814 -3.691 1.00 0.00 H new ATOM 0 HB2 GLN A 68 6.280 -8.276 -3.865 1.00 0.00 H new ATOM 0 HB3 GLN A 68 6.493 -8.033 -5.588 1.00 0.00 H new ATOM 0 HG2 GLN A 68 8.755 -9.079 -3.884 1.00 0.00 H new ATOM 0 HG3 GLN A 68 7.495 -10.151 -4.460 1.00 0.00 H new ATOM 0 HE21 GLN A 68 10.384 -10.026 -5.191 1.00 0.00 H new ATOM 0 HE22 GLN A 68 10.361 -9.884 -6.952 1.00 0.00 H new ATOM 812 N GLN A 69 7.108 -5.801 -6.514 1.00 0.00 N ATOM 813 CA GLN A 69 7.313 -5.300 -7.864 1.00 0.00 C ATOM 814 C GLN A 69 8.033 -3.951 -7.866 1.00 0.00 C ATOM 815 O GLN A 69 8.842 -3.673 -8.750 1.00 0.00 O ATOM 816 CB GLN A 69 5.950 -5.174 -8.542 1.00 0.00 C ATOM 817 CG GLN A 69 5.996 -4.593 -9.941 1.00 0.00 C ATOM 818 CD GLN A 69 4.608 -4.319 -10.491 1.00 0.00 C ATOM 819 OE1 GLN A 69 4.059 -3.230 -10.317 1.00 0.00 O ATOM 820 NE2 GLN A 69 4.039 -5.299 -11.169 1.00 0.00 N ATOM 0 H GLN A 69 6.125 -5.904 -6.263 1.00 0.00 H new ATOM 0 HA GLN A 69 7.947 -5.999 -8.409 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.488 -6.160 -8.587 1.00 0.00 H new ATOM 0 HB3 GLN A 69 5.307 -4.548 -7.923 1.00 0.00 H new ATOM 0 HG2 GLN A 69 6.570 -3.667 -9.930 1.00 0.00 H new ATOM 0 HG3 GLN A 69 6.518 -5.284 -10.603 1.00 0.00 H new ATOM 0 HE21 GLN A 69 4.528 -6.186 -11.290 1.00 0.00 H new ATOM 0 HE22 GLN A 69 3.111 -5.169 -11.571 1.00 0.00 H new ATOM 829 N SER A 70 7.748 -3.123 -6.870 1.00 0.00 N ATOM 830 CA SER A 70 8.313 -1.777 -6.815 1.00 0.00 C ATOM 831 C SER A 70 9.727 -1.766 -6.238 1.00 0.00 C ATOM 832 O SER A 70 10.387 -0.720 -6.211 1.00 0.00 O ATOM 833 CB SER A 70 7.414 -0.862 -5.990 1.00 0.00 C ATOM 834 OG SER A 70 6.092 -0.864 -6.493 1.00 0.00 O ATOM 0 H SER A 70 7.132 -3.356 -6.091 1.00 0.00 H new ATOM 0 HA SER A 70 8.372 -1.411 -7.840 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.412 -1.189 -4.950 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.811 0.153 -6.004 1.00 0.00 H new ATOM 0 HG SER A 70 5.637 -1.686 -6.214 1.00 0.00 H new ATOM 840 N GLY A 71 10.181 -2.930 -5.779 1.00 0.00 N ATOM 841 CA GLY A 71 11.495 -3.034 -5.171 1.00 0.00 C ATOM 842 C GLY A 71 11.592 -2.218 -3.902 1.00 0.00 C ATOM 843 O GLY A 71 12.397 -1.293 -3.809 1.00 0.00 O ATOM 0 H GLY A 71 9.659 -3.806 -5.818 1.00 0.00 H new ATOM 0 HA2 GLY A 71 11.711 -4.079 -4.949 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.251 -2.696 -5.879 1.00 0.00 H new ATOM 847 N THR A 72 10.772 -2.556 -2.920 1.00 0.00 N ATOM 848 CA THR