USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 606 hydrogens (9 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 SER OG : rot 108:sc= 0.131 USER MOD Set 1.2: A 72 THR OG1 : rot 180:sc= 0.166 USER MOD Single : A 1 GLY N :NH3+ -151:sc= -1.78! (180deg=-3.07!) USER MOD Single : A 3 THR OG1 : rot 51:sc= 0.365 USER MOD Single : A 7 SER OG : rot 180:sc= -0.0369 USER MOD Single : A 9 HIS : no HD1:sc= -0.345 X(o=-0.34,f=-0.61) USER MOD Single : A 13 LYS NZ :NH3+ 152:sc= -0.235 (180deg=-2.02) USER MOD Single : A 18 TYR OH : rot 41:sc= 0.706 USER MOD Single : A 19 GLN : amide:sc= -15.3! C(o=-15!,f=-19!) USER MOD Single : A 20 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.0505) USER MOD Single : A 25 GLN : amide:sc= -0.452 X(o=-0.45,f=-0.45) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0.115 USER MOD Single : A 34 THR OG1 : rot 97:sc= -2.99! USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.135 K(o=-0.14,f=-1.1) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0165) USER MOD Single : A 47 THR OG1 : rot 160:sc= 0.653 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -2.81! K(o=-2.8!,f=-0.31) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= -0.0946 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -145:sc= -0.079 (180deg=-0.841) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.154 K(o=-0.15,f=-0.75) USER MOD Single : A 68 GLN : amide:sc= -0.162 X(o=-0.16,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.530 -15.977 -3.972 1.00 0.00 N ATOM 2 CA GLY A 1 10.944 -15.719 -4.374 1.00 0.00 C ATOM 3 C GLY A 1 11.602 -14.784 -3.358 1.00 0.00 C ATOM 4 O GLY A 1 12.099 -13.730 -3.703 1.00 0.00 O ATOM 0 H1 GLY A 1 9.239 -16.916 -4.310 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.452 -15.943 -2.936 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.912 -15.252 -4.390 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.494 -16.658 -4.429 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.975 -15.273 -5.368 1.00 0.00 H new ATOM 7 N ASP A 2 11.612 -15.161 -2.108 1.00 0.00 N ATOM 8 CA ASP A 2 12.239 -14.291 -1.071 1.00 0.00 C ATOM 9 C ASP A 2 13.763 -14.305 -1.222 1.00 0.00 C ATOM 10 O ASP A 2 14.383 -13.287 -1.457 1.00 0.00 O ATOM 11 CB ASP A 2 11.827 -14.909 0.265 1.00 0.00 C ATOM 12 CG ASP A 2 11.239 -13.824 1.168 1.00 0.00 C ATOM 13 OD1 ASP A 2 11.839 -12.765 1.258 1.00 0.00 O ATOM 14 OD2 ASP A 2 10.198 -14.070 1.755 1.00 0.00 O ATOM 0 H ASP A 2 11.214 -16.033 -1.760 1.00 0.00 H new ATOM 0 HA ASP A 2 11.921 -13.252 -1.155 1.00 0.00 H new ATOM 0 HB2 ASP A 2 11.093 -15.699 0.102 1.00 0.00 H new ATOM 0 HB3 ASP A 2 12.690 -15.370 0.746 1.00 0.00 H new ATOM 19 N THR A 3 14.372 -15.452 -1.087 1.00 0.00 N ATOM 20 CA THR A 3 15.855 -15.529 -1.222 1.00 0.00 C ATOM 21 C THR A 3 16.236 -16.583 -2.265 1.00 0.00 C ATOM 22 O THR A 3 16.320 -17.759 -1.971 1.00 0.00 O ATOM 23 CB THR A 3 16.359 -15.939 0.162 1.00 0.00 C ATOM 24 OG1 THR A 3 15.597 -17.040 0.634 1.00 0.00 O ATOM 25 CG2 THR A 3 16.212 -14.763 1.129 1.00 0.00 C ATOM 0 H THR A 3 13.907 -16.338 -0.889 1.00 0.00 H new ATOM 0 HA THR A 3 16.289 -14.585 -1.550 1.00 0.00 H new ATOM 0 HB THR A 3 17.409 -16.224 0.097 1.00 0.00 H new ATOM 0 HG1 THR A 3 15.579 -17.742 -0.049 1.00 0.00 H new ATOM 0 HG21 THR A 3 16.571 -15.056 2.115 1.00 0.00 H new ATOM 0 HG22 THR A 3 16.797 -13.918 0.766 1.00 0.00 H new ATOM 0 HG23 THR A 3 15.163 -14.476 1.196 1.00 0.00 H new ATOM 33 N LEU A 4 16.465 -16.171 -3.482 1.00 0.00 N ATOM 34 CA LEU A 4 16.840 -17.152 -4.541 1.00 0.00 C ATOM 35 C LEU A 4 15.860 -18.329 -4.543 1.00 0.00 C ATOM 36 O LEU A 4 16.254 -19.477 -4.489 1.00 0.00 O ATOM 37 CB LEU A 4 18.243 -17.625 -4.164 1.00 0.00 C ATOM 38 CG LEU A 4 19.249 -17.119 -5.199 1.00 0.00 C ATOM 39 CD1 LEU A 4 20.420 -16.442 -4.485 1.00 0.00 C ATOM 40 CD2 LEU A 4 19.769 -18.300 -6.022 1.00 0.00 C ATOM 0 H LEU A 4 16.409 -15.200 -3.789 1.00 0.00 H new ATOM 0 HA LEU A 4 16.812 -16.713 -5.538 1.00 0.00 H new ATOM 0 HB2 LEU A 4 18.508 -17.256 -3.173 1.00 0.00 H new ATOM 0 HB3 LEU A 4 18.271 -18.714 -4.117 1.00 0.00 H new ATOM 0 HG LEU A 4 18.762 -16.401 -5.858 1.00 0.00 H new ATOM 0 HD11 LEU A 4 21.137 -16.082 -5.223 1.00 0.00 H new ATOM 0 HD12 LEU A 4 20.051 -15.602 -3.897 1.00 0.00 H new ATOM 0 HD13 LEU A 4 20.908 -17.160 -3.826 1.00 0.00 H new ATOM 0 HD21 LEU A 4 20.486 -17.941 -6.760 1.00 0.00 H new ATOM 0 HD22 LEU A 4 20.256 -19.017 -5.362 1.00 0.00 H new ATOM 0 HD23 LEU A 4 18.935 -18.784 -6.531 1.00 0.00 H new ATOM 52 N GLY A 5 14.586 -18.053 -4.604 1.00 0.00 N ATOM 53 CA GLY A 5 13.584 -19.156 -4.608 1.00 0.00 C ATOM 54 C GLY A 5 12.598 -18.949 -5.760 1.00 0.00 C ATOM 55 O GLY A 5 12.418 -17.850 -6.244 1.00 0.00 O ATOM 0 H GLY A 5 14.196 -17.112 -4.651 1.00 0.00 H new ATOM 0 HA2 GLY A 5 14.087 -20.117 -4.714 1.00 0.00 H new ATOM 0 HA3 GLY A 5 13.050 -19.179 -3.658 1.00 0.00 H new ATOM 59 N ALA A 6 11.958 -19.997 -6.201 1.00 0.00 N ATOM 60 CA ALA A 6 10.982 -19.858 -7.321 1.00 0.00 C ATOM 61 C ALA A 6 9.946 -18.781 -6.989 1.00 0.00 C ATOM 62 O ALA A 6 9.008 -19.016 -6.252 1.00 0.00 O ATOM 63 CB ALA A 6 10.313 -21.228 -7.437 1.00 0.00 C ATOM 0 H ALA A 6 12.068 -20.943 -5.835 1.00 0.00 H new ATOM 0 HA ALA A 6 11.463 -19.560 -8.253 1.00 0.00 H new ATOM 0 HB1 ALA A 6 9.579 -21.207 -8.242 1.00 0.00 H new ATOM 0 HB2 ALA A 6 11.068 -21.984 -7.653 1.00 0.00 H new ATOM 0 HB3 ALA A 6 9.815 -21.470 -6.498 1.00 0.00 H new ATOM 69 N SER A 7 10.106 -17.605 -7.527 1.00 0.00 N ATOM 70 CA SER A 7 9.129 -16.514 -7.243 1.00 0.00 C ATOM 71 C SER A 7 7.707 -16.982 -7.562 1.00 0.00 C ATOM 72 O SER A 7 7.505 -17.948 -8.272 1.00 0.00 O ATOM 73 CB SER A 7 9.535 -15.368 -8.166 1.00 0.00 C ATOM 74 OG SER A 7 8.367 -14.768 -8.712 1.00 0.00 O ATOM 0 H SER A 7 10.871 -17.350 -8.152 1.00 0.00 H new ATOM 0 HA SER A 7 9.137 -16.215 -6.195 1.00 0.00 H new ATOM 0 HB2 SER A 7 10.113 -14.628 -7.613 1.00 0.00 H new ATOM 0 HB3 SER A 7 10.175 -15.740 -8.966 1.00 0.00 H new ATOM 0 HG SER A 7 8.624 -14.031 -9.304 1.00 0.00 H new ATOM 80 N TRP A 8 6.718 -16.305 -7.045 1.00 0.00 N ATOM 81 CA TRP A 8 5.310 -16.711 -7.320 1.00 0.00 C ATOM 82 C TRP A 8 4.733 -15.876 -8.467 1.00 0.00 C ATOM 83 O TRP A 8 4.901 -14.674 -8.518 1.00 0.00 O ATOM 84 CB TRP A 8 4.555 -16.437 -6.018 1.00 0.00 C ATOM 85 CG TRP A 8 4.348 -14.965 -5.856 1.00 0.00 C ATOM 86 CD1 TRP A 8 3.269 -14.279 -6.301 1.00 0.00 C ATOM 87 CD2 TRP A 8 5.218 -13.988 -5.214 1.00 0.00 C ATOM 88 NE1 TRP A 8 3.423 -12.943 -5.972 1.00 0.00 N ATOM 89 CE2 TRP A 8 4.608 -12.714 -5.302 1.00 0.00 C ATOM 90 CE3 TRP A 8 6.465 -14.082 -4.570 1.00 0.00 C ATOM 91 CZ2 TRP A 8 5.213 -11.575 -4.769 1.00 0.00 C ATOM 92 CZ3 TRP A 8 7.076 -12.938 -4.034 1.00 0.00 C ATOM 93 CH2 TRP A 8 6.452 -11.687 -4.133 1.00 0.00 C ATOM 0 H TRP A 8 6.824 -15.488 -6.444 1.00 0.00 H new ATOM 0 HA TRP A 8 5.232 -17.756 -7.621 1.00 0.00 H new ATOM 0 HB2 TRP A 8 3.593 -16.950 -6.029 1.00 0.00 H new ATOM 0 HB3 TRP A 8 5.117 -16.830 -5.171 1.00 0.00 H new ATOM 0 HD1 TRP A 8 2.427 -14.704 -6.826 1.00 0.00 H new ATOM 0 HE1 TRP A 8 2.744 -12.216 -6.197 1.00 0.00 H new ATOM 0 HE3 TRP A 8 6.955 -15.041 -4.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 4.727 -10.614 -4.848 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 8.034 -13.022 -3.542 1.00 0.00 H new ATOM 0 HH2 TRP A 8 6.928 -10.811 -3.718 1.00 0.00 H new ATOM 104 N HIS A 9 4.055 -16.504 -9.388 1.00 0.00 N ATOM 105 CA HIS A 9 3.468 -15.746 -10.530 1.00 0.00 C ATOM 106 C HIS A 9 1.955 -15.968 -10.590 1.00 0.00 C ATOM 107 O HIS A 9 1.428 -16.456 -11.571 1.00 0.00 O ATOM 108 CB HIS A 9 4.143 -16.321 -11.776 1.00 0.00 C ATOM 109 CG HIS A 9 5.096 -15.305 -12.344 1.00 0.00 C ATOM 110 ND1 HIS A 9 4.810 -13.949 -12.358 1.00 0.00 N ATOM 111 CD2 HIS A 9 6.335 -15.433 -12.924 1.00 0.00 C ATOM 112 CE1 HIS A 9 5.855 -13.320 -12.927 1.00 0.00 C ATOM 113 NE2 HIS A 9 6.811 -14.178 -13.290 1.00 0.00 N ATOM 0 H HIS A 9 3.882 -17.509 -9.400 1.00 0.00 H new ATOM 0 HA HIS A 9 3.628 -14.672 -10.438 1.00 0.00 H new ATOM 0 HB2 HIS A 9 4.678 -17.236 -11.523 1.00 0.00 H new ATOM 0 HB3 HIS A 9 3.392 -16.587 -12.520 1.00 0.00 H new ATOM 0 HD2 HIS A 9 6.859 -16.365 -13.073 1.00 0.00 H new ATOM 0 HE1 HIS A 9 5.913 -12.251 -13.072 1.00 0.00 H new ATOM 0 HE2 HIS A 9 7.700 -13.960 -13.740 1.00 0.00 H new ATOM 121 N ARG A 10 1.251 -15.614 -9.550 1.00 0.00 N ATOM 122 CA ARG A 10 -0.228 -15.805 -9.550 1.00 0.00 C ATOM 123 C ARG A 10 -0.913 -14.635 -10.260 1.00 0.00 C ATOM 124 O ARG A 10 -0.295 -13.624 -10.529 1.00 0.00 O ATOM 125 CB ARG A 10 -0.623 -15.842 -8.074 1.00 0.00 C ATOM 126 CG ARG A 10 -0.392 -17.248 -7.516 1.00 0.00 C ATOM 127 CD ARG A 10 -1.670 -18.077 -7.669 1.00 0.00 C ATOM 128 NE ARG A 10 -1.242 -19.487 -7.455 1.00 0.00 N ATOM 129 CZ ARG A 10 -0.989 -20.254 -8.480 1.00 0.00 C ATOM 130 NH1 ARG A 10 -0.760 -19.725 -9.651 1.00 0.00 N ATOM 131 NH2 ARG A 10 -0.964 -21.551 -8.335 1.00 0.00 N ATOM 0 H ARG A 10 1.635 -15.201 -8.700 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.527 -16.713 -10.074 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -0.036 -15.116 -7.512 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.670 -15.562 -7.960 1.00 0.00 H new ATOM 0 HG2 ARG A 10 0.431 -17.729 -8.044 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.107 -17.191 -6.466 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.424 -17.778 -6.941 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.111 -17.944 -8.657 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.147 -19.853 -6.508 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -0.779 -18.712 -9.765 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -0.562 -20.325 -10.452 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -1.142 -21.965 -7.420 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.766 -22.150 -9.137 1.00 0.00 H new ATOM 145 N PRO A 11 -2.174 -14.817 -10.542 1.00 0.00 N ATOM 146 CA PRO A 11 -2.962 -13.766 -11.231 1.00 0.00 C ATOM 147 C PRO A 11 -3.267 -12.610 -10.274 1.00 0.00 C ATOM 148 O PRO A 11 -2.609 -12.434 -9.268 1.00 0.00 O ATOM 149 CB PRO A 11 -4.243 -14.488 -11.637 1.00 0.00 C ATOM 150 CG PRO A 11 -4.372 -15.624 -10.673 1.00 0.00 C ATOM 151 CD PRO A 11 -2.978 -16.008 -10.248 1.00 0.00 C ATOM 0 HA PRO A 11 -2.439 -13.326 -12.080 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.105 -13.823 -11.581 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.184 -14.847 -12.664 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.970 -15.331 -9.810 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -4.879 -16.469 -11.140 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.940 -16.263 -9.189 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -2.619 -16.877 -10.798 1.00 0.00 H new ATOM 159 N ASP A 12 -4.261 -11.821 -10.579 1.00 0.00 N ATOM 160 CA ASP A 12 -4.608 -10.677 -9.687 1.00 0.00 C ATOM 161 C ASP A 12 -5.583 -11.134 -8.598 1.00 0.00 C ATOM 162 O ASP A 12 -6.667 -10.603 -8.458 1.00 0.00 O ATOM 163 CB ASP A 12 -5.270 -9.648 -10.603 1.00 0.00 C ATOM 164 CG ASP A 12 -4.871 -8.238 -10.160 1.00 0.00 C ATOM 165 OD1 ASP A 12 -3.761 -8.083 -9.680 1.00 0.00 O ATOM 166 OD2 ASP A 12 -5.683 -7.340 -10.307 1.00 0.00 O ATOM 0 H ASP A 12 -4.848 -11.919 -11.407 1.00 0.00 H new ATOM 0 HA ASP A 12 -3.734 -10.268 -9.180 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.965 -9.816 -11.636 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.354 -9.759 -10.568 1.00 0.00 H new ATOM 171 N LYS A 13 -5.203 -12.114 -7.826 1.00 0.00 N ATOM 172 CA LYS A 13 -6.101 -12.609 -6.746 1.00 0.00 C ATOM 173 C LYS A 13 -6.638 -11.439 -5.917 1.00 0.00 C ATOM 174 O LYS A 13 -6.343 -10.290 -6.180 1.00 0.00 O ATOM 175 CB LYS A 13 -5.219 -13.514 -5.888 1.00 0.00 C ATOM 176 CG LYS A 13 -3.977 -12.738 -5.441 1.00 0.00 C ATOM 177 CD LYS A 13 -2.988 -13.695 -4.772 1.00 0.00 C ATOM 178 CE LYS A 13 -2.825 -14.949 -5.635 1.00 0.00 C ATOM 179 NZ LYS A 13 -1.668 -15.676 -5.044 1.00 0.00 N ATOM 0 H LYS A 13 -4.306 -12.595 -7.897 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.969 -13.136 -7.141 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.775 -13.864 -5.018 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.925 -14.397 -6.455 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.509 -12.256 -6.299 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.260 -11.947 -4.746 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.024 -13.204 -4.640 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.345 -13.968 -3.779 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.727 -15.561 -5.616 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.638 -14.689 -6.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.769 -16.695 -5.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -0.786 -15.334 -5.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -1.640 -15.508 -4.018 1.00 0.00 H new ATOM 193 N CYS A 14 -7.427 -11.724 -4.918 1.00 0.00 N ATOM 194 CA CYS A 14 -7.987 -10.633 -4.070 1.00 0.00 C ATOM 195 C CYS A 14 -6.890 -9.642 -3.677 1.00 0.00 C ATOM 196 O CYS A 14 -7.109 -8.447 -3.626 1.00 0.00 O ATOM 197 CB CYS A 14 -8.539 -11.338 -2.832 1.00 0.00 C ATOM 198 SG CYS A 14 -10.268 -11.789 -3.115 1.00 0.00 S ATOM 0 H CYS A 14 -7.709 -12.667 -4.651 1.00 0.00 H new ATOM 0 HA CYS A 14 -8.754 -10.061 -4.593 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -7.950 -12.229 -2.615 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -8.460 -10.685 -1.963 1.00 0.00 H new ATOM 203 N CYS A 15 -5.716 -10.127 -3.393 1.00 0.00 N ATOM 204 CA CYS A 15 -4.610 -9.209 -2.999 1.00 0.00 C ATOM 205 C CYS A 15 -3.322 -9.999 -2.753 1.00 0.00 C ATOM 206 O CYS A 15 -3.294 -11.210 -2.849 1.00 0.00 O ATOM 207 CB CYS A 15 -5.089 -8.555 -1.701 1.00 0.00 C ATOM 208 SG CYS A 15 -4.988 -6.756 -1.856 1.00 0.00 S ATOM 0 H CYS A 15 -5.473 -11.117 -3.416 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.388 -8.476 -3.774 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -6.115 -8.855 -1.488 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.478 -8.893 -0.864 1.00 0.00 H new ATOM 213 N LEU A 16 -2.255 -9.319 -2.426 1.00 0.00 N ATOM 214 CA LEU A 16 -0.967 -10.023 -2.162 1.00 0.00 C ATOM 215 C LEU A 16 -0.934 -10.516 -0.716 1.00 0.00 C ATOM 216 O LEU A 16 0.111 -10.811 -0.172 1.00 0.00 O ATOM 217 CB LEU A 16 0.111 -8.962 -2.378 1.00 0.00 C ATOM 218 CG LEU A 16 0.596 -9.013 -3.827 1.00 0.00 C ATOM 219 CD1 LEU A 16 0.163 -7.741 -4.557 1.00 0.00 C ATOM 220 CD2 LEU A 16 2.123 -9.117 -3.849 1.00 0.00 C ATOM 0 H LEU A 16 -2.220 -8.304 -2.330 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.827 -10.890 -2.807 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.287 -7.973 -2.152 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.946 -9.133 -1.698 1.00 0.00 H new ATOM 0 HG LEU A 16 0.163 -9.881 -4.324 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.509 -7.778 -5.590 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.924 -7.665 -4.541 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.595 -6.872 -4.061 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.470 -9.153 -4.882 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.554 -8.248 -3.352 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.433 -10.024 -3.330 1.00 0.00 H new ATOM 232 N GLY A 17 -2.072 -10.587 -0.085 1.00 0.00 N ATOM 233 CA GLY A 17 -2.108 -11.037 1.332 1.00 0.00 C ATOM 234 C GLY A 17 -1.667 -9.870 2.211 1.00 0.00 C ATOM 235 O GLY A 17 -2.432 -9.355 2.990 1.00 0.00 O ATOM 0 H GLY A 17 -2.978 -10.353 -0.490 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.113 -11.360 1.604 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.449 -11.893 1.477 1.00 0.00 H new ATOM 239 N TYR A 18 -0.434 -9.458 2.062 1.00 0.00 N ATOM 240 CA TYR A 18 0.126 -8.313 2.841 1.00 0.00 C ATOM 241 C TYR A 18 1.592 -8.108 2.454 1.00 0.00 C ATOM 242 O TYR A 18 2.387 -9.027 2.486 1.00 0.00 O ATOM 243 CB TYR A 18 0.004 -8.701 4.313 1.00 0.00 C ATOM 244 CG TYR A 18 -1.307 -8.198 4.890 1.00 0.00 C ATOM 245 CD1 TYR A 18 -2.252 -7.558 4.072 1.00 0.00 C ATOM 246 CD2 TYR A 18 -1.570 -8.366 6.254 1.00 0.00 C ATOM 247 CE1 TYR A 18 -3.453 -7.094 4.618 1.00 0.00 C ATOM 248 CE2 TYR A 18 -2.773 -7.902 6.800 1.00 0.00 C ATOM 249 CZ TYR A 18 -3.714 -7.266 5.983 1.00 0.00 C ATOM 250 OH TYR A 18 -4.899 -6.808 6.521 1.00 0.00 O ATOM 0 H TYR A 18 0.228 -9.882 1.412 1.00 0.00 H new ATOM 0 HA TYR A 18 -0.403 -7.381 2.642 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.061 -9.785 4.415 1.00 0.00 H new ATOM 0 HB3 TYR A 18 0.839 -8.284 4.875 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -2.051 -7.424 3.019 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -0.844 -8.854 6.887 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.179 -6.603 3.987 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.975 -8.035 7.853 1.00 0.00 H new ATOM 0 HH TYR A 18 -5.635 -7.003 5.904 1.00 0.00 H new ATOM 260 N GLN A 19 1.951 -6.915 2.078 1.00 0.00 N ATOM 261 CA GLN A 19 3.360 -6.651 1.676 1.00 0.00 C ATOM 262 C GLN A 19 4.325 -7.138 2.759 1.00 0.00 C ATOM 263 O GLN A 19 4.213 -6.784 3.915 1.00 0.00 O ATOM 264 CB GLN A 19 3.444 -5.130 1.496 1.00 0.00 C ATOM 265 CG GLN A 19 4.849 -4.631 1.830 1.00 0.00 C ATOM 266 CD GLN A 19 5.750 -4.809 0.610 1.00 0.00 C ATOM 267 OE1 GLN A 19 6.410 -3.882 0.186 1.00 0.00 O ATOM 268 NE2 GLN A 19 5.810 -5.971 0.027 1.00 0.00 N ATOM 0 H GLN A 19 1.329 -6.108 2.031 1.00 0.00 H new ATOM 0 HA GLN A 19 3.637 -7.177 0.763 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.191 -4.864 0.470 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.714 -4.640 2.141 1.00 0.00 H new ATOM 0 HG2 GLN A 19 4.815 -3.581 2.121 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.252 -5.184 2.678 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.256 -6.750 0.383 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.411 -6.103 -0.786 1.00 0.00 H new ATOM 277 N LYS A 20 5.282 -7.939 2.382 1.00 0.00 N ATOM 278 CA LYS A 20 6.272 -8.446 3.375 1.00 0.00 C ATOM 279 C LYS A 20 7.495 -7.527 3.393 1.00 0.00 C ATOM 280 O LYS A 20 8.028 -7.204 4.435 1.00 0.00 O ATOM 281 CB LYS A 20 6.653 -9.840 2.877 1.00 0.00 C ATOM 282 CG LYS A 20 6.302 -10.878 3.945 1.00 0.00 C ATOM 283 CD LYS A 20 5.054 -11.652 3.512 1.00 0.00 C ATOM 284 CE LYS A 20 4.327 -12.179 4.750 1.00 0.00 C ATOM 285 NZ LYS A 20 3.501 -11.035 5.226 1.00 0.00 N ATOM 0 H LYS A 20 5.422 -8.266 1.426 1.00 0.00 H new ATOM 0 HA LYS A 20 5.874 -8.476 4.389 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.125 -10.063 1.950 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.719 -9.879 2.654 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.137 -11.564 4.089 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.125 -10.386 4.901 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.393 -11.004 2.937 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.334 -12.480 2.861 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.705 -13.040 4.506 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.033 -12.502 5.