USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 555 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 12 CYS SG : rot 180:sc= -0.929 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -2.23 X(o=-2.2,f=-2.7!) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0193 USER MOD Single : A 24 LYS NZ :NH3+ -99:sc= 0.00517 (180deg=-1.05) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 60 THR OG1 : rot 4:sc= -0.479! USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.256 X(o=-0.26,f=-0.55) USER MOD Single : A 67 LYS NZ :NH3+ 147:sc= -0.116 (180deg=-0.866) USER MOD Single : A 68 GLN : amide:sc= -0.98 K(o=-0.98,f=-2.6!) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 CYS SG : rot -125:sc= -1.94 USER MOD Single : A 76 CYS SG : rot 62:sc= -2.36 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 68 N ILE A 8 9.639 0.996 4.070 1.00 0.00 N ATOM 69 CA ILE A 8 8.518 1.698 4.682 1.00 0.00 C ATOM 70 C ILE A 8 7.570 0.724 5.372 1.00 0.00 C ATOM 71 O ILE A 8 7.294 -0.359 4.857 1.00 0.00 O ATOM 72 CB ILE A 8 7.728 2.512 3.638 1.00 0.00 C ATOM 73 CG1 ILE A 8 8.681 3.337 2.772 1.00 0.00 C ATOM 74 CG2 ILE A 8 6.714 3.415 4.326 1.00 0.00 C ATOM 75 CD1 ILE A 8 8.039 3.878 1.514 1.00 0.00 C ATOM 0 HA ILE A 8 8.938 2.379 5.422 1.00 0.00 H new ATOM 0 HB ILE A 8 7.190 1.818 2.992 1.00 0.00 H new ATOM 0 HG12 ILE A 8 9.065 4.170 3.361 1.00 0.00 H new ATOM 0 HG13 ILE A 8 9.536 2.719 2.497 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.164 3.983 3.575 1.00 0.00 H new ATOM 0 HG22 ILE A 8 6.017 2.807 4.903 1.00 0.00 H new ATOM 0 HG23 ILE A 8 7.233 4.103 4.993 1.00 0.00 H new ATOM 0 HD11 ILE A 8 8.773 4.453 0.949 1.00 0.00 H new ATOM 0 HD12 ILE A 8 7.679 3.049 0.904 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.201 4.522 1.781 1.00 0.00 H new ATOM 87 N ASP A 9 7.074 1.117 6.541 1.00 0.00 N ATOM 88 CA ASP A 9 6.157 0.278 7.302 1.00 0.00 C ATOM 89 C ASP A 9 4.942 1.080 7.759 1.00 0.00 C ATOM 90 O ASP A 9 4.892 2.299 7.588 1.00 0.00 O ATOM 91 CB ASP A 9 6.871 -0.329 8.512 1.00 0.00 C ATOM 92 CG ASP A 9 7.083 -1.824 8.368 1.00 0.00 C ATOM 93 OD1 ASP A 9 8.055 -2.223 7.691 1.00 0.00 O ATOM 94 OD2 ASP A 9 6.276 -2.595 8.929 1.00 0.00 O ATOM 0 H ASP A 9 7.292 2.011 6.981 1.00 0.00 H new ATOM 0 HA ASP A 9 5.815 -0.528 6.653 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.836 0.161 8.645 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.287 -0.132 9.411 1.00 0.00 H new ATOM 99 N VAL A 10 3.966 0.391 8.339 1.00 0.00 N ATOM 100 CA VAL A 10 2.754 1.043 8.821 1.00 0.00 C ATOM 101 C VAL A 10 3.079 2.096 9.874 1.00 0.00 C ATOM 102 O VAL A 10 3.965 1.904 10.706 1.00 0.00 O ATOM 103 CB VAL A 10 1.764 0.021 9.415 1.00 0.00 C ATOM 104 CG1 VAL A 10 0.459 0.701 9.802 1.00 0.00 C ATOM 105 CG2 VAL A 10 1.511 -1.110 8.430 1.00 0.00 C ATOM 0 H VAL A 10 3.990 -0.618 8.487 1.00 0.00 H new ATOM 0 HA VAL A 10 2.290 1.526 7.961 1.00 0.00 H new ATOM 0 HB VAL A 10 2.206 -0.403 10.317 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.226 -0.037 10.219 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.657 1.473 10.546 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.009 1.155 8.919 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.810 -1.822 8.866 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.091 -0.704 7.510 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.451 -1.616 8.208 1.00 0.00 H new ATOM 115 N GLY A 11 2.355 3.209 9.831 1.00 0.00 N ATOM 116 CA GLY A 11 2.580 4.279 10.785 1.00 0.00 C ATOM 117 C GLY A 11 3.860 5.043 10.507 1.00 0.00 C ATOM 118 O GLY A 11 4.661 5.274 11.412 1.00 0.00 O ATOM 0 H GLY A 11 1.616 3.389 9.152 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.736 4.968 10.759 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.620 3.862 11.791 1.00 0.00 H new ATOM 122 N CYS A 12 4.052 5.436 9.252 1.00 0.00 N ATOM 123 CA CYS A 12 5.245 6.180 8.860 1.00 0.00 C ATOM 124 C CYS A 12 4.919 7.201 7.772 1.00 0.00 C ATOM 125 O CYS A 12 4.121 6.930 6.875 1.00 0.00 O ATOM 126 CB CYS A 12 6.330 5.219 8.369 1.00 0.00 C ATOM 127 SG CYS A 12 7.962 5.520 9.087 1.00 0.00 S ATOM 0 H CYS A 12 3.399 5.253 8.490 1.00 0.00 H new ATOM 0 HA CYS A 12 5.613 6.717 9.735 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.027 4.198 8.599 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.403 5.294 7.284 1.00 0.00 H new ATOM 0 HG CYS A 12 8.811 4.657 8.613 1.00 0.00 H new ATOM 133 N PRO A 13 5.534 8.396 7.836 1.00 0.00 N ATOM 134 CA PRO A 13 5.304 9.456 6.852 1.00 0.00 C ATOM 135 C PRO A 13 6.016 9.187 5.530 1.00 0.00 C ATOM 136 O PRO A 13 7.238 9.036 5.492 1.00 0.00 O ATOM 137 CB PRO A 13 5.888 10.694 7.531 1.00 0.00 C ATOM 138 CG PRO A 13 6.967 10.163 8.410 1.00 0.00 C ATOM 139 CD PRO A 13 6.502 8.808 8.874 1.00 0.00 C ATOM 0 HA PRO A 13 4.250 9.550 6.590 1.00 0.00 H new ATOM 0 HB2 PRO A 13 6.283 11.399 6.799 1.00 0.00 H new ATOM 0 HB3 PRO A 13 5.131 11.225 8.108 1.00 0.00 H new ATOM 0 HG2 PRO A 13 7.909 10.086 7.867 1.00 0.00 H new ATOM 0 HG3 PRO A 13 7.141 10.826 9.257 1.00 0.00 H new ATOM 0 HD2 PRO A 13 7.331 8.105 8.950 1.00 0.00 H new ATOM 0 HD3 PRO A 13 6.036 8.860 9.858 1.00 0.00 H new ATOM 147 N VAL A 14 5.247 9.128 4.449 1.00 0.00 N ATOM 148 CA VAL A 14 5.806 8.877 3.126 1.00 0.00 C ATOM 149 C VAL A 14 4.928 9.482 2.035 1.00 0.00 C ATOM 150 O VAL A 14 3.700 9.398 2.093 1.00 0.00 O ATOM 151 CB VAL A 14 5.967 7.369 2.859 1.00 0.00 C ATOM 152 CG1 VAL A 14 7.061 6.784 3.738 1.00 0.00 C ATOM 153 CG2 VAL A 14 4.648 6.644 3.081 1.00 0.00 C ATOM 0 H VAL A 14 4.234 9.251 4.463 1.00 0.00 H new ATOM 0 HA VAL A 14 6.788 9.349 3.104 1.00 0.00 H new ATOM 0 HB VAL A 14 6.259 7.232 1.818 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.160 5.718 3.535 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.006 7.283 3.524 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.803 6.931 4.787 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.781 5.580 2.888 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.323 6.788 4.111 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.894 7.044 2.403 1.00 0.00 H new ATOM 163 N LYS A 15 5.565 10.090 1.040 1.00 0.00 N ATOM 164 CA LYS A 15 4.844 10.708 -0.066 1.00 0.00 C ATOM 165 C LYS A 15 4.302 9.650 -1.023 1.00 0.00 C ATOM 166 O LYS A 15 4.988 8.678 -1.341 1.00 0.00 O ATOM 167 CB LYS A 15 5.756 11.677 -0.820 1.00 0.00 C ATOM 168 CG LYS A 15 6.402 12.723 0.075 1.00 0.00 C ATOM 169 CD LYS A 15 7.504 13.474 -0.655 1.00 0.00 C ATOM 170 CE LYS A 15 8.473 14.127 0.318 1.00 0.00 C ATOM 171 NZ LYS A 15 8.847 15.503 -0.110 1.00 0.00 N ATOM 0 H LYS A 15 6.580 10.168 0.977 1.00 0.00 H new ATOM 0 HA LYS A 15 4.001 11.262 0.348 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.538 11.109 -1.325 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.177 12.180 -1.594 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.645 13.428 0.418 1.00 0.00 H new ATOM 0 HG3 LYS A 15 6.814 12.241 0.962 1.00 0.00 H new ATOM 0 HD2 LYS A 15 8.046 12.786 -1.304 1.00 0.00 H new ATOM 0 HD3 LYS A 15 7.063 14.236 -1.297 1.00 0.00 H new ATOM 0 HE2 LYS A 15 8.021 14.165 1.309 1.00 0.00 H new ATOM 0 HE3 LYS A 15 9.372 13.516 0.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 9.509 15.913 0.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.301 15.464 -1.