USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 611 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 11 THR OG1 : rot 180:sc= -0.528 USER MOD Set 1.2: A 14 GLN : amide:sc= -0.6 K(o=-1.1,f=-6.4!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 26:sc= 0.103 USER MOD Single : A 8 LYS NZ :NH3+ -145:sc= -0.766 (180deg=-2.72!) USER MOD Single : A 10 LYS NZ :NH3+ -164:sc= -0.497 (180deg=-1.37) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.0428 X(o=-0.043,f=-0.043) USER MOD Single : A 25 CYS SG : rot -98:sc= 1.26 USER MOD Single : A 26 GLN : amide:sc= -0.461 X(o=-0.46,f=-0.32) USER MOD Single : A 33 TYR OH : rot 123:sc= 0.108 USER MOD Single : A 34 GLN : amide:sc= 0.0739 K(o=0.074,f=-1.5!) USER MOD Single : A 35 LYS NZ :NH3+ -158:sc= -0.0794 (180deg=-0.415) USER MOD Single : A 38 GLN : amide:sc= -0.0781 K(o=-0.078,f=-1.6!) USER MOD Single : A 40 THR OG1 : rot -70:sc= 1.05 USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 54 THR OG1 : rot -174:sc= 1.2 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS : no HD1:sc= -1.51 X(o=-1.5,f=-1.1) USER MOD Single : A 62 GLN : amide:sc= -0.607 X(o=-0.61,f=-0.8) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.435 K(o=-0.44,f=-3.9!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.113 -17.474 7.792 1.00 0.00 N ATOM 2 CA GLY A 1 16.686 -18.188 8.917 1.00 0.00 C ATOM 3 C GLY A 1 16.654 -17.376 10.197 1.00 0.00 C ATOM 4 O GLY A 1 15.595 -16.910 10.618 1.00 0.00 O ATOM 0 H1 GLY A 1 16.159 -18.071 6.942 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.121 -17.240 7.998 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.648 -16.597 7.628 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.141 -19.120 9.068 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.717 -18.456 8.686 1.00 0.00 H new ATOM 8 N SER A 2 17.816 -17.207 10.818 1.00 0.00 N ATOM 9 CA SER A 2 17.916 -16.450 12.061 1.00 0.00 C ATOM 10 C SER A 2 17.273 -15.074 11.912 1.00 0.00 C ATOM 11 O SER A 2 16.547 -14.617 12.795 1.00 0.00 O ATOM 12 CB SER A 2 19.381 -16.299 12.475 1.00 0.00 C ATOM 13 OG SER A 2 19.494 -16.028 13.861 1.00 0.00 O ATOM 0 H SER A 2 18.702 -17.584 10.481 1.00 0.00 H new ATOM 0 HA SER A 2 17.382 -17.000 12.836 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.926 -17.212 12.234 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.842 -15.492 11.905 1.00 0.00 H new ATOM 0 HG SER A 2 20.440 -15.938 14.101 1.00 0.00 H new ATOM 19 N SER A 3 17.547 -14.419 10.788 1.00 0.00 N ATOM 20 CA SER A 3 16.999 -13.094 10.524 1.00 0.00 C ATOM 21 C SER A 3 16.861 -12.852 9.024 1.00 0.00 C ATOM 22 O SER A 3 17.833 -12.951 8.276 1.00 0.00 O ATOM 23 CB SER A 3 17.891 -12.017 11.146 1.00 0.00 C ATOM 24 OG SER A 3 17.217 -10.772 11.209 1.00 0.00 O ATOM 0 H SER A 3 18.145 -14.784 10.046 1.00 0.00 H new ATOM 0 HA SER A 3 16.008 -13.041 10.976 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.191 -12.323 12.148 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.803 -11.911 10.558 1.00 0.00 H new ATOM 0 HG SER A 3 17.807 -10.101 11.612 1.00 0.00 H new ATOM 30 N GLY A 4 15.645 -12.534 8.591 1.00 0.00 N ATOM 31 CA GLY A 4 15.401 -12.283 7.183 1.00 0.00 C ATOM 32 C GLY A 4 15.878 -10.912 6.747 1.00 0.00 C ATOM 33 O GLY A 4 15.096 -9.963 6.695 1.00 0.00 O ATOM 0 H GLY A 4 14.824 -12.446 9.190 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.905 -13.045 6.589 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.334 -12.374 6.980 1.00 0.00 H new ATOM 37 N SER A 5 17.166 -10.807 6.434 1.00 0.00 N ATOM 38 CA SER A 5 17.747 -9.540 6.005 1.00 0.00 C ATOM 39 C SER A 5 17.399 -9.247 4.549 1.00 0.00 C ATOM 40 O SER A 5 17.610 -10.082 3.669 1.00 0.00 O ATOM 41 CB SER A 5 19.267 -9.567 6.182 1.00 0.00 C ATOM 42 OG SER A 5 19.632 -9.213 7.505 1.00 0.00 O ATOM 0 H SER A 5 17.826 -11.584 6.469 1.00 0.00 H new ATOM 0 HA SER A 5 17.329 -8.748 6.626 1.00 0.00 H new ATOM 0 HB2 SER A 5 19.646 -10.563 5.951 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.731 -8.878 5.476 1.00 0.00 H new ATOM 0 HG SER A 5 20.608 -9.239 7.593 1.00 0.00 H new ATOM 48 N SER A 6 16.864 -8.056 4.303 1.00 0.00 N ATOM 49 CA SER A 6 16.482 -7.653 2.955 1.00 0.00 C ATOM 50 C SER A 6 17.683 -7.103 2.192 1.00 0.00 C ATOM 51 O SER A 6 18.410 -6.245 2.691 1.00 0.00 O ATOM 52 CB SER A 6 15.373 -6.600 3.010 1.00 0.00 C ATOM 53 OG SER A 6 15.796 -5.450 3.721 1.00 0.00 O ATOM 0 H SER A 6 16.685 -7.353 5.020 1.00 0.00 H new ATOM 0 HA SER A 6 16.112 -8.534 2.430 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.084 -6.319 1.997 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.490 -7.023 3.488 1.00 0.00 H new ATOM 0 HG SER A 6 16.772 -5.376 3.672 1.00 0.00 H new ATOM 59 N GLY A 7 17.884 -7.604 0.977 1.00 0.00 N ATOM 60 CA GLY A 7 18.998 -7.153 0.163 1.00 0.00 C ATOM 61 C GLY A 7 18.558 -6.667 -1.204 1.00 0.00 C ATOM 62 O GLY A 7 18.658 -5.480 -1.512 1.00 0.00 O ATOM 0 H GLY A 7 17.295 -8.314 0.542 1.00 0.00 H new ATOM 0 HA2 GLY A 7 19.520 -6.348 0.681 1.00 0.00 H new ATOM 0 HA3 GLY A 7 19.710 -7.969 0.043 1.00 0.00 H new ATOM 66 N LYS A 8 18.070 -7.588 -2.028 1.00 0.00 N ATOM 67 CA LYS A 8 17.613 -7.249 -3.371 1.00 0.00 C ATOM 68 C LYS A 8 16.417 -6.303 -3.316 1.00 0.00 C ATOM 69 O LYS A 8 15.267 -6.739 -3.348 1.00 0.00 O ATOM 70 CB LYS A 8 17.237 -8.518 -4.140 1.00 0.00 C ATOM 71 CG LYS A 8 18.437 -9.294 -4.656 1.00 0.00 C ATOM 72 CD LYS A 8 18.089 -10.750 -4.917 1.00 0.00 C ATOM 73 CE LYS A 8 17.396 -10.924 -6.260 1.00 0.00 C ATOM 74 NZ LYS A 8 16.034 -10.321 -6.264 1.00 0.00 N ATOM 0 H LYS A 8 17.981 -8.576 -1.789 1.00 0.00 H new ATOM 0 HA LYS A 8 18.429 -6.746 -3.889 1.00 0.00 H new ATOM 0 HB2 LYS A 8 16.648 -9.165 -3.490 1.00 0.00 H new ATOM 0 HB3 LYS A 8 16.600 -8.247 -4.982 1.00 0.00 H new ATOM 0 HG2 LYS A 8 18.800 -8.835 -5.576 1.00 0.00 H new ATOM 0 HG3 LYS A 8 19.248 -9.237 -3.930 1.00 0.00 H new ATOM 0 HD2 LYS A 8 18.997 -11.352 -4.894 1.00 0.00 H new ATOM 0 HD3 LYS A 8 17.442 -11.119 -4.121 1.00 0.00 H new ATOM 0 HE2 LYS A 8 17.999 -10.463 -7.042 1.00 0.00 H new ATOM 0 HE3 LYS A 8 17.324 -11.986 -6.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 15.400 -10.898 -6.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 15.667 -10.286 -5.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 16.082 -9.357 -6.650 1.00 0.00 H new ATOM 88 N ARG A 9 16.698 -5.007 -3.234 1.00 0.00 N ATOM 89 CA ARG A 9 15.646 -3.999 -3.175 1.00 0.00 C ATOM 90 C ARG A 9 14.625 -4.213 -4.289 1.00 0.00 C ATOM 91 O ARG A 9 14.929 -4.821 -5.316 1.00 0.00 O ATOM 92 CB ARG A 9 16.247 -2.596 -3.282 1.00 0.00 C ATOM 93 CG ARG A 9 17.079 -2.385 -4.536 1.00 0.00 C ATOM 94 CD ARG A 9 16.215 -1.958 -5.713 1.00 0.00 C ATOM 95 NE ARG A 9 16.968 -1.174 -6.688 1.00 0.00 N ATOM 96 CZ ARG A 9 17.345 0.084 -6.487 1.00 0.00 C ATOM 97 NH1 ARG A 9 17.041 0.696 -5.350 1.00 0.00 N ATOM 98 NH2 ARG A 9 18.027 0.731 -7.422 1.00 0.00 N ATOM 0 H ARG A 9 17.645 -4.630 -3.207 1.00 0.00 H new ATOM 0 HA ARG A 9 15.138 -4.097 -2.216 1.00 0.00 H new ATOM 0 HB2 ARG A 9 15.441 -1.862 -3.263 1.00 0.00 H new ATOM 0 HB3 ARG A 9 16.870 -2.409 -2.407 1.00 0.00 H new ATOM 0 HG2 ARG A 9 17.838 -1.626 -4.347 1.00 0.00 H new ATOM 0 HG3 ARG A 9 17.605 -3.307 -4.785 1.00 0.00 H new ATOM 0 HD2 ARG A 9 15.802 -2.842 -6.199 1.00 0.00 H new ATOM 0 HD3 ARG A 9 15.371 -1.371 -5.350 1.00 0.00 H new ATOM 0 HE ARG A 9 17.218 -1.617 -7.572 1.00 0.00 H new ATOM 0 HH11 ARG A 9 16.517 0.201 -4.628 1.00 0.00 H new ATOM 0 HH12 ARG A 9 17.331 1.662 -5.197 1.00 0.00 H new ATOM 0 HH21 ARG A 9 18.263 0.263 -8.297 1.00 0.00 H new ATOM 0 HH22 ARG A 9 18.316 1.697 -7.266 1.00 0.00 H new ATOM 112 N LYS A 10 13.413 -3.711 -4.078 1.00 0.00 N ATOM 113 CA LYS A 10 12.347 -3.846 -5.064 1.00 0.00 C ATOM 114 C LYS A 10 12.555 -2.881 -6.226 1.00 0.00 C ATOM 115 O LYS A 10 13.218 -1.853 -6.083 1.00 0.00 O ATOM 116 CB LYS A 10 10.986 -3.589 -4.411 1.00 0.00 C ATOM 117 CG LYS A 10 10.660 -4.554 -3.285 1.00 0.00 C ATOM 118 CD LYS A 10 9.407 -4.134 -2.536 1.00 0.00 C ATOM 119 CE LYS A 10 9.192 -4.979 -1.290 1.00 0.00 C ATOM 120 NZ LYS A 10 8.506 -6.263 -1.603 1.00 0.00 N ATOM 0 H LYS A 10 13.144 -3.207 -3.233 1.00 0.00 H new ATOM 0 HA LYS A 10 12.371 -4.864 -5.452 1.00 0.00 H new ATOM 0 HB2 LYS A 10 10.965 -2.571 -4.023 1.00 0.00 H new ATOM 0 HB3 LYS A 10 10.209 -3.656 -5.172 1.00 0.00 H new ATOM 0 HG2 LYS A 10 10.523 -5.556 -3.692 1.00 0.00 H new ATOM 0 HG3 LYS A 10 11.500 -4.603 -2.592 1.00 0.00 H new ATOM 0 HD2 LYS A 10 9.485 -3.084 -2.255 1.00 0.00 H new ATOM 0 HD3 LYS A 10 8.542 -4.225 -3.193 1.00 0.00 H new ATOM 0 HE2 LYS A 10 10.154 -5.186 -0.821 1.00 0.00 H new ATOM 0 HE3 LYS A 10 8.600 -4.417 -0.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 8.137 -6.682 -0.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 7.719 -6.085 -2.