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.472 -11.036 6.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.919 -10.143 4.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.535 -11.126 4.853 1.00 0.00 H new ATOM 299 N ARG A 21 7.933 -7.098 2.241 1.00 0.00 N ATOM 300 CA ARG A 21 9.112 -6.189 2.178 1.00 0.00 C ATOM 301 C ARG A 21 8.663 -4.750 2.406 1.00 0.00 C ATOM 302 O ARG A 21 7.507 -4.423 2.247 1.00 0.00 O ATOM 303 CB ARG A 21 9.676 -6.366 0.768 1.00 0.00 C ATOM 304 CG ARG A 21 10.806 -7.397 0.801 1.00 0.00 C ATOM 305 CD ARG A 21 11.612 -7.320 -0.499 1.00 0.00 C ATOM 306 NE ARG A 21 12.351 -8.610 -0.566 1.00 0.00 N ATOM 307 CZ ARG A 21 13.225 -8.815 -1.513 1.00 0.00 C ATOM 308 NH1 ARG A 21 13.643 -7.817 -2.243 1.00 0.00 N ATOM 309 NH2 ARG A 21 13.684 -10.018 -1.727 1.00 0.00 N ATOM 0 H ARG A 21 7.524 -7.339 1.338 1.00 0.00 H new ATOM 0 HA ARG A 21 9.859 -6.416 2.939 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.890 -6.693 0.088 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.048 -5.414 0.391 1.00 0.00 H new ATOM 0 HG2 ARG A 21 11.457 -7.211 1.655 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.394 -8.398 0.926 1.00 0.00 H new ATOM 0 HD2 ARG A 21 10.959 -7.193 -1.362 1.00 0.00 H new ATOM 0 HD3 ARG A 21 12.297 -6.472 -0.490 1.00 0.00 H new ATOM 0 HE ARG A 21 12.174 -9.335 0.129 1.00 0.00 H new ATOM 0 HH11 ARG A 21 13.286 -6.877 -2.073 1.00 0.00 H new ATOM 0 HH12 ARG A 21 14.326 -7.978 -2.983 1.00 0.00 H new ATOM 0 HH21 ARG A 21 13.359 -10.797 -1.154 1.00 0.00 H new ATOM 0 HH22 ARG A 21 14.367 -10.179 -2.467 1.00 0.00 H new ATOM 323 N PRO A 22 9.602 -3.940 2.776 1.00 0.00 N ATOM 324 CA PRO A 22 9.315 -2.514 3.034 1.00 0.00 C ATOM 325 C PRO A 22 8.994 -1.778 1.737 1.00 0.00 C ATOM 326 O PRO A 22 9.627 -1.972 0.718 1.00 0.00 O ATOM 327 CB PRO A 22 10.596 -1.995 3.664 1.00 0.00 C ATOM 328 CG PRO A 22 11.664 -2.935 3.196 1.00 0.00 C ATOM 329 CD PRO A 22 11.011 -4.272 2.985 1.00 0.00 C ATOM 0 HA PRO A 22 8.446 -2.366 3.675 1.00 0.00 H new ATOM 0 HB2 PRO A 22 10.805 -0.972 3.350 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.526 -1.986 4.752 1.00 0.00 H new ATOM 0 HG2 PRO A 22 12.115 -2.576 2.271 1.00 0.00 H new ATOM 0 HG3 PRO A 22 12.463 -3.008 3.933 1.00 0.00 H new ATOM 0 HD2 PRO A 22 11.432 -4.792 2.124 1.00 0.00 H new ATOM 0 HD3 PRO A 22 11.145 -4.924 3.848 1.00 0.00 H new ATOM 337 N LEU A 23 8.002 -0.944 1.778 1.00 0.00 N ATOM 338 CA LEU A 23 7.602 -0.187 0.564 1.00 0.00 C ATOM 339 C LEU A 23 7.567 1.316 0.849 1.00 0.00 C ATOM 340 O LEU A 23 6.982 1.754 1.818 1.00 0.00 O ATOM 341 CB LEU A 23 6.211 -0.707 0.233 1.00 0.00 C ATOM 342 CG LEU A 23 6.291 -1.541 -1.035 1.00 0.00 C ATOM 343 CD1 LEU A 23 4.982 -2.312 -1.228 1.00 0.00 C ATOM 344 CD2 LEU A 23 6.522 -0.613 -2.231 1.00 0.00 C ATOM 0 H LEU A 23 7.443 -0.751 2.609 1.00 0.00 H new ATOM 0 HA LEU A 23 8.302 -0.324 -0.260 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.826 -1.308 1.057 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.520 0.124 0.095 1.00 0.00 H new ATOM 0 HG LEU A 23 7.115 -2.250 -0.956 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.042 -2.909 -2.138 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.817 -2.968 -0.374 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.154 -1.608 -1.310 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.581 -1.205 -3.145 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.695 0.093 -2.308 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.455 -0.066 -2.092 1.00 0.00 H new ATOM 356 N PRO A 24 8.204 2.054 -0.020 1.00 0.00 N ATOM 357 CA PRO A 24 8.258 3.528 0.122 1.00 0.00 C ATOM 358 C PRO A 24 6.909 4.151 -0.247 1.00 0.00 C ATOM 359 O PRO A 24 5.967 3.465 -0.592 1.00 0.00 O ATOM 360 CB PRO A 24 9.336 3.943 -0.874 1.00 0.00 C ATOM 361 CG PRO A 24 9.365 2.851 -1.894 1.00 0.00 C ATOM 362 CD PRO A 24 8.928 1.585 -1.205 1.00 0.00 C ATOM 0 HA PRO A 24 8.475 3.853 1.140 1.00 0.00 H new ATOM 0 HB2 PRO A 24 9.101 4.904 -1.332 1.00 0.00 H new ATOM 0 HB3 PRO A 24 10.304 4.051 -0.385 1.00 0.00 H new ATOM 0 HG2 PRO A 24 8.701 3.085 -2.726 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.367 2.738 -2.308 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.289 0.981 -1.849 1.00 0.00 H new ATOM 0 HD3 PRO A 24 9.782 0.965 -0.931 1.00 0.00 H new ATOM 370 N GLN A 25 6.813 5.449 -0.172 1.00 0.00 N ATOM 371 CA GLN A 25 5.535 6.131 -0.509 1.00 0.00 C ATOM 372 C GLN A 25 5.739 7.112 -1.666 1.00 0.00 C ATOM 373 O GLN A 25 4.879 7.280 -2.509 1.00 0.00 O ATOM 374 CB GLN A 25 5.145 6.882 0.763 1.00 0.00 C ATOM 375 CG GLN A 25 3.810 7.598 0.550 1.00 0.00 C ATOM 376 CD GLN A 25 4.064 9.085 0.296 1.00 0.00 C ATOM 377 OE1 GLN A 25 3.594 9.637 -0.679 1.00 0.00 O ATOM 378 NE2 GLN A 25 4.792 9.762 1.142 1.00 0.00 N ATOM 0 H GLN A 25 7.571 6.070 0.110 1.00 0.00 H new ATOM 0 HA GLN A 25 4.765 5.427 -0.826 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.066 6.186 1.598 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.919 7.604 1.022 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.280 7.159 -0.296 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.173 7.471 1.426 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.186 9.298 1.960 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.966 10.755 0.985 1.00 0.00 H new ATOM 387 N VAL A 26 6.869 7.762 -1.714 1.00 0.00 N ATOM 388 CA VAL A 26 7.125 8.728 -2.813 1.00 0.00 C ATOM 389 C VAL A 26 7.207 7.993 -4.154 1.00 0.00 C ATOM 390 O VAL A 26 7.278 8.600 -5.203 1.00 0.00 O ATOM 391 CB VAL A 26 8.464 9.369 -2.451 1.00 0.00 C ATOM 392 CG1 VAL A 26 9.208 9.765 -3.723 1.00 0.00 C ATOM 393 CG2 VAL A 26 8.216 10.614 -1.597 1.00 0.00 C ATOM 0 H VAL A 26 7.626 7.664 -1.037 1.00 0.00 H new ATOM 0 HA VAL A 26 6.334 9.470 -2.919 1.00 0.00 H new ATOM 0 HB VAL A 26 9.066 8.654 -1.891 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.162 10.222 -3.459 1.00 0.00 H new ATOM 0 HG12 VAL A 26 9.386 8.878 -4.331 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.608 10.478 -4.288 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.170 11.073 -1.337 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.612 11.326 -2.159 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.690 10.331 -0.685 1.00 0.00 H new ATOM 403 N LEU A 27 7.198 6.688 -4.126 1.00 0.00 N ATOM 404 CA LEU A 27 7.274 5.916 -5.399 1.00 0.00 C ATOM 405 C LEU A 27 5.877 5.455 -5.821 1.00 0.00 C ATOM 406 O LEU A 27 5.618 5.217 -6.985 1.00 0.00 O ATOM 407 CB LEU A 27 8.163 4.713 -5.079 1.00 0.00 C ATOM 408 CG LEU A 27 9.573 4.964 -5.615 1.00 0.00 C ATOM 409 CD1 LEU A 27 10.296 5.958 -4.703 1.00 0.00 C ATOM 410 CD2 LEU A 27 10.348 3.646 -5.644 1.00 0.00 C ATOM 0 H LEU A 27 7.141 6.124 -3.278 1.00 0.00 H new ATOM 0 HA LEU A 27 7.673 6.511 -6.221 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.196 4.548 -4.002 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.747 3.811 -5.527 1.00 0.00 H new ATOM 0 HG LEU A 27 9.511 5.373 -6.623 1.00 0.00 H new ATOM 0 HD11 LEU A 27 11.301 6.137 -5.085 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.744 6.898 -4.679 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.358 5.548 -3.695 1.00 0.00 H new ATOM 0 HD21 LEU A 27 11.353 3.823 -6.026 1.00 0.00 H new ATOM 0 HD22 LEU A 27 10.410 3.238 -4.635 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.834 2.936 -6.292 1.00 0.00 H new ATOM 422 N LEU A 28 4.973 5.323 -4.888 1.00 0.00 N ATOM 423 CA LEU A 28 3.599 4.876 -5.241 1.00 0.00 C ATOM 424 C LEU A 28 2.683 6.082 -5.448 1.00 0.00 C ATOM 425 O LEU A 28 3.011 7.192 -5.077 1.00 0.00 O ATOM 426 CB LEU A 28 3.133 4.054 -4.043 1.00 0.00 C ATOM 427 CG LEU A 28 4.230 3.070 -3.636 1.00 0.00 C ATOM 428 CD1 LEU A 28 3.925 2.509 -2.246 1.00 0.00 C ATOM 429 CD2 LEU A 28 4.283 1.922 -4.646 1.00 0.00 C ATOM 0 H LEU A 28 5.129 5.506 -3.897 1.00 0.00 H new ATOM 0 HA LEU A 28 3.579 4.301 -6.167 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.894 4.713 -3.208 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.220 3.513 -4.294 1.00 0.00 H new ATOM 0 HG LEU A 28 5.190 3.585 -3.617 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.708 1.808 -1.957 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.885 3.325 -1.525 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.965 1.994 -2.264 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.065 