USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 523 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 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 150:sc= -0.148 USER MOD Single : A 8 THR OG1 : rot 180:sc= -1.68 USER MOD Single : A 13 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.52) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -6.98 X(o=-7,f=-7.1!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 65:sc= 1 USER MOD Single : A 19 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.121) USER MOD Single : A 20 SER OG : rot 136:sc= -0.663 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.189 USER MOD Single : A 26 HIS : no HD1:sc= -2.63 K(o=-2.6,f=-0.89) USER MOD Single : A 27 HIS : no HD1:sc= -4.39 K(o=-4.4,f=-5.9!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : no HD1:sc= -3.49! C(o=-3.5!,f=-6.1!) USER MOD Single : A 71 SER OG : rot 180:sc= 0.0566 USER MOD Single : A 72 LYS NZ :NH3+ -141:sc=-0.00415 (180deg=-0.149) USER MOD Single : A 73 THR OG1 : rot 67:sc= 0.24 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -1.89 K(o=-1.9,f=-4.8!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 35 N ASP A 3 -6.757 -0.180 14.914 1.00 0.00 N ATOM 36 CA ASP A 3 -6.339 -1.238 13.946 1.00 0.00 C ATOM 37 C ASP A 3 -6.741 -0.842 12.523 1.00 0.00 C ATOM 38 O ASP A 3 -7.904 -0.874 12.171 1.00 0.00 O ATOM 39 CB ASP A 3 -7.089 -2.496 14.386 1.00 0.00 C ATOM 40 CG ASP A 3 -6.652 -2.884 15.800 1.00 0.00 C ATOM 41 OD1 ASP A 3 -6.859 -2.089 16.702 1.00 0.00 O ATOM 42 OD2 ASP A 3 -6.118 -3.970 15.956 1.00 0.00 O ATOM 0 HA ASP A 3 -5.260 -1.389 13.940 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -8.164 -2.318 14.362 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -6.886 -3.314 13.694 1.00 0.00 H new ATOM 47 N VAL A 4 -5.778 -0.505 11.697 1.00 0.00 N ATOM 48 CA VAL A 4 -6.069 -0.138 10.271 1.00 0.00 C ATOM 49 C VAL A 4 -7.069 1.027 10.203 1.00 0.00 C ATOM 50 O VAL A 4 -7.731 1.354 11.169 1.00 0.00 O ATOM 51 CB VAL A 4 -6.643 -1.413 9.621 1.00 0.00 C ATOM 52 CG1 VAL A 4 -7.094 -1.123 8.185 1.00 0.00 C ATOM 53 CG2 VAL A 4 -5.561 -2.494 9.590 1.00 0.00 C ATOM 0 H VAL A 4 -4.791 -0.468 11.952 1.00 0.00 H new ATOM 0 HA VAL A 4 -5.174 0.200 9.748 1.00 0.00 H new ATOM 0 HB VAL A 4 -7.499 -1.750 10.205 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -7.497 -2.033 7.739 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -7.864 -0.352 8.194 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -6.242 -0.778 7.599 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -5.962 -3.398 9.131 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -4.709 -2.140 9.009 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -5.239 -2.716 10.607 1.00 0.00 H new ATOM 63 N LYS A 5 -7.200 1.627 9.048 1.00 0.00 N ATOM 64 CA LYS A 5 -8.181 2.738 8.876 1.00 0.00 C ATOM 65 C LYS A 5 -8.788 2.676 7.472 1.00 0.00 C ATOM 66 O LYS A 5 -8.107 2.373 6.509 1.00 0.00 O ATOM 67 CB LYS A 5 -7.366 4.020 9.055 1.00 0.00 C ATOM 68 CG LYS A 5 -8.313 5.195 9.304 1.00 0.00 C ATOM 69 CD LYS A 5 -7.530 6.508 9.221 1.00 0.00 C ATOM 70 CE LYS A 5 -8.385 7.648 9.779 1.00 0.00 C ATOM 71 NZ LYS A 5 -7.650 8.891 9.417 1.00 0.00 N ATOM 0 H LYS A 5 -6.665 1.393 8.212 1.00 0.00 H new ATOM 0 HA LYS A 5 -9.005 2.683 9.587 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.676 3.911 9.892 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.763 4.207 8.167 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.116 5.191 8.567 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.779 5.099 10.284 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -6.601 6.426 9.785 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -7.257 6.716 8.186 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -9.385 7.640 9.346 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.505 7.560 10.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.174 9.719 9.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -6.704 8.873 9.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -7.557 8.951 8.383 1.00 0.00 H new ATOM 85 N TYR A 6 -10.056 2.971 7.348 1.00 0.00 N ATOM 86 CA TYR A 6 -10.705 2.942 6.004 1.00 0.00 C ATOM 87 C TYR A 6 -10.383 4.222 5.230 1.00 0.00 C ATOM 88 O TYR A 6 -11.209 5.106 5.101 1.00 0.00 O ATOM 89 CB TYR A 6 -12.204 2.842 6.287 1.00 0.00 C ATOM 90 CG TYR A 6 -12.560 1.407 6.589 1.00 0.00 C ATOM 91 CD1 TYR A 6 -12.032 0.781 7.725 1.00 0.00 C ATOM 92 CD2 TYR A 6 -13.413 0.701 5.733 1.00 0.00 C ATOM 93 CE1 TYR A 6 -12.356 -0.551 8.005 1.00 0.00 C ATOM 94 CE2 TYR A 6 -13.739 -0.632 6.014 1.00 0.00 C ATOM 95 CZ TYR A 6 -13.210 -1.258 7.150 1.00 0.00 C ATOM 96 OH TYR A 6 -13.531 -2.572 7.426 1.00 0.00 O ATOM 0 H TYR A 6 -10.670 3.231 8.120 1.00 0.00 H new ATOM 0 HA TYR A 6 -10.352 2.110 5.394 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -12.470 3.480 7.130 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -12.773 3.197 5.427 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -11.374 1.327 8.385 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -13.820 1.184 4.857 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -11.947 -1.034 8.880 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -14.398 -1.177 5.355 1.00 0.00 H new ATOM 0 HH TYR A 6 -14.135 -2.914 6.734 1.00 0.00 H new ATOM 106 N TYR A 7 -9.204 4.295 4.663 1.00 0.00 N ATOM 107 CA TYR A 7 -8.840 5.484 3.832 1.00 0.00 C ATOM 108 C TYR A 7 -9.785 5.591 2.633 1.00 0.00 C ATOM 109 O TYR A 7 -10.772 4.884 2.549 1.00 0.00 O ATOM 110 CB TYR A 7 -7.406 5.224 3.365 1.00 0.00 C ATOM 111 CG TYR A 7 -6.442 5.564 4.477 1.00 0.00 C ATOM 112 CD1 TYR A 7 -6.308 6.892 4.902 1.00 0.00 C ATOM 113 CD2 TYR A 7 -5.682 4.556 5.082 1.00 0.00 C ATOM 114 CE1 TYR A 7 -5.415 7.211 5.932 1.00 0.00 C ATOM 115 CE2 TYR A 7 -4.789 4.875 6.111 1.00 0.00 C ATOM 116 CZ TYR A 7 -4.655 6.202 6.536 1.00 0.00 C ATOM 117 OH TYR A 7 -3.774 6.517 7.550 1.00 0.00 O ATOM 0 H TYR A 7 -8.478 3.583 4.740 1.00 0.00 H new ATOM 0 HA TYR A 7 -8.919 6.418 4.388 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.290 4.179 3.077 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -7.186 5.825 2.483 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -6.894 7.670 4.435 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -5.785 3.532 4.755 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -5.312 8.235 6.260 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -4.203 4.097 6.578 1.00 0.00 H new ATOM 0 HH TYR A 7 -3.694 5.756 8.162 1.00 0.00 H new ATOM 127 N THR A 8 -9.470 6.439 1.686 1.00 0.00 N ATOM 128 CA THR A 8 -10.326 6.559 0.468 1.00 0.00 C ATOM 129 C THR A 8 -9.483 6.349 -0.793 1.00 0.00 C ATOM 130 O THR A 8 -8.278 6.198 -0.726 1.00 0.00 O ATOM 131 CB THR A 8 -10.884 7.983 0.509 1.00 0.00 C ATOM 132 OG1 THR A 8 -9.808 8.911 0.517 1.00 0.00 O ATOM 133 CG2 THR A 8 -11.728 8.167 1.771 1.00 0.00 C ATOM 0 H THR A 8 -8.656 7.054 1.705 1.00 0.00 H new ATOM 0 HA THR A 8 -11.120 5.813 0.448 1.00 0.00 H new ATOM 0 HB THR A 8 -11.507 8.155 -0.369 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.164 9.824 0.542 1.00 0.00 H new ATOM 0 HG21 THR A 8 -12.125 9.182 1.799 1.00 0.00 H new ATOM 0 HG22 THR A 8 -12.553 7.455 1.764 1.00 0.00 H new ATOM 0 HG23 THR A 8 -11.108 7.996 2.651 1.00 0.00 H new ATOM 141 N LEU A 9 -10.109 6.372 -1.943 1.00 0.00 N ATOM 142 CA LEU A 9 -9.350 6.209 -3.219 1.00 0.00 C ATOM 143 C LEU A 9 -8.756 7.551 -3.655 1.00 0.00 C ATOM 144 O LEU A 9 -7.603 7.634 -4.031 1.00 0.00 O ATOM 145 CB LEU A 9 -10.386 5.721 -4.238 1.00 0.00 C ATOM 146 CG LEU A 9 -10.194 4.224 -4.498 1.00 0.00 C ATOM 147 CD1 LEU A 9 -10.477 3.439 -3.215 1.00 0.00 C ATOM 148 CD2 LEU A 9 -11.161 3.770 -5.594 1.00 0.00 C ATOM 0 H LEU A 9 -11.115 6.497 -2.053 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.518 5.512 -3.119 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.393 5.908 -3.865 