A 72 10.664 -1.742 -1.719 1.00 0.00 C ATOM 849 C THR A 72 10.722 -2.582 -0.450 1.00 0.00 C ATOM 850 O THR A 72 10.598 -2.056 0.658 1.00 0.00 O ATOM 851 CB THR A 72 9.347 -0.955 -1.725 1.00 0.00 C ATOM 852 OG1 THR A 72 8.257 -1.852 -1.922 1.00 0.00 O ATOM 853 CG2 THR A 72 9.331 0.089 -2.820 1.00 0.00 C ATOM 0 H THR A 72 10.175 -3.383 -2.930 1.00 0.00 H new ATOM 0 HA THR A 72 11.514 -1.060 -1.723 1.00 0.00 H new ATOM 0 HB THR A 72 9.254 -0.449 -0.764 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.656 -1.812 -1.149 1.00 0.00 H new ATOM 0 HG21 THR A 72 8.384 0.628 -2.795 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.151 0.790 -2.666 1.00 0.00 H new ATOM 0 HG23 THR A 72 9.446 -0.398 -3.788 1.00 0.00 H new ATOM 861 N ALA A 73 10.901 -3.884 -0.609 1.00 0.00 N ATOM 862 CA ALA A 73 10.895 -4.792 0.523 1.00 0.00 C ATOM 863 C ALA A 73 12.262 -5.423 0.712 1.00 0.00 C ATOM 864 O ALA A 73 12.872 -5.901 -0.243 1.00 0.00 O ATOM 865 CB ALA A 73 9.841 -5.868 0.315 1.00 0.00 C ATOM 0 H ALA A 73 11.052 -4.334 -1.512 1.00 0.00 H new ATOM 0 HA ALA A 73 10.654 -4.226 1.423 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.841 -6.547 1.168 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.860 -5.403 0.221 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.066 -6.427 -0.593 1.00 0.00 H new ATOM 871 N ALA A 74 12.740 -5.407 1.952 1.00 0.00 N ATOM 872 CA ALA A 74 13.987 -6.075 2.301 1.00 0.00 C ATOM 873 C ALA A 74 13.872 -7.558 1.987 1.00 0.00 C ATOM 874 O ALA A 74 14.820 -8.194 1.532 1.00 0.00 O ATOM 875 CB ALA A 74 14.307 -5.865 3.773 1.00 0.00 C ATOM 0 H ALA A 74 12.281 -4.938 2.733 1.00 0.00 H new ATOM 0 HA ALA A 74 14.799 -5.648 1.713 1.00 0.00 H new ATOM 0 HB1 ALA A 74 15.241 -6.370 4.018 1.00 0.00 H new ATOM 0 HB2 ALA A 74 14.407 -4.799 3.975 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.502 -6.276 4.383 1.00 0.00 H new ATOM 881 N ASP A 75 12.685 -8.084 2.237 1.00 0.00 N ATOM 882 CA ASP A 75 12.324 -9.447 1.881 1.00 0.00 C ATOM 883 C ASP A 75 10.807 -9.541 1.890 1.00 0.00 C ATOM 884 O ASP A 75 10.187 -10.051 0.959 1.00 0.00 O ATOM 885 CB ASP A 75 12.929 -10.455 2.864 1.00 0.00 C ATOM 886 CG ASP A 75 12.555 -11.887 2.537 1.00 0.00 C ATOM 887 OD1 ASP A 75 13.184 -12.482 1.637 1.00 0.00 O ATOM 888 OD2 ASP A 75 11.627 -12.422 3.170 1.00 0.00 O ATOM 0 H ASP A 75 11.935 -7.570 2.699 1.00 0.00 H new ATOM 0 HA ASP A 75 12.717 -9.688 0.893 1.00 0.00 H new