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 7.993 16.094 -0.164 1.00 0.00 H new ATOM 185 N VAL A 16 3.069 9.846 -1.477 1.00 0.00 N ATOM 186 CA VAL A 16 2.434 8.910 -2.396 1.00 0.00 C ATOM 187 C VAL A 16 2.081 9.589 -3.715 1.00 0.00 C ATOM 188 O VAL A 16 1.564 10.706 -3.731 1.00 0.00 O ATOM 189 CB VAL A 16 1.156 8.303 -1.788 1.00 0.00 C ATOM 190 CG1 VAL A 16 0.635 7.169 -2.658 1.00 0.00 C ATOM 191 CG2 VAL A 16 1.416 7.821 -0.366 1.00 0.00 C ATOM 0 H VAL A 16 2.489 10.646 -1.223 1.00 0.00 H new ATOM 0 HA VAL A 16 3.154 8.112 -2.581 1.00 0.00 H new ATOM 0 HB VAL A 16 0.391 9.079 -1.749 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.268 6.753 -2.211 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.406 7.550 -3.653 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.394 6.390 -2.734 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.501 7.395 0.047 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.197 7.061 -0.377 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.735 8.661 0.250 1.00 0.00 H new ATOM 201 N GLN A 17 2.363 8.908 -4.820 1.00 0.00 N ATOM 202 CA GLN A 17 2.075 9.446 -6.144 1.00 0.00 C ATOM 203 C GLN A 17 0.683 9.033 -6.610 1.00 0.00 C ATOM 204 O GLN A 17 0.426 7.856 -6.861 1.00 0.00 O ATOM 205 CB GLN A 17 3.125 8.969 -7.150 1.00 0.00 C ATOM 206 CG GLN A 17 3.287 9.893 -8.346 1.00 0.00 C ATOM 207 CD GLN A 17 4.733 10.047 -8.771 1.00 0.00 C ATOM 208 OE1 GLN A 17 5.530 9.116 -8.656 1.00 0.00 O ATOM 209 NE2 GLN A 17 5.082 11.229 -9.268 1.00 0.00 N ATOM 0 H GLN A 17 2.791 7.982 -4.825 1.00 0.00 H new ATOM 0 HA GLN A 17 2.108 10.534 -6.081 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.085 8.874 -6.643 1.00 0.00 H new ATOM 0 HB3 GLN A 17 2.852 7.975 -7.504 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.706 9.504 -9.182 1.00 0.00 H new ATOM 0 HG3 GLN A 17 2.878 10.873 -8.101 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.390 11.974 -9.346 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.042 11.391 -9.572 1.00 0.00 H new ATOM 218 N LEU A 18 -0.211 10.010 -6.721 1.00 0.00 N ATOM 219 CA LEU A 18 -1.579 9.747 -7.156 1.00 0.00 C ATOM 220 C LEU A 18 -1.665 9.698 -8.678 1.00 0.00 C ATOM 221 O LEU A 18 -1.941 8.649 -9.261 1.00 0.00 O ATOM 222 CB LEU A 18 -2.525 10.822 -6.615 1.00 0.00 C ATOM 223 CG LEU A 18 -2.944 10.640 -5.155 1.00 0.00 C ATOM 224 CD1 LEU A 18 -3.887 11.753 -4.728 1.00 0.00 C ATOM 225 CD2 LEU A 18 -3.596 9.279 -4.955 1.00 0.00 C ATOM 0 H LEU A 18 -0.014 10.990 -6.516 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.879 8.777 -6.761 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.044 11.794 -6.721 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.421 10.841 -7.235 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.052 10.689 -4.531 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.174 11.607 -3.687 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.386 12.715 -4.835 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.778 11.736 -5.356 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.888 9.165 -3.911 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.479 9.202 -5.589 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.888 8.494 -5.221 1.00 0.00 H new ATOM 237 N ARG A 19 -1.426 10.839 -9.317 1.00 0.00 N ATOM 238 CA ARG A 19 -1.475 10.926 -10.772 1.00 0.00 C ATOM 239 C ARG A 19 -0.255 10.257 -11.398 1.00 0.00 C ATOM 240 O ARG A 19 0.672 9.854 -10.697 1.00 0.00 O ATOM 241 CB ARG A 19 -1.557 12.390 -11.212 1.00 0.00 C ATOM 242 CG ARG A 19 -2.843 12.733 -11.947 1.00 0.00 C ATOM 243 CD ARG A 19 -4.015 12.866 -10.988 1.00 0.00 C ATOM 244 NE ARG A 19 -5.214 13.368 -11.654 1.00 0.00 N ATOM 245 CZ ARG A 19 -6.340 13.680 -11.017 1.00 0.00 C ATOM 246 NH1 ARG A 19 -6.427 13.542 -9.700 1.00 0.00 N ATOM 247 NH2 ARG A 19 -7.384 14.130 -11.700 1.00 0.00 N ATOM 0 H ARG A 19 -1.196 11.716 -8.850 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.367 10.402 -11.115 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.468 13.030 -10.334 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -0.708 12.615 -11.858 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.712 13.666 -12.495 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.060 11.959 -12.683 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.229 11.895 -10.540 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.743 13.539 -10.175 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.187 13.486 -12.667 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.628 13.195 -9.170 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.293 13.783 -9.218 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -7.323 14.237 -12.713 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.247 14.369 -11.213 1.00 0.00 H new ATOM 261 N SER A 20 -0.263 10.144 -12.722 1.00 0.00 N ATOM 262 CA SER A 20 0.842 9.525 -13.444 1.00 0.00 C ATOM 263 C SER A 20 2.036 10.471 -13.526 1.00 0.00 C ATOM 264 O SER A 20 2.198 11.200 -14.504 1.00 0.00 O ATOM 265 CB SER A 20 0.399 9.120 -14.850 1.00 0.00 C ATOM 266 OG SER A 20 -1.000 8.897 -14.899 1.00 0.00 O ATOM 0 H SER A 20 -1.023 10.473 -13.317 1.00 0.00 H new ATOM 0 HA SER A 20 1.145 8.633 -12.897 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.671 9.901 -15.560 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.926 8.215 -15.154 1.00 0.00 H new ATOM 0 HG SER A 20 -1.259 8.641 -15.809 1.00 0.00 H new ATOM 272 N GLY A 21 2.870 10.454 -12.491 1.00 0.00 N ATOM 273 CA GLY A 21 4.039 11.314 -12.465 1.00 0.00 C ATOM 274 C GLY A 21 3.676 12.785 -12.500 1.00 0.00 C ATOM 275 O GLY A 21 4.159 13.531 -13.352 1.00 0.00 O ATOM 0 H GLY A 21 2.757 9.860 -11.670 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.619 11.107 -11.565 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.678 11.080 -13.317 1.00 0.00 H new ATOM 279 N GLU A 22 2.824 13.204 -11.569 1.00 0.00 N ATOM 280 CA GLU A 22 2.396 14.597 -11.496 1.00 0.00 C ATOM 281 C GLU A 22 2.934 15.265 -10.234 1.00 0.00 C ATOM 282 O GLU A 22 3.693 16.231 -10.307 1.00 0.00 O ATOM 283 CB GLU A 22 0.870 14.686 -11.523 1.00 0.00 C ATOM 284 CG GLU A 22 0.344 16.106 -11.657 1.00 0.00 C ATOM 285 CD GLU A 22 -1.086 16.154 -12.155 1.00 0.00 C ATOM 286 OE1 GLU A 22 -1.369 15.543 -13.208 1.00 0.00 O ATOM 287 OE2 GLU A 22 -1.924 16.801 -11.493 1.00 0.00 O ATOM 0 H GLU A 22 2.417 12.600 -10.855 1.00 0.00 H new ATOM 0 HA GLU A 22 2.798 15.121 -12.363 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.495 14.089 -12.354 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.473 14.245 -10.609 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.405 16.605 -10.690 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.982 16.663 -12.343 1.00 0.00 H new ATOM 294 N GLU A 23 2.534 14.743 -9.079 1.00 0.00 N ATOM 295 CA GLU A 23 2.976 15.289 -7.801 1.00 0.00 C ATOM 296 C GLU A 23 2.738 14.291 -6.672 1.00 0.00 C ATOM 297 O GLU A 23 1.659 13.707 -6.563 1.00 0.00 O ATOM 298 CB GLU A 23 2.247 16.601 -7.504 1.00 0.00 C ATOM 299 CG GLU A 23 3.168 17.718 -7.042 1.00 0.00 C ATOM 300 CD GLU A 23 2.458 19.054 -6.937 1.00 0.00 C ATOM 301 OE1 GLU A 23 1.417 19.121 -6.252 1.00 0.00 O ATOM 302 OE2 GLU A 23 2.945 20.034 -7.540 1.00 0.00 O ATOM 0 H GLU A 23 1.905 13.944 -9.002 1.00 0.00 H new ATOM 0 HA GLU A 23 4.046 15.485 -7.867 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.719 16.925 -8.401 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.493 16.422 -6.737 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.590 17.458 -6.071 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.002 17.808 -7.738 1.00 0.00 H new ATOM 309 N LYS A 24 3.751 14.100 -5.834 1.00 0.00 N ATOM 310 CA LYS A 24 3.651 13.172 -4.713 1.00 0.00 C ATOM 311 C LYS A 24 3.251 13.904 -3.436 1.00 0.00 C ATOM 312 O LYS A 24 3.938 14.826 -2.995 1.00 0.00 O ATOM 313 CB LYS A 24 4.982 12.448 -4.504 1.00 0.00 C ATOM 314 CG LYS A 24 5.287 11.414 -5.576 1.00 0.00 C ATOM 315 CD LYS A 24 5.893 10.153 -4.979 1.00 0.00 C ATOM 316 CE LYS A 24 7.080 9.665 -5.793 1.00 0.00 C ATOM 317 NZ LYS A 24 7.707 8.455 -5.191 1.00 0.00 N ATOM 0 H LYS A 24 4.650 14.575 -5.909 1.00 0.00 H new ATOM 0 HA LYS A 24 2.879 12.439 -4.947 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.786 13.183 -4.481 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.970 11.958 -3.531 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.371 11.161 -6.110 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.975 11.839 -6.307 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.210 10.350 -3.955 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.136 9.371 -4.934 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.755 9.438 -6.808 1.00 0.00 H new ATOM 0 HE3 LYS A 24 7.822 10.460 -5.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.546 8.735 -4.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 7.024 7.986 -4.