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.283 6.277 -5.170 1.00 0.00 H new ATOM 0 HG LEU A 9 -9.168 4.041 -4.816 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -10.340 2.374 -3.402 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.790 3.761 -2.432 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -11.503 3.622 -2.895 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -11.026 2.705 -5.780 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.186 3.955 -5.274 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.961 4.327 -6.509 1.00 0.00 H new ATOM 160 N GLU A 10 -9.527 8.606 -3.578 1.00 0.00 N ATOM 161 CA GLU A 10 -9.001 9.954 -3.955 1.00 0.00 C ATOM 162 C GLU A 10 -7.817 10.336 -3.061 1.00 0.00 C ATOM 163 O GLU A 10 -6.939 11.076 -3.464 1.00 0.00 O ATOM 164 CB GLU A 10 -10.169 10.920 -3.738 1.00 0.00 C ATOM 165 CG GLU A 10 -11.125 10.841 -4.929 1.00 0.00 C ATOM 166 CD GLU A 10 -12.050 12.058 -4.922 1.00 0.00 C ATOM 167 OE1 GLU A 10 -11.569 13.143 -4.638 1.00 0.00 O ATOM 168 OE2 GLU A 10 -13.226 11.887 -5.200 1.00 0.00 O ATOM 0 H GLU A 10 -10.499 8.592 -3.270 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.641 9.976 -4.984 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.696 10.669 -2.818 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.796 11.938 -3.624 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.560 10.806 -5.861 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.712 9.924 -4.877 1.00 0.00 H new ATOM 175 N GLU A 11 -7.772 9.811 -1.862 1.00 0.00 N ATOM 176 CA GLU A 11 -6.628 10.112 -0.948 1.00 0.00 C ATOM 177 C GLU A 11 -5.434 9.212 -1.278 1.00 0.00 C ATOM 178 O GLU A 11 -4.302 9.657 -1.302 1.00 0.00 O ATOM 179 CB GLU A 11 -7.154 9.813 0.456 1.00 0.00 C ATOM 180 CG GLU A 11 -6.124 10.265 1.493 1.00 0.00 C ATOM 181 CD GLU A 11 -6.792 10.371 2.865 1.00 0.00 C ATOM 182 OE1 GLU A 11 -7.917 10.841 2.919 1.00 0.00 O ATOM 183 OE2 GLU A 11 -6.168 9.981 3.838 1.00 0.00 O ATOM 0 H GLU A 11 -8.480 9.186 -1.476 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.283 11.142 -1.044 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.100 10.329 0.619 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.350 8.746 0.563 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.298 9.555 1.533 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.703 11.229 1.207 1.00 0.00 H new ATOM 190 N ILE A 12 -5.684 7.959 -1.559 1.00 0.00 N ATOM 191 CA ILE A 12 -4.569 7.029 -1.924 1.00 0.00 C ATOM 192 C ILE A 12 -4.132 7.269 -3.374 1.00 0.00 C ATOM 193 O ILE A 12 -2.990 7.044 -3.730 1.00 0.00 O ATOM 194 CB ILE A 12 -5.152 5.621 -1.758 1.00 0.00 C ATOM 195 CG1 ILE A 12 -5.603 5.420 -0.309 1.00 0.00 C ATOM 196 CG2 ILE A 12 -4.085 4.577 -2.101 1.00 0.00 C ATOM 197 CD1 ILE A 12 -6.491 4.177 -0.217 1.00 0.00 C ATOM 0 H ILE A 12 -6.613 7.538 -1.552 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.687 7.177 -1.301 1.00 0.00 H new ATOM 0 HB ILE A 12 -6.004 5.506 -2.427 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.735 5.308 0.341 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -6.150 6.297 0.038 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.503 3.577 -1.982 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.760 4.714 -3.132 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.232 4.696 -1.433 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -6.812 4.035 0.815 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -7.366 4.307 -0.854 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.929 3.303 -0.546 1.00 0.00 H new ATOM 209 N GLN A 13 -5.023 7.756 -4.202 1.00 0.00 N ATOM 210 CA GLN A 13 -4.655 8.051 -5.619 1.00 0.00 C ATOM 211 C GLN A 13 -4.149 9.491 -5.749 1.00 0.00 C ATOM 212 O GLN A 13 -4.555 10.223 -6.631 1.00 0.00 O ATOM 213 CB GLN A 13 -5.950 7.867 -6.411 1.00 0.00 C ATOM 214 CG GLN A 13 -6.330 6.385 -6.433 1.00 0.00 C ATOM 215 CD GLN A 13 -7.183 6.094 -7.669 1.00 0.00 C ATOM 216 OE1 GLN A 13 -6.836 6.481 -8.766 1.00 0.00 O ATOM 217 NE2 GLN A 13 -8.294 5.422 -7.536 1.00 0.00 N ATOM 0 H GLN A 13 -5.991 7.962 -3.956 1.00 0.00 H new ATOM 0 HA GLN A 13 -3.858 7.401 -5.980 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -6.751 8.452 -5.959 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -5.822 8.235 -7.429 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -5.431 5.769 -6.445 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -6.881 6.127 -5.529 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -8.586 5.097 -6.614 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -8.870 5.222 -8.354 1.00 0.00 H new ATOM 226 N LYS A 14 -3.236 9.886 -4.897 1.00 0.00 N ATOM 227 CA LYS A 14 -2.661 11.262 -4.990 1.00 0.00 C ATOM 228 C LYS A 14 -1.319 11.326 -4.257 1.00 0.00 C ATOM 229 O LYS A 14 -0.940 12.353 -3.727 1.00 0.00 O ATOM 230 CB LYS A 14 -3.688 12.166 -4.306 1.00 0.00 C ATOM 231 CG LYS A 14 -3.768 13.501 -5.049 1.00 0.00 C ATOM 232 CD LYS A 14 -5.194 14.047 -4.968 1.00 0.00 C ATOM 233 CE LYS A 14 -5.311 15.304 -5.834 1.00 0.00 C ATOM 234 NZ LYS A 14 -5.848 14.824 -7.138 1.00 0.00 N ATOM 0 H LYS A 14 -2.864 9.313 -4.140 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.474 11.562 -6.021 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -4.665 11.683 -4.298 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.406 12.333 -3.266 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -3.069 14.214 -4.612 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.477 13.367 -6.091 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -5.903 13.292 -5.307 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.447 14.280 -3.934 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.977 16.037 -5.378 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.343 15.788 -5.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.956 15.630 -7.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.190 14.133 -7.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.773 14.374 -6.988 1.00 0.00 H new ATOM 248 N HIS A 15 -0.582 10.243 -4.258 1.00 0.00 N ATOM 249 CA HIS A 15 0.759 10.243 -3.600 1.00 0.00 C ATOM 250 C HIS A 15 1.845 9.872 -4.613 1.00 0.00 C ATOM 251 O HIS A 15 2.160 8.712 -4.799 1.00 0.00 O ATOM 252 CB HIS A 15 0.663 9.179 -2.506 1.00 0.00 C ATOM 253 CG HIS A 15 -0.232 9.671 -1.402 1.00 0.00 C ATOM 254 ND1 HIS A 15 0.236 10.481 -0.378 1.00 0.00 N ATOM 255 CD2 HIS A 15 -1.566 9.478 -1.147 1.00 0.00 C ATOM 256 CE1 HIS A 15 -0.802 10.741 0.438 1.00 0.00 C ATOM 257 NE2 HIS A 15 -1.924 10.155 0.015 1.00 0.00 N ATOM 0 H HIS A 15 -0.852 9.358 -4.687 1.00 0.00 H new ATOM 0 HA HIS A 15 1.021 11.221 -3.197 1.00 0.00 H new ATOM 0 HB2 HIS A 15 0.270 8.251 -2.921 1.00 0.00 H new ATOM 0 HB3 HIS A 15 1.655 8.957 -2.112 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -2.237 8.890 -1.756 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -0.735 11.350 1.327 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -2.846 10.195 0.450 1.00 0.00 H new ATOM 266 N LYS A 16 2.445 10.853 -5.237 1.00 0.00 N ATOM 267 CA LYS A 16 3.547 10.571 -6.207 1.00 0.00 C ATOM 268 C LYS A 16 4.283 11.866 -6.567 1.00 0.00 C ATOM 269 O LYS A 16 4.790 12.016 -7.662 1.00 0.00 O ATOM 270 CB LYS A 16 2.857 9.976 -7.440 1.00 0.00 C ATOM 271 CG LYS A 16 1.826 10.965 -7.995 1.00 0.00 C ATOM 272 CD LYS A 16 1.418 10.539 -9.407 1.00 0.00 C ATOM 273 CE LYS A 16 0.432 11.557 -9.984 1.00 0.00 C ATOM 274 NZ LYS A 16 0.822 11.703 -11.414 1.00 0.00 N ATOM 0 H LYS A 16 2.219 11.840 -5.116 1.00 0.00 H new ATOM 0 HA LYS A 16 4.292 9.890 -5.795 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.598 9.744 -8.205 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.368 9.039 -7.176 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.951 10.997 -7.346 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.245 11.971 -8.014 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.299 10.468 -10.045 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.962 9.549 -9.382 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.596 11.208 -9.889 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.495 12.510 -9.