ATOM 0 HB2 ASP A 75 14.015 -10.357 2.857 1.00 0.00 H new ATOM 0 HB3 ASP A 75 12.594 -10.218 3.874 1.00 0.00 H new ATOM 893 N GLU A 76 10.223 -9.003 2.952 1.00 0.00 N ATOM 894 CA GLU A 76 8.782 -8.850 3.064 1.00 0.00 C ATOM 895 C GLU A 76 8.451 -7.371 3.247 1.00 0.00 C ATOM 896 O GLU A 76 9.270 -6.613 3.766 1.00 0.00 O ATOM 897 CB GLU A 76 8.257 -9.648 4.260 1.00 0.00 C ATOM 898 CG GLU A 76 8.406 -11.151 4.105 1.00 0.00 C ATOM 899 CD GLU A 76 8.087 -11.897 5.382 1.00 0.00 C ATOM 900 OE1 GLU A 76 9.023 -12.215 6.149 1.00 0.00 O ATOM 901 OE2 GLU A 76 6.898 -12.170 5.629 1.00 0.00 O ATOM 0 H GLU A 76 10.739 -8.660 3.762 1.00 0.00 H new ATOM 0 HA GLU A 76 8.307 -9.226 2.158 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.787 -9.330 5.158 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.204 -9.410 4.410 1.00 0.00 H new ATOM 0 HG2 GLU A 76 7.746 -11.499 3.310 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.426 -11.382 3.797 1.00 0.00 H new TER 908 GLU A 76 ATOM 909 N SER B 101 0.945 19.429 2.512 1.00 0.00 N ATOM 910 CA SER B 101 1.990 18.932 3.428 1.00 0.00 C ATOM 911 C SER B 101 2.009 17.402 3.445 1.00 0.00 C ATOM 912 O SER B 101 1.522 16.766 2.505 1.00 0.00 O ATOM 913 CB SER B 101 1.752 19.502 4.829 1.00 0.00 C ATOM 914 OG SER B 101 0.397 19.348 5.232 1.00 0.00 O ATOM 0 HA SER B 101 2.967 19.266 3.077 1.00 0.00 H new ATOM 0 HB2 SER B 101 2.404 18.999 5.543 1.00 0.00 H new ATOM 0 HB3 SER B 101 2.019 20.559 4.843 1.00 0.00 H new ATOM 0 HG SER B 101 -0.172 19.259 4.439 1.00 0.00 H new ATOM 922 N GLN B 102 2.566 16.818 4.511 1.00 0.00 N ATOM 923 CA GLN B 102 2.762 15.367 4.600 1.00 0.00 C ATOM 924 C GLN B 102 1.471 14.584 4.362 1.00 0.00 C ATOM 925 O GLN B 102 1.485 13.553 3.691 1.00 0.00 O ATOM 926 CB GLN B 102 3.337 14.979 5.965 1.00 0.00 C ATOM 927 CG GLN B 102 4.715 15.554 6.250 1.00 0.00 C ATOM 928 CD GLN B 102 5.249 15.129 7.605 1.00 0.00 C ATOM 929 OE1 GLN B 102 4.944 14.036 8.090 1.00 0.00 O ATOM 930 NE2 GLN B 102 6.046 15.983 8.228 1.00 0.00 N ATOM 0 H GLN B 102 2.891 17.332 5.330 1.00 0.00 H new ATOM 0 HA GLN B 102 3.467 15.106 3.811 1.00 0.00 H new ATOM 0 HB2 GLN B 102 2.650 15.311 6.743 1.00 0.00 H new ATOM 0 HB3 GLN B 102 3.390 13.892 6.028 1.00 0.00 H new ATOM 0 HG2 GLN B 102 5.408 15.233 5.472 1.00 0.00 H new ATOM 0 HG3 GLN B 102 4.668 16.642 6.206 1.00 0.00 H new ATOM 0 HE21 GLN B 102 6.275 16.877 7.794 1.00 0.00 H new ATOM 0 HE22 GLN B 