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 9.182 -6.920 -2.043 1.00 0.00 H new ATOM 134 N THR A 11 11.984 -3.217 -7.379 1.00 0.00 N ATOM 135 CA THR A 11 12.107 -2.381 -8.566 1.00 0.00 C ATOM 136 C THR A 11 10.940 -1.405 -8.674 1.00 0.00 C ATOM 137 O THR A 11 9.788 -1.770 -8.441 1.00 0.00 O ATOM 138 CB THR A 11 12.170 -3.231 -9.848 1.00 0.00 C ATOM 139 OG1 THR A 11 10.926 -3.913 -10.046 1.00 0.00 O ATOM 140 CG2 THR A 11 13.302 -4.244 -9.771 1.00 0.00 C ATOM 0 H THR A 11 11.431 -4.063 -7.515 1.00 0.00 H new ATOM 0 HA THR A 11 13.037 -1.822 -8.464 1.00 0.00 H new ATOM 0 HB THR A 11 12.357 -2.564 -10.690 1.00 0.00 H new ATOM 0 HG1 THR A 11 10.974 -4.450 -10.864 1.00 0.00 H new ATOM 0 HG21 THR A 11 13.326 -4.833 -10.688 1.00 0.00 H new ATOM 0 HG22 THR A 11 14.251 -3.721 -9.650 1.00 0.00 H new ATOM 0 HG23 THR A 11 13.141 -4.905 -8.920 1.00 0.00 H new ATOM 148 N LYS A 12 11.246 -0.162 -9.029 1.00 0.00 N ATOM 149 CA LYS A 12 10.223 0.868 -9.171 1.00 0.00 C ATOM 150 C LYS A 12 8.921 0.272 -9.697 1.00 0.00 C ATOM 151 O LYS A 12 7.834 0.670 -9.280 1.00 0.00 O ATOM 152 CB LYS A 12 10.709 1.972 -10.113 1.00 0.00 C ATOM 153 CG LYS A 12 9.632 2.980 -10.474 1.00 0.00 C ATOM 154 CD LYS A 12 9.858 3.566 -11.857 1.00 0.00 C ATOM 155 CE LYS A 12 8.836 4.646 -12.179 1.00 0.00 C ATOM 156 NZ LYS A 12 8.612 4.778 -13.645 1.00 0.00 N ATOM 0 H LYS A 12 12.195 0.157 -9.224 1.00 0.00 H new ATOM 0 HA LYS A 12 10.034 1.296 -8.187 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.543 2.496 -9.646 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.090 1.517 -11.027 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.655 2.499 -10.437 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.620 3.782 -9.736 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.863 3.985 -11.916 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.799 2.774 -12.603 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.892 4.411 -11.687 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.177 5.600 -11.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.909 5.524 -13.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.507 5.027 -14.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.263 3.875 -14.025 1.00 0.00 H new ATOM 170 N GLU A 13 9.040 -0.684 -10.613 1.00 0.00 N ATOM 171 CA GLU A 13 7.872 -1.333 -11.194 1.00 0.00 C ATOM 172 C GLU A 13 7.096 -2.108 -10.133 1.00 0.00 C ATOM 173 O GLU A 13 5.919 -1.839 -9.891 1.00 0.00 O ATOM 174 CB GLU A 13 8.293 -2.276 -12.323 1.00 0.00 C ATOM 175 CG GLU A 13 8.391 -1.598 -13.679 1.00 0.00 C ATOM 176 CD GLU A 13 8.959 -2.510 -14.749 1.00 0.00 C ATOM 177 OE1 GLU A 13 10.200 -2.574 -14.876 1.00 0.00 O ATOM 178 OE2 GLU A 13 8.164 -3.160 -15.459 1.00 0.00 O ATOM 0 H GLU A 13 9.933 -1.026 -10.968 1.00 0.00 H new ATOM 0 HA GLU A 13 7.223 -0.558 -11.601 1.00 0.00 H new ATOM 0 HB2 GLU A 13 9.259 -2.716 -12.076 1.00 0.00 H new ATOM 0 HB3 GLU A 13 7.577 -3.095 -12.387 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.401 -1.260 -13.984 1.00 0.00 H new ATOM 0 HG3 GLU A 13 9.019 -0.711 -13.593 1.00 0.00 H new ATOM 185 N GLN A 14 7.763 -3.070 -9.505 1.00 0.00 N ATOM 186 CA GLN A 14 7.136 -3.885 -8.471 1.00 0.00 C ATOM 187 C GLN A 14 6.514 -3.007 -7.389 1.00 0.00 C ATOM 188 O GLN A 14 5.354 -3.189 -7.019 1.00 0.00 O ATOM 189 CB GLN A 14 8.161 -4.834 -7.848 1.00 0.00 C ATOM 190 CG GLN A 14 8.775 -5.805 -8.843 1.00 0.00 C ATOM 191 CD GLN A 14 9.987 -6.525 -8.284 1.00 0.00 C ATOM 192 OE1 GLN A 14 10.959 -5.895 -7.866 1.00 0.00 O ATOM 193 NE2 GLN A 14 9.935 -7.851 -8.275 1.00 0.00 N ATOM 0 H GLN A 14 8.738 -3.305 -9.694 1.00 0.00 H new ATOM 0 HA GLN A 14 6.344 -4.472 -8.937 1.00 0.00 H new ATOM 0 HB2 GLN A 14 8.956 -4.246 -7.389 1.00 0.00 H new ATOM 0 HB3 GLN A 14 7.681 -5.400 -7.049 1.00 0.00 H new ATOM 0 HG2 GLN A 14 8.025 -6.539 -9.138 1.00 0.00 H new ATOM 0 HG3 GLN A 14 9.063 -5.263 -9.744 1.00 0.00 H new ATOM 0 HE21 GLN A 14 9.109 -8.331 -8.632 1.00 0.00 H new ATOM 0 HE22 GLN A 14 10.721 -8.390 -7.911 1.00 0.00 H new ATOM 202 N LEU A 15 7.293 -2.056 -6.886 1.00 0.00 N ATOM 203 CA LEU A 15 6.819 -1.150 -5.846 1.00 0.00 C ATOM 204 C LEU A 15 5.567 -0.407 -6.301 1.00 0.00 C ATOM 205 O LEU A 15 4.649 -0.179 -5.514 1.00 0.00 O ATOM 206 CB LEU A 15 7.915 -0.148 -5.477 1.00 0.00 C ATOM 207 CG LEU A 15 8.919 -0.611 -4.421 1.00 0.00 C ATOM 208 CD1 LEU A 15 9.878 0.515 -4.067 1.00 0.00 C ATOM 209 CD2 LEU A 15 8.195 -1.107 -3.178 1.00 0.00 C ATOM 0 H LEU A 15 8.255 -1.892 -7.181 1.00 0.00 H new ATOM 0 HA LEU A 15 6.568 -1.744 -4.967 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.464 0.110 -6.383 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.439 0.766 -5.121 1.00 0.00 H new ATOM 0 HG LEU A 15 9.497 -1.437 -4.835 1.00 0.00 H new ATOM 0 HD11 LEU A 15 10.585 0.167 -3.314 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.421 0.824 -4.960 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.316 1.362 -3.673 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.925 -1.433 -2.437 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.591 -0.300 -2.762 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.549 -1.944 -3.443 1.00 0.00 H new ATOM 221 N ALA A 16 5.537 -0.033 -7.576 1.00 0.00 N ATOM 222 CA ALA A 16 4.396 0.680 -8.136 1.00 0.00 C ATOM 223 C ALA A 16 3.095 -0.071 -7.872 1.00 0.00 C ATOM 224 O ALA A 16 2.079 0.531 -7.524 1.00 0.00 O ATOM 225 CB ALA A 16 4.590 0.895 -9.630 1.00 0.00 C ATOM 0 H ALA A 16 6.290 -0.212 -8.240 1.00 0.00 H new ATOM 0 HA ALA A 16 4.330 1.651 -7.646 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.730 1.429 -10.035 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.494 1.481 -9.799 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.685 -0.070 -10.127 1.00 0.00 H new ATOM 231 N ILE A 17 3.134 -1.389 -8.040 1.00 0.00 N ATOM 232 CA ILE A 17 1.958 -2.221 -7.820 1.00 0.00 C ATOM 233 C ILE A 17 1.550 -2.218 -6.350 1.00 0.00 C ATOM 234 O ILE A 17 0.368 -2.326 -6.022 1.00 0.00 O ATOM 235 CB ILE A 17 2.204 -3.673 -8.270 1.00 0.00 C ATOM 236 CG1 ILE A 17 2.346 -3.742 -9.792 1.00 0.00 C ATOM 237 CG2 ILE A 17 1.072 -4.573 -7.797 1.00 0.00 C ATOM 238 CD1 ILE A 17 3.207 -4.891 -10.267 1.00 0.00 C ATOM 0 H ILE A 17 3.967 -1.903 -8.328 1.00 0.00 H new ATOM 0 HA ILE A 17 1.153 -1.795 -8.419 1.00 0.00 H new ATOM 0 HB ILE A 17 3.133 -4.024 -7.821 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.355 -3.833 -10.237 1.00 0.00 H new ATOM 0 HG13 ILE A 17 2.773 -2.806 -10.152 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.260 -5.596 -8.123 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.014 -4.543 -6.709 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.130 -4.225 -8.220 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.263 -4.878 -11.355 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.209 -4.791 -9.851 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.770 -5.834 -9.938 1.00 0.00 H new ATOM 250 N LEU A 18 2.536 -2.092 -5.469 1.00 0.00 N ATOM 251 CA LEU A 18 2.280 -2.072 -4.033 1.00 0.00 C ATOM 252 C LEU A 18 1.701 -0.729 -3.601 1.00 0.00 C ATOM 253 O LEU A 18 0.622 -0.667 -3.010 1.00 0.00 O ATOM 254 CB LEU A 18 3.571 -2.356 -3.261 1.00 0.00 C ATOM 255 CG LEU A 18 3.860 -3.825 -2.954 1.00 0.00 C ATOM 256 CD1 LEU A 18 5.283 -3.994 -2.444 1.00 0.00 C ATOM 257 CD2 LEU A 18 2.861 -4.365 -1.940 1.00 0.00 C ATOM 0 H LEU A 18 3.520 -2.002 -5.723 1.00 0.00 H new ATOM 0 HA LEU A 18 1.550 -2.850 -3.808 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.408 -1.953 -3.832 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.535 -1.809 -2.319 1.00 0.00 H new ATOM 0 HG LEU A 18 3.756 -4.396 -3.877 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.470 -5.046 -2.231 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.985 -3.647 -3.202 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.415 -3.410 -1.533 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.082 -5.412 -1.734 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.933 -3.790 -1.017 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.852 -4.280 -2.343 1.00 0.00 H new ATOM 269 N LYS A 19 2.423 0.345 -3.901 1.00 0.00 N ATOM 270 CA LYS A 19 1.980 1.688 -3.548 1.00 0.00 C ATOM 271 C LYS A 19 0.473 1.833 -3.740 1.00 0.00 C ATOM 272 O LYS A 19 -0.212 2.434 -2.914 1.00 0.00 O ATOM 273 CB LYS A 19 2.715 2.729 -4.396 1.00 0.00 C ATOM 274 CG LYS A 19 4.189 2.861 -4.054 1.00 0.00 C ATOM 275 CD LYS A 19 4.799 4.101 -4.687 1.00 0.00 C ATOM 276 CE LYS A 19 6.285 4.210 -4.379 1.00 0.00 C ATOM 277 NZ LYS A 19 6.901 5.396 -5.035 1.00 0.00 N ATOM 0 H LYS A 19 3.318 0.311 -4.388 1.00 0.00 H new ATOM 0 HA LYS A 19 2.212 1.855 -2.496 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.617 2.463 -5.448 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.232 3.698 -4.266 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.310 2.907 -2.972 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.724 1.975 -4.397 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.651 4.070 -5.767 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.284 4.989 -4.320 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.429 4.276 -3.301 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.793 3.305 -4.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.914 5.435 -4.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.786 5.321 -6.