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.190 12.386 -11.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.803 12.043 -11.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.745 10.782 -11.891 1.00 0.00 H new ATOM 288 N ASP A 17 4.373 12.785 -5.638 1.00 0.00 N ATOM 289 CA ASP A 17 5.110 14.057 -5.903 1.00 0.00 C ATOM 290 C ASP A 17 5.317 14.831 -4.599 1.00 0.00 C ATOM 291 O ASP A 17 6.376 15.379 -4.354 1.00 0.00 O ATOM 292 CB ASP A 17 4.213 14.845 -6.857 1.00 0.00 C ATOM 293 CG ASP A 17 4.929 16.124 -7.292 1.00 0.00 C ATOM 294 OD1 ASP A 17 5.152 16.974 -6.445 1.00 0.00 O ATOM 295 OD2 ASP A 17 5.245 16.234 -8.466 1.00 0.00 O ATOM 0 H ASP A 17 3.967 12.708 -4.706 1.00 0.00 H new ATOM 0 HA ASP A 17 6.098 13.879 -6.327 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.969 14.238 -7.729 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.271 15.092 -6.367 1.00 0.00 H new ATOM 300 N SER A 18 4.322 14.855 -3.748 1.00 0.00 N ATOM 301 CA SER A 18 4.462 15.565 -2.442 1.00 0.00 C ATOM 302 C SER A 18 5.178 14.671 -1.424 1.00 0.00 C ATOM 303 O SER A 18 4.675 14.413 -0.346 1.00 0.00 O ATOM 304 CB SER A 18 3.030 15.853 -1.993 1.00 0.00 C ATOM 305 OG SER A 18 2.433 14.650 -1.525 1.00 0.00 O ATOM 0 H SER A 18 3.416 14.412 -3.903 1.00 0.00 H new ATOM 0 HA SER A 18 5.053 16.477 -2.529 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.028 16.604 -1.203 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.452 16.261 -2.822 1.00 0.00 H new ATOM 0 HG SER A 18 2.903 14.343 -0.722 1.00 0.00 H new ATOM 311 N LYS A 19 6.376 14.235 -1.739 1.00 0.00 N ATOM 312 CA LYS A 19 7.171 13.400 -0.784 1.00 0.00 C ATOM 313 C LYS A 19 6.381 12.157 -0.364 1.00 0.00 C ATOM 314 O LYS A 19 5.214 12.014 -0.673 1.00 0.00 O ATOM 315 CB LYS A 19 7.446 14.299 0.427 1.00 0.00 C ATOM 316 CG LYS A 19 8.701 13.811 1.152 1.00 0.00 C ATOM 317 CD LYS A 19 9.450 15.010 1.738 1.00 0.00 C ATOM 318 CE LYS A 19 10.944 14.688 1.824 1.00 0.00 C ATOM 319 NZ LYS A 19 11.467 14.924 0.451 1.00 0.00 N ATOM 0 H LYS A 19 6.841 14.425 -2.627 1.00 0.00 H new ATOM 0 HA LYS A 19 8.096 13.045 -1.239 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.578 15.332 0.104 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.593 14.284 1.105 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.428 13.116 1.946 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.346 13.268 0.461 1.00 0.00 H new ATOM 0 HD2 LYS A 19 9.292 15.890 1.115 1.00 0.00 H new ATOM 0 HD3 LYS A 19 9.061 15.247 2.728 1.00 0.00 H new ATOM 0 HE2 LYS A 19 11.444 15.326 2.552 1.00 0.00 H new ATOM 0 HE3 LYS A 19 11.108 13.657 2.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 12.118 14.156 0.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.675 14.950 -0.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.974 15.831 0.424 1.00 0.00 H new ATOM 333 N SER A 20 7.009 11.275 0.370 1.00 0.00 N ATOM 334 CA SER A 20 6.315 10.041 0.866 1.00 0.00 C ATOM 335 C SER A 20 5.665 9.276 -0.295 1.00 0.00 C ATOM 336 O SER A 20 5.714 9.700 -1.434 1.00 0.00 O ATOM 337 CB SER A 20 5.248 10.536 1.847 1.00 0.00 C ATOM 338 OG SER A 20 4.340 9.479 2.127 1.00 0.00 O ATOM 0 H SER A 20 7.986 11.356 0.652 1.00 0.00 H new ATOM 0 HA SER A 20 7.014 9.353 1.341 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.717 10.881 2.768 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.714 11.386 1.423 1.00 0.00 H new ATOM 0 HG SER A 20 4.157 9.451 3.089 1.00 0.00 H new ATOM 344 N THR A 21 5.032 8.167 -0.003 1.00 0.00 N ATOM 345 CA THR A 21 4.343 7.386 -1.073 1.00 0.00 C ATOM 346 C THR A 21 3.269 6.480 -0.462 1.00 0.00 C ATOM 347 O THR A 21 3.515 5.775 0.499 1.00 0.00 O ATOM 348 CB THR A 21 5.446 6.551 -1.738 1.00 0.00 C ATOM 349 OG1 THR A 21 4.876 5.752 -2.764 1.00 0.00 O ATOM 350 CG2 THR A 21 6.118 5.645 -0.700 1.00 0.00 C ATOM 0 H THR A 21 4.963 7.769 0.934 1.00 0.00 H new ATOM 0 HA THR A 21 3.838 8.031 -1.792 1.00 0.00 H new ATOM 0 HB THR A 21 6.194 7.220 -2.163 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.578 5.219 -3.192 1.00 0.00 H new ATOM 0 HG21 THR A 21 6.899 5.057 -1.182 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.558 6.257 0.087 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.375 4.976 -0.266 1.00 0.00 H new ATOM 358 N TRP A 22 2.094 6.466 -1.038 1.00 0.00 N ATOM 359 CA TRP A 22 1.012 5.575 -0.524 1.00 0.00 C ATOM 360 C TRP A 22 0.840 4.367 -1.451 1.00 0.00 C ATOM 361 O TRP A 22 -0.121 4.273 -2.192 1.00 0.00 O ATOM 362 CB TRP A 22 -0.250 6.442 -0.527 1.00 0.00 C ATOM 363 CG TRP A 22 -0.287 7.277 0.714 1.00 0.00 C ATOM 364 CD1 TRP A 22 0.744 8.015 1.187 1.00 0.00 C ATOM 365 CD2 TRP A 22 -1.390 7.473 1.645 1.00 0.00 C ATOM 366 NE1 TRP A 22 0.343 8.651 2.348 1.00 0.00 N ATOM 367 CE2 TRP A 22 -0.964 8.349 2.672 1.00 0.00 C ATOM 368 CE3 TRP A 22 -2.706 6.981 1.698 1.00 0.00 C ATOM 369 CZ2 TRP A 22 -1.813 8.723 3.713 1.00 0.00 C ATOM 370 CZ3 TRP A 22 -3.565 7.355 2.745 1.00 0.00 C ATOM 371 CH2 TRP A 22 -3.119 8.225 3.751 1.00 0.00 C ATOM 0 H TRP A 22 1.837 7.035 -1.845 1.00 0.00 H new ATOM 0 HA TRP A 22 1.233 5.184 0.469 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -0.262 7.082 -1.409 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -1.137 5.811 -0.580 1.00 0.00 H new ATOM 0 HD1 TRP A 22 1.720 8.094 0.732 1.00 0.00 H new ATOM 0 HE1 TRP A 22 0.941 9.268 2.898 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -3.059 6.311 0.928 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -1.464 9.393 4.485 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -4.574 6.971 2.775 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -3.783 8.510 4.554 1.00 0.00 H new ATOM 382 N VAL A 23 1.745 3.423 -1.381 1.00 0.00 N ATOM 383 CA VAL A 23 1.619 2.194 -2.219 1.00 0.00 C ATOM 384 C VAL A 23 0.655 1.206 -1.554 1.00 0.00 C ATOM 385 O VAL A 23 0.628 1.075 -0.346 1.00 0.00 O ATOM 386 CB VAL A 23 3.035 1.607 -2.288 1.00 0.00 C ATOM 387 CG1 VAL A 23 3.025 0.334 -3.138 1.00 0.00 C ATOM 388 CG2 VAL A 23 3.984 2.628 -2.922 1.00 0.00 C ATOM 0 H VAL A 23 2.567 3.452 -0.778 1.00 0.00 H new ATOM 0 HA VAL A 23 1.224 2.407 -3.212 1.00 0.00 H new ATOM 0 HB VAL A 23 3.373 1.369 -1.279 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.032 -0.080 -3.185 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.352 -0.397 -2.690 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.683 0.572 -4.145 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.989 2.209 -2.970 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.642 2.867 -3.929 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.998 3.536 -2.319 1.00 0.00 H new ATOM 398 N ILE A 24 -0.101 0.483 -2.339 1.00 0.00 N ATOM 399 CA ILE A 24 -1.031 -0.536 -1.761 1.00 0.00 C ATOM 400 C ILE A 24 -0.625 -1.936 -2.233 1.00 0.00 C ATOM 401 O ILE A 24 -0.328 -2.144 -3.394 1.00 0.00 O ATOM 402 CB ILE A 24 -2.418 -0.165 -2.298 1.00 0.00 C ATOM 403 CG1 ILE A 24 -2.778 1.256 -1.850 1.00 0.00 C ATOM 404 CG2 ILE A 24 -3.460 -1.144 -1.752 1.00 0.00 C ATOM 405 CD1 ILE A 24 -2.391 2.251 -2.947 1.00 0.00 C ATOM 0 H ILE A 24 -0.115 0.553 -3.356 1.00 0.00 H new ATOM 0 HA ILE A 24 -1.012 -0.546 -0.671 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.406 -0.214 -3.387 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.846 1.324 -1.643 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.258 1.499 -0.924 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.445 -0.878 -2.135 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.209 -2.156 -2.068 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.469 -1.096 -0.663 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -2.647 3.261 -2.628 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -1.319 2.190 -3.132 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -2.931 2.011 -3.863 1.00 0.00 H new ATOM 417 N LEU A 25 -0.657 -2.902 -1.349 1.00 0.00 N ATOM 418 CA LEU A 25 -0.325 -4.302 -1.757 1.00 0.00 C ATOM 419 C LEU A 25 -1.589 -5.017 -2.244 1.00 0.00 C ATOM 420 O LEU A 25 -1.572 -5.722 -3.235 1.00 0.00 O ATOM 421 CB LEU A 25 0.222 -4.969 -0.488 1.00 0.00 C ATOM 422 CG LEU A 25 1.743 -4.766 -0.383 1.00 0.00 C ATOM 423 CD1 LEU A 25 2.439 -5.415 -1.581 1.00 0.00 C ATOM 424 CD2 LEU A 25 2.071 -3.268 -0.353 1.00 0.00 C ATOM 0 H LEU A 25 -0.898 -2.782 -0.365 1.00 0.00 H new ATOM 0 HA LEU A 25 0.396 -4.338 -2.573 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.268 -4.549 0.390 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.008 -6.034 -0.502 1.00 0.00 H new ATOM 0 HG LEU A 25 2.097 -5.231 0.537 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.516 -5.267 -1.500 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.219 -6.483 -1.595 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.078 -4.958 -2.503 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.150 -3.133 -0.279 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.709 -2.798 -1.267 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.587 -2.807 0.508 1.00 0.00 H new ATOM 436 N HIS A 26 -2.700 -4.765 -1.602 1.00 0.00 N ATOM 437 CA HIS A 26 -3.999 -5.339 -2.069 1.00 0.00 C ATOM 438 C HIS A 26 -5.156 -4.694 -1.297 1.00 0.00 C ATOM 439 O HIS A 26 -6.170 -4.333 -1.864 1.00 0.00 O ATOM 440 CB HIS A 26 -3.912 -6.846 -1.781 1.00 0.00 C ATOM 441 CG HIS A 26 -3.713 -7.087 -0.306 1.00 0.00 C ATOM 442 ND1 HIS A 26 -4.652 -7.754 0.465 1.00 0.00 N ATOM 443 CD2 HIS A 26 -2.691 -6.762 0.551 1.00 0.00 C ATOM 444 CE1 HIS A 26 -4.181 -7.809 1.723 1.00 0.00 C ATOM 445 NE2 HIS A 26 -2.988 -7.219 1.831 1.00 0.00 N ATOM 0 H HIS A 26 -2.764 -4.182 -0.768 1.00 0.00 H new ATOM 0 HA HIS A 26 -4.179 -5.153 -3.128 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -4.823 -7.340 -2.117 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -3.086 -7.283 -2.342 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -1.792 -6.232 0.273 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -4.704 -8.274 2.546 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -2.417 -7.124 2.671 1.00 0.00 H new ATOM 453 N HIS A 27 -4.967 -4.477 -0.022 1.00 0.00 N ATOM 454 CA HIS A 27 -6.000 -3.771 0.791 1.00 0.00 C ATOM 455 C HIS A 27 -5.320 -2.792 1.753 1.00 0.00 C ATOM 456 O HIS A 27 -5.716 -1.648 1.871 1.00 0.00 O ATOM 457 CB HIS A 27 -6.720 -4.875 1.565 1.00 0.00 C ATOM 458 CG HIS A 27 -7.932 -4.303 2.247 1.00 0.00 C ATOM 459 ND1 HIS A 27 -8.532 -4.924 3.333 1.00 0.00 N ATOM 460 CD2 HIS A 27 -8.671 -3.170 2.009 1.00 0.00 C ATOM 461 CE1 HIS A 27 -9.581 -4.169 3.704 1.00 0.00 C ATOM 462 NE2 HIS A 27 -9.711 -3.087 2.930 1.00 0.00 N ATOM 0 H HIS A 27 -4.135 -4.761 0.495 1.00 0.00 H new ATOM 0 HA HIS A 27 -6.691 -3.193 0.178 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.015 -5.676 0.887 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.048 -5.314 2.303 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.475 -2.452 1.226 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -10.238 -4.408 4.527 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -10.420 -2.357 2.999 1.00 0.00 H new ATOM 470 N LYS A 28 -4.263 -3.222 2.399 1.00 0.00 N ATOM 471 CA LYS A 28 -3.508 -2.306 3.308 1.00 0.00 C ATOM 472 C LYS A 28 -2.780 -1.230 2.495 1.00 0.00 C ATOM 473 O LYS A 28 -2.091 -1.524 1.533 1.00 0.00 O ATOM 474 CB LYS A 28 -2.499 -3.201 4.032 1.00 0.00 C ATOM 475 CG LYS A 28 -3.223 -4.029 5.096 1.00 0.00 C ATOM 476 CD LYS A 28 -2.287 -5.120 5.618 1.00 0.00 C ATOM 477 CE LYS A 28 -3.114 -6.291 6.152 1.00 0.00 C ATOM 478 NZ LYS A 28 -2.206 -7.009 7.088 1.00 0.00 N ATOM 0 H LYS A 28 -3.891 -4.170 2.335 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.167 -1.788 4.005 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.003 -3.859 3.319 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.723 -2.592 4.496 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.543 -3.387 5.916 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.122 -4.478 4.673 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.628 -5.461 4.820 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.651 -4.721 6.408 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.011 -5.940 6.663 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.443 -6.943 5.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.703 -7.827 7.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.365 -7.337 6.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.915 -6.365 7.851 1.00 0.00 H new ATOM 492 N VAL A 29 -2.882 0.005 2.916 1.00 0.00 N ATOM 493 CA VAL A 29 -2.149 1.106 2.223 1.00 0.00 C ATOM 494 C VAL A 29 -0.818 1.361 2.934 1.00 0.00 C ATOM 495 O VAL A 29 -0.772 1.518 4.140 1.00 0.00 O ATOM 496 CB VAL A 29 -3.068 2.329 2.334 1.00 0.00 C ATOM 497 CG1 VAL A 29 -2.417 3.528 1.642 1.00 0.00 C ATOM 498 CG2 VAL A 29 -4.410 2.025 1.660 1.00 0.00 C ATOM 0 H VAL A 29 -3.445 0.299 3.714 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.920 0.871 1.184 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.230 2.560 3.387 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.073 4.395 1.723 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.462 3.749 2.119 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.251 3.295 0.590 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -5.062 2.895 1.739 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.244 1.791 0.608 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.880 1.173 2.152 1.00 0.00 H new ATOM 508 N TYR A 30 0.266 1.369 2.201 1.00 0.00 N ATOM 509 CA TYR A 30 1.600 1.573 2.837 1.00 0.00 C ATOM 510 C TYR A 30 2.069 3.022 2.681 1.00 0.00 C ATOM 511 O TYR A 30 2.308 3.488 1.583 1.00 0.00 O ATOM 512 CB TYR A 30 2.548 0.643 2.078 1.00 0.00 C ATOM 513 CG TYR A 30 2.310 -0.786 2.493 1.00 0.00 C ATOM 514 CD1 TYR A 30 1.110 -1.423 2.159 1.00 0.00 C ATOM 515 CD2 TYR A 30 3.294 -1.477 3.208 1.00 0.00 C ATOM 516 CE1 TYR A 30 0.895 -2.752 2.538 1.00 0.00 C ATOM 517 CE2 TYR A 30 3.080 -2.804 3.589 1.00 0.00 C ATOM 518 CZ TYR A 30 1.879 -3.444 3.255 1.00 0.00 C ATOM 519 OH TYR A 30 1.668 -4.755 3.630 1.00 0.00 O ATOM 0 H TYR A 30 0.284 1.243 1.189 1.00 0.00 H new ATOM 0 HA TYR A 30 1.567 1.363 3.906 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.393 0.749 1.004 1.00 0.00 H new ATOM 0 HB3 TYR A 30 3.582 0.921 2.279 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.350 -0.889 1.609 1.00 0.00 H new ATOM 0 HD2 TYR A 30 4.220 -0.984 3.466 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -0.030 -3.245 2.278 1.00 0.00 H new ATOM 0 HE2 TYR A 30 3.840 -3.337 4.141 1.00 0.00 H new ATOM 0 HH TYR A 30 2.450 -5.085 4.119 1.00 0.00 H new ATOM 529 N ASP A 31 2.377 3.666 3.778 1.00 0.00 N ATOM 530 CA ASP A 31 3.039 5.002 3.703 1.00 0.00 C ATOM 531 C ASP A 31 4.543 4.813 3.896 1.00 0.00 C ATOM 532 O ASP A 31 5.060 4.947 4.989 1.00 0.00 O ATOM 533 CB ASP A 31 2.443 5.815 4.853 1.00 0.00 C ATOM 534 CG ASP A 31 2.993 7.242 4.808 1.00 0.00 C ATOM 535 OD1 ASP A 31 2.732 7.927 3.832 1.00 0.00 O ATOM 536 OD2 ASP A 31 3.667 7.626 5.751 1.00 0.00 O ATOM 0 H ASP A 31 2.198 3.324 4.722 1.00 0.00 H new ATOM 0 HA ASP A 31 2.884 5.503 2.748 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.356 5.830 4.776 1.00 0.00 H new ATOM 0 HB3 ASP A 31 2.689 5.349 5.807 1.00 0.00 H new ATOM 541 N LEU A 32 5.226 4.397 2.860 1.00 0.00 N ATOM 542 CA LEU A 32 6.682 4.070 2.995 1.00 0.00 C ATOM 543 C LEU A 32 7.540 5.319 2.760 1.00 0.00 C ATOM 544 O LEU A 32 8.530 5.274 2.054 1.00 0.00 O ATOM 545 CB LEU A 32 6.975 3.013 1.912 1.00 0.00 C ATOM 546 CG LEU A 32 5.902 1.902 1.926 1.00 0.00 C ATOM 547 CD1 LEU A 32 5.085 1.960 0.630 1.00 0.00 C ATOM 548 CD2 LEU A 32 6.569 0.527 2.044 1.00 0.00 C ATOM 0 H LEU A 