102 6.432 15.747 9.142 1.00 0.00 H new ATOM 939 N GLU B 103 0.364 15.060 4.921 1.00 0.00 N ATOM 940 CA GLU B 103 -0.914 14.359 4.800 1.00 0.00 C ATOM 941 C GLU B 103 -1.349 14.230 3.344 1.00 0.00 C ATOM 942 O GLU B 103 -1.584 13.121 2.861 1.00 0.00 O ATOM 943 CB GLU B 103 -1.992 15.067 5.616 1.00 0.00 C ATOM 944 CG GLU B 103 -1.683 15.098 7.099 1.00 0.00 C ATOM 945 CD GLU B 103 -1.494 13.714 7.679 1.00 0.00 C ATOM 946 OE1 GLU B 103 -0.392 13.417 8.181 1.00 0.00 O ATOM 947 OE2 GLU B 103 -2.450 12.912 7.642 1.00 0.00 O ATOM 0 H GLU B 103 0.323 15.925 5.461 1.00 0.00 H new ATOM 0 HA GLU B 103 -0.776 13.353 5.195 1.00 0.00 H new ATOM 0 HB2 GLU B 103 -2.104 16.088 5.252 1.00 0.00 H new ATOM 0 HB3 GLU B 103 -2.947 14.566 5.459 1.00 0.00 H new ATOM 0 HG2 GLU B 103 -0.780 15.685 7.267 1.00 0.00 H new ATOM 0 HG3 GLU B 103 -2.494 15.602 7.626 1.00 0.00 H new ATOM 954 N LYS B 104 -1.437 15.353 2.641 1.00 0.00 N ATOM 955 CA LYS B 104 -1.824 15.349 1.232 1.00 0.00 C ATOM 956 C LYS B 104 -0.857 14.525 0.398 1.00 0.00 C ATOM 957 O LYS B 104 -1.248 13.879 -0.569 1.00 0.00 O ATOM 958 CB LYS B 104 -1.893 16.775 0.681 1.00 0.00 C ATOM 959 CG LYS B 104 -3.240 17.444 0.882 1.00 0.00 C ATOM 960 CD LYS B 104 -3.227 18.880 0.386 1.00 0.00 C ATOM 961 CE LYS B 104 -4.621 19.487 0.405 1.00 0.00 C ATOM 962 NZ LYS B 104 -5.332 19.194 1.675 1.00 0.00 N ATOM 0 H LYS B 104 -1.246 16.280 3.022 1.00 0.00 H new ATOM 0 HA LYS B 104 -2.813 14.896 1.168 1.00 0.00 H new ATOM 0 HB2 LYS B 104 -1.123 17.378 1.162 1.00 0.00 H new ATOM 0 HB3 LYS B 104 -1.663 16.755 -0.384 1.00 0.00 H new ATOM 0 HG2 LYS B 104 -4.009 16.882 0.353 1.00 0.00 H new ATOM 0 HG3 LYS B 104 -3.503 17.425 1.940 1.00 0.00 H new ATOM 0 HD2 LYS B 104 -2.561 19.476 1.010 1.00 0.00 H new ATOM 0 HD3 LYS B 104 -2.828 18.913 -0.628 1.00 0.00 H new ATOM 0 HE2 LYS B 104 -4.550 20.566 0.269 1.00 0.00 H new ATOM 0 HE3 LYS B 104 -5.199 19.098 -0.433 1.00 0.00 H new ATOM 0 HZ1 LYS B 104 -6.138 19.843 1.779 1.00 0.00 H new ATOM 0 HZ2 LYS B 104 -5.676 18.213 1.662 1.00 0.00 H new ATOM 0 HZ3 LYS B 104 -4.680 19.321 2.475 1.00 0.00 H new ATOM 976 N PHE B 105 0.404 14.535 0.773 1.00 0.00 N ATOM 977 CA PHE B 105 1.407 13.805 0.021 1.00 0.00 C ATOM 978 C PHE B 105 1.328 12.311 0.310 1.00 0.00 C ATOM 979 O PHE B 105 1.784 11.495 -0.485 1.00 0.00 O ATOM 980 CB PHE B 105 2.807 14.349 0.341 1.00 0.00 C ATOM 981 CG PHE B 105 3.922 13.637 -0.375 1.00 0.00 C