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.434 6.261 -4.697 1.00 0.00 H new ATOM 291 N SER A 20 -0.035 1.276 -4.834 1.00 0.00 N ATOM 292 CA SER A 20 -1.460 1.345 -5.135 1.00 0.00 C ATOM 293 C SER A 20 -2.268 0.532 -4.128 1.00 0.00 C ATOM 294 O SER A 20 -3.328 0.962 -3.673 1.00 0.00 O ATOM 295 CB SER A 20 -1.729 0.834 -6.552 1.00 0.00 C ATOM 296 OG SER A 20 -3.107 0.918 -6.872 1.00 0.00 O ATOM 0 H SER A 20 0.519 0.772 -5.527 1.00 0.00 H new ATOM 0 HA SER A 20 -1.770 2.388 -5.067 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.150 1.417 -7.268 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.395 -0.200 -6.639 1.00 0.00 H new ATOM 0 HG SER A 20 -3.252 0.587 -7.783 1.00 0.00 H new ATOM 302 N PHE A 21 -1.759 -0.647 -3.785 1.00 0.00 N ATOM 303 CA PHE A 21 -2.433 -1.522 -2.832 1.00 0.00 C ATOM 304 C PHE A 21 -2.522 -0.864 -1.458 1.00 0.00 C ATOM 305 O PHE A 21 -3.602 -0.755 -0.878 1.00 0.00 O ATOM 306 CB PHE A 21 -1.695 -2.858 -2.724 1.00 0.00 C ATOM 307 CG PHE A 21 -2.578 -3.999 -2.307 1.00 0.00 C ATOM 308 CD1 PHE A 21 -2.963 -4.147 -0.984 1.00 0.00 C ATOM 309 CD2 PHE A 21 -3.022 -4.924 -3.238 1.00 0.00 C ATOM 310 CE1 PHE A 21 -3.776 -5.195 -0.598 1.00 0.00 C ATOM 311 CE2 PHE A 21 -3.836 -5.974 -2.857 1.00 0.00 C ATOM 312 CZ PHE A 21 -4.212 -6.111 -1.535 1.00 0.00 C ATOM 0 H PHE A 21 -0.883 -1.018 -4.152 1.00 0.00 H new ATOM 0 HA PHE A 21 -3.445 -1.702 -3.195 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -1.242 -3.093 -3.687 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -0.881 -2.757 -2.006 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.624 -3.435 -0.246 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.729 -4.823 -4.273 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.070 -5.298 0.436 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -4.178 -6.687 -3.593 1.00 0.00 H new ATOM 0 HZ PHE A 21 -4.845 -6.933 -1.235 1.00 0.00 H new ATOM 322 N PHE A 22 -1.377 -0.428 -0.942 1.00 0.00 N ATOM 323 CA PHE A 22 -1.324 0.217 0.364 1.00 0.00 C ATOM 324 C PHE A 22 -2.432 1.258 0.502 1.00 0.00 C ATOM 325 O PHE A 22 -3.210 1.230 1.456 1.00 0.00 O ATOM 326 CB PHE A 22 0.040 0.877 0.576 1.00 0.00 C ATOM 327 CG PHE A 22 0.256 1.371 1.978 1.00 0.00 C ATOM 328 CD1 PHE A 22 0.214 0.495 3.050 1.00 0.00 C ATOM 329 CD2 PHE A 22 0.502 2.712 2.223 1.00 0.00 C ATOM 330 CE1 PHE A 22 0.411 0.947 4.341 1.00 0.00 C ATOM 331 CE2 PHE A 22 0.700 3.171 3.512 1.00 0.00 C ATOM 332 CZ PHE A 22 0.656 2.287 4.572 1.00 0.00 C ATOM 0 H PHE A 22 -0.474 -0.510 -1.409 1.00 0.00 H new ATOM 0 HA PHE A 22 -1.472 -0.549 1.126 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.824 0.161 0.327 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.141 1.714 -0.115 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.025 -0.554 2.875 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.540 3.407 1.397 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.373 0.254 5.168 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.889 4.219 3.690 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.813 2.642 5.580 1.00 0.00 H new ATOM 342 N LEU A 23 -2.495 2.175 -0.457 1.00 0.00 N ATOM 343 CA LEU A 23 -3.507 3.226 -0.444 1.00 0.00 C ATOM 344 C LEU A 23 -4.901 2.638 -0.256 1.00 0.00 C ATOM 345 O LEU A 23 -5.664 3.086 0.600 1.00 0.00 O ATOM 346 CB LEU A 23 -3.451 4.031 -1.743 1.00 0.00 C ATOM 347 CG LEU A 23 -2.085 4.607 -2.118 1.00 0.00 C ATOM 348 CD1 LEU A 23 -1.941 4.700 -3.629 1.00 0.00 C ATOM 349 CD2 LEU A 23 -1.888 5.973 -1.476 1.00 0.00 C ATOM 0 H LEU A 23 -1.858 2.212 -1.253 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.297 3.888 0.396 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.789 3.391 -2.558 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.162 4.854 -1.668 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.313 3.936 -1.741 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.963 5.112 -3.877 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.037 3.706 -4.066 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.720 5.349 -4.029 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.911 6.368 -1.754 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.666 6.653 -1.822 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.946 5.877 -0.392 1.00 0.00 H new ATOM 361 N GLN A 24 -5.227 1.631 -1.060 1.00 0.00 N ATOM 362 CA GLN A 24 -6.529 0.981 -0.981 1.00 0.00 C ATOM 363 C GLN A 24 -6.723 0.313 0.376 1.00 0.00 C ATOM 364 O GLN A 24 -7.836 0.261 0.900 1.00 0.00 O ATOM 365 CB GLN A 24 -6.674 -0.055 -2.097 1.00 0.00 C ATOM 366 CG GLN A 24 -6.659 0.548 -3.493 1.00 0.00 C ATOM 367 CD GLN A 24 -7.891 1.383 -3.781 1.00 0.00 C ATOM 368 OE1 GLN A 24 -9.013 0.875 -3.782 1.00 0.00 O ATOM 369 NE2 GLN A 24 -7.689 2.672 -4.027 1.00 0.00 N ATOM 0 H GLN A 24 -4.607 1.248 -1.774 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.296 1.746 -1.102 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.865 -0.781 -2.015 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.607 -0.601 -1.956 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.770 1.168 -3.607 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.587 -0.252 -4.230 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -6.742 3.051 -4.016 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.481 3.283 -4.227 1.00 0.00 H new ATOM 378 N CYS A 25 -5.633 -0.196 0.940 1.00 0.00 N ATOM 379 CA CYS A 25 -5.683 -0.862 2.237 1.00 0.00 C ATOM 380 C CYS A 25 -4.309 -0.864 2.901 1.00 0.00 C ATOM 381 O CYS A 25 -3.345 -1.394 2.350 1.00 0.00 O ATOM 382 CB CYS A 25 -6.188 -2.296 2.078 1.00 0.00 C ATOM 383 SG CYS A 25 -7.084 -2.927 3.516 1.00 0.00 S ATOM 0 H CYS A 25 -4.704 -0.160 0.520 1.00 0.00 H new ATOM 0 HA CYS A 25 -6.374 -0.310 2.875 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -6.841 -2.345 1.206 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -5.338 -2.949 1.878 1.00 0.00 H new ATOM 0 HG CYS A 25 -6.284 -3.648 4.244 1.00 0.00 H new ATOM 389 N GLN A 26 -4.229 -0.266 4.085 1.00 0.00 N ATOM 390 CA GLN A 26 -2.973 -0.197 4.822 1.00 0.00 C ATOM 391 C GLN A 26 -2.509 -1.589 5.238 1.00 0.00 C ATOM 392 O GLN A 26 -1.310 -1.860 5.307 1.00 0.00 O ATOM 393 CB GLN A 26 -3.130 0.691 6.057 1.00 0.00 C ATOM 394 CG GLN A 26 -3.189 2.176 5.735 1.00 0.00 C ATOM 395 CD GLN A 26 -4.555 2.612 5.244 1.00 0.00 C ATOM 396 OE1 GLN A 26 -5.453 2.894 6.039 1.00 0.00 O ATOM 397 NE2 GLN A 26 -4.721 2.671 3.928 1.00 0.00 N ATOM 0 H GLN A 26 -5.019 0.177 4.554 1.00 0.00 H new ATOM 0 HA GLN A 26 -2.219 0.236 4.165 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.039 0.406 6.586 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.296 0.507 6.735 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -2.928 2.748 6.625 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -2.443 2.409 4.976 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -3.950 2.429 3.305 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -5.619 2.959 3.540 1.00 0.00 H new ATOM 406 N TRP A 27 -3.466 -2.468 5.515 1.00 0.00 N ATOM 407 CA TRP A 27 -3.154 -3.832 5.925 1.00 0.00 C ATOM 408 C TRP A 27 -3.742 -4.842 4.945 1.00 0.00 C ATOM 409 O TRP A 27 -4.892 -4.717 4.526 1.00 0.00 O ATOM 410 CB TRP A 27 -3.690 -4.098 7.333 1.00 0.00 C ATOM 411 CG TRP A 27 -3.344 -3.019 8.313 1.00 0.00 C ATOM 412 CD1 TRP A 27 -3.828 -1.742 8.331 1.00 0.00 C ATOM 413 CD2 TRP A 27 -2.439 -3.122 9.418 1.00 0.00 C ATOM 414 NE1 TRP A 27 -3.278 -1.045 9.379 1.00 0.00 N ATOM 415 CE2 TRP A 27 -2.423 -1.869 10.062 1.00 0.00 C ATOM 416 CE3 TRP A 27 -1.642 -4.151 9.926 1.00 0.00 C ATOM 417 CZ2 TRP A 27 -1.640 -1.621 11.186 1.00 0.00 C ATOM 418 CZ3 TRP A 27 -0.865 -3.902 11.042 1.00 0.00 C ATOM 419 CH2 TRP A 27 -0.869 -2.646 11.663 1.00 0.00 C ATOM 0 H TRP A 27 -4.463 -2.260 5.463 1.00 0.00 H new ATOM 0 HA TRP A 27 -2.070 -3.945 5.929 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -4.774 -4.204 7.288 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -3.292 -5.047 7.692 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -4.539 -1.339 7.625 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -3.474 -0.071 9.611 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -1.633 -5.123 9.455 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -1.641 -0.653 11.665 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -0.244 -4.690 11.442 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -0.252 -2.484 12.534 1.00 0.00 H new ATOM 430 N ALA A 28 -2.945 -5.843 4.585 1.00 0.00 N ATOM 431 CA ALA A 28 -3.387 -6.876 3.656 1.00 0.00 C ATOM 432 C ALA A 28 -3.433 -8.241 4.334 1.00 0.00 C ATOM 433 O ALA A 28 -2.746 -8.474 5.329 1.00 0.00 O ATOM 434 CB ALA A 28 -2.474 -6.919 2.440 1.00 0.00 C ATOM 0 H ALA A 28 -1.990 -5.960 4.923 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.397 -6.627 3.329 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.816 -7.695 1.755 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.496 -5.954 1.934 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.455 -7.139 2.758 1.00 0.00 H new ATOM 440 N ARG A 29 -4.247 -9.139 3.790 1.00 0.00 N ATOM 441 CA ARG A 29 -4.384 -10.481 4.344 1.00 0.00 C ATOM 442 C ARG A 29 -3.709 -11.512 3.445 1.00 0.00 C ATOM 443 O ARG A 29 -3.333 -11.211 2.312 1.00 0.00 O ATOM 444 CB ARG A 29 -5.862 -10.834 4.523 1.00 0.00 C ATOM 445 CG ARG A 29 -6.535 -10.079 5.658 1.00 0.00 C ATOM 446 CD ARG A 29 -6.427 -10.836 6.972 1.00 0.00 C ATOM 447 NE ARG A 29 -6.396 -9.935 8.121 1.00 0.00 N ATOM 448 CZ ARG