32 4.840 4.269 1.925 1.00 0.00 H new ATOM 0 HA LEU A 32 6.917 3.703 3.994 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.000 3.488 0.931 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.959 2.576 2.080 1.00 0.00 H new ATOM 0 HG LEU A 32 5.245 2.056 2.782 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.328 1.175 0.641 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.599 2.932 0.550 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.746 1.814 -0.224 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.804 -0.249 2.053 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.234 0.371 1.195 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.144 0.480 2.969 1.00 0.00 H new ATOM 560 N THR A 33 7.205 6.415 3.396 1.00 0.00 N ATOM 561 CA THR A 33 8.041 7.648 3.264 1.00 0.00 C ATOM 562 C THR A 33 9.391 7.457 3.966 1.00 0.00 C ATOM 563 O THR A 33 10.373 8.083 3.614 1.00 0.00 O ATOM 564 CB THR A 33 7.230 8.767 3.933 1.00 0.00 C ATOM 565 OG1 THR A 33 7.969 9.979 3.875 1.00 0.00 O ATOM 566 CG2 THR A 33 6.945 8.415 5.396 1.00 0.00 C ATOM 0 H THR A 33 6.389 6.509 4.001 1.00 0.00 H new ATOM 0 HA THR A 33 8.261 7.882 2.222 1.00 0.00 H new ATOM 0 HB THR A 33 6.282 8.883 3.407 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.454 10.697 4.300 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.369 9.217 5.858 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.376 7.487 5.443 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.887 8.290 5.930 1.00 0.00 H new ATOM 574 N LYS A 34 9.455 6.566 4.926 1.00 0.00 N ATOM 575 CA LYS A 34 10.752 6.294 5.616 1.00 0.00 C ATOM 576 C LYS A 34 11.591 5.308 4.799 1.00 0.00 C ATOM 577 O LYS A 34 12.807 5.328 4.849 1.00 0.00 O ATOM 578 CB LYS A 34 10.362 5.680 6.962 1.00 0.00 C ATOM 579 CG LYS A 34 10.308 6.776 8.028 1.00 0.00 C ATOM 580 CD LYS A 34 11.688 6.927 8.674 1.00 0.00 C ATOM 581 CE LYS A 34 11.768 6.042 9.920 1.00 0.00 C ATOM 582 NZ LYS A 34 12.696 6.757 10.840 1.00 0.00 N ATOM 0 H LYS A 34 8.664 6.016 5.261 1.00 0.00 H new ATOM 0 HA LYS A 34 11.352 7.196 5.737 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.393 5.188 6.882 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.085 4.916 7.248 1.00 0.00 H new ATOM 0 HG2 LYS A 34 9.999 7.720 7.579 1.00 0.00 H new ATOM 0 HG3 LYS A 34 9.565 6.525 8.785 1.00 0.00 H new ATOM 0 HD2 LYS A 34 12.466 6.646 7.965 1.00 0.00 H new ATOM 0 HD3 LYS A 34 11.863 7.969 8.943 1.00 0.00 H new ATOM 0 HE2 LYS A 34 10.786 5.910 10.374 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.143 5.048 9.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 12.802 6.211 11.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 13.624 6.863 10.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 12.310 7.697 11.061 1.00 0.00 H new ATOM 596 N PHE A 35 10.952 4.473 4.016 1.00 0.00 N ATOM 597 CA PHE A 35 11.711 3.516 3.154 1.00 0.00 C ATOM 598 C PHE A 35 12.004 4.130 1.777 1.00 0.00 C ATOM 599 O PHE A 35 12.355 3.429 0.846 1.00 0.00 O ATOM 600 CB PHE A 35 10.792 2.304 3.011 1.00 0.00 C ATOM 601 CG PHE A 35 11.506 1.215 2.248 1.00 0.00 C ATOM 602 CD1 PHE A 35 12.645 0.609 2.791 1.00 0.00 C ATOM 603 CD2 PHE A 35 11.029 0.810 0.995 1.00 0.00 C ATOM 604 CE1 PHE A 35 13.308 -0.400 2.082 1.00 0.00 C ATOM 605 CE2 PHE A 35 11.691 -0.200 0.286 1.00 0.00 C ATOM 606 CZ PHE A 35 12.830 -0.804 0.830 1.00 0.00 C ATOM 0 H PHE A 35 9.937 4.413 3.937 1.00 0.00 H new ATOM 0 HA PHE A 35 12.676 3.257 3.589 1.00 0.00 H new ATOM 0 HB2 PHE A 35 10.498 1.940 3.995 1.00 0.00 H new ATOM 0 HB3 PHE A 35 9.878 2.588 2.490 1.00 0.00 H new ATOM 0 HD1 PHE A 35 13.013 0.920 3.758 1.00 0.00 H new ATOM 0 HD2 PHE A 35 10.150 1.277 0.575 1.00 0.00 H new ATOM 0 HE1 PHE A 35 14.188 -0.866 2.501 1.00 0.00 H new ATOM 0 HE2 PHE A 35 11.323 -0.513 -0.680 1.00 0.00 H new ATOM 0 HZ PHE A 35 13.341 -1.583 0.283 1.00 0.00 H new ATOM 616 N LEU A 36 11.895 5.431 1.646 1.00 0.00 N ATOM 617 CA LEU A 36 12.202 6.086 0.338 1.00 0.00 C ATOM 618 C LEU A 36 13.537 6.831 0.420 1.00 0.00 C ATOM 619 O LEU A 36 14.251 6.952 -0.558 1.00 0.00 O ATOM 620 CB LEU A 36 11.053 7.068 0.109 1.00 0.00 C ATOM 621 CG LEU A 36 10.752 7.163 -1.387 1.00 0.00 C ATOM 622 CD1 LEU A 36 9.312 7.637 -1.589 1.00 0.00 C ATOM 623 CD2 LEU A 36 11.711 8.164 -2.037 1.00 0.00 C ATOM 0 H LEU A 36 11.606 6.066 2.390 1.00 0.00 H new ATOM 0 HA LEU A 36 12.291 5.365 -0.475 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.166 6.738 0.649 1.00 0.00 H new ATOM 0 HB3 LEU A 36 11.317 8.050 0.501 1.00 0.00 H new ATOM 0 HG LEU A 36 10.881 6.183 -1.846 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.097 7.705 -2.656 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.627 6.927 -1.125 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.184 8.617 -1.130 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.497 8.233 -3.104 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.581 9.144 -1.577 1.00 0.00 H new ATOM 0 HD23 LEU A 36 12.738 7.829 -1.894 1.00 0.00 H new ATOM 635 N GLU A 37 13.891 7.300 1.590 1.00 0.00 N ATOM 636 CA GLU A 37 15.197 8.007 1.758 1.00 0.00 C ATOM 637 C GLU A 37 16.258 7.049 2.308 1.00 0.00 C ATOM 638 O GLU A 37 17.440 7.227 2.081 1.00 0.00 O ATOM 639 CB GLU A 37 14.913 9.126 2.759 1.00 0.00 C ATOM 640 CG GLU A 37 16.147 10.022 2.887 1.00 0.00 C ATOM 641 CD GLU A 37 16.201 10.619 4.295 1.00 0.00 C ATOM 642 OE1 GLU A 37 16.301 9.852 5.238 1.00 0.00 O ATOM 643 OE2 GLU A 37 16.142 11.833 4.405 1.00 0.00 O ATOM 0 H GLU A 37 13.330 7.223 2.438 1.00 0.00 H new ATOM 0 HA GLU A 37 15.582 8.391 0.813 1.00 0.00 H new ATOM 0 HB2 GLU A 37 14.056 9.714 2.430 1.00 0.00 H new ATOM 0 HB3 GLU A 37 14.655 8.703 3.730 1.00 0.00 H new ATOM 0 HG2 GLU A 37 17.050 9.445 2.690 1.00 0.00 H new ATOM 0 HG3 GLU A 37 16.110 10.819 2.144 1.00 0.00 H new ATOM 650 N GLU A 38 15.844 6.022 3.007 1.00 0.00 N ATOM 651 CA GLU A 38 16.825 5.032 3.546 1.00 0.00 C ATOM 652 C GLU A 38 17.249 4.052 2.448 1.00 0.00 C ATOM 653 O GLU A 38 18.357 3.547 2.452 1.00 0.00 O ATOM 654 CB GLU A 38 16.076 4.296 4.659 1.00 0.00 C ATOM 655 CG GLU A 38 17.030 4.020 5.823 1.00 0.00 C ATOM 656 CD GLU A 38 16.367 3.060 6.813 1.00 0.00 C ATOM 657 OE1 GLU A 38 15.779 2.090 6.362 1.00 0.00 O ATOM 658 OE2 GLU A 38 16.459 3.309 8.002 1.00 0.00 O ATOM 0 H GLU A 38 14.868 5.827 3.228 1.00 0.00 H new ATOM 0 HA GLU A 38 17.733 5.511 3.912 1.00 0.00 H new ATOM 0 HB2 GLU A 38 15.232 4.895 5.001 1.00 0.00 H new ATOM 0 HB3 GLU A 38 15.669 3.359 4.279 1.00 0.00 H new ATOM 0 HG2 GLU A 38 17.960 3.590 5.450 1.00 0.00 H new ATOM 0 HG3 GLU A 38 17.289 4.953 6.323 1.00 0.00 H new ATOM 665 N HIS A 39 16.391 3.813 1.489 1.00 0.00 N ATOM 666 CA HIS A 39 16.754 2.902 0.362 1.00 0.00 C ATOM 667 C HIS A 39 16.734 3.670 -0.970 1.00 0.00 C ATOM 668 O HIS A 39 15.755 3.619 -1.690 1.00 0.00 O ATOM 669 CB HIS A 39 15.682 1.813 0.373 1.00 0.00 C ATOM 670 CG HIS A 39 16.015 0.793 1.427 1.00 0.00 C ATOM 671 ND1 HIS A 39 15.997 1.095 2.779 1.00 0.00 N ATOM 672 CD2 HIS A 39 16.375 -0.530 1.343 1.00 0.00 C ATOM 673 CE1 HIS A 39 16.338 -0.021 3.450 1.00 0.00 C ATOM 674 NE2 HIS A 39 16.579 -1.041 2.621 1.00 0.00 N ATOM 0 H HIS A 39 15.453 4.210 1.438 1.00 0.00 H new ATOM 0 HA HIS A 39 17.756 2.487 0.472 1.00 0.00 H new ATOM 0 HB2 HIS A 39 14.704 2.252 0.572 1.00 0.00 H new ATOM 0 HB3 HIS A 39 15.623 1.335 -0.605 1.00 0.00 H new ATOM 0 HD2 HIS A 39 16.483 -1.088 0.425 1.00 0.00 H new ATOM 0 HE1 HIS A 39 16.408 -0.084 4.526 1.00 0.00 H new ATOM 0 HE2 HIS A 39 16.854 -1.991 2.871 1.00 0.00 H new ATOM 682 N PRO A 40 17.817 4.365 -1.265 1.00 0.00 N ATOM 683 CA PRO A 40 17.901 5.145 -2.532 1.00 0.00 C ATOM 684 C PRO A 40 17.578 4.261 -3.745 1.00 0.00 C ATOM 685 O PRO A 40 18.405 3.495 -4.201 1.00 0.00 O ATOM 686 CB PRO A 40 19.357 5.603 -2.577 1.00 0.00 C ATOM 687 CG PRO A 40 19.804 5.602 -1.153 1.00 0.00 C ATOM 688 CD PRO A 40 19.047 4.497 -0.464 1.00 0.00 C ATOM 0 HA PRO A 40 