ATOM 982 CD1 PHE B 105 4.181 13.895 -1.711 1.00 0.00 C ATOM 983 CD2 PHE B 105 4.711 12.711 0.290 1.00 0.00 C ATOM 984 CE1 PHE B 105 5.205 13.241 -2.368 1.00 0.00 C ATOM 985 CE2 PHE B 105 5.735 12.055 -0.362 1.00 0.00 C ATOM 986 CZ PHE B 105 5.983 12.322 -1.694 1.00 0.00 C ATOM 0 H PHE B 105 0.759 15.036 1.587 1.00 0.00 H new ATOM 0 HA PHE B 105 1.212 13.948 -1.042 1.00 0.00 H new ATOM 0 HB2 PHE B 105 2.841 15.407 0.083 1.00 0.00 H new ATOM 0 HB3 PHE B 105 2.976 14.278 1.415 1.00 0.00 H new ATOM 0 HD1 PHE B 105 3.577 14.614 -2.244 1.00 0.00 H new ATOM 0 HD2 PHE B 105 4.522 12.500 1.332 1.00 0.00 H new ATOM 0 HE1 PHE B 105 5.397 13.449 -3.410 1.00 0.00 H new ATOM 0 HE2 PHE B 105 6.341 11.335 0.168 1.00 0.00 H new ATOM 0 HZ PHE B 105 6.785 11.812 -2.208 1.00 0.00 H new ATOM 996 N PHE B 106 0.758 11.939 1.443 1.00 0.00 N ATOM 997 CA PHE B 106 0.651 10.530 1.767 1.00 0.00 C ATOM 998 C PHE B 106 -0.718 9.970 1.383 1.00 0.00 C ATOM 999 O PHE B 106 -0.844 8.803 1.037 1.00 0.00 O ATOM 1000 CB PHE B 106 0.933 10.290 3.248 1.00 0.00 C ATOM 1001 CG PHE B 106 1.612 8.977 3.497 1.00 0.00 C ATOM 1002 CD1 PHE B 106 0.916 7.925 4.075 1.00 0.00 C ATOM 1003 CD2 PHE B 106 2.943 8.793 3.167 1.00 0.00 C ATOM 1004 CE1 PHE B 106 1.536 6.716 4.318 1.00 0.00 C ATOM 1005 CE2 PHE B 106 3.567 7.584 3.408 1.00 0.00 C ATOM 1006 CZ PHE B 106 2.876 6.541 3.932 1.00 0.00 C ATOM 0 H PHE B 106 0.371 12.577 2.139 1.00 0.00 H new ATOM 0 HA PHE B 106 1.403 10.001 1.182 1.00 0.00 H new ATOM 0 HB2 PHE B 106 1.558 11.097 3.631 1.00 0.00 H new ATOM 0 HB3 PHE B 106 -0.005 10.322 3.803 1.00 0.00 H new ATOM 0 HD1 PHE B 106 -0.124 8.054 4.338 1.00 0.00 H new ATOM 0 HD2 PHE B 106 3.499 9.602 2.717 1.00 0.00 H new ATOM 0 HE1 PHE B 106 0.997 5.913 4.799 1.00 0.00 H new ATOM 0 HE2 PHE B 106 4.616 7.468 3.177 1.00 0.00 H new ATOM 0 HZ PHE B 106 3.354 5.580 4.052 1.00 0.00 H new ATOM 1016 N GLN B 107 -1.748 10.798 1.462 1.00 0.00 N ATOM 1017 CA GLN B 107 -3.105 10.350 1.168 1.00 0.00 C ATOM 1018 C GLN B 107 -3.528 10.713 -0.253 1.00 0.00 C ATOM 1019 O GLN B 107 -4.032 9.871 -0.997 1.00 0.00 O ATOM 1020 CB GLN B 107 -4.089 10.955 2.170 1.00 0.00 C ATOM 1021 CG GLN B 107 -3.826 10.555 3.615 1.00 0.00 C ATOM 1022 CD GLN B 107 -3.977 9.065 3.848 1.00 0.00 C ATOM 1023 OE1 GLN B 107 -2.887 8.327 3.700 1.00 0.00 O flip ATOM 1024 NE2 GLN B 107 -5.064 8.576 4.159 1.00 0.00 N flip ATOM 0 H GLN B 107 -1.673 11.780 1.726 