1.219 -4.357 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.322 1.408 -4.664 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.500 2.319 -5.637 1.00 0.00 H new ATOM 441 N SER A 29 1.536 5.881 -6.040 1.00 0.00 N ATOM 442 CA SER A 29 0.612 7.028 -6.265 1.00 0.00 C ATOM 443 C SER A 29 -0.408 7.141 -5.130 1.00 0.00 C ATOM 444 O SER A 29 -0.385 8.075 -4.354 1.00 0.00 O ATOM 445 CB SER A 29 -0.092 6.725 -7.585 1.00 0.00 C ATOM 446 OG SER A 29 -0.940 7.815 -7.924 1.00 0.00 O ATOM 0 H SER A 29 1.201 4.978 -6.375 1.00 0.00 H new ATOM 0 HA SER A 29 1.150 7.976 -6.295 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.643 6.561 -8.373 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.675 5.808 -7.498 1.00 0.00 H new ATOM 0 HG SER A 29 -1.393 7.626 -8.772 1.00 0.00 H new ATOM 452 N SER A 30 -1.310 6.207 -5.038 1.00 0.00 N ATOM 453 CA SER A 30 -2.341 6.272 -3.961 1.00 0.00 C ATOM 454 C SER A 30 -2.636 4.876 -3.403 1.00 0.00 C ATOM 455 O SER A 30 -1.849 3.962 -3.540 1.00 0.00 O ATOM 456 CB SER A 30 -3.581 6.848 -4.645 1.00 0.00 C ATOM 457 OG SER A 30 -3.821 6.140 -5.854 1.00 0.00 O ATOM 0 H SER A 30 -1.380 5.401 -5.660 1.00 0.00 H new ATOM 0 HA SER A 30 -2.013 6.878 -3.117 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.445 6.768 -3.985 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.436 7.908 -4.853 1.00 0.00 H new ATOM 0 HG SER A 30 -4.612 5.572 -5.749 1.00 0.00 H new ATOM 463 N TRP A 31 -3.767 4.712 -2.769 1.00 0.00 N ATOM 464 CA TRP A 31 -4.125 3.382 -2.193 1.00 0.00 C ATOM 465 C TRP A 31 -5.637 3.292 -1.990 1.00 0.00 C ATOM 466 O TRP A 31 -6.322 4.291 -1.914 1.00 0.00 O ATOM 467 CB TRP A 31 -3.427 3.331 -0.838 1.00 0.00 C ATOM 468 CG TRP A 31 -3.997 4.395 0.038 1.00 0.00 C ATOM 469 CD1 TRP A 31 -3.769 5.715 -0.117 1.00 0.00 C ATOM 470 CD2 TRP A 31 -4.887 4.264 1.186 1.00 0.00 C ATOM 471 NE1 TRP A 31 -4.450 6.408 0.867 1.00 0.00 N ATOM 472 CE2 TRP A 31 -5.156 5.556 1.695 1.00 0.00 C ATOM 473 CE3 TRP A 31 -5.476 3.161 1.830 1.00 0.00 C ATOM 474 CZ2 TRP A 31 -5.982 5.749 2.803 1.00 0.00 C ATOM 475 CZ3 TRP A 31 -6.308 3.351 2.946 1.00 0.00 C ATOM 476 CH2 TRP A 31 -6.560 4.642 3.432 1.00 0.00 C ATOM 0 H TRP A 31 -4.461 5.445 -2.625 1.00 0.00 H new ATOM 0 HA TRP A 31 -3.825 2.562 -2.846 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -3.564 2.352 -0.380 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -2.354 3.478 -0.961 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -3.154 6.159 -0.886 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -4.433 7.423 0.969 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -5.288 2.162 1.465 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -6.173 6.746 3.172 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -6.756 2.497 3.433 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -7.200 4.781 4.291 1.00 0.00 H new ATOM 487 N TYR A 32 -6.159 2.106 -1.875 1.00 0.00 N ATOM 488 CA TYR A 32 -7.626 1.967 -1.648 1.00 0.00 C ATOM 489 C TYR A 32 -7.903 0.786 -0.712 1.00 0.00 C ATOM 490 O TYR A 32 -7.319 -0.271 -0.848 1.00 0.00 O ATOM 491 CB TYR A 32 -8.243 1.770 -3.040 1.00 0.00 C ATOM 492 CG TYR A 32 -8.148 0.329 -3.475 1.00 0.00 C ATOM 493 CD1 TYR A 32 -8.881 -0.654 -2.806 1.00 0.00 C ATOM 494 CD2 TYR A 32 -7.339 -0.019 -4.561 1.00 0.00 C ATOM 495 CE1 TYR A 32 -8.806 -1.988 -3.219 1.00 0.00 C ATOM 496 CE2 TYR A 32 -7.261 -1.353 -4.975 1.00 0.00 C ATOM 497 CZ TYR A 32 -7.995 -2.338 -4.305 1.00 0.00 C ATOM 498 OH TYR A 32 -7.919 -3.654 -4.713 1.00 0.00 O ATOM 0 H TYR A 32 -5.639 1.230 -1.928 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.061 2.841 -1.162 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -9.288 2.081 -3.026 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.731 2.406 -3.762 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -9.507 -0.383 -1.968 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -6.775 0.742 -5.080 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -9.373 -2.747 -2.701 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -6.634 -1.623 -5.812 1.00 0.00 H new ATOM 0 HH TYR A 32 -7.313 -3.724 -5.480 1.00 0.00 H new ATOM 508 N PRO A 33 -8.774 1.027 0.231 1.00 0.00 N ATOM 509 CA PRO A 33 -9.131 -0.006 1.239 1.00 0.00 C ATOM 510 C PRO A 33 -9.901 -1.164 0.599 1.00 0.00 C ATOM 511 O PRO A 33 -10.511 -1.021 -0.440 1.00 0.00 O ATOM 512 CB PRO A 33 -10.007 0.753 2.231 1.00 0.00 C ATOM 513 CG PRO A 33 -10.561 1.890 1.447 1.00 0.00 C ATOM 514 CD PRO A 33 -9.510 2.274 0.443 1.00 0.00 C ATOM 0 HA PRO A 33 -8.257 -0.461 1.705 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -10.801 0.119 2.625 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -9.427 1.105 3.084 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.486 1.602 0.948 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -10.799 2.730 2.099 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.953 2.642 -0.482 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -8.862 3.064 0.822 1.00 0.00 H new ATOM 522 N THR A 34 -9.875 -2.313 1.216 1.00 0.00 N ATOM 523 CA THR A 34 -10.600 -3.484 0.644 1.00 0.00 C ATOM 524 C THR A 34 -11.821 -3.817 1.504 1.00 0.00 C ATOM 525 O THR A 34 -12.149 -3.107 2.434 1.00 0.00 O ATOM 526 CB THR A 34 -9.594 -4.642 0.679 1.00 0.00 C ATOM 527 OG1 THR A 34 -9.778 -5.385 1.874 1.00 0.00 O ATOM 528 CG2 THR A 34 -8.161 -4.099 0.632 1.00 0.00 C ATOM 0 H THR A 34 -9.383 -2.492 2.091 1.00 0.00 H new ATOM 0 HA THR A 34 -10.959 -3.289 -0.367 1.00 0.00 H new ATOM 0 HB THR A 34 -9.758 -5.284 -0.186 1.00 0.00 H new ATOM 0 HG1 THR A 34 -10.344 -6.164 1.691 1.00 0.00 H new ATOM 0 HG21 THR A 34 -7.456 -4.930 0.657 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.018 -3.529 -0.286 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.989 -3.451 1.491 1.00 0.00 H new ATOM 536 N SER A 35 -12.501 -4.888 1.200 1.00 0.00 N ATOM 537 CA SER A 35 -13.702 -5.261 2.002 1.00 0.00 C ATOM 538 C SER A 35 -13.523 -6.653 2.612 1.00 0.00 C ATOM 539 O SER A 35 -12.442 -7.208 2.615 1.00 0.00 O ATOM 540 CB SER A 35 -14.858 -5.259 1.003 1.00 0.00 C ATOM 541 OG SER A 35 -16.060 -4.912 1.678 1.00 0.00 O ATOM 0 H SER A 35 -12.278 -5.521 0.432 1.00 0.00 H new ATOM 0 HA SER A 35 -13.875 -4.574 2.830 1.00 0.00 H new ATOM 0 HB2 SER A 35 -14.660 -4.548 0.201 1.00 0.00 H new ATOM 0 HB3 SER A 35 -14.957 -6.241 0.541 1.00 0.00 H new ATOM 0 HG SER A 35 -16.804 -4.908 1.040 1.00 0.00 H new ATOM 547 N GLN A 36 -14.579 -7.222 3.128 1.00 0.00 N ATOM 548 CA GLN A 36 -14.472 -8.579 3.737 1.00 0.00 C ATOM 549 C GLN A 36 -14.978 -9.638 2.753 1.00 0.00 C ATOM 550 O GLN A 36 -15.051 -10.809 3.068 1.00 0.00 O ATOM 551 CB GLN A 36 -15.365 -8.526 4.976 1.00 0.00 C ATOM 552 CG GLN A 36 -15.368 -9.894 5.662 1.00 0.00 C ATOM 553 CD GLN A 36 -16.788 -10.463 5.662 1.00 0.00 C ATOM 554 OE1 GLN A 36 -17.534 -10.267 4.724 1.00 0.00 O ATOM 555 NE2 GLN A 36 -17.196 -11.167 6.682 1.00 0.00 N ATOM 0 H GLN A 36 -15.510 -6.806 3.154 1.00 0.00 H new ATOM 0 HA GLN A 36 -13.444 -8.843 3.987 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -15.004 -7.763 5.665 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -16.380 -8.247 4.694 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -14.693 -10.574 5.143 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -15.003 -9.800 6.685 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -16.570 -11.332 7.470 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -18.141 -11.552 6.691 1.00 0.00 H new ATOM 564 N LEU A 37 -15.326 -9.233 1.561 1.00 0.00 N ATOM 565 CA LEU A 37 -15.825 -10.216 0.555 1.00 0.00 C ATOM 566 C LEU A 37 -14.698 -11.168 0.149 1.00 0.00 C ATOM 567 O LEU A 37 -14.935 -12.275 -0.293 1.00 0.00 O ATOM 568 CB LEU A 37 -16.267 -9.370 -0.639 1.00 0.00 C ATOM 569 CG LEU A 37 -17.659 -9.812 -1.093 1.00 0.00 C ATOM 570 CD1 LEU A 37 -17.593 -11.241 -1.636 1.00 0.00 C ATOM 571 CD2 LEU A 37 -18.621 -9.765 0.095 1.00 0.00 C ATOM 0 H LEU A 37 -15.287 -8.266 1.240 1.00 0.00 H new ATOM 0 HA LEU A 37 -16.638 -10.830 0.942 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -16.281 -8.315 -0.365 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -15.555 -9.478 -1.457 1.00 0.00 H new ATOM 0 HG LEU A 37 -18.013 -9.142 -1.877 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -18.586 -11.554 -1.959 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -16.908 -11.277 -2.483 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -17.238 -11.912 -0.853 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -19.613 -10.080 -0.228 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -18.265 -10.434 0.878 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -18.671 -8.747 0.482 1.00 0.00 H new ATOM 583 N CYS A 38 -13.472 -10.745 0.296 1.00 0.00 N ATOM 584 CA CYS A 38 -12.329 -11.623 -0.081 1.00 0.00 C ATOM 585 C CYS A 38 -11.910 -12.485 1.113 1.00 0.00 C ATOM 586 O CYS A 38 -12.651 -12.648 2.063 1.00 0.00 O ATOM 587 CB CYS A 38 -11.206 -10.662 -0.471 1.00 0.00 C ATOM 588 SG CYS A 38 -11.314 -10.299 -2.240 1.00 0.00 S ATOM 0 H CYS A 38 -13.213 -9.829 0.661 1.00 0.00 H new ATOM 0 HA CYS A 38 -12.580 -12.306 -0.892 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -11.284 -9.741 0.106 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -10.237 -11.103 -0.237 1.00 0.00 H new ATOM 593 N SER A 39 -10.728 -13.039 1.074 1.00 0.00 N ATOM 594 CA SER A 39 -10.267 -13.889 2.208 1.00 0.00 C ATOM 595 C SER A 39 -9.869 -13.016 3.401 1.00 0.00 C ATOM 596 O SER A 39 -9.952 -13.430 4.541 1.00 0.00 O ATOM 597 CB SER A 39 -9.054 -14.646 1.669 1.00 0.00 C ATOM 598 OG SER A 39 -9.475 -15.544 0.652 1.00 0.00 O ATOM 0 H SER A 39 -10.063 -12.940 0.307 1.00 0.00 H new ATOM 0 HA SER A 39 -11.047 -14.565 2.558 1.00 0.00 H new ATOM 0 HB2 SER A 39 -8.321 -13.945 1.270 1.00 0.00 H new ATOM 0 HB3 SER A 39 -8.565 -15.194 2.475 1.00 0.00 H new ATOM 0 HG SER A 39 -8.699 -16.030 0.303 1.00 0.00 H new ATOM 604 N LYS A 40 -9.441 -11.810 3.150 1.00 0.00 N ATOM 605 CA LYS A 40 -9.040 -10.912 4.272 1.00 0.00 C ATOM 606 C LYS A 40 -8.937 -9.464 3.784 1.00 0.00 C ATOM 607 O LYS A 40 -8.300 -9.185 2.789 1.00 0.00 O ATOM 608 CB LYS A 40 -7.672 -11.426 4.725 1.00 0.00 C ATOM 609 CG LYS A 40 -6.634 -11.156 3.633 1.00 0.00 C ATOM 610 CD LYS A 40 -5.272 -11.687 4.082 1.00 0.00 C ATOM 611 CE LYS A 40 -5.184 -13.185 3.783 1.00 0.00 C ATOM 612 NZ LYS A 40 -3.726 -13.489 3.763 1.00 0.00 N ATOM 0 H LYS A 40 -9.351 -11.406 2.218 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.767 -10.920 5.085 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.376 -10.934 5.652 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.725 -12.494 4.934 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.935 -11.638 2.703 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.571 -10.086 3.432 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.474 -11.155 3.565 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.134 -11.510 5.149 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -5.699 -13.770 4.545 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.650 -13.425 2.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.586 -14.520 3.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.296 -13.071 2.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.276 -13.089 4.611 1.00 0.00 H new ATOM 626 N PRO A 41 -9.577 -8.587 4.511 1.00 0.00 N ATOM 627 CA PRO A 41 -9.566 -7.147 4.158 1.00 0.00 C ATOM 628 C PRO A 41 -8.196 -6.527 4.452 1.00 0.00 C ATOM 629 O PRO A 41 -7.293 -7.191 4.920 1.00 0.00 O ATOM 630 CB PRO A 41 -10.636 -6.548 5.062 1.00 0.00 C ATOM 631 CG PRO A 41 -10.721 -7.481 6.222 1.00 0.00 C ATOM 632 CD PRO A 41 -10.364 -8.853 5.717 1.00 0.00 C ATOM 0 HA PRO A 41 -9.757 -6.968 3.100 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -10.365 -5.542 5.383 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -11.593 -6.471 4.545 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -10.039 -7.173 7.014 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -11.725 -7.477 6.647 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.789 -9.414 6.454 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -11.254 -9.441 5.492 1.00 0.00 H new ATOM 640 N GLY A 42 -8.035 -5.259 4.183 1.00 0.00 N ATOM 641 CA GLY A 42 -6.723 -4.602 4.450 1.00 0.00 C ATOM 642 C GLY A 42 -6.576 -3.360 3.570 1.00 0.00 C ATOM 643 O GLY A 42 -7.549 -2.735 3.194 1.00 0.00 O ATOM 0 H GLY A 42 -8.754 -4.651 3.791 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.653 -4.324 5.502 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.909 -5.299 4.249 1.00 0.00 H new ATOM 647 N VAL A 43 -5.367 -2.995 3.240 1.00 0.00 N ATOM 648 CA VAL A 43 -5.159 -1.793 2.382 1.00 0.00 C ATOM 649 C VAL A 43 -4.255 -2.139 1.198 1.00 0.00 C ATOM 650 O VAL A 43 -3.285 -2.858 1.333 1.00 0.00 O ATOM 651 CB VAL A 43 -4.485 -0.762 3.291 1.00 0.00 C ATOM 652 CG1 VAL A 43 -3.565 0.139 2.461 1.00 0.00 C ATOM 653 CG2 VAL A 43 -5.554 0.105 3.957 1.00 0.00 C ATOM 0 H VAL A 43 -4.515 -3.476 3.527 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.094 -1.417 1.968 1.00 0.00 H new ATOM 0 HB VAL A 43 -3.901 -1.284 4.049 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.088 0.871 3.113 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.801 -0.469 1.977 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.151 0.657 1.702 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.075 0.840 4.605 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.134 0.620 3.191 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.216 -0.525 4.551 1.00 0.00 H new ATOM 663 N ILE A 44 -4.557 -1.618 0.044 1.00 0.00 N ATOM 664 CA ILE A 44 -3.705 -1.901 -1.144 1.00 0.00 C ATOM 665 C ILE A 44 -3.191 -0.581 -1.718 1.00 0.00 C ATOM 666 O ILE A 44 -3.899 0.405 -1.762 1.00 0.00 O ATOM 667 CB ILE A 44 -4.610 -2.643 -2.144 1.00 0.00 C ATOM 668 CG1 ILE A 44 -4.179 -2.319 -3.584 1.00 0.00 C ATOM 669 CG2 ILE A 44 -6.073 -2.238 -1.944 1.00 0.00 C ATOM 670 CD1 ILE A 44 -4.661 -0.920 -3.979 1.00 0.00 C ATOM 0 H ILE A 44 -5.356 -1.009 -0.129 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.832 -2.507 -0.903 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.512 -3.714 -1.969 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.094 -2.375 -3.668 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -4.590 -3.060 -4.270 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.699 -2.772 -2.659 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.385 -2.489 -0.930 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.178 -1.164 -2.100 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.349 -0.703 -5.001 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.748 -0.878 -3.915 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.229 -0.182 -3.303 1.00 0.00 H new ATOM 682 N PHE A 45 -1.960 -0.547 -2.143 1.00 0.00 N ATOM 683 CA PHE A 45 -1.401 0.715 -2.689 1.00 0.00 C ATOM 684 C PHE A 45 -1.188 0.607 -4.202 1.00 0.00 C ATOM 685 O PHE A 45 -0.764 -0.411 -4.709 1.00 0.00 O ATOM 686 CB PHE A 45 -0.052 0.865 -1.991 1.00 0.00 C ATOM 687 CG PHE A 45 -0.255 1.102 -0.514 1.00 0.00 C ATOM 688 CD1 PHE A 45 -0.526 2.390 -0.041 1.00 0.00 C ATOM 689 CD2 PHE A 45 -0.163 0.031 0.384 1.00 0.00 C ATOM 690 CE1 PHE A 45 -0.708 2.608 1.330 1.00 0.00 C ATOM 691 CE2 PHE A 45 -0.343 0.249 1.753 1.00 0.00 C ATOM 692 CZ PHE A 45 -0.615 1.537 2.226 1.00 0.00 C ATOM 0 H PHE A 45 -1.318 -1.340 -2.135 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.067 1.562 -2.522 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.547 -0.033 -2.144 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.502 1.696 -2.428 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.595 3.216 -0.733 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.047 -0.963 0.019 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.920 3.602 1.696 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.272 -0.577 2.445 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.753 1.705 3.284 1.00 0.00 H new ATOM 702 N LEU A 46 -1.459 1.659 -4.922 1.00 0.00 N ATOM 703 CA LEU A 46 -1.251 1.626 -6.394 1.00 0.00 C ATOM 704 C LEU A 46 -0.064 2.519 -6.757 1.00 0.00 C ATOM 705 O LEU A 46 -0.004 3.673 -6.378 1.00 0.00 O ATOM 706 CB LEU A 46 -2.540 2.181 -6.998 1.00 0.00 C ATOM 707 CG LEU A 46 -3.186 1.124 -7.895 1.00 0.00 C ATOM 708 CD1 LEU A 46 -2.112 0.476 -8.769 1.00 0.00 C ATOM 709 CD2 LEU A 46 -3.850 0.053 -7.026 1.00 0.00 C ATOM 0 H LEU A 46 -1.816 2.541 -4.553 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.037 0.623 -6.763 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.230 2.470 -6.205 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.325 3.080 -7.576 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.938 1.594 -8.529 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.570 -0.278 -9.409 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.638 1.238 -9.388 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.361 0.005 -8.134 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.310 -0.700 -7.665 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.099 -0.419 -6.392 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.614 0.514 -6.401 1.00 0.00 H new ATOM 721 N THR A 47 0.883 1.994 -7.482 1.00 0.00 N ATOM 722 CA THR A 47 2.070 2.812 -7.860 1.00 0.00 C ATOM 723 C THR A 47 1.638 4.020 -8.683 1.00 0.00 C ATOM 724 O THR A 47 0.530 4.500 -8.565 1.00 0.00 O ATOM 725 CB THR A 47 2.946 1.882 -8.705 1.00 0.00 C ATOM 726 OG1 THR A 47 2.270 1.566 -9.919 1.00 0.00 O ATOM 727 CG2 THR A 47 3.227 0.596 -7.926 1.00 0.00 C ATOM 0 H THR A 47 0.887 1.035 -7.829 1.00 0.00 H new ATOM 0 HA THR A 47 2.600 3.191 -6.986 1.00 0.00 H new ATOM 0 HB THR A 47 3.889 2.380 -8.933 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.919 1.255 -10.584 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.850 -0.065 -8.528 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.745 0.838 -6.998 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.286 0.097 -7.696 1.00 0.00 H new ATOM 735 N LYS A 48 2.506 4.504 -9.526 1.00 0.00 N ATOM 736 CA LYS A 48 2.155 5.669 -10.384 1.00 0.00 C ATOM 737 C LYS A 48 1.992 5.182 -11.822 1.00 0.00 C ATOM 738 O LYS A 48 1.947 5.956 -12.758 1.00 0.00 O ATOM 739 CB LYS A 48 3.340 6.627 -10.267 1.00 0.00 C ATOM 740 CG LYS A 48 3.124 7.566 -9.078 1.00 0.00 C ATOM 741 CD LYS A 48 4.461 7.822 -8.380 1.00 0.00 C ATOM 742 CE LYS A 48 5.442 8.455 -9.369 1.00 0.00 C ATOM 743 NZ LYS A 48 5.714 9.814 -8.824 1.00 0.00 N ATOM 0 H LYS A 48 3.450 4.140 -9.658 1.00 0.00 H new ATOM 0 HA LYS A 48 1.226 6.156 -10.087 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.264 6.064 -10.136 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.446 7.205 -11.185 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.693 8.508 -9.418 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.414 7.126 -8.377 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.316 8.481 -7.524 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.868 6.886 -7.997 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.358 7.870 -9.446 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.014 8.509 -10.