17.191 5.971 -2.564 1.00 0.00 H new ATOM 0 HB2 PRO A 40 19.964 4.930 -3.182 1.00 0.00 H new ATOM 0 HB3 PRO A 40 19.445 6.596 -3.018 1.00 0.00 H new ATOM 0 HG2 PRO A 40 20.879 5.436 -1.085 1.00 0.00 H new ATOM 0 HG3 PRO A 40 19.599 6.564 -0.682 1.00 0.00 H new ATOM 0 HD2 PRO A 40 19.618 3.568 -0.450 1.00 0.00 H new ATOM 0 HD3 PRO A 40 18.825 4.750 0.573 1.00 0.00 H new ATOM 696 N GLY A 41 16.394 4.394 -4.288 1.00 0.00 N ATOM 697 CA GLY A 41 16.025 3.599 -5.496 1.00 0.00 C ATOM 698 C GLY A 41 15.519 4.537 -6.592 1.00 0.00 C ATOM 699 O GLY A 41 15.917 4.438 -7.738 1.00 0.00 O ATOM 0 H GLY A 41 15.666 5.021 -3.945 1.00 0.00 H new ATOM 0 HA2 GLY A 41 16.889 3.039 -5.853 1.00 0.00 H new ATOM 0 HA3 GLY A 41 15.255 2.870 -5.243 1.00 0.00 H new ATOM 703 N GLY A 42 14.673 5.473 -6.240 1.00 0.00 N ATOM 704 CA GLY A 42 14.168 6.452 -7.246 1.00 0.00 C ATOM 705 C GLY A 42 12.702 6.774 -6.955 1.00 0.00 C ATOM 706 O GLY A 42 11.806 6.141 -7.475 1.00 0.00 O ATOM 0 H GLY A 42 14.310 5.600 -5.295 1.00 0.00 H new ATOM 0 HA2 GLY A 42 14.765 7.364 -7.213 1.00 0.00 H new ATOM 0 HA3 GLY A 42 14.268 6.041 -8.251 1.00 0.00 H new ATOM 710 N GLU A 43 12.455 7.784 -6.153 1.00 0.00 N ATOM 711 CA GLU A 43 11.048 8.200 -5.840 1.00 0.00 C ATOM 712 C GLU A 43 10.246 7.020 -5.259 1.00 0.00 C ATOM 713 O GLU A 43 10.203 6.834 -4.057 1.00 0.00 O ATOM 714 CB GLU A 43 10.451 8.688 -7.167 1.00 0.00 C ATOM 715 CG GLU A 43 10.790 10.167 -7.366 1.00 0.00 C ATOM 716 CD GLU A 43 10.344 10.610 -8.761 1.00 0.00 C ATOM 717 OE1 GLU A 43 11.009 10.248 -9.716 1.00 0.00 O ATOM 718 OE2 GLU A 43 9.345 11.305 -8.849 1.00 0.00 O ATOM 0 H GLU A 43 13.176 8.344 -5.697 1.00 0.00 H new ATOM 0 HA GLU A 43 11.017 8.986 -5.086 1.00 0.00 H new ATOM 0 HB2 GLU A 43 10.846 8.099 -7.994 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.370 8.549 -7.165 1.00 0.00 H new ATOM 0 HG2 GLU A 43 10.294 10.770 -6.606 1.00 0.00 H new ATOM 0 HG3 GLU A 43 11.862 10.324 -7.248 1.00 0.00 H new ATOM 725 N GLU A 44 9.648 6.200 -6.094 1.00 0.00 N ATOM 726 CA GLU A 44 8.897 5.017 -5.578 1.00 0.00 C ATOM 727 C GLU A 44 9.749 3.752 -5.710 1.00 0.00 C ATOM 728 O GLU A 44 9.775 3.115 -6.747 1.00 0.00 O ATOM 729 CB GLU A 44 7.654 4.920 -6.464 1.00 0.00 C ATOM 730 CG GLU A 44 6.804 6.181 -6.289 1.00 0.00 C ATOM 731 CD GLU A 44 5.669 6.178 -7.315 1.00 0.00 C ATOM 732 OE1 GLU A 44 5.904 5.736 -8.428 1.00 0.00 O ATOM 733 OE2 GLU A 44 4.585 6.618 -6.971 1.00 0.00 O ATOM 0 H GLU A 44 9.650 6.302 -7.109 1.00 0.00 H new ATOM 0 HA GLU A 44 8.640 5.119 -4.524 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.946 4.807 -7.508 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.073 4.037 -6.199 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.396 6.220 -5.279 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.422 7.070 -6.417 1.00 0.00 H new ATOM 740 N VAL A 45 10.422 3.367 -4.655 1.00 0.00 N ATOM 741 CA VAL A 45 11.250 2.123 -4.700 1.00 0.00 C ATOM 742 C VAL A 45 10.353 0.876 -4.691 1.00 0.00 C ATOM 743 O VAL A 45 10.748 -0.179 -5.152 1.00 0.00 O ATOM 744 CB VAL A 45 12.128 2.169 -3.442 1.00 0.00 C ATOM 745 CG1 VAL A 45 13.026 3.407 -3.496 1.00 0.00 C ATOM 746 CG2 VAL A 45 11.252 2.235 -2.185 1.00 0.00 C ATOM 0 H VAL A 45 10.434 3.861 -3.763 1.00 0.00 H new ATOM 0 HA VAL A 45 11.850 2.070 -5.608 1.00 0.00 H new ATOM 0 HB VAL A 45 12.739 1.267 -3.403 1.00 0.00 H new ATOM 0 HG11 VAL A 45 13.651 3.442 -2.604 1.00 0.00 H new ATOM 0 HG12 VAL A 45 13.660 3.358 -4.381 1.00 0.00 H new ATOM 0 HG13 VAL A 45 12.408 4.303 -3.542 1.00 0.00 H new ATOM 0 HG21 VAL A 45 11.887 2.267 -1.300 1.00 0.00 H new ATOM 0 HG22 VAL A 45 10.633 3.131 -2.220 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.612 1.354 -2.141 1.00 0.00 H new ATOM 756 N LEU A 46 9.145 0.997 -4.199 1.00 0.00 N ATOM 757 CA LEU A 46 8.213 -0.173 -4.195 1.00 0.00 C ATOM 758 C LEU A 46 7.706 -0.456 -5.614 1.00 0.00 C ATOM 759 O LEU A 46 6.521 -0.402 -5.883 1.00 0.00 O ATOM 760 CB LEU A 46 7.056 0.238 -3.279 1.00 0.00 C ATOM 761 CG LEU A 46 7.284 -0.333 -1.878 1.00 0.00 C ATOM 762 CD1 LEU A 46 7.981 0.713 -1.004 1.00 0.00 C ATOM 763 CD2 LEU A 46 5.935 -0.702 -1.252 1.00 0.00 C ATOM 0 H LEU A 46 8.764 1.855 -3.800 1.00 0.00 H new ATOM 0 HA LEU A 46 8.700 -1.084 -3.848 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.984 1.325 -3.233 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.112 -0.127 -3.683 1.00 0.00 H new ATOM 0 HG LEU A 46 7.910 -1.222 -1.948 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.143 0.304 -0.006 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.941 0.977 -1.448 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.356 1.604 -0.935 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.096 -1.109 -0.254 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.310 0.188 -1.184 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.438 -1.448 -1.872 1.00 0.00 H new ATOM 1078 N GLU A 69 9.840 -8.917 7.722 1.00 0.00 N ATOM 1079 CA GLU A 69 10.268 -8.019 6.608 1.00 0.00 C ATOM 1080 C GLU A 69 9.998 -6.556 6.975 1.00 0.00 C ATOM 1081 O GLU A 69 9.480 -6.260 8.035 1.00 0.00 O ATOM 1082 CB GLU A 69 9.416 -8.438 5.410 1.00 0.00 C ATOM 1083 CG GLU A 69 10.117 -9.568 4.654 1.00 0.00 C ATOM 1084 CD GLU A 69 9.598 -10.917 5.154 1.00 0.00 C ATOM 1085 OE1 GLU A 69 8.404 -11.025 5.377 1.00 0.00 O ATOM 1086 OE2 GLU A 69 10.405 -11.820 5.307 1.00 0.00 O ATOM 0 HA GLU A 69 11.334 -8.102 6.397 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.433 -8.767 5.747 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.258 -7.587 4.748 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.935 -9.471 3.584 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.195 -9.504 4.801 1.00 0.00 H new ATOM 1093 N LEU A 70 10.307 -5.648 6.085 1.00 0.00 N ATOM 1094 CA LEU A 70 10.028 -4.204 6.350 1.00 0.00 C ATOM 1095 C LEU A 70 8.560 -3.879 6.052 1.00 0.00 C ATOM 1096 O LEU A 70 7.993 -2.968 6.625 1.00 0.00 O ATOM 1097 CB LEU A 70 10.950 -3.439 5.401 1.00 0.00 C ATOM 1098 CG LEU A 70 11.470 -2.180 6.095 1.00 0.00 C ATOM 1099 CD1 LEU A 70 12.468 -2.573 7.186 1.00 0.00 C ATOM 1100 CD2 LEU A 70 12.164 -1.283 5.069 1.00 0.00 C ATOM 0 H LEU A 70 10.742 -5.845 5.184 1.00 0.00 H new ATOM 0 HA LEU A 70 10.204 -3.938 7.392 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.785 -4.072 5.100 1.00 0.00 H new ATOM 0 HB3 LEU A 70 10.411 -3.169 4.493 1.00 0.00 H new ATOM 0 HG LEU A 70 10.635 -1.642 6.544 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.839 -1.675 7.681 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.974 -3.213 7.917 1.00 0.00 H new ATOM 0 HD13 LEU A 70 13.303 -3.112 6.738 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.535 -0.385 5.563 1.00 0.00 H new ATOM 0 HD22 LEU A 70 12.999 -1.822 4.620 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.453 -1.002 4.292 1.00 0.00 H new ATOM 1112 N SER A 71 7.933 -4.641 5.189 1.00 0.00 N ATOM 1113 CA SER A 71 6.488 -4.404 4.885 1.00 0.00 C ATOM 1114 C SER A 71 5.623 -4.836 6.075 1.00 0.00 C ATOM 1115 O SER A 71 4.808 -5.734 5.971 1.00 0.00 O ATOM 1116 CB SER A 71 6.188 -5.269 3.659 1.00 0.00 C ATOM 1117 OG SER A 71 6.775 -6.552 3.833 1.00 0.00 O ATOM 0 H SER A 71 8.360 -5.417 4.682 1.00 0.00 H new ATOM 0 HA SER A 71 6.272 -3.352 4.699 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.111 -5.365 3.522 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.582 -4.795 2.760 1.00 0.00 H new ATOM 0 HG SER A 71 6.583 -7.109 3.050 1.00 0.00 H new ATOM 1123 N LYS A 72 5.767 -4.169 7.192 1.00 0.00 N ATOM 1124 CA LYS A 72 4.927 -4.496 8.383 1.00 0.00 C ATOM 1125 C LYS A 72 4.816 -3.274 9.298 1.00 0.00 C ATOM 1126 O LYS A 72 3.736 -2.896 9.713 1.00 0.00 O ATOM 1127 CB LYS A 72 5.669 -5.631 9.091 1.00 0.00 C ATOM 1128 CG LYS A 72 4.656 -6.617 9.675 1.00 0.00 C ATOM 1129 CD LYS A 72 5.230 -8.034 9.618 1.00 0.00 C ATOM 1130 CE LYS A 72 4.091 -9.051 9.712 1.00 0.00 C ATOM 1131 NZ LYS A 72 3.543 -9.143 8.329 1.00 0.00 N ATOM 0 H LYS A 72 6.433 -3.409 7.330 1.00 0.00 H new ATOM 0 HA LYS A 72 3.912 -4.783 8.109 1.00 0.00 H new ATOM 0 HB2 LYS A 72 6.327 -6.143 8.389 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.299 -5.229 9.884 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.424 -6.349 10.706 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.722 -6.569 9.115 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.783 -8.177 8.690 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.935 -8.185 10.435 1.00 0.00 H new ATOM 0 HE2 LYS A 72 4.453 -10.019 10.058 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.328 -8.725 10.