1.00 0.00 H new ATOM 0 HA GLN B 107 -3.116 9.263 1.254 1.00 0.00 H new ATOM 0 HB2 GLN B 107 -4.049 12.041 2.092 1.00 0.00 H new ATOM 0 HB3 GLN B 107 -5.100 10.652 1.898 1.00 0.00 H new ATOM 0 HG2 GLN B 107 -2.818 10.862 3.895 1.00 0.00 H new ATOM 0 HG3 GLN B 107 -4.515 11.092 4.267 1.00 0.00 H new ATOM 0 HE21 GLN B 107 -5.882 9.176 4.264 1.00 0.00 H new ATOM 0 HE22 GLN B 107 -5.146 7.571 4.312 1.00 0.00 H new ATOM 1033 N GLU B 108 -3.315 11.964 -0.627 1.00 0.00 N ATOM 1034 CA GLU B 108 -3.825 12.482 -1.891 1.00 0.00 C ATOM 1035 C GLU B 108 -2.925 12.086 -3.061 1.00 0.00 C ATOM 1036 O GLU B 108 -3.402 11.883 -4.179 1.00 0.00 O ATOM 1037 CB GLU B 108 -3.953 14.000 -1.812 1.00 0.00 C ATOM 1038 CG GLU B 108 -4.761 14.606 -2.942 1.00 0.00 C ATOM 1039 CD GLU B 108 -5.104 16.052 -2.685 1.00 0.00 C ATOM 1040 OE1 GLU B 108 -4.388 16.933 -3.204 1.00 0.00 O ATOM 1041 OE2 GLU B 108 -6.086 16.308 -1.951 1.00 0.00 O ATOM 0 H GLU B 108 -2.792 12.643 -0.074 1.00 0.00 H new ATOM 0 HA GLU B 108 -4.808 12.044 -2.067 1.00 0.00 H new ATOM 0 HB2 GLU B 108 -4.417 14.267 -0.862 1.00 0.00 H new ATOM 0 HB3 GLU B 108 -2.956 14.440 -1.815 1.00 0.00 H new ATOM 0 HG2 GLU B 108 -4.198 14.528 -3.872 1.00 0.00 H new ATOM 0 HG3 GLU B 108 -5.680 14.035 -3.077 1.00 0.00 H new ATOM 1048 N LEU B 109 -1.624 11.973 -2.791 1.00 0.00 N ATOM 1049 CA LEU B 109 -0.649 11.581 -3.812 1.00 0.00 C ATOM 1050 C LEU B 109 -1.013 10.218 -4.377 1.00 0.00 C ATOM 1051 O LEU B 109 -0.772 9.930 -5.549 1.00 0.00 O ATOM 1052 CB LEU B 109 0.761 11.539 -3.201 1.00 0.00 C ATOM 1053 CG LEU B 109 1.944 11.609 -4.182 1.00 0.00 C ATOM 1054 CD1 LEU B 109 2.242 10.244 -4.781 1.00 0.00 C ATOM 1055 CD2 LEU B 109 1.677 12.633 -5.277 1.00 0.00 C ATOM 0 H LEU B 109 -1.219 12.148 -1.871 1.00 0.00 H new ATOM 0 HA LEU B 109 -0.663 12.314 -4.619 1.00 0.00 H new ATOM 0 HB2 LEU B 109 0.852 12.368 -2.499 1.00 0.00 H new ATOM 0 HB3 LEU B 109 0.853 10.620 -2.622 1.00 0.00 H new ATOM 0 HG LEU B 109 2.824 11.928 -3.623 1.00 0.00 H new ATOM 0 HD11 LEU B 109 3.083 10.325 -5.470 1.00 0.00 H new ATOM 0 HD12 LEU B 109 2.492 9.544 -3.984 1.00 0.00 H new ATOM 0 HD13 LEU B 109 1.365 9.883 -5.319 1.00 0.00 H new ATOM 0 HD21 LEU B 109 2.526 12.666 -5.959 1.00 0.00 H new ATOM 0 HD22 LEU B 109 0.780 12.351 -5.828 1.00 0.00 H new ATOM 0 HD23 LEU B 109 1.534 13.616 -4.829 1.00 0.00 H new ATOM 1067 N PHE B 110 -1.609 9.391 -3.533 1.00 0.00 N ATOM 1068 CA PHE B 