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.990 7.798 -5.946 1.00 0.00 H new ATOM 331 N PHE A 25 2.136 13.485 -2.843 1.00 0.00 N ATOM 332 CA PHE A 25 1.647 14.100 -1.616 1.00 0.00 C ATOM 333 C PHE A 25 2.064 13.281 -0.394 1.00 0.00 C ATOM 334 O PHE A 25 2.075 12.052 -0.438 1.00 0.00 O ATOM 335 CB PHE A 25 0.123 14.232 -1.659 1.00 0.00 C ATOM 336 CG PHE A 25 -0.378 14.997 -2.851 1.00 0.00 C ATOM 337 CD1 PHE A 25 -0.028 16.325 -3.036 1.00 0.00 C ATOM 338 CD2 PHE A 25 -1.201 14.389 -3.785 1.00 0.00 C ATOM 339 CE1 PHE A 25 -0.488 17.031 -4.131 1.00 0.00 C ATOM 340 CE2 PHE A 25 -1.664 15.089 -4.882 1.00 0.00 C ATOM 341 CZ PHE A 25 -1.308 16.413 -5.055 1.00 0.00 C ATOM 0 H PHE A 25 1.556 12.723 -3.193 1.00 0.00 H new ATOM 0 HA PHE A 25 2.089 15.093 -1.535 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -0.320 13.236 -1.664 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.217 14.728 -0.750 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.612 16.814 -2.316 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -1.484 13.355 -3.654 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.207 18.065 -4.264 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -2.303 14.602 -5.604 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.670 16.963 -5.911 1.00 0.00 H new ATOM 351 N PRO A 26 2.415 13.955 0.716 1.00 0.00 N ATOM 352 CA PRO A 26 2.833 13.279 1.948 1.00 0.00 C ATOM 353 C PRO A 26 1.672 12.582 2.650 1.00 0.00 C ATOM 354 O PRO A 26 0.530 13.035 2.580 1.00 0.00 O ATOM 355 CB PRO A 26 3.375 14.419 2.812 1.00 0.00 C ATOM 356 CG PRO A 26 2.656 15.632 2.331 1.00 0.00 C ATOM 357 CD PRO A 26 2.430 15.424 0.859 1.00 0.00 C ATOM 0 HA PRO A 26 3.561 12.491 1.754 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.185 14.239 3.870 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.454 14.526 2.696 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.710 15.759 2.857 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.244 16.532 2.512 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.491 15.869 0.531 1.00 0.00 H new ATOM 0 HD3 PRO A 26 3.223 15.877 0.263 1.00 0.00 H new ATOM 365 N GLY A 27 1.973 11.477 3.325 1.00 0.00 N ATOM 366 CA GLY A 27 0.944 10.734 4.029 1.00 0.00 C ATOM 367 C GLY A 27 1.520 9.701 4.977 1.00 0.00 C ATOM 368 O GLY A 27 2.637 9.223 4.781 1.00 0.00 O ATOM 0 H GLY A 27 2.911 11.083 3.397 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.318 11.428 4.590 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.299 10.238 3.304 1.00 0.00 H new ATOM 372 N VAL A 28 0.757 9.356 6.009 1.00 0.00 N ATOM 373 CA VAL A 28 1.197 8.374 6.991 1.00 0.00 C ATOM 374 C VAL A 28 0.609 6.998 6.695 1.00 0.00 C ATOM 375 O VAL A 28 -0.603 6.849 6.546 1.00 0.00 O ATOM 376 CB VAL A 28 0.806 8.795 8.422 1.00 0.00 C ATOM 377 CG1 VAL A 28 -0.707 8.883 8.564 1.00 0.00 C ATOM 378 CG2 VAL A 28 1.391 7.831 9.443 1.00 0.00 C ATOM 0 H VAL A 28 -0.170 9.743 6.186 1.00 0.00 H new ATOM 0 HA VAL A 28 2.284 8.322 6.922 1.00 0.00 H new ATOM 0 HB VAL A 28 1.221 9.785 8.613 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.960 9.181 9.581 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.096 9.620 7.862 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.150 7.910 8.351 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.104 8.145 10.446 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.011 6.827 9.255 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.478 7.829 9.361 1.00 0.00 H new ATOM 388 N VAL A 29 1.476 5.994 6.613 1.00 0.00 N ATOM 389 CA VAL A 29 1.043 4.630 6.335 1.00 0.00 C ATOM 390 C VAL A 29 0.079 4.133 7.408 1.00 0.00 C ATOM 391 O VAL A 29 0.340 4.273 8.603 1.00 0.00 O ATOM 392 CB VAL A 29 2.239 3.663 6.248 1.00 0.00 C ATOM 393 CG1 VAL A 29 1.802 2.325 5.671 1.00 0.00 C ATOM 394 CG2 VAL A 29 3.359 4.269 5.415 1.00 0.00 C ATOM 0 H VAL A 29 2.483 6.100 6.735 1.00 0.00 H new ATOM 0 HA VAL A 29 0.535 4.651 5.371 1.00 0.00 H new ATOM 0 HB VAL A 29 2.618 3.493 7.256 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.660 1.655 5.617 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.037 1.885 6.311 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.395 2.475 4.671 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.194 3.571 5.366 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.995 4.471 4.408 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.691 5.200 5.874 1.00 0.00 H new ATOM 404 N ARG A 30 -1.037 3.556 6.975 1.00 0.00 N ATOM 405 CA ARG A 30 -2.041 3.043 7.901 1.00 0.00 C ATOM 406 C ARG A 30 -2.193 1.530 7.767 1.00 0.00 C ATOM 407 O ARG A 30 -2.512 0.842 8.737 1.00 0.00 O ATOM 408 CB ARG A 30 -3.388 3.725 7.654 1.00 0.00 C ATOM 409 CG ARG A 30 -3.505 5.095 8.301 1.00 0.00 C ATOM 410 CD ARG A 30 -3.235 5.032 9.796 1.00 0.00 C ATOM 411 NE ARG A 30 -4.225 5.787 10.562 1.00 0.00 N ATOM 412 CZ ARG A 30 -4.422 5.634 11.870 1.00 0.00 C ATOM 413 NH1 ARG A 30 -3.700 4.759 12.560 1.00 0.00 N ATOM 414 NH2 ARG A 30 -5.342 6.360 12.490 1.00 0.00 N ATOM 0 H ARG A 30 -1.269 3.432 5.990 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.706 3.265 8.914 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -3.543 3.826 6.580 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.185 3.085 8.033 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.800 5.781 7.832 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.504 5.496 8.127 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.240 3.992 10.122 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.240 5.426 10.002 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.798 6.470 10.066 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.990 4.199 12.088 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -3.856 4.647 13.562 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.898 7.035 11.965 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -5.494 6.244 13.492 1.00 0.00 H new ATOM 428 N PHE A 31 -1.965 1.017 6.562 1.00 0.00 N ATOM 429 CA PHE A 31 -2.080 -0.414 6.308 1.00 0.00 C ATOM 430 C PHE A 31 -1.073 -0.865 5.255 1.00 0.00 C ATOM 431 O PHE A 31 -0.481 -0.044 4.555 1.00 0.00 O ATOM 432 CB PHE A 31 -3.501 -0.757 5.851 1.00 0.00 C ATOM 433 CG PHE A 31 -3.804 -2.227 5.880 1.00 0.00 C ATOM 434 CD1 PHE A 31 -4.220 -2.840 7.051 1.00 0.00 C ATOM 435 CD2 PHE A 31 -3.672 -2.997 4.736 1.00 0.00 C ATOM 436 CE1 PHE A 31 -4.501 -4.193 7.080 1.00 0.00 C ATOM 437 CE2 PHE A 31 -3.951 -4.351 4.758 1.00 0.00 C ATOM 438 CZ PHE A 31 -4.366 -4.949 5.932 1.00 0.00 C ATOM 0 H PHE A 31 -1.700 1.571 5.747 1.00 0.00 H new ATOM 0 HA PHE A 31 -1.865 -0.941 7.237 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.215 -0.235 6.489 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.647 -0.384 4.837 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -4.326 -2.254 7.952 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.347 -2.534 3.816 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.826 -4.658 7.999 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.845 -4.940 3.859 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.585 -6.006 5.952 1.00 0.00 H new ATOM 448 N ARG A 32 -0.884 -2.177 5.149 1.00 0.00 N ATOM 449 CA ARG A 32 0.051 -2.738 4.181 1.00 0.00 C ATOM 450 C ARG A 32 -0.172 -4.239 4.018 1.00 0.00 C ATOM 451 O ARG A 32 -0.443 -4.945 4.989 1.00 0.00 O ATOM 452 CB ARG A 32 1.493 -2.471 4.617 1.00 0.00 C ATOM 453 CG ARG A 32 2.531 -3.008 3.643 1.00 0.00 C ATOM 454 CD ARG A 32 3.728 -3.597 4.373 1.00 0.00 C ATOM 455 NE ARG A 32 3.483 -4.971 4.805 1.00 0.00 N ATOM 456 CZ ARG A 32 4.448 -5.827 5.137 1.00 0.00 C ATOM 457 NH1 ARG A 32 5.721 -5.454 5.090 1.00 0.00 N ATOM 458 NH2 ARG A 32 4.138 -7.058 5.518 1.00 0.00 N ATOM 0 H ARG A 32 -1.366 -2.870 5.721 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.126 -2.254 3.220 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.636 -1.397 4.732 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.658 -2.921 5.596 1.00 0.00 H new ATOM 0 HG2 ARG A 32 2.078 -3.771 3.011 1.00 0.00 H new ATOM 0 HG3 ARG A 32 2.864 -2.205 2.985 1.00 0.00 H new ATOM 0 HD2 ARG A 32 4.600 -3.572 3.719 1.00 0.00 H new ATOM 0 HD3 ARG A 32 3.963 -2.980 5.241 1.00 0.00 H new ATOM 0 HE ARG A 32 2.517 -5.294 4.855 1.00 0.00 H new ATOM 0 HH11 ARG A 32 5.965 -4.507 4.798 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.456 -6.114 5.345 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.161 -7.349 5.557 1.00 0.00 H new ATOM 0 HH22 ARG A 32 4.876 -7.714 5.772 1.00 0.00 H new ATOM 472 N GLY A 33 -0.056 -4.719 2.784 1.00 0.00 N ATOM 473 CA GLY A 33 -0.247 -6.132 2.517 1.00 0.00 C ATOM 474 C GLY A 33 -0.951 -6.385 1.195 1.00 0.00 C ATOM 475 O GLY A 33 -1.943 -5.724 0.886 1.00 0.00 O ATOM 0 H GLY A 33 0.167 -4.154 1.964 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.722 -6.631 2.510 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.828 -6.576 3.325 1.00 0.00 H new ATOM 479 N PRO A 34 -0.461 -7.340 0.383 1.00 0.00 N ATOM 480 CA PRO A 34 -1.068 -7.660 -0.914 1.00 0.00 C ATOM 481 C PRO A 34 -2.548 -8.007 -0.789 1.00 0.00 C ATOM 482 O PRO A 34 -3.020 -8.384 0.283 1.00 0.00 O ATOM 483 CB PRO A 34 -0.274 -8.879 -1.393 1.00 0.00 C ATOM 484 CG PRO A 34 1.026 -8.796 -0.671 1.00 0.00 C ATOM 485 CD PRO A 34 0.718 -8.181 0.664 1.00 0.00 C ATOM 0 HA PRO A 34 -1.028 -6.814 -1.600 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -0.796 -9.807 -1.161 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -0.128 -8.857 -2.473 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.470 -9.784 -0.552 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.742 -8.189 -1.225 1.00 0.00 H new ATOM 0 HD2 PRO A 34 0.502 -8.939 1.417 1.00 0.00 H new ATOM 0 HD3 PRO A 34 1.554 -7.590 1.038 1.00 0.00 H new ATOM 628 N ILE A 44 2.310 -6.172 -3.644 1.00 0.00 N ATOM 629 CA ILE A 44 2.217 -5.648 -2.287 1.00 0.00 C ATOM 630 C ILE A 44 1.721 -4.207 -2.287 1.00 0.00 C ATOM 631 O ILE A 44 2.353 -3.322 -2.865 1.00 0.00 O ATOM 632 CB ILE A 44 3.576 -5.712 -1.564 1.00 0.00 C ATOM 633 CG1 ILE A 44 4.213 -7.091 -1.746 1.00 0.00 C ATOM 634 CG2 ILE A 44 3.406 -5.391 -0.086 1.00 0.00 C ATOM 635 CD1 ILE A 44 5.673 -7.139 -1.348 1.00 0.00 C ATOM 0 HA ILE A 44 1.502 -6.276 -1.755 1.00 0.00 H new ATOM 0 HB ILE A 44 4.239 -4.967 -2.004 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.659 -7.819 -1.154 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.119 -7.391 -2.790 1.00 0.00 H new ATOM 0 HG21 ILE A 44 4.375 -5.440 0.411 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.993 -4.388 0.023 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.728 -6.114 0.368 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.059 -8.146 -1.503 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.240 -6.435 -1.958 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.772 -6.870 -0.296 1.00 0.00 H new ATOM 647 N PHE A 45 0.586 -3.977 -1.635 1.00 0.00 N ATOM 648 CA PHE A 45 0.004 -2.642 -1.558 1.00 0.00 C ATOM 649 C PHE A 45 0.322 -1.984 -0.219 1.00 0.00 C ATOM 650 O PHE A 45 0.471 -2.664 0.797 1.00 0.00 O ATOM 651 CB PHE A 45 -1.511 -2.712 -1.760 1.00 0.00 C ATOM 652 CG PHE A 45 -1.915 -3.000 -3.178 1.00 0.00 C ATOM 653 CD1 PHE A 45 -2.119 -1.965 -4.077 1.00 0.00 C ATOM 654 CD2 PHE A 45 -2.091 -4.304 -3.610 1.00 0.00 C ATOM 655 CE1 PHE A 45 -2.492 -2.227 -5.382 1.00 0.00 C ATOM 656 CE2 PHE A 45 -2.464 -4.572 -4.914 1.00 0.00 C ATOM 657 CZ PHE A 45 -2.664 -3.532 -5.801 1.00 0.00 C ATOM 0 H PHE A 45 0.051 -4.698 -1.152 1.00 0.00 H new ATOM 0 HA PHE A 45 0.442 -2.036 -2.351 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.921 -3.485 -1.110 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -1.955 -1.766 -1.449 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.985 -0.943 -3.755 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.935 -5.121 -2.921 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.649 -1.412 -6.073 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.599 -5.593 -5.239 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.954 -3.739 -6.820 1.00 0.00 H new ATOM 667 N PHE A 46 0.422 -0.659 -0.225 1.00 0.00 N ATOM 668 CA PHE A 46 0.722 0.091 0.988 1.00 0.00 C ATOM 669 C PHE A 46 -0.301 1.202 1.209 1.00 0.00 C ATOM 670 O PHE A 46 -0.416 2.122 0.400 1.00 0.00 O ATOM 671 CB PHE A 46 2.129 0.687 0.911 1.00 0.00 C ATOM 672 CG PHE A 46 3.220 -0.308 1.183 1.00 0.00 C ATOM 673 CD1 PHE A 46 3.404 -1.399 0.349 1.00 0.00 C ATOM 674 CD2 PHE A 46 4.061 -0.153 2.272 1.00 0.00 C ATOM 675 CE1 PHE A 46 4.407 -2.317 0.596 1.00 0.00 C ATOM 676 CE2 PHE A 46 5.066 -1.067 2.526 1.00 0.00 C ATOM 677 CZ PHE A 46 5.239 -2.151 1.686 1.00 0.00 C ATOM 0 H PHE A 46 0.299 -0.082 -1.057 1.00 0.00 H new ATOM 0 HA PHE A 46 0.672 -0.598 1.831 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.279 1.116 -0.080 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.208 1.505 1.628 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.756 -1.534 -0.504 1.00 0.00 H new ATOM 0 HD2 PHE A 46 3.930 0.693 2.931 1.00 0.00 H new ATOM 0 HE1 PHE A 46 4.540 -3.163 -0.062 1.00 0.00 H new ATOM 0 HE2 PHE A 46 5.715 -0.935 3.379 1.00 0.00 H new ATOM 0 HZ PHE A 46 6.023 -2.867 1.882 1.00 0.00 H new ATOM 687 N GLY A 47 -1.041 1.108 2.309 1.00 0.00 N ATOM 688 CA GLY A 47 -2.043 2.112 2.615 1.00 0.00 C ATOM 689 C GLY A 47 -1.454 3.323 3.310 1.00 0.00 C ATOM 690 O GLY A 47 -0.866 3.205 4.384 1.00 0.00 O ATOM 0 H GLY A 47 -0.965 0.355 2.993 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.531 2.427 1.693 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.813 1.672 3.248 1.00 0.00 H new ATOM 694 N VAL A 48 -1.611 4.490 2.695 1.00 0.00 N ATOM 695 CA VAL A 48 -1.088 5.729 3.259 1.00 0.00 C ATOM 696 C VAL A 48 -2.131 6.840 3.207 1.00 0.00 C ATOM 697 O VAL A 48 -2.723 7.102 2.160 1.00 0.00 O ATOM 698 CB VAL A 48 0.179 6.194 2.516 1.00 0.00 C ATOM 699 CG1 VAL A 48 0.822 7.368 3.237 1.00 0.00 C ATOM 700 CG2 VAL A 48 1.163 5.043 2.369 1.00 0.00 C ATOM 0 H VAL A 48 -2.097 4.604 1.805 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.834 5.521 4.298 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.108 6.526 1.518 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.715 7.682 2.697 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.116 8.197 3.284 1.00 0.00 H new ATOM 0 HG13 VAL A 48 1.096 7.068 4.248 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.052 5.389 1.842 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.446 4.678 3.356 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.697 4.236 1.803 1.00 0.00 H new ATOM 710 N GLU A 49 -2.351 7.492 4.345 1.00 0.00 N ATOM 711 CA GLU A 49 -3.323 8.577 4.430 1.00 0.00 C ATOM 712 C GLU A 49 -2.704 9.898 3.985 1.00 0.00 C ATOM 713 O GLU A 49 -1.714 10.353 4.556 1.00 0.00 O ATOM 714 CB GLU A 49 -3.853 8.704 5.859 1.00 0.00 C ATOM 715 CG GLU A 49 -4.924 9.770 6.018 1.00 0.00 C ATOM 716 CD GLU A 49 -4.750 10.586 7.284 1.00 0.00 C ATOM 717 OE1 GLU A 49 -4.276 10.023 8.294 1.00 0.00 O ATOM 718 OE2 GLU A 49 -5.090 11.788 7.267 1.00 0.00 O ATOM 0 H GLU A 49 -1.869 7.288 5.221 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.152 8.342 3.762 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.259 7.743 6.174 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.022 8.933 6.527 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.900 10.435 5.155 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.905 9.296 6.028 1.00 0.00 H new ATOM 725 N LEU A 50 -3.295 10.508 2.964 1.00 0.00 N ATOM 726 CA LEU A 50 -2.801 11.778 2.442 1.00 0.00 C ATOM 727 C LEU A 50 -2.827 12.857 3.520 1.00 0.00 C ATOM 728 O LEU A 50 -3.665 12.830 4.421 1.00 0.00 O ATOM 729 CB LEU A 50 -3.639 12.220 1.241 1.00 0.00 C ATOM 730 CG LEU A 50 -3.773 11.180 0.128 1.00 0.00 C ATOM 731 CD1 LEU A 50 -5.113 11.322 -0.578 1.00 0.00 C ATOM 732 CD2 LEU A 50 -2.629 11.312 -0.865 1.00 0.00 C ATOM 0 H LEU A 50 -4.117 10.144 2.481 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.769 11.634 2.123 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.636 12.486 1.591 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.197 13.124 0.822 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.726 10.188 0.577 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.190 10.574 -1.367 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.920 11.177 0.140 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.191 12.318 -1.014 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.741 10.564 -1.650 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.645 12.308 -1.308 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.681 11.159 -0.350 1.00 0.00 H new ATOM 744 N LEU A 51 -1.904 13.808 3.418 1.00 0.00 N ATOM 745 CA LEU A 51 -1.819 14.899 4.382 1.00 0.00 C ATOM 746 C LEU A 51 -2.539 16.139 3.864 1.00 0.00 C ATOM 747 O LEU A 51 -3.097 16.133 2.766 1.00 0.00 O ATOM 748 CB LEU A 51 -0.354 15.227 4.683 1.00 0.00 C ATOM 749 CG LEU A 51 0.184 14.641 5.992 1.00 0.00 C ATOM 750 CD1 LEU A 51 1.620 14.173 5.817 1.00 0.00 C ATOM 751 CD2 LEU A 51 0.088 15.665 7.112 1.00 0.00 C ATOM 0 H LEU A 51 -1.204 13.845 2.677 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.307 14.579 5.303 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.261 14.863 3.860 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.238 16.310 4.713 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.427 13.779 6.261 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.985 13.760 6.757 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.661 