A 29 -7.465 -9.294 8.581 1.00 0.00 C ATOM 449 NH1 ARG A 29 -8.642 -9.453 7.991 1.00 0.00 N ATOM 450 NH2 ARG A 29 -7.357 -8.491 9.632 1.00 0.00 N ATOM 0 H ARG A 29 -4.822 -8.962 2.966 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.894 -10.497 5.317 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.392 -10.624 3.594 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.952 -11.905 4.707 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.077 -9.096 5.765 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.585 -9.916 5.416 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.272 -11.518 7.068 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.524 -11.447 6.966 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.505 -9.790 8.596 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.728 -10.069 7.182 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.461 -8.960 8.346 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.453 -8.366 10.087 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -8.178 -7.999 9.985 1.00 0.00 H new ATOM 464 N ARG A 30 -3.559 -12.729 3.958 1.00 0.00 N ATOM 465 CA ARG A 30 -2.927 -13.804 3.201 1.00 0.00 C ATOM 466 C ARG A 30 -3.620 -14.001 1.856 1.00 0.00 C ATOM 467 O ARG A 30 -2.978 -14.333 0.860 1.00 0.00 O ATOM 468 CB ARG A 30 -2.963 -15.107 4.001 1.00 0.00 C ATOM 469 CG ARG A 30 -2.225 -16.254 3.329 1.00 0.00 C ATOM 470 CD ARG A 30 -1.763 -17.289 4.343 1.00 0.00 C ATOM 471 NE ARG A 30 -1.251 -18.496 3.699 1.00 0.00 N ATOM 472 CZ ARG A 30 -2.026 -19.396 3.104 1.00 0.00 C ATOM 473 NH1 ARG A 30 -3.341 -19.225 3.071 1.00 0.00 N ATOM 474 NH2 ARG A 30 -1.487 -20.469 2.540 1.00 0.00 N ATOM 0 H ARG A 30 -3.866 -12.995 4.894 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.889 -13.526 3.018 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.527 -14.932 4.985 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.001 -15.398 4.160 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.877 -16.728 2.595 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -1.364 -15.865 2.786 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -0.986 -16.857 4.973 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.594 -17.552 4.997 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.244 -18.656 3.707 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -3.759 -18.401 3.503 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -3.934 -19.917 2.614 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.476 -20.604 2.563 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -2.083 -21.159 2.084 1.00 0.00 H new ATOM 488 N GLU A 31 -4.933 -13.796 1.836 1.00 0.00 N ATOM 489 CA GLU A 31 -5.712 -13.953 0.613 1.00 0.00 C ATOM 490 C GLU A 31 -5.305 -12.914 -0.428 1.00 0.00 C ATOM 491 O GLU A 31 -5.431 -13.143 -1.631 1.00 0.00 O ATOM 492 CB GLU A 31 -7.207 -13.831 0.915 1.00 0.00 C ATOM 493 CG GLU A 31 -7.603 -12.483 1.492 1.00 0.00 C ATOM 494 CD GLU A 31 -9.012 -12.479 2.052 1.00 0.00 C ATOM 495 OE1 GLU A 31 -9.954 -12.789 1.293 1.00 0.00 O ATOM 496 OE2 GLU A 31 -9.173 -12.167 3.251 1.00 0.00 O ATOM 0 H GLU A 31 -5.480 -13.521 2.652 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.511 -14.945 0.209 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.770 -14.004 -0.002 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.493 -14.615 1.616 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.902 -12.210 2.281 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.522 -11.722 0.716 1.00 0.00 H new ATOM 503 N ASP A 32 -4.819 -11.772 0.044 1.00 0.00 N ATOM 504 CA ASP A 32 -4.393 -10.697 -0.845 1.00 0.00 C ATOM 505 C ASP A 32 -2.917 -10.839 -1.202 1.00 0.00 C ATOM 506 O ASP A 32 -2.527 -10.658 -2.355 1.00 0.00 O ATOM 507 CB ASP A 32 -4.644 -9.337 -0.191 1.00 0.00 C ATOM 508 CG ASP A 32 -6.037 -8.807 -0.472 1.00 0.00 C ATOM 509 OD1 ASP A 32 -6.373 -8.622 -1.661 1.00 0.00 O ATOM 510 OD2 ASP A 32 -6.791 -8.579 0.496 1.00 0.00 O ATOM 0 H ASP A 32 -4.710 -11.566 1.037 1.00 0.00 H new ATOM 0 HA ASP A 32 -4.978 -10.764 -1.763 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.502 -9.423 0.886 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.906 -8.621 -0.553 1.00 0.00 H new ATOM 515 N TYR A 33 -2.101 -11.163 -0.204 1.00 0.00 N ATOM 516 CA TYR A 33 -0.667 -11.326 -0.412 1.00 0.00 C ATOM 517 C TYR A 33 -0.389 -12.316 -1.540 1.00 0.00 C ATOM 518 O TYR A 33 0.427 -12.053 -2.422 1.00 0.00 O ATOM 519 CB TYR A 33 0.005 -11.801 0.876 1.00 0.00 C ATOM 520 CG TYR A 33 0.066 -10.742 1.954 1.00 0.00 C ATOM 521 CD1 TYR A 33 0.442 -9.439 1.654 1.00 0.00 C ATOM 522 CD2 TYR A 33 -0.252 -11.045 3.272 1.00 0.00 C ATOM 523 CE1 TYR A 33 0.500 -8.468 2.635 1.00 0.00 C ATOM 524 CE2 TYR A 33 -0.199 -10.081 4.260 1.00 0.00 C ATOM 525 CZ TYR A 33 0.178 -8.794 3.936 1.00 0.00 C ATOM 526 OH TYR A 33 0.234 -7.830 4.917 1.00 0.00 O ATOM 0 H TYR A 33 -2.408 -11.318 0.756 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.254 -10.357 -0.693 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.535 -12.667 1.259 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.018 -12.133 0.647 1.00 0.00 H new ATOM 0 HD1 TYR A 33 0.693 -9.180 0.636 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.546 -12.052 3.529 1.00 0.00 H new ATOM 0 HE1 TYR A 33 0.796 -7.460 2.385 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.451 -10.333 5.279 1.00 0.00 H new ATOM 0 HH TYR A 33 -0.640 -7.758 5.355 1.00 0.00 H new ATOM 536 N GLN A 34 -1.076 -13.453 -1.502 1.00 0.00 N ATOM 537 CA GLN A 34 -0.903 -14.483 -2.519 1.00 0.00 C ATOM 538 C GLN A 34 -1.026 -13.891 -3.919 1.00 0.00 C ATOM 539 O GLN A 34 -0.476 -14.426 -4.882 1.00 0.00 O ATOM 540 CB GLN A 34 -1.937 -15.595 -2.331 1.00 0.00 C ATOM 541 CG GLN A 34 -3.367 -15.143 -2.578 1.00 0.00 C ATOM 542 CD GLN A 34 -4.308 -16.303 -2.841 1.00 0.00 C ATOM 543 OE1 GLN A 34 -3.898 -17.347 -3.348 1.00 0.00 O ATOM 544 NE2 GLN A 34 -5.578 -16.126 -2.496 1.00 0.00 N ATOM 0 H GLN A 34 -1.757 -13.684 -0.779 1.00 0.00 H new ATOM 0 HA GLN A 34 0.097 -14.903 -2.408 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.702 -16.416 -3.008 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -1.858 -15.986 -1.316 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -3.721 -14.582 -1.713 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -3.387 -14.463 -3.430 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -5.875 -15.244 -2.078 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -6.257 -16.872 -2.649 1.00 0.00 H new ATOM 553 N LYS A 35 -1.751 -12.782 -4.026 1.00 0.00 N ATOM 554 CA LYS A 35 -1.946 -12.115 -5.308 1.00 0.00 C ATOM 555 C LYS A 35 -0.776 -11.188 -5.622 1.00 0.00 C ATOM 556 O LYS A 35 -0.265 -11.174 -6.743 1.00 0.00 O ATOM 557 CB LYS A 35 -3.253 -11.320 -5.299 1.00 0.00 C ATOM 558 CG LYS A 35 -3.575 -10.663 -6.630 1.00 0.00 C ATOM 559 CD LYS A 35 -4.351 -9.371 -6.441 1.00 0.00 C ATOM 560 CE LYS A 35 -5.828 -9.638 -6.191 1.00 0.00 C ATOM 561 NZ LYS A 35 -6.495 -10.225 -7.386 1.00 0.00 N ATOM 0 H LYS A 35 -2.213 -12.326 -3.239 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.999 -12.880 -6.083 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.071 -11.986 -5.025 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.195 -10.551 -4.528 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.650 -10.457 -7.168 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.156 -11.351 -7.245 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.934 -8.814 -5.602 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.238 -8.745 -7.326 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.936 -10.316 -5.345 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.325 -8.707 -5.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.519 -10.053 -7.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.115 -9.784 -8.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.317 -11.249 -7.415 1.00 0.00 H new ATOM 575 N LEU A 36 -0.357 -10.415 -4.627 1.00 0.00 N ATOM 576 CA LEU A 36 0.754 -9.485 -4.797 1.00 0.00 C ATOM 577 C LEU A 36 1.982 -10.199 -5.353 1.00 0.00 C ATOM 578 O LEU A 36 2.656 -9.689 -6.247 1.00 0.00 O ATOM 579 CB LEU A 36 1.098 -8.820 -3.462 1.00 0.00 C ATOM 580 CG LEU A 36 0.063 -7.834 -2.918 1.00 0.00 C ATOM 581 CD1 LEU A 36 0.250 -7.636 -1.422 1.00 0.00 C ATOM 582 CD2 LEU A 36 0.157 -6.504 -3.650 1.00 0.00 C ATOM 0 H LEU A 36 -0.769 -10.413 -3.694 1.00 0.00 H new ATOM 0 HA LEU A 36 0.448 -8.719 -5.509 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.252 -9.602 -2.718 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.047 -8.295 -3.574 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.931 -8.249 -3.087 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.495 -6.931 -1.052 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.131 -8.591 -0.911 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.248 -7.243 -1.229 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.587 -5.815 -3.250 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.153 -6.083 -3.513 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.028 -6.660 -4.713 1.00 0.00 H new ATOM 594 N GLU A 37 2.265 -11.383 -4.818 1.00 0.00 N ATOM 595 CA GLU A 37 3.411 -12.167 -5.262 1.00 