110 -1.982 8.048 -3.927 1.00 0.00 C ATOM 1069 C PHE B 110 -3.047 8.079 -5.016 1.00 0.00 C ATOM 1070 O PHE B 110 -2.860 7.493 -6.078 1.00 0.00 O ATOM 1071 CB PHE B 110 -2.491 7.251 -2.723 1.00 0.00 C ATOM 1072 CG PHE B 110 -2.675 5.789 -3.018 1.00 0.00 C ATOM 1073 CD1 PHE B 110 -3.916 5.298 -3.394 1.00 0.00 C ATOM 1074 CD2 PHE B 110 -1.612 4.905 -2.919 1.00 0.00 C ATOM 1075 CE1 PHE B 110 -4.092 3.954 -3.664 1.00 0.00 C ATOM 1076 CE2 PHE B 110 -1.784 3.561 -3.187 1.00 0.00 C ATOM 1077 CZ PHE B 110 -3.002 3.083 -3.568 1.00 0.00 C ATOM 0 H PHE B 110 -1.844 9.630 -2.570 1.00 0.00 H new ATOM 0 HA PHE B 110 -1.092 7.557 -4.322 1.00 0.00 H new ATOM 0 HB2 PHE B 110 -1.788 7.363 -1.897 1.00 0.00 H new ATOM 0 HB3 PHE B 110 -3.441 7.671 -2.392 1.00 0.00 H new ATOM 0 HD1 PHE B 110 -4.755 5.973 -3.477 1.00 0.00 H new ATOM 0 HD2 PHE B 110 -0.638 5.271 -2.629 1.00 0.00 H new ATOM 0 HE1 PHE B 110 -5.064 3.579 -3.947 1.00 0.00 H new ATOM 0 HE2 PHE B 110 -0.947 2.884 -3.094 1.00 0.00 H new ATOM 0 HZ PHE B 110 -3.125 2.034 -3.795 1.00 0.00 H new ATOM 1087 N ASP B 111 -4.145 8.788 -4.752 1.00 0.00 N ATOM 1088 CA ASP B 111 -5.305 8.785 -5.647 1.00 0.00 C ATOM 1089 C ASP B 111 -4.903 9.058 -7.092 1.00 0.00 C ATOM 1090 O ASP B 111 -5.022 8.182 -7.949 1.00 0.00 O ATOM 1091 CB ASP B 111 -6.344 9.815 -5.201 1.00 0.00 C ATOM 1092 CG ASP B 111 -7.562 9.825 -6.106 1.00 0.00 C ATOM 1093 OD1 ASP B 111 -7.628 10.680 -7.014 1.00 0.00 O ATOM 1094 OD2 ASP B 111 -8.459 8.973 -5.916 1.00 0.00 O ATOM 0 H ASP B 111 -4.256 9.373 -3.924 1.00 0.00 H new ATOM 0 HA ASP B 111 -5.744 7.789 -5.594 1.00 0.00 H new ATOM 0 HB2 ASP B 111 -6.654 9.598 -4.179 1.00 0.00 H new ATOM 0 HB3 ASP B 111 -5.891 10.806 -5.193 1.00 0.00 H new ATOM 1099 N SER B 112 -4.411 10.257 -7.357 1.00 0.00 N ATOM 1100 CA SER B 112 -4.025 10.629 -8.704 1.00 0.00 C ATOM 1101 C SER B 112 -2.727 11.431 -8.686 1.00 0.00 C ATOM 1102 O SER B 112 -2.780 12.657 -8.462 1.00 0.00 O ATOM 1103 CB SER B 112 -5.148 11.430 -9.373 1.00 0.00 C ATOM 1104 OG SER B 112 -6.372 10.707 -9.356 1.00 0.00 O ATOM 1105 OXT SER B 112 -1.655 10.826 -8.897 1.00 0.00 O ATOM 0 H SER B 112 -4.271 10.986 -6.658 1.00 0.00 H new ATOM 0 HA SER B 112 -3.855 9.721 -9.283 1.00 0.00 H new ATOM 0 HB2 SER B 112 -5.277 12.382 -8.858 1.00 0.00 H new ATOM 0 HB3 SER B 112 -4.872 11.660 -10.402 1.00 0.00 H new ATOM 0 HG SER B 112 -6.841 10.878 -8.513 1.00 0.00 H new TER 1111 SER B 112