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.380 10.312 -9.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.825 10.350 -8.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.127 9.730 -7.873 1.00 0.00 H new ATOM 757 N ARG A 49 1.919 3.891 -11.995 1.00 0.00 N ATOM 758 CA ARG A 49 1.773 3.314 -13.357 1.00 0.00 C ATOM 759 C ARG A 49 0.587 2.348 -13.401 1.00 0.00 C ATOM 760 O ARG A 49 -0.507 2.707 -13.789 1.00 0.00 O ATOM 761 CB ARG A 49 3.083 2.566 -13.590 1.00 0.00 C ATOM 762 CG ARG A 49 4.098 3.504 -14.247 1.00 0.00 C ATOM 763 CD ARG A 49 3.945 3.440 -15.769 1.00 0.00 C ATOM 764 NE ARG A 49 5.337 3.461 -16.296 1.00 0.00 N ATOM 765 CZ ARG A 49 5.643 4.237 -17.299 1.00 0.00 C ATOM 766 NH1 ARG A 49 4.831 4.343 -18.315 1.00 0.00 N ATOM 767 NH2 ARG A 49 6.764 4.906 -17.287 1.00 0.00 N ATOM 0 H ARG A 49 1.955 3.205 -11.241 1.00 0.00 H new ATOM 0 HA ARG A 49 1.585 4.072 -14.117 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.475 2.195 -12.643 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.910 1.698 -14.226 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.944 4.525 -13.898 1.00 0.00 H new ATOM 0 HG3 ARG A 49 5.110 3.219 -13.961 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.420 2.535 -16.075 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.368 4.285 -16.144 1.00 0.00 H new ATOM 0 HE ARG A 49 6.052 2.869 -15.873 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.956 3.819 -18.325 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.071 4.950 -19.099 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.400 4.822 -16.494 1.00 0.00 H new ATOM 0 HH22 ARG A 49 7.004 5.513 -18.071 1.00 0.00 H new ATOM 781 N GLY A 50 0.797 1.123 -13.004 1.00 0.00 N ATOM 782 CA GLY A 50 -0.315 0.132 -13.022 1.00 0.00 C ATOM 783 C GLY A 50 0.005 -1.020 -12.065 1.00 0.00 C ATOM 784 O GLY A 50 -0.542 -2.099 -12.176 1.00 0.00 O ATOM 0 H GLY A 50 1.691 0.766 -12.668 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.248 0.613 -12.729 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.458 -0.251 -14.033 1.00 0.00 H new ATOM 788 N ARG A 51 0.884 -0.801 -11.124 1.00 0.00 N ATOM 789 CA ARG A 51 1.232 -1.886 -10.162 1.00 0.00 C ATOM 790 C ARG A 51 0.467 -1.690 -8.851 1.00 0.00 C ATOM 791 O ARG A 51 0.387 -0.597 -8.327 1.00 0.00 O ATOM 792 CB ARG A 51 2.738 -1.751 -9.934 1.00 0.00 C ATOM 793 CG ARG A 51 3.425 -3.078 -10.262 1.00 0.00 C ATOM 794 CD ARG A 51 4.316 -2.902 -11.495 1.00 0.00 C ATOM 795 NE ARG A 51 5.048 -4.192 -11.625 1.00 0.00 N ATOM 796 CZ ARG A 51 4.660 -5.077 -12.502 1.00 0.00 C ATOM 797 NH1 ARG A 51 3.399 -5.398 -12.591 1.00 0.00 N ATOM 798 NH2 ARG A 51 5.535 -5.641 -13.291 1.00 0.00 N ATOM 0 H ARG A 51 1.375 0.081 -10.980 1.00 0.00 H new ATOM 0 HA ARG A 51 0.969 -2.874 -10.539 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.142 -0.956 -10.561 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.936 -1.473 -8.899 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.023 -3.410 -9.413 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.678 -3.850 -10.447 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.722 -2.693 -12.385 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.006 -2.067 -11.368 1.00 0.00 H new ATOM 0 HE ARG A 51 5.853 -4.384 -11.029 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.716 -4.957 -11.975 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.096 -6.090 -13.277 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.521 -5.390 -13.221 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.232 -6.333 -13.977 1.00 0.00 H new ATOM 812 N GLN A 52 -0.104 -2.738 -8.322 1.00 0.00 N ATOM 813 CA GLN A 52 -0.870 -2.609 -7.054 1.00 0.00 C ATOM 814 C GLN A 52 -0.123 -3.290 -5.903 1.00 0.00 C ATOM 815 O GLN A 52 0.674 -4.184 -6.106 1.00 0.00 O ATOM 816 CB GLN A 52 -2.195 -3.324 -7.320 1.00 0.00 C ATOM 817 CG GLN A 52 -2.578 -3.189 -8.798 1.00 0.00 C ATOM 818 CD GLN A 52 -2.273 -4.497 -9.533 1.00 0.00 C ATOM 819 OE1 GLN A 52 -2.846 -4.771 -10.568 1.00 0.00 O ATOM 820 NE2 GLN A 52 -1.387 -5.321 -9.041 1.00 0.00 N ATOM 0 H GLN A 52 -0.072 -3.679 -8.715 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.012 -1.567 -6.767 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.109 -4.377 -7.053 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.979 -2.899 -6.693 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.637 -2.949 -8.888 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.025 -2.368 -9.253 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -0.905 -5.092 -8.172 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -1.177 -6.193 -9.526 1.00 0.00 H new ATOM 829 N VAL A 53 -0.386 -2.873 -4.695 1.00 0.00 N ATOM 830 CA VAL A 53 0.291 -3.485 -3.519 1.00 0.00 C ATOM 831 C VAL A 53 -0.739 -3.731 -2.412 1.00 0.00 C ATOM 832 O VAL A 53 -1.758 -3.077 -2.351 1.00 0.00 O ATOM 833 CB VAL A 53 1.321 -2.440 -3.083 1.00 0.00 C ATOM 834 CG1 VAL A 53 1.531 -2.532 -1.574 1.00 0.00 C ATOM 835 CG2 VAL A 53 2.648 -2.704 -3.797 1.00 0.00 C ATOM 0 H VAL A 53 -1.046 -2.128 -4.472 1.00 0.00 H new ATOM 0 HA VAL A 53 0.758 -4.444 -3.742 1.00 0.00 H new ATOM 0 HB VAL A 53 0.960 -1.444 -3.341 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.264 -1.788 -1.263 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.586 -2.346 -1.063 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.893 -3.528 -1.317 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.382 -1.960 -3.487 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.009 -3.700 -3.538 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.500 -2.641 -4.875 1.00 0.00 H new ATOM 845 N CYS A 54 -0.490 -4.669 -1.538 1.00 0.00 N ATOM 846 CA CYS A 54 -1.470 -4.940 -0.449 1.00 0.00 C ATOM 847 C CYS A 54 -0.746 -5.156 0.881 1.00 0.00 C ATOM 848 O CYS A 54 0.010 -6.092 1.036 1.00 0.00 O ATOM 849 CB CYS A 54 -2.182 -6.219 -0.875 1.00 0.00 C ATOM 850 SG CYS A 54 -3.883 -6.193 -0.263 1.00 0.00 S ATOM 0 H CYS A 54 0.344 -5.256 -1.531 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.161 -4.110 -0.302 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.176 -6.307 -1.961 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.656 -7.089 -0.482 1.00 0.00 H new ATOM 855 N ALA A 55 -0.974 -4.304 1.844 1.00 0.00 N ATOM 856 CA ALA A 55 -0.295 -4.478 3.159 1.00 0.00 C ATOM 857 C ALA A 55 -1.270 -4.181 4.300 1.00 0.00 C ATOM 858 O ALA A 55 -2.341 -3.643 4.093 1.00 0.00 O ATOM 859 CB ALA A 55 0.848 -3.463 3.153 1.00 0.00 C ATOM 0 H ALA A 55 -1.598 -3.500 1.777 1.00 0.00 H new ATOM 0 HA ALA A 55 0.066 -5.496 3.306 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.398 -3.529 4.092 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.520 -3.677 2.322 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.441 -2.458 3.041 1.00 0.00 H new ATOM 865 N ASP A 56 -0.908 -4.529 5.505 1.00 0.00 N ATOM 866 CA ASP A 56 -1.812 -4.266 6.658 1.00 0.00 C ATOM 867 C ASP A 56 -1.698 -2.803 7.090 1.00 0.00 C ATOM 868 O ASP A 56 -0.621 -2.309 7.362 1.00 0.00 O ATOM 869 CB ASP A 56 -1.320 -5.195 7.768 1.00 0.00 C ATOM 870 CG ASP A 56 -2.291 -5.139 8.948 1.00 0.00 C ATOM 871 OD1 ASP A 56 -2.599 -4.043 9.387 1.00 0.00 O ATOM 872 OD2 ASP A 56 -2.711 -6.193 9.395 1.00 0.00 O ATOM 0 H ASP A 56 -0.026 -4.984 5.740 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.859 -4.445 6.414 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.243 -6.216 7.395 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.322 -4.898 8.090 1.00 0.00 H new ATOM 877 N LYS A 57 -2.798 -2.106 7.156 1.00 0.00 N ATOM 878 CA LYS A 57 -2.749 -0.675 7.570 1.00 0.00 C ATOM 879 C LYS A 57 -2.086 -0.548 8.944 1.00 0.00 C ATOM 880 O LYS A 57 -1.687 0.523 9.354 1.00 0.00 O ATOM 881 CB LYS A 57 -4.210 -0.231 7.635 1.00 0.00 C ATOM 882 CG LYS A 57 -4.276 1.256 7.984 1.00 0.00 C ATOM 883 CD LYS A 57 -5.568 1.855 7.424 1.00 0.00 C ATOM 884 CE LYS A 57 -6.763 1.024 7.898 1.00 0.00 C ATOM 885 NZ LYS A 57 -7.372 1.820 8.999 1.00 0.00 N ATOM 0 H LYS A 57 -3.728 -2.465 6.941 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.169 -0.063 6.879 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.699 -0.413 6.678 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.746 -0.815 8.383 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.240 1.389 9.065 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.412 1.776 7.570 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -5.676 2.888 7.755 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.532 1.871 6.335 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.475 0.859 7.089 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.447 0.042 8.