0.00 C ATOM 596 C GLU A 37 3.234 -12.617 -6.709 1.00 0.00 C ATOM 597 O GLU A 37 4.151 -13.172 -7.314 1.00 0.00 O ATOM 598 CB GLU A 37 3.605 -13.385 -4.357 1.00 0.00 C ATOM 599 CG GLU A 37 4.735 -14.299 -4.801 1.00 0.00 C ATOM 600 CD GLU A 37 4.281 -15.349 -5.795 1.00 0.00 C ATOM 601 OE1 GLU A 37 3.202 -15.941 -5.583 1.00 0.00 O ATOM 602 OE2 GLU A 37 5.005 -15.579 -6.787 1.00 0.00 O ATOM 0 H GLU A 37 1.717 -11.820 -4.077 1.00 0.00 H new ATOM 0 HA GLU A 37 4.297 -11.535 -5.202 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.803 -13.044 -3.341 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.677 -13.956 -4.327 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.527 -13.699 -5.249 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.163 -14.792 -3.928 1.00 0.00 H new ATOM 609 N GLN A 38 2.047 -12.376 -7.257 1.00 0.00 N ATOM 610 CA GLN A 38 1.749 -12.758 -8.632 1.00 0.00 C ATOM 611 C GLN A 38 1.848 -11.555 -9.565 1.00 0.00 C ATOM 612 O GLN A 38 2.193 -11.695 -10.739 1.00 0.00 O ATOM 613 CB GLN A 38 0.351 -13.373 -8.721 1.00 0.00 C ATOM 614 CG GLN A 38 0.055 -14.019 -10.065 1.00 0.00 C ATOM 615 CD GLN A 38 -1.084 -15.017 -9.994 1.00 0.00 C ATOM 616 OE1 GLN A 38 -1.327 -15.627 -8.953 1.00 0.00 O ATOM 617 NE2 GLN A 38 -1.792 -15.187 -11.105 1.00 0.00 N ATOM 0 H GLN A 38 1.277 -11.918 -6.770 1.00 0.00 H new ATOM 0 HA GLN A 38 2.485 -13.499 -8.944 1.00 0.00 H new ATOM 0 HB2 GLN A 38 0.242 -14.121 -7.936 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -0.391 -12.598 -8.529 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -0.191 -13.243 -10.790 1.00 0.00 H new ATOM 0 HG3 GLN A 38 0.952 -14.522 -10.428 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.556 -14.660 -11.946 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.572 -15.844 -11.117 1.00 0.00 H new ATOM 626 N ILE A 39 1.544 -10.375 -9.036 1.00 0.00 N ATOM 627 CA ILE A 39 1.600 -9.149 -9.821 1.00 0.00 C ATOM 628 C ILE A 39 2.984 -8.512 -9.748 1.00 0.00 C ATOM 629 O ILE A 39 3.523 -8.054 -10.756 1.00 0.00 O ATOM 630 CB ILE A 39 0.551 -8.126 -9.344 1.00 0.00 C ATOM 631 CG1 ILE A 39 0.276 -8.304 -7.850 1.00 0.00 C ATOM 632 CG2 ILE A 39 -0.733 -8.272 -10.146 1.00 0.00 C ATOM 633 CD1 ILE A 39 -0.492 -7.155 -7.236 1.00 0.00 C ATOM 0 H ILE A 39 1.256 -10.242 -8.066 1.00 0.00 H new ATOM 0 HA ILE A 39 1.383 -9.425 -10.853 1.00 0.00 H new ATOM 0 HB ILE A 39 0.944 -7.122 -9.504 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.284 -9.227 -7.699 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.225 -8.418 -7.325 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.464 -7.543 -9.798 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.524 -8.100 -11.202 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.132 -9.278 -10.014 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.651 -7.349 -6.175 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.076 -6.233 -7.355 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.456 -7.054 -7.735 1.00 0.00 H new ATOM 645 N THR A 40 3.556 -8.488 -8.548 1.00 0.00 N ATOM 646 CA THR A 40 4.877 -7.908 -8.343 1.00 0.00 C ATOM 647 C THR A 40 5.972 -8.948 -8.551 1.00 0.00 C ATOM 648 O THR A 40 7.104 -8.612 -8.895 1.00 0.00 O ATOM 649 CB THR A 40 5.015 -7.310 -6.930 1.00 0.00 C ATOM 650 OG1 THR A 40 4.642 -8.283 -5.948 1.00 0.00 O ATOM 651 CG2 THR A 40 4.146 -6.071 -6.780 1.00 0.00 C ATOM 0 H THR A 40 3.125 -8.864 -7.703 1.00 0.00 H new ATOM 0 HA THR A 40 4.990 -7.112 -9.079 1.00 0.00 H new ATOM 0 HB THR A 40 6.056 -7.024 -6.780 1.00 0.00 H new ATOM 0 HG1 THR A 40 3.674 -8.430 -5.985 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.260 -5.666 -5.774 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.452 -5.321 -7.510 1.00 0.00 H new ATOM 0 HG23 THR A 40 3.102 -6.336 -6.948 1.00 0.00 H new ATOM 659 N GLY A 41 5.627 -10.215 -8.340 1.00 0.00 N ATOM 660 CA GLY A 41 6.592 -11.285 -8.511 1.00 0.00 C ATOM 661 C GLY A 41 7.573 -11.370 -7.358 1.00 0.00 C ATOM 662 O GLY A 41 8.646 -11.960 -7.489 1.00 0.00 O ATOM 0 H GLY A 41 4.696 -10.519 -8.054 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.065 -12.234 -8.606 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.140 -11.131 -9.440 1.00 0.00 H new ATOM 666 N LEU A 42 7.206 -10.779 -6.227 1.00 0.00 N ATOM 667 CA LEU A 42 8.062 -10.789 -5.046 1.00 0.00 C ATOM 668 C LEU A 42 7.497 -11.712 -3.971 1.00 0.00 C ATOM 669 O LEU A 42 6.285 -11.815 -3.780 1.00 0.00 O ATOM 670 CB LEU A 42 8.213 -9.372 -4.489 1.00 0.00 C ATOM 671 CG LEU A 42 8.977 -8.382 -5.370 1.00 0.00 C ATOM 672 CD1 LEU A 42 8.497 -6.962 -5.117 1.00 0.00 C ATOM 673 CD2 LEU A 42 10.474 -8.494 -5.122 1.00 0.00 C ATOM 0 H LEU A 42 6.321 -10.287 -6.102 1.00 0.00 H new ATOM 0 HA LEU A 42 9.042 -11.163 -5.342 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.218 -8.969 -4.303 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.718 -9.434 -3.525 1.00 0.00 H new ATOM 0 HG LEU A 42 8.783 -8.628 -6.414 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.052 -6.272 -5.752 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.434 -6.891 -5.346 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.661 -6.703 -4.071 1.00 0.00 H new ATOM 0 HD21 LEU A 42 11.002 -7.783 -5.757 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.687 -8.274 -4.076 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.807 -9.505 -5.355 1.00 0.00 H new ATOM 685 N PRO A 43 8.395 -12.399 -3.249 1.00 0.00 N ATOM 686 CA PRO A 43 8.010 -13.324 -2.179 1.00 0.00 C ATOM 687 C PRO A 43 7.011 -12.703 -1.208 1.00 0.00 C ATOM 688 O PRO A 43 7.036 -11.496 -0.966 1.00 0.00 O ATOM 689 CB PRO A 43 9.334 -13.618 -1.470 1.00 0.00 C ATOM 690 CG PRO A 43 10.379 -13.384 -2.506 1.00 0.00 C ATOM 691 CD PRO A 43 9.856 -12.326 -3.422 1.00 0.00 C ATOM 0 HA PRO A 43 7.513 -14.213 -2.568 1.00 0.00 H new ATOM 0 HB2 PRO A 43 9.476 -12.964 -0.610 1.00 0.00 H new ATOM 0 HB3 PRO A 43 9.366 -14.643 -1.100 1.00 0.00 H new ATOM 0 HG2 PRO A 43 11.315 -13.067 -2.045 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.589 -14.301 -3.056 1.00 0.00 H new ATOM 0 HD2 PRO A 43 10.241 -11.341 -3.157 1.00 0.00 H new ATOM 0 HD3 PRO A 43 10.146 -12.514 -4.456 1.00 0.00 H new ATOM 699 N ARG A 44 6.136 -13.535 -0.654 1.00 0.00 N ATOM 700 CA ARG A 44 5.128 -13.067 0.290 1.00 0.00 C ATOM 701 C ARG A 44 5.781 -12.364 1.477 1.00 0.00 C ATOM 702 O ARG A 44 5.343 -11.302 1.919 1.00 0.00 O ATOM 703 CB ARG A 44 4.277 -14.239 0.783 1.00 0.00 C ATOM 704 CG ARG A 44 4.134 -15.358 -0.235 1.00 0.00 C ATOM 705 CD ARG A 44 2.809 -16.087 -0.079 1.00 0.00 C ATOM 706 NE ARG A 44 2.481 -16.885 -1.258 1.00 0.00 N ATOM 707 CZ ARG A 44 2.926 -18.120 -1.456 1.00 0.00 C ATOM 708 NH1 ARG A 44 3.714 -18.696 -0.559 1.00 0.00 N ATOM 709 NH2 ARG A 44 2.584 -18.782 -2.554 1.00 0.00 N ATOM 0 H ARG A 44 6.104 -14.537 -0.842 1.00 0.00 H new ATOM 0 HA ARG A 44 4.486 -12.353 -0.226 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.721 -14.642 1.693 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.286 -13.871 1.048 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.208 -14.947 -1.242 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.955 -16.065 -0.118 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.853 -16.735 0.797 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.015 -15.362 0.100 1.00 0.00 H new ATOM 0 HE ARG A 44 1.877 -16.471 -1.968 1.00 0.00 H new ATOM 0 HH11 ARG A 44 3.980 -18.190 0.286 1.00 0.00 H new ATOM 0 HH12 ARG A 44 4.054 -19.645 -0.714 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.979 -18.342 -3.247 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.927 -19.731 -2.705 1.00 0.00 H new ATOM 723 N PRO A 45 6.854 -12.970 2.006 1.00 0.00 N ATOM 724 CA PRO A 45 7.591 -12.420 3.149 1.00 0.00 C ATOM 725 C PRO A 45 8.241 -11.078 2.828 1.00 0.00 C ATOM 726 O PRO A 45 8.542 -10.294 3.727 1.00 0.00 O ATOM 727 CB PRO A 45 8.660 -13.480 3.425 1.00 0.00 C ATOM 728 CG PRO A 45 8.160 -14.708 2.746 1.00 0.00 C ATOM 729 CD PRO A 45 7.432 -14.238 1.531 1.00 0.00 C ATOM 0 HA PRO A 45 6.938 -12.223 3.999 1.00 0.00 H new ATOM 0 HB2 PRO A 45 9.630 -13.176 3.030 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.788 -13.644 4.495 1.00 0.00 H new ATOM 0 HG2 PRO A 45 8.984 -15.368 2.476 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.499 -15.275 3.402 1.00 0.00 H new ATOM 0 HD2 PRO A 45 8.101 -14.091 0.683 1.00 0.00 H new ATOM 0 HD3 PRO A 45 6.665 -14.945 1.213 1.00 0.00 H new ATOM 737 N GLU A 46 8.454 -10.822 1.541 1.00 0.00 N ATOM 738 CA GLU A 46 9.068 -9.574 1.103 1.00 0.00 C ATOM 739 C GLU A 46 8.029 -8.461 1.002 1.00 0.00 C ATOM 740 O GLU A 46 8.321 -7.298 1.283 1.00 0.00 O ATOM 741 CB GLU A 46 9.758 -9.767 -0.249 1.00 0.00 C ATOM 742 CG GLU A 46 10.963 -8.864 -0.452 1.00 0.00 C ATOM 743 CD GLU A 46 11.999 -9.472 -1.377 1.00 0.00 C ATOM 744 OE1 GLU A 46 11.778 -9.460 -2.606 1.00 0.00 O ATOM 745 OE2 GLU A 46 13.031 -9.961 -0.871 1.00 0.00 O ATOM 0 H GLU A 46 8.211 -11.461 0.784 1.00 0.00 H new ATOM 0 HA GLU A 46 9.812 -9.285 1.845 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.074 -10.806 -0.341 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.037 -9.581 -1.045 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.632 -7.909 -0.861 1.00 0.00 H new ATOM 0 HG3 GLU A 46 11.422 -8.655 0.514 1.00 0.00 H new ATOM 752 N ILE A 47 6.817 -8.827 0.599 1.00 0.00 N ATOM 753 CA ILE A 47 5.735 -7.860 0.462 1.00 0.00 C ATOM 754 C ILE A 47 5.083 -7.569 1.810 1.00 0.00 C ATOM 755 O ILE A 47 4.829 -6.414 2.151 1.00 0.00 O ATOM 756 CB ILE A 47 4.657 -8.357 -0.520 1.00 0.00 C ATOM 757 CG1 ILE A 47 5.308 -8.889 -1.798 1.00 0.00 C ATOM 758 CG2 ILE A 47 3.678 -7.238 -0.843 1.00 0.00 C ATOM 759 CD1 ILE A 47 4.336 -9.585 -2.726 1.00 0.00 C ATOM 0 H ILE A 47 6.560 -9.785 0.362 1.00 0.00 H new ATOM 0 HA ILE A 47 6.178 -6.944 0.070 1.00 0.00 H new ATOM 0 HB ILE A 47 4.105 -9.171 -0.050 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.776 -8.061 -2.330 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.103 -9.585 -1.529 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.923 -7.605 -1.538 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.195 -6.902 0.074 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.215 -6.405 -1.297 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.866 -9.936 -3.611 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.886 -10.434 -2.211 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.554 -8.886 -3.025 1.00 0.00 H new ATOM 771 N ILE A 48 4.817 -8.624 2.572 1.00 0.00 N ATOM 772 CA ILE A 48 4.198 -8.482 3.884 1.00 0.00 C ATOM 773 C ILE A 48 4.955 -7.474 4.742 1.00 0.00 C ATOM 774 O ILE A 48 4.368 -6.530 5.271 1.00 0.00 O ATOM 775 CB ILE A 48 4.138 -9.829 4.628 1.00 0.00 C ATOM 776 CG1 ILE A 48 3.225 -10.806 3.884 1.00 0.00 C ATOM 777 CG2 ILE A 48 3.654 -9.625 6.055 1.00 0.00 C ATOM 778 CD1 ILE A 48 3.498 -12.257 4.213 1.00 0.00 C ATOM 0 H ILE A 48 5.020 -9.587 2.304 1.00 0.00 H new ATOM 0 HA ILE A 48 3.182 -8.124 3.716 1.00 0.00 H new ATOM 0 HB ILE A 48 5.141 -10.253 4.663 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.187 -10.576 4.125 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.344 -10.656 2.811 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.617 -10.586 6.568 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.340 -8.960 6.580 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.658 -9.182 6.042 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.814 -12.893 3.650 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.526 -12.504 3.946 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.351 -12.422 5.280 1.00 0.00 H new ATOM 790 N GLN A 49 6.261 -7.680 4.874 1.00 0.00 N ATOM 791 CA GLN A 49 7.099 -6.787 5.667 1.00 0.00 C ATOM 792 C GLN A 49 7.015 -5.356 5.147 1.00 0.00 C ATOM 793 O GLN A 49 6.936 -4.406 5.925 1.00 0.00 O ATOM 794 CB GLN A 49 8.551 -7.266 5.648 1.00 0.00 C ATOM 795 CG GLN A 49 9.430 -6.584 6.685 1.00 0.00 C ATOM 796 CD GLN A 49 10.898 -6.928 6.523 1.00 0.00 C ATOM 797 OE1 GLN A 49 11.254 -7.848 5.785 1.00 0.00 O ATOM 798 NE2 GLN A 49 11.759 -6.190 7.213 1.00 0.00 N ATOM 0 H GLN A 49 6.762 -8.457 4.443 1.00 0.00 H new ATOM 0 HA GLN A 49 6.733 -6.802 6.693 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.572 -8.343 5.817 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.970 -7.091 4.657 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.303 -5.504 6.609 1.00 0.00 H new ATOM 0 HG3 GLN A 49 9.101 -6.875 7.683 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.420 -5.438 7.812 1.00 0.00 H new ATOM 0 HE22 GLN A 49 12.760 -6.375 7.144 1.00 0.00 H new ATOM 807 N TRP A 50 7.033 -5.211 3.827 1.00 0.00 N ATOM 808 CA TRP A 50 6.960 -3.895 3.202 1.00 0.00 C ATOM 809 C TRP A 50 5.797 -3.088 3.768 1.00 0.00 C ATOM 810 O TRP A 50 5.977 -1.961 4.232 1.00 0.00 O ATOM 811 CB TRP A 50 6.810 -4.034 1.686 1.00 0.00 C ATOM 812 CG TRP A 50 6.771 -2.719 0.970 1.00 0.00 C ATOM 813 CD1 TRP A 50 7.840 -2.008 0.503 1.00 0.00 C ATOM 814 CD2 TRP A 50 5.605 -1.957 0.640 1.00 0.00 C ATOM 815 NE1 TRP A 50 7.408 -0.849 -0.097 1.00 0.00 N ATOM 816 CE2 TRP A 50 6.041 -0.795 -0.027 1.00 0.00 C ATOM 817 CE3 TRP A 50 4.235 -2.143 0.842 1.00 0.00 C ATOM 818 CZ2 TRP A 50 5.155 0.174 -0.491 1.00 0.00 C ATOM 819 CZ3 TRP A 50 3.357 -1.181 0.381 1.00 0.00 C ATOM 820 CH2 TRP A 50 3.819 -0.035 -0.280 1.00 0.00 C ATOM 0 H TRP A 50 7.097 -5.988 3.169 1.00 0.00 H new ATOM 0 HA TRP A 50 7.887 -3.365 3.421 1.00 0.00 H new ATOM 0 HB2 TRP A 50 7.639 -4.626 1.299 1.00 0.00 H new ATOM 0 HB3 TRP A 50 5.896 -4.586 1.468 1.00 0.00 H new ATOM 0 HD1 TRP A 50 8.873 -2.312 0.592 1.00 0.00 H new ATOM 0 HE1 TRP A 50 8.008 -0.144 -0.525 1.00 0.00 H new ATOM 0 HE3 TRP A 50 3.869 -3.023 1.350 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 5.509 1.059 -0.999 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 2.296 -1.315 0.533 1.00 0.00 H new ATOM 0 HH2 TRP A 50 3.107 0.698 -0.630 1.00 0.00 H new ATOM 831 N PHE A 51 4.603 -3.670 3.727 1.00 0.00 N ATOM 832 CA PHE A 51 3.409 -3.004 4.236 1.00 0.00 C ATOM 833 C PHE A 51 3.653 -2.444 5.634 1.00 0.00 C ATOM 834 O PHE A 51 3.241 -1.328 5.948 1.00 0.00 O ATOM 835 CB PHE A 51 2.229 -3.977 4.263 1.00 0.00 C ATOM 836 CG PHE A 51 1.485 -4.053 2.960 1.00 0.00 C ATOM 837 CD1 PHE A 51 0.427 -3.196 2.700 1.00 0.00 C ATOM 838 CD2 PHE A 51 1.843 -4.981 1.995 1.00 0.00 C ATOM 839 CE1 PHE A 51 -0.260 -3.265 1.503 1.00 0.00 C ATOM 840 CE2 PHE A 51 1.160 -5.054 0.796 1.00 0.00 C ATOM 841 CZ PHE A 51 0.108 -4.194 0.549 1.00 0.00 C ATOM 0 H PHE A 51 4.436 -4.602 3.347 1.00 0.00 H new ATOM 0 HA PHE A 51 3.173 -2.176 3.568 1.00 0.00 H new ATOM 0 HB2 PHE A 51 2.594 -4.971 4.523 1.00 0.00 H new ATOM 0 HB3 PHE A 51 1.538 -3.676 5.050 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.136 -2.466 3.441 1.00 0.00 H new ATOM 0 HD2 PHE A 51 2.666 -5.655 2.182 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -1.084 -2.593 1.313 1.00 0.00 H new ATOM 0 HE2 PHE A 51 1.449 -5.783 0.053 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.426 -4.248 -0.388 1.00 0.00 H new ATOM 851 N GLY A 52 4.326 -3.228 6.470 1.00 0.00 N ATOM 852 CA GLY A 52 4.613 -2.794 7.825 1.00 0.00 C ATOM 853 C GLY A 52 5.474 -1.547 7.865 1.00 0.00 C ATOM 854 O GLY A 52 5.131 -0.569 8.529 1.00 0.00 O ATOM 0 H GLY A 52 4.678 -4.156 6.234 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.676 -2.602 8.348 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.118 -3.598 8.361 1.00 0.00 H new ATOM 858 N ASP A 53 6.596 -1.582 7.154 1.00 0.00 N ATOM 859 CA ASP A 53 7.509 -0.445 7.110 1.00 0.00 C ATOM 860 C ASP A 53 6.839 0.767 6.472 1.00 0.00 C ATOM 861 O ASP A 53 7.065 1.905 6.885 1.00 0.00 O ATOM 862 CB ASP A 53 8.775 -0.811 6.334 1.00 0.00 C ATOM 863 CG ASP A 53 9.834 -1.442 7.218 1.00 0.00 C ATOM 864 OD1 ASP A 53 10.556 -0.692 7.906 1.00 0.00 O ATOM 865 OD2 ASP A 53 9.940 -2.687 7.220 1.00 0.00 O ATOM 0 H ASP A 53 6.895 -2.385 6.600 1.00 0.00 H new ATOM 0 HA ASP A 53 7.780 -0.189 8.134 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.518 -1.501 5.530 1.00 0.00 H new ATOM 0 HB3 ASP A 53 9.183 0.085 5.866 1.00 0.00 H new ATOM 870 N THR A 54 6.012 0.516 5.461 1.00 0.00 N ATOM 871 CA THR A 54 5.311 1.586 4.763 1.00 0.00 C ATOM 872 C THR A 54 4.456 2.402 5.726 1.00 0.00 C ATOM 873 O THR A 54 4.407 3.629 5.641 1.00 0.00 O ATOM 874 CB THR A 54 4.413 1.031 3.642 1.00 0.00 C ATOM 875 OG1 THR A 54 5.188 0.229 2.744 1.00 0.00 O ATOM 876 CG2 THR A 54 3.747 2.162 2.873 1.00 0.00 C ATOM 0 H THR A 54 5.812 -0.420 5.108 1.00 0.00 H new ATOM 0 HA THR A 54 6.073 2.229 4.323 1.00 0.00 H new ATOM 0 HB THR A 54 3.637 0.417 4.099 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.630 -0.048 1.988 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.118 1.746 2.086 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.134 2.753 3.553 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.511 2.799 2.427 1.00 0.00 H new ATOM 884 N ARG A 55 3.784 1.713 6.643 1.00 0.00 N ATOM 885 CA ARG A 55 2.931 2.375 7.622 1.00 0.00 C ATOM 886 C ARG A 55 3.730 3.375 8.452 1.00 0.00 C ATOM 887 O ARG A 55 3.360 4.545 8.559 1.00 0.00 O ATOM 888 CB ARG A 55 2.276 1.341 8.541 1.00 0.00 C ATOM 889 CG ARG A 55 1.143 0.572 7.882 1.00 0.00 C ATOM 890 CD ARG A 55 0.298 -0.165 8.911 1.00 0.00 C ATOM 891 NE ARG A 55 1.083 -1.137 9.667 1.00 0.00 N ATOM 892 CZ ARG A 55 1.391 -2.346 9.212 1.00 0.00 C ATOM 893 NH1 ARG A 55 0.983 -2.730 8.010 1.00 0.00 N ATOM 894 NH2 ARG A 55 2.108 -3.175 9.960 1.00 0.00 N ATOM 0 H ARG A 55 3.814 0.697 6.728 1.00 0.00 H new ATOM 0 HA ARG A 55 2.154 2.916 7.082 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.035 0.635 8.879 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.893 1.846 9.428 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.514 1.261 7.319 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.553 -0.142 7.168 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -0.147 0.555 9.598 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -0.523 -0.675 8.408 1.00 0.00 H new ATOM 0 HE ARG A 55 1.413 -0.873 10.595 1.00 0.00 H new ATOM 0 HH11 ARG A 55 0.431 -2.096 7.432 1.00 0.00 H new ATOM 0 HH12 ARG A 55 1.221 -3.659 7.663 1.00 0.00 H new ATOM 0 HH21 ARG A 55 2.423 -2.884 10.885 1.00 0.00 H new ATOM 0 HH22 ARG A 55 2.344 -4.103 9.610 1.00 0.00 H new ATOM 908 N TYR A 56 4.826 2.908 9.038 1.00 0.00 N ATOM 909 CA TYR A 56 5.676 3.760 9.861 1.00 0.00 C ATOM 910 