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.507 -9.220 8.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.805 -8.290 7.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.934 -9.982 7.856 1.00 0.00 H new ATOM 1145 N THR A 73 5.919 -2.621 9.563 1.00 0.00 N ATOM 1146 CA THR A 73 5.879 -1.378 10.394 1.00 0.00 C ATOM 1147 C THR A 73 5.937 -0.140 9.493 1.00 0.00 C ATOM 1148 O THR A 73 6.366 0.919 9.910 1.00 0.00 O ATOM 1149 CB THR A 73 7.117 -1.445 11.294 1.00 0.00 C ATOM 1150 OG1 THR A 73 8.293 -1.448 10.490 1.00 0.00 O ATOM 1151 CG2 THR A 73 7.067 -2.714 12.152 1.00 0.00 C ATOM 0 H THR A 73 6.847 -2.895 9.240 1.00 0.00 H new ATOM 0 HA THR A 73 4.962 -1.308 10.979 1.00 0.00 H new ATOM 0 HB THR A 73 7.134 -0.574 11.950 1.00 0.00 H new ATOM 0 HG1 THR A 73 8.381 -0.584 10.036 1.00 0.00 H new ATOM 0 HG21 THR A 73 7.950 -2.757 12.790 1.00 0.00 H new ATOM 0 HG22 THR A 73 6.171 -2.699 12.773 1.00 0.00 H new ATOM 0 HG23 THR A 73 7.045 -3.590 11.504 1.00 0.00 H new ATOM 1159 N TYR A 74 5.472 -0.259 8.275 1.00 0.00 N ATOM 1160 CA TYR A 74 5.454 0.916 7.353 1.00 0.00 C ATOM 1161 C TYR A 74 4.063 1.075 6.733 1.00 0.00 C ATOM 1162 O TYR A 74 3.919 1.583 5.637 1.00 0.00 O ATOM 1163 CB TYR A 74 6.484 0.587 6.272 1.00 0.00 C ATOM 1164 CG TYR A 74 7.864 0.978 6.747 1.00 0.00 C ATOM 1165 CD1 TYR A 74 8.500 0.230 7.745 1.00 0.00 C ATOM 1166 CD2 TYR A 74 8.508 2.088 6.186 1.00 0.00 C ATOM 1167 CE1 TYR A 74 9.779 0.592 8.183 1.00 0.00 C ATOM 1168 CE2 TYR A 74 9.788 2.450 6.625 1.00 0.00 C ATOM 1169 CZ TYR A 74 10.423 1.702 7.623 1.00 0.00 C ATOM 1170 OH TYR A 74 11.684 2.058 8.056 1.00 0.00 O ATOM 0 H TYR A 74 5.103 -1.123 7.879 1.00 0.00 H new ATOM 0 HA TYR A 74 5.685 1.849 7.867 1.00 0.00 H new ATOM 0 HB2 TYR A 74 6.456 -0.478 6.042 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.242 1.118 5.352 1.00 0.00 H new ATOM 0 HD1 TYR A 74 8.004 -0.626 8.177 1.00 0.00 H new ATOM 0 HD2 TYR A 74 8.018 2.665 5.415 1.00 0.00 H new ATOM 0 HE1 TYR A 74 10.269 0.015 8.953 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.285 3.306 6.193 1.00 0.00 H new ATOM 0 HH TYR A 74 11.987 2.850 7.564 1.00 0.00 H new ATOM 1180 N ILE A 75 3.039 0.655 7.433 1.00 0.00 N ATOM 1181 CA ILE A 75 1.651 0.790 6.893 1.00 0.00 C ATOM 1182 C ILE A 75 0.873 1.840 7.693 1.00 0.00 C ATOM 1183 O ILE A 75 1.270 2.227 8.775 1.00 0.00 O ATOM 1184 CB ILE A 75 1.014 -0.595 7.058 1.00 0.00 C ATOM 1185 CG1 ILE A 75 1.856 -1.645 6.324 1.00 0.00 C ATOM 1186 CG2 ILE A 75 -0.394 -0.581 6.464 1.00 0.00 C ATOM 1187 CD1 ILE A 75 1.376 -3.046 6.710 1.00 0.00 C ATOM 0 H ILE A 75 3.104 0.224 8.355 1.00 0.00 H new ATOM 0 HA ILE A 75 1.646 1.114 5.852 1.00 0.00 H new ATOM 0 HB ILE A 75 0.967 -0.842 8.119 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.773 -1.505 5.246 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.909 -1.526 6.580 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.848 -1.565 6.581 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.000 0.162 6.982 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.340 -0.330 5.405 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.975 -3.792 6.188 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.482 -3.183 7.786 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.329 -3.161 6.431 1.00 0.00 H new ATOM 1199 N ILE A 76 -0.235 2.298 7.165 1.00 0.00 N ATOM 1200 CA ILE A 76 -1.052 3.322 7.892 1.00 0.00 C ATOM 1201 C ILE A 76 -2.503 2.852 8.060 1.00 0.00 C ATOM 1202 O ILE A 76 -3.134 3.129 9.064 1.00 0.00 O ATOM 1203 CB ILE A 76 -0.989 4.585 7.023 1.00 0.00 C ATOM 1204 CG1 ILE A 76 -1.475 4.272 5.598 1.00 0.00 C ATOM 1205 CG2 ILE A 76 0.453 5.088 6.969 1.00 0.00 C ATOM 1206 CD1 ILE A 76 -1.514 5.559 4.770 1.00 0.00 C ATOM 0 H ILE A 76 -0.610 2.008 6.262 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.669 3.500 8.897 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.632 5.350 7.457 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.811 3.546 5.128 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.467 3.821 5.633 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.502 5.985 6.352 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.795 5.321 7.977 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.092 4.317 6.539 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.859 5.332 3.761 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.196 6.271 5.235 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.515 5.992 4.723 1.00 0.00 H new ATOM 1218 N GLY A 77 -3.032 2.136 7.099 1.00 0.00 N ATOM 1219 CA GLY A 77 -4.435 1.640 7.216 1.00 0.00 C ATOM 1220 C GLY A 77 -4.792 0.813 5.981 1.00 0.00 C ATOM 1221 O GLY A 77 -3.926 0.351 5.263 1.00 0.00 O ATOM 0 H GLY A 77 -2.551 1.874 6.238 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.543 1.034 8.115 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -5.122 2.481 7.314 1.00 0.00 H new ATOM 1225 N GLU A 78 -6.063 0.666 5.704 1.00 0.00 N ATOM 1226 CA GLU A 78 -6.487 -0.083 4.483 1.00 0.00 C ATOM 1227 C GLU A 78 -7.260 0.839 3.539 1.00 0.00 C ATOM 1228 O GLU A 78 -7.336 2.034 3.751 1.00 0.00 O ATOM 1229 CB GLU A 78 -7.393 -1.203 4.994 1.00 0.00 C ATOM 1230 CG GLU A 78 -6.542 -2.414 5.383 1.00 0.00 C ATOM 1231 CD GLU A 78 -7.455 -3.590 5.738 1.00 0.00 C ATOM 1232 OE1 GLU A 78 -8.522 -3.346 6.275 1.00 0.00 O ATOM 1233 OE2 GLU A 78 -7.068 -4.715 5.466 1.00 0.00 O ATOM 0 H GLU A 78 -6.826 1.033 6.272 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.636 -0.471 3.924 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -7.966 -0.857 5.854 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -8.112 -1.483 4.224 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -5.883 -2.688 4.559 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.905 -2.166 6.232 1.00 0.00 H new ATOM 1240 N LEU A 79 -7.876 0.282 2.528 1.00 0.00 N ATOM 1241 CA LEU A 79 -8.701 1.109 1.597 1.00 0.00 C ATOM 1242 C LEU A 79 -10.190 0.856 1.847 1.00 0.00 C ATOM 1243 O LEU A 79 -10.584 -0.227 2.237 1.00 0.00 O ATOM 1244 CB LEU A 79 -8.304 0.643 0.195 1.00 0.00 C ATOM 1245 CG LEU A 79 -8.968 1.542 -0.850 1.00 0.00 C ATOM 1246 CD1 LEU A 79 -8.033 1.705 -2.051 1.00 0.00 C ATOM 1247 CD2 LEU A 79 -10.282 0.907 -1.311 1.00 0.00 C ATOM 0 H LEU A 79 -7.843 -0.713 2.307 1.00 0.00 H new ATOM 0 HA LEU A 79 -8.533 2.177 1.733 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -7.220 0.676 0.083 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -8.608 -0.393 0.045 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.171 2.519 -0.411 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.506 2.345 -2.796 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.097 2.158 -1.724 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.830 0.728 -2.489 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.754 1.548 -2.055 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -10.080 -0.070 -1.749 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.949 0.790 -0.457 1.00 0.00 H new ATOM 1259 N HIS A 80 -11.021 1.836 1.592 1.00 0.00 N ATOM 1260 CA HIS A 80 -12.495 1.647 1.777 1.00 0.00 C ATOM 1261 C HIS A 80 -12.999 0.487 0.896 1.00 0.00 C ATOM 1262 O HIS A 80 -13.021 0.608 -0.312 1.00 0.00 O ATOM 1263 CB HIS A 