13.406 5.043 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.245 15.017 5.525 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.474 15.232 8.035 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.674 16.546 6.851 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.954 15.952 7.254 1.00 0.00 H new ATOM 763 N GLU A 52 -2.525 17.204 4.662 1.00 0.00 N ATOM 764 CA GLU A 52 -3.179 18.454 4.286 1.00 0.00 C ATOM 765 C GLU A 52 -2.718 18.924 2.909 1.00 0.00 C ATOM 766 O GLU A 52 -3.468 19.574 2.181 1.00 0.00 O ATOM 767 CB GLU A 52 -2.891 19.536 5.328 1.00 0.00 C ATOM 768 CG GLU A 52 -1.420 19.660 5.687 1.00 0.00 C ATOM 769 CD GLU A 52 -0.759 20.860 5.037 1.00 0.00 C ATOM 770 OE1 GLU A 52 -1.004 21.092 3.834 1.00 0.00 O ATOM 771 OE2 GLU A 52 0.004 21.566 5.729 1.00 0.00 O ATOM 0 H GLU A 52 -2.068 17.226 5.573 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.253 18.272 4.244 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.246 20.495 4.951 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.460 19.318 6.232 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.320 19.737 6.770 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.898 18.753 5.382 1.00 0.00 H new ATOM 778 N GLU A 53 -1.482 18.589 2.557 1.00 0.00 N ATOM 779 CA GLU A 53 -0.923 18.976 1.266 1.00 0.00 C ATOM 780 C GLU A 53 -1.710 18.343 0.123 1.00 0.00 C ATOM 781 O GLU A 53 -2.023 19.002 -0.869 1.00 0.00 O ATOM 782 CB GLU A 53 0.548 18.564 1.179 1.00 0.00 C ATOM 783 CG GLU A 53 1.212 18.956 -0.131 1.00 0.00 C ATOM 784 CD GLU A 53 2.676 18.562 -0.182 1.00 0.00 C ATOM 785 OE1 GLU A 53 3.465 19.100 0.623 1.00 0.00 O ATOM 786 OE2 GLU A 53 3.033 17.715 -1.028 1.00 0.00 O ATOM 0 H GLU A 53 -0.848 18.050 3.147 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.994 20.060 1.176 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.094 19.020 2.005 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.623 17.484 1.306 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.683 18.483 -0.958 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.124 20.033 -0.271 1.00 0.00 H new ATOM 793 N GLY A 54 -2.029 17.061 0.270 1.00 0.00 N ATOM 794 CA GLY A 54 -2.778 16.359 -0.756 1.00 0.00 C ATOM 795 C GLY A 54 -4.041 15.719 -0.215 1.00 0.00 C ATOM 796 O GLY A 54 -4.427 14.631 -0.642 1.00 0.00 O ATOM 0 H GLY A 54 -1.782 16.495 1.082 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.040 17.056 -1.552 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.146 15.590 -1.201 1.00 0.00 H new ATOM 800 N ARG A 55 -4.687 16.397 0.729 1.00 0.00 N ATOM 801 CA ARG A 55 -5.914 15.889 1.332 1.00 0.00 C ATOM 802 C ARG A 55 -7.095 16.051 0.381 1.00 0.00 C ATOM 803 O ARG A 55 -7.216 17.065 -0.308 1.00 0.00 O ATOM 804 CB ARG A 55 -6.197 16.615 2.650 1.00 0.00 C ATOM 805 CG ARG A 55 -6.555 15.680 3.794 1.00 0.00 C ATOM 806 CD ARG A 55 -5.995 16.179 5.117 1.00 0.00 C ATOM 807 NE ARG A 55 -6.877 15.863 6.238 1.00 0.00 N ATOM 808 CZ ARG A 55 -6.549 16.049 7.515 1.00 0.00 C ATOM 809 NH1 ARG A 55 -5.362 16.550 7.835 1.00 0.00 N ATOM 810 NH2 ARG A 55 -7.410 15.736 8.473 1.00 0.00 N ATOM 0 H ARG A 55 -4.381 17.299 1.093 1.00 0.00 H new ATOM 0 HA ARG A 55 -5.779 14.826 1.534 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.320 17.199 2.929 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -7.014 17.320 2.499 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -7.639 15.591 3.867 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.166 14.683 3.586 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -5.016 15.731 5.288 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -5.847 17.258 5.065 1.00 0.00 H new ATOM 0 HE ARG A 55 -7.798 15.477 6.030 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -4.697 16.794 7.101 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -5.115 16.691 8.815 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -8.324 15.353 8.232 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -7.159 15.879 9.451 1.00 0.00 H new ATOM 824 N GLY A 56 -7.966 15.047 0.349 1.00 0.00 N ATOM 825 CA GLY A 56 -9.126 15.099 -0.521 1.00 0.00 C ATOM 826 C GLY A 56 -8.864 14.472 -1.876 1.00 0.00 C ATOM 827 O GLY A 56 -9.455 14.875 -2.878 1.00 0.00 O ATOM 0 H GLY A 56 -7.889 14.199 0.910 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.959 14.585 -0.041 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.428 16.137 -0.657 1.00 0.00 H new ATOM 831 N GLN A 57 -7.974 13.486 -1.907 1.00 0.00 N ATOM 832 CA GLN A 57 -7.634 12.802 -3.150 1.00 0.00 C ATOM 833 C GLN A 57 -7.541 11.295 -2.933 1.00 0.00 C ATOM 834 O GLN A 57 -6.702 10.622 -3.533 1.00 0.00 O ATOM 835 CB GLN A 57 -6.310 13.333 -3.702 1.00 0.00 C ATOM 836 CG GLN A 57 -6.290 14.841 -3.886 1.00 0.00 C ATOM 837 CD GLN A 57 -6.929 15.278 -5.190 1.00 0.00 C ATOM 838 OE1 GLN A 57 -6.534 14.832 -6.268 1.00 0.00 O ATOM 839 NE2 GLN A 57 -7.923 16.154 -5.099 1.00 0.00 N ATOM 0 H GLN A 57 -7.475 13.142 -1.086 1.00 0.00 H new ATOM 0 HA GLN A 57 -8.426 12.998 -3.873 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -5.503 13.047 -3.027 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -6.108 12.855 -4.661 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.813 15.312 -3.054 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -5.259 15.193 -3.855 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -8.218 16.497 -4.185 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -8.391 16.483 -5.943 1.00 0.00 H new ATOM 848 N GLY A 58 -8.408 10.772 -2.073 1.00 0.00 N ATOM 849 CA GLY A 58 -8.407 9.348 -1.793 1.00 0.00 C ATOM 850 C GLY A 58 -9.567 8.625 -2.449 1.00 0.00 C ATOM 851 O GLY A 58 -10.675 9.156 -2.522 1.00 0.00 O ATOM 0 H GLY A 58 -9.111 11.308 -1.565 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.470 8.914 -2.140 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.450 9.193 -0.715 1.00 0.00 H new ATOM 855 N PHE A 59 -9.312 7.412 -2.928 1.00 0.00 N ATOM 856 CA PHE A 59 -10.344 6.617 -3.582 1.00 0.00 C ATOM 857 C PHE A 59 -10.818 5.487 -2.672 1.00 0.00 C ATOM 858 O PHE A 59 -12.019 5.253 -2.531 1.00 0.00 O ATOM 859 CB PHE A 59 -9.818 6.040 -4.898 1.00 0.00 C ATOM 860 CG PHE A 59 -8.444 5.442 -4.786 1.00 0.00 C ATOM 861 CD1 PHE A 59 -8.279 4.110 -4.441 1.00 0.00 C ATOM 862 CD2 PHE A 59 -7.318 6.213 -5.026 1.00 0.00 C ATOM 863 CE1 PHE A 59 -7.017 3.558 -4.338 1.00 0.00 C ATOM 864 CE2 PHE A 59 -6.052 5.666 -4.925 1.00 0.00 C ATOM 865 CZ PHE A 59 -5.901 4.338 -4.580 1.00 0.00 C ATOM 0 H PHE A 59 -8.400 6.958 -2.875 1.00 0.00 H new ATOM 0 HA PHE A 59 -11.191 7.270 -3.793 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -10.510 5.276 -5.252 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -9.802 6.829 -5.650 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -9.147 3.496 -4.250 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -7.430 7.253 -5.295 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -6.902 2.518 -4.069 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.182 6.277 -5.116 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.913 3.909 -4.499 1.00 0.00 H new ATOM 875 N THR A 60 -9.868 4.789 -2.059 1.00 0.00 N ATOM 876 CA THR A 60 -10.190 3.685 -1.163 1.00 0.00 C ATOM 877 C THR A 60 -10.972 4.177 0.050 1.00 0.00 C ATOM 878 O THR A 60 -11.957 3.562 0.459 1.00 0.00 O ATOM 879 CB THR A 60 -8.911 2.979 -0.708 1.00 0.00 C ATOM 880 OG1 THR A 60 -9.208 1.961 0.232 1.00 0.00 O ATOM 881 CG2 THR A 60 -7.904 3.912 -0.072 1.00 0.00 C ATOM 0 H THR A 60 -8.870 4.968 -2.166 1.00 0.00 H new ATOM 0 HA THR A 60 -10.812 2.977 -1.710 1.00 0.00 H new ATOM 0 HB THR A 60 -8.473 2.564 -1.616 1.00 0.00 H new ATOM 0 HG1 THR A 60 -10.179 1.893 0.345 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.022 3.346 0.227 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.616 4.680 -0.790 1.00 0.00 H new ATOM 0 HG23 THR A 60 -8.348 4.383 0.805 1.00 0.00 H new ATOM 889 N ASP A 61 -10.528 5.292 0.622 1.00 0.00 N ATOM 890 CA ASP A 61 -11.187 5.871 1.788 1.00 0.00 C ATOM 891 C ASP A 61 -11.237 4.870 2.939 1.00 0.00 C ATOM 892 O ASP A 61 -12.190 4.854 3.719 1.00 0.00 O ATOM 893 CB ASP A 61 -12.603 6.321 1.427 1.00 0.00 C ATOM 894 CG ASP A 61 -13.249 7.136 2.531 1.00 0.00 C ATOM 895 OD1 ASP A 61 -12.537 7.936 3.172 1.00 0.00 O ATOM 896 OD2 ASP A 61 -14.467 6.973 2.753 1.00 0.00 O ATOM 0 H ASP A 61 -9.714 5.813 0.297 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.608 6.737 