C TYR A 56 5.943 5.094 9.169 1.00 0.00 C ATOM 911 O TYR A 56 5.711 6.159 9.740 1.00 0.00 O ATOM 912 CB TYR A 56 7.000 3.056 10.163 1.00 0.00 C ATOM 913 CG TYR A 56 8.153 4.007 10.391 1.00 0.00 C ATOM 914 CD1 TYR A 56 8.106 4.958 11.403 1.00 0.00 C ATOM 915 CD2 TYR A 56 9.291 3.954 9.594 1.00 0.00 C ATOM 916 CE1 TYR A 56 9.158 5.829 11.614 1.00 0.00 C ATOM 917 CE2 TYR A 56 10.347 4.821 9.799 1.00 0.00 C ATOM 918 CZ TYR A 56 10.276 5.756 10.810 1.00 0.00 C ATOM 919 OH TYR A 56 11.325 6.622 11.017 1.00 0.00 O ATOM 0 H TYR A 56 5.147 1.943 8.958 1.00 0.00 H new ATOM 0 HA TYR A 56 5.154 3.955 10.798 1.00 0.00 H new ATOM 0 HB2 TYR A 56 6.876 2.430 11.047 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.246 2.392 9.334 1.00 0.00 H new ATOM 0 HD1 TYR A 56 7.233 5.017 12.035 1.00 0.00 H new ATOM 0 HD2 TYR A 56 9.351 3.223 8.801 1.00 0.00 H new ATOM 0 HE1 TYR A 56 9.105 6.563 12.404 1.00 0.00 H new ATOM 0 HE2 TYR A 56 11.224 4.767 9.171 1.00 0.00 H new ATOM 0 HH TYR A 56 12.035 6.438 10.367 1.00 0.00 H new ATOM 929 N ALA A 57 6.431 5.025 7.935 1.00 0.00 N ATOM 930 CA ALA A 57 6.727 6.226 7.163 1.00 0.00 C ATOM 931 C ALA A 57 5.494 7.114 7.034 1.00 0.00 C ATOM 932 O ALA A 57 5.559 8.322 7.265 1.00 0.00 O ATOM 933 CB ALA A 57 7.256 5.851 5.787 1.00 0.00 C ATOM 0 H ALA A 57 6.630 4.151 7.448 1.00 0.00 H new ATOM 0 HA ALA A 57 7.494 6.790 7.694 1.00 0.00 H new ATOM 0 HB1 ALA A 57 7.473 6.757 5.221 1.00 0.00 H new ATOM 0 HB2 ALA A 57 8.168 5.264 5.895 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.507 5.263 5.257 1.00 0.00 H new ATOM 939 N LEU A 58 4.371 6.508 6.664 1.00 0.00 N ATOM 940 CA LEU A 58 3.122 7.244 6.503 1.00 0.00 C ATOM 941 C LEU A 58 2.744 7.964 7.794 1.00 0.00 C ATOM 942 O LEU A 58 2.726 9.193 7.850 1.00 0.00 O ATOM 943 CB LEU A 58 1.997 6.294 6.088 1.00 0.00 C ATOM 944 CG LEU A 58 0.576 6.851 6.190 1.00 0.00 C ATOM 945 CD1 LEU A 58 0.257 7.724 4.986 1.00 0.00 C ATOM 946 CD2 LEU A 58 -0.433 5.718 6.312 1.00 0.00 C ATOM 0 H LEU A 58 4.300 5.509 6.470 1.00 0.00 H new ATOM 0 HA LEU A 58 3.267 7.990 5.721 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.171 5.985 5.057 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.060 5.398 6.705 1.00 0.00 H new ATOM 0 HG LEU A 58 0.511 7.467 7.087 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.758 8.111 5.076 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.960 8.556 4.943 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.340 7.132 4.075 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.439 6.132 6.384 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.367 5.076 5.434 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.217 5.133 7.206 1.00 0.00 H new ATOM 958 N LYS A 59 2.444 7.189 8.831 1.00 0.00 N ATOM 959 CA LYS A 59 2.070 7.751 10.124 1.00 0.00 C ATOM 960 C LYS A 59 2.881 9.007 10.426 1.00 0.00 C ATOM 961 O LYS A 59 2.347 9.999 10.922 1.00 0.00 O ATOM 962 CB LYS A 59 2.279 6.717 11.232 1.00 0.00 C ATOM 963 CG LYS A 59 2.026 7.261 12.627 1.00 0.00 C ATOM 964 CD LYS A 59 3.290 7.843 13.237 1.00 0.00 C ATOM 965 CE LYS A 59 3.238 7.819 14.757 1.00 0.00 C ATOM 966 NZ LYS A 59 2.453 8.961 15.303 1.00 0.00 N ATOM 0 H LYS A 59 2.453 6.169 8.801 1.00 0.00 H new ATOM 0 HA LYS A 59 1.015 8.022 10.083 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.617 5.869 11.056 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.300 6.340 11.178 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.254 8.030 12.584 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.646 6.464 13.266 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.155 7.277 12.893 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.422 8.869 12.893 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.794 6.881 15.090 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.252 7.852 15.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.441 8.909 16.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.891 9.857 15.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.478 8.916 14.943 1.00 0.00 H new ATOM 980 N HIS A 60 4.175 8.958 10.123 1.00 0.00 N ATOM 981 CA HIS A 60 5.059 10.093 10.361 1.00 0.00 C ATOM 982 C HIS A 60 4.860 11.169 9.297 1.00 0.00 C ATOM 983 O HIS A 60 4.872 12.362 9.597 1.00 0.00 O ATOM 984 CB HIS A 60 6.518 9.636 10.373 1.00 0.00 C ATOM 985 CG HIS A 60 6.946 9.033 11.676 1.00 0.00 C ATOM 986 ND1 HIS A 60 7.754 9.689 12.580 1.00 0.00 N ATOM 987 CD2 HIS A 60 6.671 7.827 12.226 1.00 0.00 C ATOM 988 CE1 HIS A 60 7.959 8.912 13.628 1.00 0.00 C ATOM 989 NE2 HIS A 60 7.312 7.776 13.439 1.00 0.00 N ATOM 0 H HIS A 60 4.634 8.145 9.712 1.00 0.00 H new ATOM 0 HA HIS A 60 4.811 10.518 11.334 1.00 0.00 H new ATOM 0 HB2 HIS A 60 6.668 8.906 9.578 1.00 0.00 H new ATOM 0 HB3 HIS A 60 7.159 10.488 10.149 1.00 0.00 H new ATOM 0 HD2 HIS A 60 6.061 7.049 11.791 1.00 0.00 H new ATOM 0 HE1 HIS A 60 8.555 9.163 14.493 1.00 0.00 H new ATOM 0 HE2 HIS A 60 7.292 6.989 14.088 1.00 0.00 H new ATOM 998 N GLY A 61 4.678 10.738 8.053 1.00 0.00 N ATOM 999 CA GLY A 61 4.480 11.677 6.964 1.00 0.00 C ATOM 1000 C GLY A 61 5.632 11.674 5.979 1.00 0.00 C ATOM 1001 O GLY A 61 6.057 12.729 5.509 1.00 0.00 O ATOM 0 H GLY A 61 4.664 9.755 7.780 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.557 11.431 6.439 1.00 0.00 H new ATOM 0 HA3 GLY A 61 4.357 12.680 7.371 1.00 0.00 H new ATOM 1005 N GLN A 62 6.138 10.485 5.666 1.00 0.00 N ATOM 1006 CA GLN A 62 7.249 10.350 4.732 1.00 0.00 C ATOM 1007 C GLN A 62 6.744 10.052 3.324 1.00 0.00 C ATOM 1008 O GLN A 62 7.174 10.677 2.354 1.00 0.00 O ATOM 1009 CB GLN A 62 8.197 9.241 5.192 1.00 0.00 C ATOM 1010 CG GLN A 62 9.137 9.668 6.309 1.00 0.00 C ATOM 1011 CD GLN A 62 9.685 11.067 6.107 1.00 0.00 C ATOM 1012 OE1 GLN A 62 10.168 11.407 5.027 1.00 0.00 O ATOM 1013 NE2 GLN A 62 9.613 11.887 7.149 1.00 0.00 N ATOM 0 H GLN A 62 5.796 9.602 6.046 1.00 0.00 H new ATOM 0 HA GLN A 62 7.790 11.296 4.711 1.00 0.00 H new ATOM 0 HB2 GLN A 62 7.608 8.388 5.530 1.00 0.00 H new ATOM 0 HB3 GLN A 62 8.788 8.903 4.341 1.00 0.00 H new ATOM 0 HG2 GLN A 62 8.608 9.623 7.261 1.00 0.00 H new ATOM 0 HG3 GLN A 62 9.966 8.963 6.371 1.00 0.00 H new ATOM 0 HE21 GLN A 62 9.204 11.563 8.026 1.00 0.00 H new ATOM 0 HE22 GLN A 62 9.966 12.841 7.073 1.00 0.00 H new ATOM 1022 N LEU A 63 5.830 9.094 3.220 1.00 0.00 N ATOM 1023 CA LEU A 63 5.266 8.712 1.930 1.00 0.00 C ATOM 1024 C LEU A 63 4.872 9.945 1.122 1.00 0.00 C ATOM 1025 O LEU A 63 3.936 10.661 1.478 1.00 0.00 O ATOM 1026 CB LEU A 63 4.048 7.809 2.131 1.00 0.00 C ATOM 1027 CG LEU A 63 4.327 6.307 2.186 1.00 0.00 C ATOM 1028 CD1 LEU A 63 5.378 5.998 3.242 1.00 0.00 C ATOM 1029 CD2 LEU A 63 3.046 5.536 2.465 1.00 0.00 C ATOM 0 H LEU A 63 5.464 8.568 4.013 1.00 0.00 H new ATOM 0 HA LEU A 63 6.028 8.165 1.375 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.554 8.100 3.058 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.343 7.998 1.321 1.00 0.00 H new ATOM 0 HG LEU A 63 4.712 5.993 1.216 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.564 4.924 3.267 1.00 0.00 H new ATOM 0 HD12 LEU A 63 6.303 6.521 2.999 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.021 6.327 4.218 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.264 4.469 2.501 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.631 5.854 3.422 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.323 5.732 1.673 1.00 0.00 H new ATOM 1041 N LYS A 64 5.591 10.185 0.030 1.00 0.00 N ATOM 1042 CA LYS A 64 5.315 11.328 -0.832 1.00 0.00 C ATOM 1043 C LYS A 64 4.085 11.073 -1.697 1.00 0.00 C ATOM 1044 O LYS A 64 3.410 12.010 -2.123 1.00 0.00 O ATOM 1045 CB LYS A 64 6.525 11.625 -1.721 1.00 0.00 C ATOM 1046 CG LYS A 64 6.668 13.094 -2.082 1.00 0.00 C ATOM 1047 CD LYS A 64 5.937 13.424 -3.373 1.00 0.00 C ATOM 1048 CE LYS A 64 6.046 14.903 -3.712 1.00 0.00 C ATOM 1049 NZ LYS A 64 5.681 15.175 -5.130 1.00 0.00 N ATOM 0 H LYS A 64 6.369 9.603 -0.279 1.00 0.00 H new ATOM 0 HA LYS A 64 5.117 12.192 -0.197 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.430 11.295 -1.211 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.444 11.040 -2.637 1.00 0.00 H new ATOM 0 HG2 LYS A 64 6.274 13.709 -1.272 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.724 13.343 -2.187 1.00 0.00 H new ATOM 0 HD2 LYS A 64 6.351 12.831 -4.189 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.887 13.147 -3.279 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.394 15.476 -3.053 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.065 15.244 -3.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.768 16.193 -5.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 6.319 14.648 -5.