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.199 1.315 9.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -6.673 1.955 9.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.670 2.747 8.634 1.00 0.00 H new ATOM 899 N SER A 58 -1.964 -1.635 9.656 1.00 0.00 N ATOM 900 CA SER A 58 -1.327 -1.577 11.004 1.00 0.00 C ATOM 901 C SER A 58 0.195 -1.496 10.869 1.00 0.00 C ATOM 902 O SER A 58 0.920 -1.580 11.841 1.00 0.00 O ATOM 903 CB SER A 58 -1.736 -2.879 11.689 1.00 0.00 C ATOM 904 OG SER A 58 -0.794 -3.894 11.369 1.00 0.00 O ATOM 0 H SER A 58 -2.277 -2.561 9.363 1.00 0.00 H new ATOM 0 HA SER A 58 -1.640 -0.701 11.571 1.00 0.00 H new ATOM 0 HB2 SER A 58 -1.782 -2.737 12.769 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.733 -3.177 11.364 1.00 0.00 H new ATOM 0 HG SER A 58 -1.053 -4.731 11.808 1.00 0.00 H new ATOM 910 N LYS A 59 0.685 -1.333 9.672 1.00 0.00 N ATOM 911 CA LYS A 59 2.159 -1.243 9.473 1.00 0.00 C ATOM 912 C LYS A 59 2.610 0.212 9.531 1.00 0.00 C ATOM 913 O LYS A 59 2.180 1.041 8.757 1.00 0.00 O ATOM 914 CB LYS A 59 2.405 -1.826 8.085 1.00 0.00 C ATOM 915 CG LYS A 59 2.714 -3.319 8.201 1.00 0.00 C ATOM 916 CD LYS A 59 2.227 -4.039 6.943 1.00 0.00 C ATOM 917 CE LYS A 59 3.295 -5.032 6.479 1.00 0.00 C ATOM 918 NZ LYS A 59 2.811 -6.360 6.946 1.00 0.00 N ATOM 0 H LYS A 59 0.128 -1.258 8.821 1.00 0.00 H new ATOM 0 HA LYS A 59 2.714 -1.777 10.244 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.528 -1.674 7.455 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.236 -1.309 7.605 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.786 -3.471 8.328 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.227 -3.735 9.083 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.293 -4.562 7.149 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.020 -3.316 6.154 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.409 -5.012 5.395 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.269 -4.794 6.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.491 -7.095 6.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.718 -6.351 7.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.885 -6.563 6.517 1.00 0.00 H new ATOM 932 N ASP A 60 3.473 0.522 10.450 1.00 0.00 N ATOM 933 CA ASP A 60 3.965 1.919 10.579 1.00 0.00 C ATOM 934 C ASP A 60 4.266 2.517 9.201 1.00 0.00 C ATOM 935 O ASP A 60 3.727 3.541 8.830 1.00 0.00 O ATOM 936 CB ASP A 60 5.241 1.793 11.404 1.00 0.00 C ATOM 937 CG ASP A 60 4.920 1.116 12.738 1.00 0.00 C ATOM 938 OD1 ASP A 60 4.935 -0.103 12.781 1.00 0.00 O ATOM 939 OD2 ASP A 60 4.666 1.828 13.696 1.00 0.00 O ATOM 0 H ASP A 60 3.863 -0.137 11.124 1.00 0.00 H new ATOM 0 HA ASP A 60 3.232 2.579 11.044 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.984 1.211 10.858 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.673 2.778 11.579 1.00 0.00 H new ATOM 944 N TRP A 61 5.125 1.893 8.440 1.00 0.00 N ATOM 945 CA TRP A 61 5.454 2.440 7.092 1.00 0.00 C ATOM 946 C TRP A 61 4.183 2.591 6.256 1.00 0.00 C ATOM 947 O TRP A 61 4.001 3.564 5.549 1.00 0.00 O ATOM 948 CB TRP A 61 6.407 1.420 6.467 1.00 0.00 C ATOM 949 CG TRP A 61 5.658 0.207 6.013 1.00 0.00 C ATOM 950 CD1 TRP A 61 5.355 -0.848 6.794 1.00 0.00 C ATOM 951 CD2 TRP A 61 5.129 -0.099 4.690 1.00 0.00 C ATOM 952 NE1 TRP A 61 4.684 -1.792 6.037 1.00 0.00 N ATOM 953 CE2 TRP A 61 4.519 -1.374 4.732 1.00 0.00 C ATOM 954 CE3 TRP A 61 5.121 0.596 3.470 1.00 0.00 C ATOM 955 CZ2 TRP A 61 3.925 -1.940 3.602 1.00 0.00 C ATOM 956 CZ3 TRP A 61 4.521 0.030 2.333 1.00 0.00 C ATOM 957 CH2 TRP A 61 3.925 -1.237 2.400 1.00 0.00 C ATOM 0 H TRP A 61 5.611 1.032 8.692 1.00 0.00 H new ATOM 0 HA TRP A 61 5.908 3.429 7.147 1.00 0.00 H new ATOM 0 HB2 TRP A 61 6.927 1.871 5.621 1.00 0.00 H new ATOM 0 HB3 TRP A 61 7.168 1.133 7.193 1.00 0.00 H new ATOM 0 HD1 TRP A 61 5.597 -0.942 7.842 1.00 0.00 H new ATOM 0 HE1 TRP A 61 4.352 -2.686 6.399 1.00 0.00 H new ATOM 0 HE3 TRP A 61 5.579 1.572 3.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 3.468 -2.917 3.660 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 4.519 0.575 1.401 1.00 0.00 H new ATOM 0 HH2 TRP A 61 3.467 -1.667 1.521 1.00 0.00 H new ATOM 968 N VAL A 62 3.293 1.645 6.342 1.00 0.00 N ATOM 969 CA VAL A 62 2.030 1.741 5.568 1.00 0.00 C ATOM 970 C VAL A 62 1.205 2.932 6.063 1.00 0.00 C ATOM 971 O VAL A 62 0.784 3.770 5.292 1.00 0.00 O ATOM 972 CB VAL A 62 1.323 0.417 5.842 1.00 0.00 C ATOM 973 CG1 VAL A 62 -0.183 0.625 5.806 1.00 0.00 C ATOM 974 CG2 VAL A 62 1.713 -0.595 4.768 1.00 0.00 C ATOM 0 H VAL A 62 3.387 0.808 6.917 1.00 0.00 H new ATOM 0 HA VAL A 62 2.188 1.902 4.502 1.00 0.00 H new ATOM 0 HB VAL A 62 1.617 0.047 6.824 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.686 -0.322 6.002 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.468 1.352 6.567 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.476 0.995 4.823 1.00 0.00 H new ATOM 0 HG21 VAL A 62 1.210 -1.542 4.961 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.416 -0.219 3.789 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.792 -0.747 4.786 1.00 0.00 H new ATOM 984 N LYS A 63 0.974 3.021 7.342 1.00 0.00 N ATOM 985 CA LYS A 63 0.189 4.161 7.871 1.00 0.00 C ATOM 986 C LYS A 63 0.664 5.455 7.213 1.00 0.00 C ATOM 987 O LYS A 63 -0.119 6.216 6.681 1.00 0.00 O ATOM 988 CB LYS A 63 0.487 4.163 9.368 1.00 0.00 C ATOM 989 CG LYS A 63 -0.720 4.705 10.122 1.00 0.00 C ATOM 990 CD LYS A 63 -0.376 6.062 10.741 1.00 0.00 C ATOM 991 CE LYS A 63 -1.638 6.923 10.821 1.00 0.00 C ATOM 992 NZ LYS A 63 -1.932 7.305 9.411 1.00 0.00 N ATOM 0 H LYS A 63 1.296 2.352 8.041 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.880 4.079 7.672 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.717 3.153 9.706 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.364 4.776 9.575 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.568 4.808 9.445 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.018 4.004 10.902 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.045 5.923 11.737 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.383 6.565 10.141 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.467 6.369 11.261 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.477 7.803 11.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.326 8.267 9.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.055 7.276 8.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.621 6.639 9.007 1.00 0.00 H new ATOM 1006 N LYS A 64 1.944 5.705 7.227 1.00 0.00 N ATOM 1007 CA LYS A 64 2.454 6.943 6.578 1.00 0.00 C ATOM 1008 C LYS A 64 1.996 6.962 5.121 1.00 0.00 C ATOM 1009 O LYS A 64 1.652 7.994 4.579 1.00 0.00 O ATOM 1010 CB LYS A 64 3.978 6.850 6.668 1.00 0.00 C ATOM 1011 CG LYS A 64 4.610 7.808 5.655 1.00 0.00 C ATOM 1012 CD LYS A 64 5.796 8.528 6.300 1.00 0.00 C ATOM 1013 CE LYS A 64 6.279 9.646 5.374 1.00 0.00 C ATOM 1014 NZ LYS A 64 6.386 10.848 6.248 1.00 0.00 N ATOM 0 H LYS A 64 2.653 5.111 7.656 1.00 0.00 H new ATOM 0 HA LYS A 64 2.088 7.853 7.053 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.309 7.100 7.676 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.303 5.829 6.470 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.941 7.256 4.775 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.871 8.534 5.316 1.00 0.00 H new ATOM 0 HD2 LYS A 64 5.503 8.942 7.265 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.605 7.822 6.488 1.00 0.00 H new ATOM 0 HE2 LYS A 64 7.240 9.398 4.923 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.577 9.813 4.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 6.712 11.659 5.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.455 11.063 6.