2.109 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.571 6.913 0.513 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -13.218 5.445 1.218 1.00 0.00 H new ATOM 901 N GLY A 62 -10.206 4.037 3.040 1.00 0.00 N ATOM 902 CA GLY A 62 -10.154 3.047 4.099 1.00 0.00 C ATOM 903 C GLY A 62 -10.668 1.691 3.653 1.00 0.00 C ATOM 904 O GLY A 62 -10.297 0.663 4.219 1.00 0.00 O ATOM 0 H GLY A 62 -9.406 4.030 2.407 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.126 2.946 4.447 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.745 3.395 4.946 1.00 0.00 H new ATOM 908 N VAL A 63 -11.524 1.688 2.636 1.00 0.00 N ATOM 909 CA VAL A 63 -12.089 0.449 2.115 1.00 0.00 C ATOM 910 C VAL A 63 -11.590 0.170 0.700 1.00 0.00 C ATOM 911 O VAL A 63 -11.552 1.066 -0.143 1.00 0.00 O ATOM 912 CB VAL A 63 -13.630 0.495 2.110 1.00 0.00 C ATOM 913 CG1 VAL A 63 -14.132 1.617 1.213 1.00 0.00 C ATOM 914 CG2 VAL A 63 -14.205 -0.844 1.673 1.00 0.00 C ATOM 0 H VAL A 63 -11.841 2.530 2.156 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.761 -0.354 2.775 1.00 0.00 H new ATOM 0 HB VAL A 63 -13.969 0.696 3.126 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -15.222 1.632 1.224 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -13.753 2.572 1.578 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -13.782 1.453 0.194 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -15.294 -0.791 1.676 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -13.856 -1.079 0.667 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -13.878 -1.623 2.362 1.00 0.00 H new ATOM 924 N TYR A 64 -11.209 -1.077 0.449 1.00 0.00 N ATOM 925 CA TYR A 64 -10.714 -1.475 -0.864 1.00 0.00 C ATOM 926 C TYR A 64 -11.632 -2.514 -1.499 1.00 0.00 C ATOM 927 O TYR A 64 -11.700 -3.657 -1.045 1.00 0.00 O ATOM 928 CB TYR A 64 -9.294 -2.034 -0.749 1.00 0.00 C ATOM 929 CG TYR A 64 -8.553 -2.084 -2.066 1.00 0.00 C ATOM 930 CD1 TYR A 64 -8.979 -2.920 -3.092 1.00 0.00 C ATOM 931 CD2 TYR A 64 -7.430 -1.297 -2.284 1.00 0.00 C ATOM 932 CE1 TYR A 64 -8.304 -2.969 -4.298 1.00 0.00 C ATOM 933 CE2 TYR A 64 -6.751 -1.340 -3.487 1.00 0.00 C ATOM 934 CZ TYR A 64 -7.192 -2.178 -4.490 1.00 0.00 C ATOM 935 OH TYR A 64 -6.518 -2.224 -5.688 1.00 0.00 O ATOM 0 H TYR A 64 -11.233 -1.830 1.137 1.00 0.00 H new ATOM 0 HA TYR A 64 -10.699 -0.592 -1.502 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -8.728 -1.422 -0.046 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -9.341 -3.039 -0.330 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -9.850 -3.541 -2.945 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -7.081 -0.640 -1.501 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -8.647 -3.624 -5.085 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -5.880 -0.721 -3.641 1.00 0.00 H new ATOM 0 HH TYR A 64 -5.759 -1.605 -5.660 1.00 0.00 H new ATOM 945 N GLN A 65 -12.336 -2.110 -2.551 1.00 0.00 N ATOM 946 CA GLN A 65 -13.251 -3.007 -3.248 1.00 0.00 C ATOM 947 C GLN A 65 -14.343 -3.507 -2.307 1.00 0.00 C ATOM 948 O GLN A 65 -14.844 -4.622 -2.461 1.00 0.00 O ATOM 949 CB GLN A 65 -12.486 -4.192 -3.838 1.00 0.00 C ATOM 950 CG GLN A 65 -11.636 -3.828 -5.045 1.00 0.00 C ATOM 951 CD GLN A 65 -10.860 -5.011 -5.589 1.00 0.00 C ATOM 952 OE1 GLN A 65 -9.907 -5.483 -4.967 1.00 0.00 O ATOM 953 NE2 GLN A 65 -11.265 -5.499 -6.756 1.00 0.00 N ATOM 0 H GLN A 65 -12.291 -1.168 -2.940 1.00 0.00 H new ATOM 0 HA GLN A 65 -13.722 -2.450 -4.058 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -11.844 -4.619 -3.068 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -13.197 -4.966 -4.125 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -12.278 -3.427 -5.830 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -10.939 -3.037 -4.769 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -12.059 -5.077 -7.237 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -10.782 -6.296 -7.171 1.00 0.00 H new ATOM 962 N GLY A 66 -14.707 -2.678 -1.335 1.00 0.00 N ATOM 963 CA GLY A 66 -15.737 -3.055 -0.385 1.00 0.00 C ATOM 964 C GLY A 66 -15.165 -3.584 0.915 1.00 0.00 C ATOM 965 O GLY A 66 -15.804 -3.497 1.963 1.00 0.00 O ATOM 0 H GLY A 66 -14.307 -1.751 -1.188 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -16.367 -2.190 -0.175 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -16.378 -3.815 -0.832 1.00 0.00 H new ATOM 969 N LYS A 67 -13.957 -4.134 0.848 1.00 0.00 N ATOM 970 CA LYS A 67 -13.298 -4.679 2.030 1.00 0.00 C ATOM 971 C LYS A 67 -12.625 -3.575 2.837 1.00 0.00 C ATOM 972 O LYS A 67 -11.670 -2.949 2.377 1.00 0.00 O ATOM 973 CB LYS A 67 -12.266 -5.733 1.625 1.00 0.00 C ATOM 974 CG LYS A 67 -11.798 -6.604 2.781 1.00 0.00 C ATOM 975 CD LYS A 67 -12.473 -7.969 2.763 1.00 0.00 C ATOM 976 CE LYS A 67 -11.454 -9.095 2.691 1.00 0.00 C ATOM 977 NZ LYS A 67 -10.411 -8.968 3.747 1.00 0.00 N ATOM 0 H LYS A 67 -13.414 -4.214 -0.012 1.00 0.00 H new ATOM 0 HA LYS A 67 -14.059 -5.147 2.655 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.694 -6.370 0.851 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.403 -5.234 1.185 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.717 -6.731 2.727 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.013 -6.103 3.725 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -13.083 -8.086 3.659 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.147 -8.032 1.908 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.963 -10.053 2.797 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.979 -9.093 1.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.105 -9.915 4.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.596 -8.445 3.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.803 -8.455 4.562 1.00 0.00 H new ATOM 991 N GLN A 68 -13.127 -3.341 4.046 1.00 0.00 N ATOM 992 CA GLN A 68 -12.573 -2.313 4.919 1.00 0.00 C ATOM 993 C GLN A 68 -11.247 -2.768 5.518 1.00 0.00 C ATOM 994 O GLN A 68 -11.218 -3.511 6.498 1.00 0.00 O ATOM 995 CB GLN A 68 -13.562 -1.975 6.036 1.00 0.00 C ATOM 996 CG GLN A 68 -13.371 -0.583 6.615 1.00 0.00 C ATOM 997 CD GLN A 68 -13.935 0.503 5.720 1.00 0.00 C ATOM 998 OE1 GLN A 68 -15.010 0.349 5.140 1.00 0.00 O ATOM 999 NE2 GLN A 68 -13.210 1.610 5.604 1.00 0.00 N ATOM 0 H GLN A 68 -13.917 -3.850 4.443 1.00 0.00 H new ATOM 0 HA GLN A 68 -12.394 -1.420 4.320 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -14.578 -2.063 5.650 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -13.460 -2.709 6.835 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -13.853 -0.530 7.591 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.308 -0.402 6.774 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -12.325 1.694 6.103 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -13.539 2.376 5.016 1.00 0.00 H new ATOM 1008 N LEU A 69 -10.148 -2.316 4.920 1.00 0.00 N ATOM 1009 CA LEU A 69 -8.817 -2.679 5.393 1.00 0.00 C ATOM 1010 C LEU A 69 -8.420 -1.838 6.602 1.00 0.00 C ATOM 1011 O LEU A 69 -7.825 -2.344 7.554 1.00 0.00 O ATOM 1012 CB LEU A 69 -7.789 -2.500 4.274 1.00 0.00 C ATOM 1013 CG LEU A 69 -7.983 -3.419 3.066 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -7.171 -2.919 1.881 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -7.593 -4.847 3.416 1.00 0.00 C ATOM 0 H LEU A 69 -10.154 -1.699 4.108 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.839 -3.727 5.693 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.821 -1.465 3.933 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.794 -2.670 4.685 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.037 -3.408 2.790 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.321 -3.584 1.031 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.496 -1.913 1.616 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.114 -2.901 2.146 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.737 -5.487 2.546 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.546 -4.875 3.717 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.216 -5.204 4.236 1.00 0.00 H new ATOM 1027 N PHE A 70 -8.751 -0.551 6.559 1.00 0.00 N ATOM 1028 CA PHE A 70 -8.427 0.358 7.652 1.00 0.00 C ATOM 1029 C PHE A 70 -9.421 1.513 7.715 1.00 0.00 C ATOM 1030 O PHE A 70 -10.293 1.643 6.856 1.00 0.00 O ATOM 1031 CB PHE A 70 -7.004 0.900 7.488 1.00 0.00 C ATOM 1032 CG PHE A 70 -6.827 1.767 6.273 1.00 0.00 C ATOM 1033 CD1 PHE A 70 -7.025 1.252 5.002 1.00 0.00 C ATOM 1034 CD2 PHE A 70 -6.462 3.097 6.404 