80 -13.127 2.966 1.327 1.00 0.00 C ATOM 1264 CG HIS A 80 -14.471 3.131 1.984 1.00 0.00 C ATOM 1265 ND1 HIS A 80 -15.258 2.047 2.337 1.00 0.00 N ATOM 1266 CD2 HIS A 80 -15.178 4.246 2.357 1.00 0.00 C ATOM 1267 CE1 HIS A 80 -16.384 2.529 2.896 1.00 0.00 C ATOM 1268 NE2 HIS A 80 -16.387 3.863 2.934 1.00 0.00 N ATOM 0 H HIS A 80 -10.743 2.761 1.263 1.00 0.00 H new ATOM 0 HA HIS A 80 -12.750 1.401 2.808 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -12.477 3.801 1.590 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -13.237 2.977 0.243 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -14.848 5.266 2.224 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -17.187 1.911 3.269 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -17.117 4.471 3.305 1.00 0.00 H new ATOM 1276 N PRO A 81 -13.389 -0.612 1.520 1.00 0.00 N ATOM 1277 CA PRO A 81 -13.889 -1.787 0.747 1.00 0.00 C ATOM 1278 C PRO A 81 -15.022 -1.380 -0.208 1.00 0.00 C ATOM 1279 O PRO A 81 -15.255 -2.024 -1.214 1.00 0.00 O ATOM 1280 CB PRO A 81 -14.415 -2.732 1.826 1.00 0.00 C ATOM 1281 CG PRO A 81 -13.667 -2.356 3.061 1.00 0.00 C ATOM 1282 CD PRO A 81 -13.405 -0.877 2.970 1.00 0.00 C ATOM 0 HA PRO A 81 -13.116 -2.236 0.123 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -15.490 -2.615 1.964 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -14.239 -3.774 1.559 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -14.247 -2.593 3.953 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -12.732 -2.912 3.132 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -14.182 -0.301 3.473 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -12.457 -0.609 3.436 1.00 0.00 H new ATOM 1290 N ASP A 82 -15.708 -0.304 0.091 1.00 0.00 N ATOM 1291 CA ASP A 82 -16.808 0.165 -0.811 1.00 0.00 C ATOM 1292 C ASP A 82 -16.266 0.448 -2.216 1.00 0.00 C ATOM 1293 O ASP A 82 -16.974 0.325 -3.198 1.00 0.00 O ATOM 1294 CB ASP A 82 -17.332 1.454 -0.173 1.00 0.00 C ATOM 1295 CG ASP A 82 -18.344 1.106 0.921 1.00 0.00 C ATOM 1296 OD1 ASP A 82 -18.023 0.277 1.756 1.00 0.00 O ATOM 1297 OD2 ASP A 82 -19.422 1.676 0.905 1.00 0.00 O ATOM 0 H ASP A 82 -15.555 0.270 0.920 1.00 0.00 H new ATOM 0 HA ASP A 82 -17.592 -0.585 -0.918 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -16.506 2.026 0.249 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -17.800 2.083 -0.930 1.00 0.00 H new ATOM 1302 N ASP A 83 -15.007 0.790 -2.320 1.00 0.00 N ATOM 1303 CA ASP A 83 -14.401 1.041 -3.661 1.00 0.00 C ATOM 1304 C ASP A 83 -13.487 -0.121 -4.058 1.00 0.00 C ATOM 1305 O ASP A 83 -13.325 -0.421 -5.227 1.00 0.00 O ATOM 1306 CB ASP A 83 -13.591 2.328 -3.496 1.00 0.00 C ATOM 1307 CG ASP A 83 -14.498 3.537 -3.734 1.00 0.00 C ATOM 1308 OD1 ASP A 83 -14.636 3.932 -4.880 1.00 0.00 O ATOM 1309 OD2 ASP A 83 -15.038 4.047 -2.767 1.00 0.00 O ATOM 0 H ASP A 83 -14.371 0.906 -1.531 1.00 0.00 H new ATOM 0 HA ASP A 83 -15.155 1.131 -4.443 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -13.161 2.374 -2.495 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -12.760 2.340 -4.201 1.00 0.00 H new ATOM 1314 N ARG A 84 -12.919 -0.799 -3.092 1.00 0.00 N ATOM 1315 CA ARG A 84 -12.048 -1.973 -3.406 1.00 0.00 C ATOM 1316 C ARG A 84 -12.906 -3.178 -3.800 1.00 0.00 C ATOM 1317 O ARG A 84 -12.597 -3.890 -4.736 1.00 0.00 O ATOM 1318 CB ARG A 84 -11.282 -2.261 -2.112 1.00 0.00 C ATOM 1319 CG ARG A 84 -9.842 -2.659 -2.446 1.00 0.00 C ATOM 1320 CD ARG A 84 -9.361 -3.722 -1.454 1.00 0.00 C ATOM 1321 NE ARG A 84 -9.754 -5.030 -2.066 1.00 0.00 N ATOM 1322 CZ ARG A 84 -9.869 -6.123 -1.337 1.00 0.00 C ATOM 1323 NH1 ARG A 84 -9.602 -6.125 -0.052 1.00 0.00 N ATOM 1324 NH2 ARG A 84 -10.257 -7.231 -1.908 1.00 0.00 N ATOM 0 H ARG A 84 -13.021 -0.590 -2.099 1.00 0.00 H new ATOM 0 HA ARG A 84 -11.376 -1.774 -4.241 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -11.287 -1.380 -1.471 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -11.772 -3.061 -1.558 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -9.787 -3.045 -3.464 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -9.192 -1.785 -2.402 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.283 -3.664 -1.306 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -9.825 -3.588 -0.477 1.00 0.00 H new ATOM 0 HE ARG A 84 -9.937 -5.077 -3.068 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -9.297 -5.267 0.407 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -9.700 -6.985 0.488 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -10.467 -7.244 -2.906 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -10.350 -8.084 -1.356 1.00 0.00 H new ATOM 1338 N SER A 85 -13.997 -3.389 -3.109 1.00 0.00 N ATOM 1339 CA SER A 85 -14.902 -4.526 -3.455 1.00 0.00 C ATOM 1340 C SER A 85 -15.933 -4.081 -4.502 1.00 0.00 C ATOM 1341 O SER A 85 -15.709 -3.141 -5.240 1.00 0.00 O ATOM 1342 CB SER A 85 -15.586 -4.898 -2.137 1.00 0.00 C ATOM 1343 OG SER A 85 -15.604 -6.313 -2.002 1.00 0.00 O ATOM 0 H SER A 85 -14.301 -2.821 -2.318 1.00 0.00 H new ATOM 0 HA SER A 85 -14.365 -5.372 -3.885 1.00 0.00 H new ATOM 0 HB2 SER A 85 -15.055 -4.448 -1.298 1.00 0.00 H new ATOM 0 HB3 SER A 85 -16.603 -4.506 -2.118 1.00 0.00 H new ATOM 0 HG SER A 85 -16.040 -6.556 -1.158 1.00 0.00 H new ATOM 1349 N LYS A 86 -17.071 -4.729 -4.543 1.00 0.00 N ATOM 1350 CA LYS A 86 -18.137 -4.326 -5.507 1.00 0.00 C ATOM 1351 C LYS A 86 -19.516 -4.597 -4.904 1.00 0.00 C ATOM 1352 O LYS A 86 -20.166 -5.574 -5.230 1.00 0.00 O ATOM 1353 CB LYS A 86 -17.906 -5.200 -6.740 1.00 0.00 C ATOM 1354 CG LYS A 86 -18.873 -4.782 -7.851 1.00 0.00 C ATOM 1355 CD LYS A 86 -18.248 -3.656 -8.675 1.00 0.00 C ATOM 1356 CE LYS A 86 -18.587 -2.307 -8.038 1.00 0.00 C ATOM 1357 NZ LYS A 86 -18.670 -1.353 -9.180 1.00 0.00 N ATOM 0 H LYS A 86 -17.307 -5.523 -3.947 1.00 0.00 H new ATOM 0 HA LYS A 86 -18.099 -3.264 -5.751 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -16.876 -5.099 -7.083 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -18.057 -6.250 -6.488 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -19.097 -5.635 -8.492 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -19.817 -4.450 -7.420 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -17.167 -3.785 -8.725 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -18.621 -3.690 -9.699 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -19.530 -2.353 -7.493 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -17.821 -2.003 -7.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -18.900 -0.403 -8.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -17.756 -1.325 -9.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -19.412 -1.664 -9.839 1.00 0.00 H new ATOM 1371 N ILE A 87 -19.972 -3.731 -4.036 1.00 0.00 N ATOM 1372 CA ILE A 87 -21.317 -3.918 -3.409 1.00 0.00 C ATOM 1373 C ILE A 87 -22.402 -3.259 -4.270 1.00 0.00 C ATOM 1374 O ILE A 87 -23.263 -2.562 -3.767 1.00 0.00 O ATOM 1375 CB ILE A 87 -21.229 -3.223 -2.045 1.00 0.00 C ATOM 1376 CG1 ILE A 87 -20.052 -3.798 -1.235 1.00 0.00 C ATOM 1377 CG2 ILE A 87 -22.534 -3.451 -1.279 1.00 0.00 C ATOM 1378 CD1 ILE A 87 -18.896 -2.792 -1.216 1.00 0.00 C ATOM 0 H ILE A 87 -19.468 -2.898 -3.732 1.00 0.00 H new ATOM 0 HA ILE A 87 -21.578 -4.972 -3.314 1.00 0.00 H new ATOM 0 HB ILE A 87 -21.069 -2.155 -2.195 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -20.372 -4.018 -0.216 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -19.721 -4.739 -1.675 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -22.477 -2.959 -0.308 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -23.367 -3.037 -1.847 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -22.689 -4.520 -1.135 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -18.066 -3.203 -0.642 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -18.569 -2.594 -2.237 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -19.230 -1.862 -0.756 1.00 0.00 H new