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.700 14.873 -5.300 1.00 0.00 H new ATOM 1063 N TRP A 65 3.799 9.801 -1.950 1.00 0.00 N ATOM 1064 CA TRP A 65 2.648 9.425 -2.763 1.00 0.00 C ATOM 1065 C TRP A 65 1.386 9.337 -1.912 1.00 0.00 C ATOM 1066 O TRP A 65 0.287 9.636 -2.382 1.00 0.00 O ATOM 1067 CB TRP A 65 2.904 8.085 -3.456 1.00 0.00 C ATOM 1068 CG TRP A 65 3.607 7.090 -2.584 1.00 0.00 C ATOM 1069 CD1 TRP A 65 4.946 7.034 -2.318 1.00 0.00 C ATOM 1070 CD2 TRP A 65 3.008 6.007 -1.865 1.00 0.00 C ATOM 1071 NE1 TRP A 65 5.214 5.981 -1.477 1.00 0.00 N ATOM 1072 CE2 TRP A 65 4.042 5.336 -1.183 1.00 0.00 C ATOM 1073 CE3 TRP A 65 1.698 5.539 -1.728 1.00 0.00 C ATOM 1074 CZ2 TRP A 65 3.805 4.223 -0.381 1.00 0.00 C ATOM 1075 CZ3 TRP A 65 1.464 4.435 -0.931 1.00 0.00 C ATOM 1076 CH2 TRP A 65 2.513 3.787 -0.265 1.00 0.00 C ATOM 0 H TRP A 65 4.347 9.013 -1.604 1.00 0.00 H new ATOM 0 HA TRP A 65 2.501 10.196 -3.519 1.00 0.00 H new ATOM 0 HB2 TRP A 65 1.952 7.664 -3.781 1.00 0.00 H new ATOM 0 HB3 TRP A 65 3.499 8.256 -4.353 1.00 0.00 H new ATOM 0 HD1 TRP A 65 5.685 7.717 -2.711 1.00 0.00 H new ATOM 0 HE1 TRP A 65 6.137 5.722 -1.128 1.00 0.00 H new ATOM 0 HE3 TRP A 65 0.883 6.032 -2.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 4.612 3.721 0.132 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 0.455 4.065 -0.819 1.00 0.00 H new ATOM 0 HH2 TRP A 65 2.298 2.927 0.352 1.00 0.00 H new ATOM 1087 N PHE A 66 1.549 8.927 -0.659 1.00 0.00 N ATOM 1088 CA PHE A 66 0.421 8.801 0.257 1.00 0.00 C ATOM 1089 C PHE A 66 -0.037 10.170 0.748 1.00 0.00 C ATOM 1090 O PHE A 66 0.751 10.940 1.299 1.00 0.00 O ATOM 1091 CB PHE A 66 0.802 7.920 1.449 1.00 0.00 C ATOM 1092 CG PHE A 66 -0.377 7.261 2.107 1.00 0.00 C ATOM 1093 CD1 PHE A 66 -1.477 8.007 2.496 1.00 0.00 C ATOM 1094 CD2 PHE A 66 -0.383 5.894 2.338 1.00 0.00 C ATOM 1095 CE1 PHE A 66 -2.563 7.404 3.102 1.00 0.00 C ATOM 1096 CE2 PHE A 66 -1.466 5.285 2.943 1.00 0.00 C ATOM 1097 CZ PHE A 66 -2.557 6.041 3.326 1.00 0.00 C ATOM 0 H PHE A 66 2.451 8.676 -0.254 1.00 0.00 H new ATOM 0 HA PHE A 66 -0.403 8.335 -0.283 1.00 0.00 H new ATOM 0 HB2 PHE A 66 1.498 7.151 1.115 1.00 0.00 H new ATOM 0 HB3 PHE A 66 1.327 8.527 2.186 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.486 9.073 2.324 1.00 0.00 H new ATOM 0 HD2 PHE A 66 0.468 5.299 2.042 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.415 7.997 3.400 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.459 4.219 3.116 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.404 5.567 3.800 1.00 0.00 H new ATOM 1107 N ARG A 67 -1.316 10.468 0.544 1.00 0.00 N ATOM 1108 CA ARG A 67 -1.880 11.745 0.964 1.00 0.00 C ATOM 1109 C ARG A 67 -1.532 12.040 2.420 1.00 0.00 C ATOM 1110 O ARG A 67 -1.591 11.156 3.275 1.00 0.00 O ATOM 1111 CB ARG A 67 -3.399 11.741 0.782 1.00 0.00 C ATOM 1112 CG ARG A 67 -4.102 10.635 1.552 1.00 0.00 C ATOM 1113 CD ARG A 67 -5.528 11.024 1.909 1.00 0.00 C ATOM 1114 NE ARG A 67 -6.478 10.628 0.873 1.00 0.00 N ATOM 1115 CZ ARG A 67 -7.017 9.416 0.794 1.00 0.00 C ATOM 1116 NH1 ARG A 67 -6.701 8.487 1.686 1.00 0.00 N ATOM 1117 NH2 ARG A 67 -7.874 9.132 -0.178 1.00 0.00 N ATOM 0 H ARG A 67 -1.981 9.842 0.090 1.00 0.00 H new ATOM 0 HA ARG A 67 -1.449 12.527 0.339 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.797 12.704 1.101 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -3.629 11.637 -0.278 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.111 9.723 0.954 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -3.545 10.414 2.463 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -5.806 10.556 2.854 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -5.583 12.102 2.059 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.742 11.320 0.172 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -6.043 8.702 2.435 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -7.116 7.557 1.623 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -8.120 9.844 -0.866 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -8.287 8.201 -0.238 1.00 0.00 H new ATOM 1131 N ASP A 68 -1.170 13.289 2.695 1.00 0.00 N ATOM 1132 CA ASP A 68 -0.813 13.701 4.048 1.00 0.00 C ATOM 1133 C ASP A 68 -2.033 14.231 4.794 1.00 0.00 C ATOM 1134 O ASP A 68 -2.280 15.436 4.822 1.00 0.00 O ATOM 1135 CB ASP A 68 0.280 14.770 4.006 1.00 0.00 C ATOM 1136 CG ASP A 68 -0.148 16.006 3.240 1.00 0.00 C ATOM 1137 OD1 ASP A 68 -0.809 15.855 2.191 1.00 0.00 O ATOM 1138 OD2 ASP A 68 0.177 17.125 3.689 1.00 0.00 O ATOM 0 H ASP A 68 -1.116 14.033 1.999 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.436 12.828 4.580 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.548 15.052 5.024 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.175 14.352 3.545 1.00 0.00 H new ATOM 1143 N ASN A 69 -2.794 13.323 5.396 1.00 0.00 N ATOM 1144 CA ASN A 69 -3.990 13.699 6.141 1.00 0.00 C ATOM 1145 C ASN A 69 -3.711 14.892 7.050 1.00 0.00 C ATOM 1146 O ASN A 69 -3.094 14.751 8.105 1.00 0.00 O ATOM 1147 CB ASN A 69 -4.492 12.517 6.972 1.00 0.00 C ATOM 1148 CG ASN A 69 -4.880 11.330 6.112 1.00 0.00 C ATOM 1149 OD1 ASN A 69 -4.991 11.443 4.891 1.00 0.00 O ATOM 1150 ND2 ASN A 69 -5.089 10.182 6.748 1.00 0.00 N ATOM 0 H ASN A 69 -2.604 12.321 5.382 1.00 0.00 H new ATOM 0 HA ASN A 69 -4.760 13.983 5.424 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -3.716 12.215 7.675 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -5.352 12.831 7.563 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.353 9.349 6.223 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -4.986 10.134 7.762 1.00 0.00 H new ATOM 1157 N ALA A 70 -4.171 16.067 6.633 1.00 0.00 N ATOM 1158 CA ALA A 70 -3.974 17.285 7.411 1.00 0.00 C ATOM 1159 C ALA A 70 -5.053 17.435 8.478 1.00 0.00 C ATOM 1160 O ALA A 70 -6.011 18.187 8.304 1.00 0.00 O ATOM 1161 CB ALA A 70 -3.962 18.500 6.495 1.00 0.00 C ATOM 0 H ALA A 70 -4.683 16.202 5.761 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.010 17.214 7.914 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -3.814 19.402 7.089 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.151 18.404 5.773 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.913 18.566 5.966 1.00 0.00 H new ATOM 1167 N SER A 71 -4.890 16.714 9.583 1.00 0.00 N ATOM 1168 CA SER A 71 -5.852 16.763 10.677 1.00 0.00 C ATOM 1169 C SER A 71 -5.227 17.384 11.923 1.00 0.00 C ATOM 1170 O SER A 71 -4.006 17.473 12.039 1.00 0.00 O ATOM 1171 CB SER A 71 -6.366 15.358 10.997 1.00 0.00 C ATOM 1172 OG SER A 71 -5.405 14.618 11.729 1.00 0.00 O ATOM 0 H SER A 71 -4.100 16.089 9.744 1.00 0.00 H new ATOM 0 HA SER A 71 -6.690 17.385 10.363 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.290 15.427 11.571 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.604 14.835 10.071 1.00 0.00 H new ATOM 0 HG SER A 71 -5.758 13.725 11.923 1.00 0.00 H new ATOM 1178 N GLY A 72 -6.076 17.813 12.852 1.00 0.00 N ATOM 1179 CA GLY A 72 -5.589 18.420 14.077 1.00 0.00 C ATOM 1180 C GLY A 72 -4.326 19.230 13.861 1.00 0.00 C ATOM 1181 O GLY A 72 -4.370 20.393 13.459 1.00 0.00 O ATOM 0 H GLY A 72 -7.091 17.751 12.778 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -6.364 19.065 14.492 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.395 17.640 14.813 1.00 0.00 H new ATOM 1185 N PRO A 73 -3.168 18.610 14.132 1.00 0.00 N ATOM 1186 CA PRO A 73 -1.865 19.263 13.974 1.00 0.00 C ATOM 1187 C PRO A 73 -1.509 19.499 12.510 1.00 0.00 C ATOM 1188 O PRO A 73 -2.192 19.011 11.609 1.00 0.00 O ATOM 1189 CB PRO A 73 -0.890 18.268 14.607 1.00 0.00 C ATOM 1190 CG PRO A 73 -1.568 16.947 14.491 1.00 0.00 C ATOM 1191 CD PRO A 73 -3.041 17.225 14.615 1.00 0.00 C ATOM 0 HA PRO A 73 -1.846 20.251 14.434 1.00 0.00 H new ATOM 0 HB2 PRO A 73 0.068 18.268 14.088 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -0.688 18.519 15.648 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.339 16.474 13.536 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -1.232 16.266 15.273 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -3.632 16.534 14.014 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -3.384 17.126 15.645 1.00 0.00 H new ATOM 1199 N SER A 74 -0.436 20.248 12.279 1.00 0.00 N ATOM 1200 CA SER A 74 0.009 20.550 10.924 1.00 0.00 C ATOM 1201 C SER A 74 0.761 19.367 10.322 1.00 0.00 C ATOM 1202 O SER A 74 1.479 18.653 11.021 1.00 0.00 O ATOM 1203 CB SER A 74 0.904 21.791 10.923 1.00 0.00 C ATOM 1204 OG SER A 74 0.914 22.412 9.649 1.00 0.00 O ATOM 0 H SER A 74 0.142 20.657 13.013 1.00 0.00 H new ATOM 0 HA SER A 74 -0.873 20.746 10.314 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.551 22.499 11.673 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.920 21.511 11.202 1.00 0.00 H new ATOM 0 HG SER A 74 1.492 23.203 9.675 1.00 0.00 H new ATOM 1210 N SER A 75 0.589 19.166 9.019 1.00 0.00 N ATOM 1211 CA SER A 75 1.247 18.067 8.322 1.00 0.00 C ATOM 1212 C SER A 75 2.173 18.594 7.230 1.00 0.00 C ATOM 1213 O SER A 75 3.309 18.142 7.093 1.00 0.00 O ATOM 1214 CB SER A 75 0.207 17.125 7.714 1.00 0.00 C ATOM 1215 OG SER A 75 0.733 15.819 7.554 1.00 0.00 O ATOM 0 H SER A 75 -0.000 19.750 8.425 1.00 0.00 H new ATOM 0 HA SER A 75 1.845 17.516 9.047 1.00 0.00 H new ATOM 0 HB2 SER A 75 -0.674 17.089 8.354 1.00 0.00 H new ATOM 0 HB3 SER A 75 -0.117 17.511 6.747 1.00 0.00 H new ATOM 0 HG SER A 75 0.048 15.236 7.165 1.00 0.00 H new ATOM 1221 N GLY A 76 1.678 19.554 6.455 1.00 0.00 N ATOM 1222 CA GLY A 76 2.473 20.128 5.385 1.00 0.00 C ATOM 1223 C GLY A 76 1.732 20.155 4.063 1.00 0.00 C ATOM 1224 O GLY A 76 2.082 20.918 3.163 1.00 0.00 O ATOM 0 H GLY A 76 0.740 19.945 6.549 1.00 0.00 H new ATOM 0 HA2 GLY A 76 2.763 21.143 5.656 1.00 0.00 H new ATOM 0 HA3 GLY A 76 3.392 19.554 5.271 1.00 0.00 H new TER 1228 GLY A 76