1.00 0.00 C ATOM 1035 CE1 PHE A 70 -6.863 2.048 3.883 1.00 0.00 C ATOM 1036 CE2 PHE A 70 -6.298 3.899 5.289 1.00 0.00 C ATOM 1037 CZ PHE A 70 -6.498 3.372 4.028 1.00 0.00 C ATOM 0 H PHE A 70 -9.243 -0.115 5.779 1.00 0.00 H new ATOM 0 HA PHE A 70 -8.490 -0.201 8.586 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.738 1.474 8.376 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.309 0.062 7.431 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -7.309 0.217 4.884 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.304 3.513 7.388 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -7.022 1.635 2.898 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -6.014 4.935 5.404 1.00 0.00 H new ATOM 0 HZ PHE A 70 -6.369 3.995 3.155 1.00 0.00 H new ATOM 1047 N GLN A 71 -9.283 2.350 8.739 1.00 0.00 N ATOM 1048 CA GLN A 71 -10.167 3.495 8.915 1.00 0.00 C ATOM 1049 C GLN A 71 -9.393 4.803 8.787 1.00 0.00 C ATOM 1050 O GLN A 71 -8.535 5.112 9.616 1.00 0.00 O ATOM 1051 CB GLN A 71 -10.857 3.428 10.279 1.00 0.00 C ATOM 1052 CG GLN A 71 -12.189 4.160 10.324 1.00 0.00 C ATOM 1053 CD GLN A 71 -12.343 5.018 11.564 1.00 0.00 C ATOM 1054 OE1 GLN A 71 -12.546 4.506 12.665 1.00 0.00 O ATOM 1055 NE2 GLN A 71 -12.248 6.331 11.391 1.00 0.00 N ATOM 0 H GLN A 71 -8.567 2.256 9.459 1.00 0.00 H new ATOM 0 HA GLN A 71 -10.924 3.463 8.131 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -11.017 2.383 10.545 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.194 3.851 11.034 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -12.284 4.788 9.438 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -13.000 3.433 10.287 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.079 6.712 10.460 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -12.344 6.959 12.189 1.00 0.00 H new ATOM 1064 N CYS A 72 -9.700 5.567 7.746 1.00 0.00 N ATOM 1065 CA CYS A 72 -9.032 6.842 7.509 1.00 0.00 C ATOM 1066 C CYS A 72 -10.046 7.949 7.241 1.00 0.00 C ATOM 1067 O CYS A 72 -11.254 7.711 7.242 1.00 0.00 O ATOM 1068 CB CYS A 72 -8.066 6.723 6.329 1.00 0.00 C ATOM 1069 SG CYS A 72 -8.815 6.048 4.829 1.00 0.00 S ATOM 0 H CYS A 72 -10.407 5.326 7.052 1.00 0.00 H new ATOM 0 HA CYS A 72 -8.470 7.100 8.407 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -7.658 7.709 6.107 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -7.229 6.089 6.621 1.00 0.00 H new ATOM 0 HG CYS A 72 -8.138 5.010 4.435 1.00 0.00 H new ATOM 1075 N ASP A 73 -9.547 9.158 7.011 1.00 0.00 N ATOM 1076 CA ASP A 73 -10.409 10.303 6.740 1.00 0.00 C ATOM 1077 C ASP A 73 -11.154 10.125 5.421 1.00 0.00 C ATOM 1078 O ASP A 73 -10.992 9.114 4.737 1.00 0.00 O ATOM 1079 CB ASP A 73 -9.584 11.591 6.703 1.00 0.00 C ATOM 1080 CG ASP A 73 -9.091 12.001 8.077 1.00 0.00 C ATOM 1081 OD1 ASP A 73 -7.991 11.557 8.469 1.00 0.00 O ATOM 1082 OD2 ASP A 73 -9.803 12.767 8.760 1.00 0.00 O ATOM 0 H ASP A 73 -8.550 9.371 7.007 1.00 0.00 H new ATOM 0 HA ASP A 73 -11.142 10.371 7.544 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.730 11.453 6.040 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.188 12.395 6.282 1.00 0.00 H new ATOM 1087 N GLU A 74 -11.973 11.112 5.072 1.00 0.00 N ATOM 1088 CA GLU A 74 -12.744 11.064 3.835 1.00 0.00 C ATOM 1089 C GLU A 74 -11.885 11.460 2.639 1.00 0.00 C ATOM 1090 O GLU A 74 -11.375 12.579 2.572 1.00 0.00 O ATOM 1091 CB GLU A 74 -13.960 11.988 3.933 1.00 0.00 C ATOM 1092 CG GLU A 74 -14.871 11.926 2.718 1.00 0.00 C ATOM 1093 CD GLU A 74 -16.209 11.280 3.022 1.00 0.00 C ATOM 1094 OE1 GLU A 74 -16.225 10.076 3.352 1.00 0.00 O ATOM 1095 OE2 GLU A 74 -17.239 11.980 2.933 1.00 0.00 O ATOM 0 H GLU A 74 -12.120 11.954 5.628 1.00 0.00 H new ATOM 0 HA GLU A 74 -13.084 10.039 3.689 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -14.535 11.725 4.821 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -13.617 13.014 4.067 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -15.037 12.935 2.341 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -14.374 11.367 1.925 1.00 0.00 H new ATOM 1102 N ASP A 75 -11.729 10.536 1.696 1.00 0.00 N ATOM 1103 CA ASP A 75 -10.932 10.788 0.502 1.00 0.00 C ATOM 1104 C ASP A 75 -9.490 11.128 0.868 1.00 0.00 C ATOM 1105 O ASP A 75 -8.936 12.122 0.399 1.00 0.00 O ATOM 1106 CB ASP A 75 -11.547 11.927 -0.314 1.00 0.00 C ATOM 1107 CG ASP A 75 -12.946 11.601 -0.800 1.00 0.00 C ATOM 1108 OD1 ASP A 75 -13.285 10.401 -0.871 1.00 0.00 O ATOM 1109 OD2 ASP A 75 -13.702 12.545 -1.110 1.00 0.00 O ATOM 0 H ASP A 75 -12.145 9.605 1.736 1.00 0.00 H new ATOM 0 HA ASP A 75 -10.928 9.879 -0.100 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -11.578 12.831 0.295 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -10.909 12.142 -1.171 1.00 0.00 H new ATOM 1114 N CYS A 76 -8.888 10.295 1.711 1.00 0.00 N ATOM 1115 CA CYS A 76 -7.511 10.506 2.141 1.00 0.00 C ATOM 1116 C CYS A 76 -6.686 9.234 1.975 1.00 0.00 C ATOM 1117 O CYS A 76 -5.563 9.271 1.471 1.00 0.00 O ATOM 1118 CB CYS A 76 -7.475 10.964 3.600 1.00 0.00 C ATOM 1119 SG CYS A 76 -7.913 12.702 3.840 1.00 0.00 S ATOM 0 H CYS A 76 -9.332 9.468 2.110 1.00 0.00 H new ATOM 0 HA CYS A 76 -7.076 11.283 1.512 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -8.159 10.345 4.181 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -6.475 10.794 3.998 1.00 0.00 H new ATOM 0 HG CYS A 76 -9.136 12.900 3.445 1.00 0.00 H new ATOM 1125 N GLY A 77 -7.250 8.108 2.402 1.00 0.00 N ATOM 1126 CA GLY A 77 -6.552 6.841 2.292 1.00 0.00 C ATOM 1127 C GLY A 77 -6.232 6.476 0.856 1.00 0.00 C ATOM 1128 O GLY A 77 -6.997 6.791 -0.057 1.00 0.00 O ATOM 0 H GLY A 77 -8.178 8.051 2.822 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.627 6.889 2.866 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -7.162 6.054 2.736 1.00 0.00 H new ATOM 1132 N VAL A 78 -5.100 5.809 0.655 1.00 0.00 N ATOM 1133 CA VAL A 78 -4.680 5.400 -0.679 1.00 0.00 C ATOM 1134 C VAL A 78 -3.704 4.229 -0.612 1.00 0.00 C ATOM 1135 O VAL A 78 -2.811 4.202 0.235 1.00 0.00 O ATOM 1136 CB VAL A 78 -4.018 6.563 -1.443 1.00 0.00 C ATOM 1137 CG1 VAL A 78 -5.049 7.622 -1.801 1.00 0.00 C ATOM 1138 CG2 VAL A 78 -2.887 7.164 -0.622 1.00 0.00 C ATOM 0 H VAL A 78 -4.457 5.540 1.400 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.579 5.092 -1.213 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.596 6.173 -2.369 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.563 8.435 -2.340 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.821 7.180 -2.430 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.503 8.011 -0.889 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.431 7.984 -1.177 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.282 7.540 0.322 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.136 6.399 -0.422 1.00 0.00 H new ATOM 1148 N PHE A 79 -3.881 3.266 -1.510 1.00 0.00 N ATOM 1149 CA PHE A 79 -3.015 2.093 -1.552 1.00 0.00 C ATOM 1150 C PHE A 79 -2.110 2.127 -2.781 1.00 0.00 C ATOM 1151 O PHE A 79 -2.581 2.293 -3.906 1.00 0.00 O ATOM 1152 CB PHE A 79 -3.853 0.813 -1.557 1.00 0.00 C ATOM 1153 CG PHE A 79 -4.165 0.294 -0.182 1.00 0.00 C ATOM 1154 CD1 PHE A 79 -3.161 -0.226 0.620 1.00 0.00 C ATOM 1155 CD2 PHE A 79 -5.460 0.327 0.307 1.00 0.00 C ATOM 1156 CE1 PHE A 79 -3.445 -0.703 1.885 1.00 0.00 C ATOM 1157 CE2 PHE A 79 -5.750 -0.149 1.572 1.00 0.00 C ATOM 1158 CZ PHE A 79 -4.741 -0.665 2.361 1.00 0.00 C ATOM 0 H PHE A 79 -4.615 3.274 -2.218 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.388 2.105 -0.661 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -4.787 1.002 -2.086 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -3.321 0.043 -2.115 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.146 -0.259 0.252 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -6.252 0.729 -0.307 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -2.654 -1.105 2.501 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -6.764 -0.117 1.943 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.965 -1.038 3.349 1.00 0.00 H new ATOM 1168 N VAL A 80 -0.810 1.971 -2.556 1.00 0.00 N ATOM 1169 CA VAL A 80 0.161 1.983 -3.642 1.00 0.00 C ATOM 1170 C VAL A 80 1.367 1.112 -3.310 1.00 0.00 C ATOM 1171 O VAL A 80 1.564 0.720 -2.159 1.00 0.00 O ATOM 1172 CB VAL A 80 0.645 3.414 -3.947 1.00 0.00 C ATOM 1173 CG1 VAL A 80 -0.498 4.263 -4.479 1.00 0.00 C ATOM 1174 CG2 VAL A 80 1.257 4.047 -2.706 1.00 0.00 C ATOM 0 H VAL A 80 -0.405 1.835 -1.630 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.343 1.582 -4.521 1.00 0.00 H new ATOM 0 HB VAL A 80 1.415 3.361 -4.717 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.137 5.270 -4.688 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.885 3.818 -5.396 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.293 4.310 -3.735 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.593 5.057 -2.941 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.511 4.088 -1.913 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.106 3.450 -2.374 1.00 0.00 H new ATOM 1184 N ALA A 81 2.170 0.809 -4.324 1.00 0.00 N ATOM 1185 CA ALA A 81 3.356 -0.017 -4.137 1.00 0.00 C ATOM 1186 C ALA A 81 4.471 0.771 -3.458 1.00 0.00 C ATOM 1187 O ALA A 81 4.499 2.001 -3.516 1.00 0.00 O ATOM 1188 CB ALA A 81 3.834 -0.566 -5.473 1.00 0.00 C ATOM 0 H ALA A 81 2.021 1.123 -5.283 1.00 0.00 H new ATOM 0 HA ALA A 81 3.089 -0.852 -3.489 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.720 -1.181 -5.317 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.046 -1.172 -5.920 1.00 0.00 H new ATOM 0 HB3 ALA A 81 4.079 0.261 -6.140 1.00 0.00 H new ATOM 1194 N LEU A 82 5.390 0.055 -2.814 1.00 0.00 N ATOM 1195 CA LEU A 82 6.509 0.686 -2.123 1.00 0.00 C ATOM 1196 C LEU A 82 7.206 1.697 -3.027 1.00 0.00 C ATOM 1197 O LEU A 82 7.534 2.805 -2.601 1.00 0.00 O ATOM 1198 CB LEU A 82 7.511 -0.372 -1.656 1.00 0.00 C ATOM 1199 CG LEU A 82 8.707 0.168 -0.872 1.00 0.00 C ATOM 1200 CD1 LEU A 82 8.346 0.349 0.593 1.00 0.00 C ATOM 1201 CD2 LEU A 82 9.903 -0.760 -1.020 1.00 0.00 C ATOM 0 H LEU A 82 5.381 -0.963 -2.757 1.00 0.00 H new ATOM 0 HA LEU A 82 6.115 1.212 -1.254 1.00 0.00 H new ATOM 0 HB2 LEU A 82 6.986 -1.097 -1.034 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.881 -0.909 -2.529 1.00 0.00 H new ATOM 0 HG LEU A 82 8.977 1.142 -1.280 1.00 0.00 H new ATOM 0 HD11 LEU A 82 9.209 0.734 1.136 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.519 1.054 0.680 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.050 -0.611 1.016 1.00 0.00 H new ATOM 0 HD21 LEU A 82 10.746 -0.360 -0.456 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.646 -1.748 -0.638 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.175 -0.837 -2.073 1.00 0.00 H new ATOM 1213 N ASP A 83 7.422 1.309 -4.280 1.00 0.00 N ATOM 1214 CA ASP A 83 8.073 2.182 -5.250 1.00 0.00 C ATOM 1215 C ASP A 83 7.311 3.495 -5.384 1.00 0.00 C ATOM 1216 O ASP A 83 7.897 4.539 -5.672 1.00 0.00 O ATOM 1217 CB ASP A 83 8.166 1.489 -6.610 1.00 0.00 C ATOM 1218 CG ASP A 83 8.929 2.313 -7.628 1.00 0.00 C ATOM 1219 OD1 ASP A 83 8.371 3.317 -8.118 1.00 0.00 O ATOM 1220 OD2 ASP A 83 10.085 1.954 -7.936 1.00 0.00 O ATOM 0 H ASP A 83 7.156 0.395 -4.647 1.00 0.00 H new ATOM 0 HA ASP A 83 9.081 2.398 -4.895 1.00 0.00 H new ATOM 0 HB2 ASP A 83 8.655 0.522 -6.489 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.161 1.294 -6.985 1.00 0.00 H new ATOM 1225 N LYS A 84 6.000 3.436 -5.168 1.00 0.00 N ATOM 1226 CA LYS A 84 5.157 4.621 -5.258 1.00 0.00 C ATOM 1227 C LYS A 84 5.322 5.499 -4.021 1.00 0.00 C ATOM 1228 O LYS A 84 5.101 6.708 -4.072 1.00 0.00 O ATOM 1229 CB LYS A 84 3.691 4.219 -5.422 1.00 0.00 C ATOM 1230 CG LYS A 84 3.427 3.368 -6.653 1.00 0.00 C ATOM 1231 CD LYS A 84 3.022 4.220 -7.843 1.00 0.00 C ATOM 1232 CE LYS A 84 2.043 3.487 -8.746 1.00 0.00 C ATOM 1233 NZ LYS A 84 2.228 3.851 -10.178 1.00 0.00 N ATOM 0 H LYS A 84 5.500 2.580 -4.930 1.00 0.00 H new ATOM 0 HA LYS A 84 5.468 5.193 -6.132 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.372 3.670 -4.536 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.080 5.120 -5.476 1.00 0.00 H new ATOM 0 HG2 LYS A 84 4.322 2.797 -6.901 1.00 0.00 H new ATOM 0 HG3 LYS A 84 2.639 2.647 -6.436 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.570 5.147 -7.491 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.909 4.495 -8.414 1.00 0.00 H new ATOM 0 HE2 LYS A 84 2.173 2.412 -8.625 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.023 3.721 -8.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.542 3.330 -10.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.079 4.873 -10.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.193 3.605 -10.477 1.00 0.00 H new ATOM 1247 N LEU A 85 5.712 4.881 -2.909 1.00 0.00 N ATOM 1248 CA LEU A 85 5.906 5.609 -1.659 1.00 0.00 C ATOM 1249 C LEU A 85 7.342 6.106 -1.536 1.00 0.00 C ATOM 1250 O LEU A 85 8.289 5.386 -1.854 1.00 0.00 O ATOM 1251 CB LEU A 85 5.560 4.716 -0.466 1.00 0.00 C ATOM 1252 CG LEU A 85 4.117 4.206 -0.436 1.00 0.00 C ATOM 1253 CD1 LEU A 85 3.939 3.175 0.668 1.00 0.00 C ATOM 1254 CD2 LEU A 85 3.148 5.364 -0.249 1.00 0.00 C ATOM 0 H LEU A 85 5.899 3.880 -2.848 1.00 0.00 H new ATOM 0 HA LEU A 85 5.241 6.472 -1.664 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.233 3.858 -0.466 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.752 5.271 0.452 1.00 0.00 H new ATOM 0 HG LEU A 85 3.900 3.727 -1.391 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.907 2.823 0.675 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.608 2.333 0.491 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.174 3.629 1.631 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.126 4.984 -0.230 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.364 5.871 0.691 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.258 6.067 -1.074 1.00 0.00 H new ATOM 1266 N GLU A 86 7.498 7.342 -1.074 1.00 0.00 N ATOM 1267 CA GLU A 86 8.819 7.937 -0.908 1.00 0.00 C ATOM 1268 C GLU A 86 9.147 8.132 0.567 1.00 0.00 C ATOM 1269 O GLU A 86 8.569 8.990 1.235 1.00 0.00 O ATOM 1270 CB GLU A 86 8.893 9.279 -1.641 1.00 0.00 C ATOM 1271 CG GLU A 86 10.306 9.682 -2.029 1.00 0.00 C ATOM 1272 CD GLU A 86 10.998 10.490 -0.949 1.00 0.00 C ATOM 1273 OE1 GLU A 86 10.293 11.154 -0.160 1.00 0.00 O ATOM 1274 OE2 GLU A 86 12.245 10.459 -0.891 1.00 0.00 O ATOM 0 H GLU A 86 6.725 7.952 -0.808 1.00 0.00 H new ATOM 0 HA GLU A 86 9.553 7.255 -1.337 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.279 9.227 -2.540 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.464 10.054 -1.006 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.891 8.786 -2.239 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.274 10.265 -2.950 1.00 0.00 H new ATOM 1281 N LEU A 87 10.079 7.330 1.073 1.00 0.00 N ATOM 1282 CA LEU A 87 10.486 7.414 2.470 1.00 0.00 C ATOM 1283 C LEU A 87 11.147 8.756 2.766 1.00 0.00 C ATOM 1284 O LEU A 87 12.074 9.170 2.070 1.00 0.00 O ATOM 1285 CB LEU A 87 11.445 6.273 2.813 1.00 0.00 C ATOM 1286 CG LEU A 87 11.726 6.088 4.304 1.00 0.00 C ATOM 1287 CD1 LEU A 87 10.476 5.616 5.030 1.00 0.00 C ATOM 1288 CD2 LEU A 87 12.868 5.105 4.512 1.00 0.00 C ATOM 0 H LEU A 87 10.567 6.614 0.535 1.00 0.00 H new ATOM 0 HA LEU A 87 9.592 7.327 3.088 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.035 5.343 2.418 1.00 0.00 H new ATOM 0 HB3 LEU A 87 12.391 6.447 2.300 1.00 0.00 H new ATOM 0 HG LEU A 87 12.020 7.051 4.721 1.00 0.00 H new ATOM 0 HD11 LEU A 87 10.697 5.490 6.090 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.684 6.355 4.909 1.00 0.00 H new ATOM 0 HD13 LEU A 87 10.150 4.664 4.612 1.00 0.00 H new ATOM 0 HD21 LEU A 87 13.055 4.985 5.579 1.00 0.00 H new ATOM 0 HD22 LEU A 87 12.601 4.141 4.080 1.00 0.00 H new ATOM 0 HD23 LEU A 87 13.767 5.484 4.027 1.00 0.00 H new ATOM 1300 N ILE A 88 10.665 9.432 3.804 1.00 0.00 N ATOM 1301 CA ILE A 88 11.209 10.727 4.194 1.00 0.00 C ATOM 1302 C ILE A 88 12.366 10.563 5.175 1.00 0.00 C ATOM 1303 O ILE A 88 12.317 9.719 6.071 1.00 0.00 O ATOM 1304 CB ILE A 88 10.131 11.622 4.834 1.00 0.00 C ATOM 1305 CG1 ILE A 88 8.875 11.649 3.961 1.00 0.00 C ATOM 1306 CG2 ILE A 88 10.668 13.030 5.044 1.00 0.00 C ATOM 1307 CD1 ILE A 88 7.646 12.152 4.687 1.00 0.00 C ATOM 0 H ILE A 88 9.898 9.104 4.391 1.00 0.00 H new ATOM 0 HA ILE A 88 11.571 11.204 3.284 1.00 0.00 H new ATOM 0 HB ILE A 88 9.865 11.207 5.806 1.00 0.00 H new ATOM 0 HG12 ILE A 88 9.059 12.282 3.093 1.00 0.00 H new ATOM 0 HG13 ILE A 88 8.680 10.644 3.587 1.00 0.00 H new ATOM 0 HG21 ILE A 88 9.895 13.651 5.497 1.00 0.00 H new ATOM 0 HG22 ILE A 88 11.536 12.994 5.702 1.00 0.00 H new ATOM 0 HG23 ILE A 88 10.958 13.456 4.083 1.00 0.00 H new ATOM 0 HD11 ILE A 88 6.794 12.144 4.008 1.00 0.00 H new ATOM 0 HD12 ILE A 88 7.437 11.506 5.539 1.00 0.00 H new ATOM 0 HD13 ILE A 88 7.821 13.169 5.038 1.00 0.00 H new