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.066 10.662 7.013 1.00 0.00 H new ATOM 1028 N LEU A 65 1.976 5.819 4.488 1.00 0.00 N ATOM 1029 CA LEU A 65 1.524 5.764 3.071 1.00 0.00 C ATOM 1030 C LEU A 65 0.057 6.188 2.982 1.00 0.00 C ATOM 1031 O LEU A 65 -0.284 7.136 2.312 1.00 0.00 O ATOM 1032 CB LEU A 65 1.684 4.300 2.654 1.00 0.00 C ATOM 1033 CG LEU A 65 3.129 4.050 2.227 1.00 0.00 C ATOM 1034 CD1 LEU A 65 3.507 2.604 2.534 1.00 0.00 C ATOM 1035 CD2 LEU A 65 3.266 4.294 0.723 1.00 0.00 C ATOM 0 H LEU A 65 2.253 4.924 4.892 1.00 0.00 H new ATOM 0 HA LEU A 65 2.096 6.431 2.426 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.419 3.643 3.483 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.005 4.068 1.833 1.00 0.00 H new ATOM 0 HG LEU A 65 3.788 4.726 2.771 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.538 2.425 2.229 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.408 2.421 3.604 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.845 1.931 1.988 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.297 4.116 0.418 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.605 3.616 0.183 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.993 5.324 0.495 1.00 0.00 H new HETATM 1047 N MSE A 66 -0.811 5.494 3.657 1.00 0.00 N HETATM 1048 CA MSE A 66 -2.255 5.862 3.610 1.00 0.00 C HETATM 1049 C MSE A 66 -2.443 7.313 4.060 1.00 0.00 C HETATM 1050 O MSE A 66 -3.437 7.944 3.760 1.00 0.00 O HETATM 1051 CB MSE A 66 -2.942 4.897 4.579 1.00 0.00 C HETATM 1052 CG MSE A 66 -2.872 5.450 6.006 1.00 0.00 C HETATM 1053 SE MSE A 66 -4.728 6.295 6.312 1.00 0.00 SE HETATM 1054 CE MSE A 66 -5.210 5.252 8.024 1.00 0.00 C HETATM 0 H MSE A 66 -0.586 4.688 4.240 1.00 0.00 H new HETATM 0 HA MSE A 66 -2.671 5.788 2.605 1.00 0.00 H new HETATM 0 HB2 MSE A 66 -3.982 4.754 4.286 1.00 0.00 H new HETATM 0 HB3 MSE A 66 -2.461 3.920 4.535 1.00 0.00 H new HETATM 0 HG2 MSE A 66 -2.670 4.660 6.730 1.00 0.00 H new HETATM 0 HG3 MSE A 66 -2.076 6.188 6.109 1.00 0.00 H new HETATM 0 HE1 MSE A 66 -6.197 5.559 8.371 1.00 0.00 H new HETATM 0 HE2 MSE A 66 -5.217 4.183 7.809 1.00 0.00 H new HETATM 0 HE3 MSE A 66 -4.472 5.462 8.798 1.00 0.00 H new ATOM 1064 N GLN A 67 -1.494 7.844 4.782 1.00 0.00 N ATOM 1065 CA GLN A 67 -1.615 9.251 5.258 1.00 0.00 C ATOM 1066 C GLN A 67 -1.256 10.234 4.137 1.00 0.00 C ATOM 1067 O GLN A 67 -1.940 11.212 3.914 1.00 0.00 O ATOM 1068 CB GLN A 67 -0.617 9.363 6.410 1.00 0.00 C ATOM 1069 CG GLN A 67 -0.965 10.578 7.273 1.00 0.00 C ATOM 1070 CD GLN A 67 0.060 11.688 7.031 1.00 0.00 C ATOM 1071 OE1 GLN A 67 1.242 11.426 6.926 1.00 0.00 O ATOM 1072 NE2 GLN A 67 -0.345 12.924 6.937 1.00 0.00 N ATOM 0 H GLN A 67 -0.639 7.363 5.063 1.00 0.00 H new ATOM 0 HA GLN A 67 -2.631 9.492 5.569 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.640 8.456 7.014 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.396 9.460 6.019 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.966 10.934 7.031 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.972 10.299 8.327 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -1.337 13.144 7.025 1.00 0.00 H new ATOM 0 HE22 GLN A 67 0.330 13.671 6.775 1.00 0.00 H new ATOM 1081 N GLN A 68 -0.185 9.984 3.433 1.00 0.00 N ATOM 1082 CA GLN A 68 0.215 10.909 2.332 1.00 0.00 C ATOM 1083 C GLN A 68 -0.507 10.542 1.032 1.00 0.00 C ATOM 1084 O GLN A 68 -0.721 11.373 0.172 1.00 0.00 O ATOM 1085 CB GLN A 68 1.722 10.706 2.178 1.00 0.00 C ATOM 1086 CG GLN A 68 2.466 11.687 3.086 1.00 0.00 C ATOM 1087 CD GLN A 68 2.281 13.111 2.556 1.00 0.00 C ATOM 1088 OE1 GLN A 68 2.778 13.446 1.499 1.00 0.00 O ATOM 1089 NE2 GLN A 68 1.583 13.967 3.249 1.00 0.00 N ATOM 0 H GLN A 68 0.429 9.182 3.572 1.00 0.00 H new ATOM 0 HA GLN A 68 -0.042 11.945 2.553 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.990 9.681 2.436 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.016 10.861 1.140 1.00 0.00 H new ATOM 0 HG2 GLN A 68 2.087 11.615 4.106 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.526 11.435 3.121 1.00 0.00 H new ATOM 0 HE21 GLN A 68 1.166 13.685 4.136 1.00 0.00 H new ATOM 0 HE22 GLN A 68 1.454 14.918 2.904 1.00 0.00 H new ATOM 1098 N LEU A 69 -0.879 9.304 0.885 1.00 0.00 N ATOM 1099 CA LEU A 69 -1.582 8.872 -0.355 1.00 0.00 C ATOM 1100 C LEU A 69 -3.093 9.057 -0.198 1.00 0.00 C ATOM 1101 O LEU A 69 -3.628 8.933 0.886 1.00 0.00 O ATOM 1102 CB LEU A 69 -1.245 7.388 -0.504 1.00 0.00 C ATOM 1103 CG LEU A 69 0.229 7.140 -0.185 1.00 0.00 C ATOM 1104 CD1 LEU A 69 0.414 5.686 0.248 1.00 0.00 C ATOM 1105 CD2 LEU A 69 1.074 7.397 -1.430 1.00 0.00 C ATOM 0 H LEU A 69 -0.726 8.567 1.574 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.276 9.453 -1.225 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.872 6.798 0.164 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.464 7.059 -1.520 1.00 0.00 H new ATOM 0 HG LEU A 69 0.542 7.810 0.615 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.464 5.505 0.476 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.189 5.491 1.135 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.099 5.023 -0.558 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.125 7.219 -1.200 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.759 6.725 -2.229 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.943 8.430 -1.752 1.00 0.00 H new ATOM 1117 N PRO A 70 -3.732 9.348 -1.297 1.00 0.00 N ATOM 1118 CA PRO A 70 -5.194 9.553 -1.301 1.00 0.00 C ATOM 1119 C PRO A 70 -5.922 8.210 -1.433 1.00 0.00 C ATOM 1120 O PRO A 70 -5.742 7.489 -2.394 1.00 0.00 O ATOM 1121 CB PRO A 70 -5.423 10.415 -2.536 1.00 0.00 C ATOM 1122 CG PRO A 70 -4.265 10.130 -3.450 1.00 0.00 C ATOM 1123 CD PRO A 70 -3.153 9.517 -2.630 1.00 0.00 C ATOM 0 HA PRO A 70 -5.568 10.012 -0.386 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -6.370 10.169 -3.016 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.464 11.472 -2.274 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -4.568 9.451 -4.247 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -3.923 11.048 -3.927 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -2.832 8.563 -3.047 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.276 10.164 -2.603 1.00 0.00 H new ATOM 1131 N VAL A 71 -6.744 7.868 -0.478 1.00 0.00 N ATOM 1132 CA VAL A 71 -7.480 6.572 -0.557 1.00 0.00 C ATOM 1133 C VAL A 71 -8.284 6.499 -1.857 1.00 0.00 C ATOM 1134 O VAL A 71 -9.416 6.933 -1.926 1.00 0.00 O ATOM 1135 CB VAL A 71 -8.419 6.574 0.646 1.00 0.00 C ATOM 1136 CG1 VAL A 71 -9.201 7.886 0.664 1.00 0.00 C ATOM 1137 CG2 VAL A 71 -9.397 5.403 0.530 1.00 0.00 C ATOM 0 H VAL A 71 -6.938 8.428 0.352 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.805 5.716 -0.548 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.841 6.474 1.565 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.875 7.896 1.521 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.506 8.723 0.739 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -9.781 7.977 -0.255 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -10.068 5.403 1.389 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -9.979 5.505 -0.386 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -8.841 4.466 0.504 1.00 0.00 H new ATOM 1147 N THR A 72 -7.703 5.953 -2.887 1.00 0.00 N ATOM 1148 CA THR A 72 -8.424 5.844 -4.188 1.00 0.00 C ATOM 1149 C THR A 72 -9.868 5.386 -3.960 1.00 0.00 C ATOM 1150 O THR A 72 -10.241 4.999 -2.869 1.00 0.00 O ATOM 1151 CB THR A 72 -7.648 4.790 -4.980 1.00 0.00 C ATOM 1152 OG1 THR A 72 -6.290 4.791 -4.561 1.00 0.00 O ATOM 1153 CG2 THR A 72 -7.724 5.110 -6.473 1.00 0.00 C ATOM 0 H THR A 72 -6.756 5.575 -2.885 1.00 0.00 H new ATOM 0 HA THR A 72 -8.474 6.798 -4.713 1.00 0.00 H new ATOM 0 HB THR A 72 -8.084 3.807 -4.801 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.791 4.115 -5.066 1.00 0.00 H new ATOM 0 HG21 THR A 72 -7.170 4.358 -7.035 1.00 0.00 H new ATOM 0 HG22 THR A 72 -8.766 5.108 -6.793 1.00 0.00 H new ATOM 0 HG23 THR A 72 -7.290 6.093 -6.657 1.00 0.00 H new ATOM 1161 N ALA A 73 -10.681 5.424 -4.979 1.00 0.00 N ATOM 1162 CA ALA A 73 -12.099 4.990 -4.820 1.00 0.00 C ATOM 1163 C ALA A 73 -12.176 3.467 -4.686 1.00 0.00 C ATOM 1164 O ALA A 73 -11.179 2.776 -4.753 1.00 0.00 O ATOM 1165 CB ALA A 73 -12.800 5.452 -6.097 1.00 0.00 C ATOM 0 H ALA A 73 -10.426 5.737 -5.916 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.561 5.410 -3.926 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.852 5.169 -6.057 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.719 6.535 -6.185 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.330 4.981 -6.961 1.00 0.00 H new ATOM 1171 N ARG A 74 -13.355 2.939 -4.498 1.00 0.00 N ATOM 1172 CA ARG A 74 -13.497 1.460 -4.361 1.00 0.00 C ATOM 1173 C ARG A 74 -14.972 1.083 -4.199 1.00 0.00 C ATOM 1174 CB ARG A 74 -12.710 1.102 -3.100 1.00 0.00 C ATOM 1175 CG ARG A 74 -12.895 -0.385 -2.788 1.00 0.00 C ATOM 1176 CD ARG A 74 -12.157 -1.223 -3.834 1.00 0.00 C ATOM 1177 NE ARG A 74 -11.718 -2.446 -3.107 1.00 0.00 N ATOM 1178 CZ ARG A 74 -11.790 -3.612 -3.688 1.00 0.00 C ATOM 1179 NH1 ARG A 74 -10.845 -3.995 -4.502 1.00 0.00 N ATOM 1180 NH2 ARG A 74 -12.809 -4.397 -3.454 1.00 0.00 N ATOM 0 H ARG A 74 -14.226 3.467 -4.433 1.00 0.00 H new ATOM 0 HA ARG A 74 -13.128 0.927 -5.237 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -11.653 1.326 -3.242 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -13.053 1.706 -2.260 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -12.513 -0.609 -1.792 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -13.955 -0.638 -2.787 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -12.809 -1.474 -4.671 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -11.305 -0.681 -4.245 1.00 0.00 H new ATOM 0 HE ARG A 74 -11.361 -2.372 -2.154 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -10.050 -3.383 -4.684 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -10.901 -4.907 -4.956 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -13.548 -4.098 -2.817 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -12.865 -5.309 -3.908 1.00 0.00 H new TER 1194 ARG A 74