USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 690 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 5 TYR OH : rot 79:sc= 0.588 USER MOD Set 1.2: A 34 CYS SG : rot 100:sc= 0.182 USER MOD Single : A 1 MET CE :methyl 172:sc= 0 (180deg=-0.0671) USER MOD Single : A 1 MET N :NH3+ -173:sc= -0.0184 (180deg=-0.0839) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.61 USER MOD Single : A 22 THR OG1 : rot 73:sc= 0.26 USER MOD Single : A 28 THR OG1 : rot 150:sc= 0.633 USER MOD Single : A 31 CYS SG : rot 170:sc= -0.118 USER MOD Single : A 33 HIS : no HE2:sc= 0.382 K(o=0.38,f=-3.9!) USER MOD Single : A 35 GLN : amide:sc= 1.2 K(o=1.2,f=-0.02) USER MOD Single : A 38 GLN : amide:sc= -0.413 X(o=-0.41,f=-0.43) USER MOD Single : A 46 SER OG : rot 75:sc= 0.724 USER MOD Single : A 48 TYR OH : rot 180:sc=-0.000282 USER MOD Single : A 53 HIS : no HE2:sc= -0.347 K(o=-0.35,f=-2.3!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN :FLIP amide:sc=-0.00636 F(o=-1,f=-0.0064) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 118:sc= 1.31 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.985 5.445 9.789 1.00 0.00 N ATOM 2 CA MET A 1 14.576 4.598 10.832 1.00 0.00 C ATOM 3 C MET A 1 13.512 3.844 11.654 1.00 0.00 C ATOM 4 O MET A 1 13.754 2.728 12.121 1.00 0.00 O ATOM 5 CB MET A 1 15.447 5.488 11.732 1.00 0.00 C ATOM 6 CG MET A 1 16.265 4.695 12.763 1.00 0.00 C ATOM 7 SD MET A 1 17.385 5.684 13.782 1.00 0.00 S ATOM 8 CE MET A 1 16.185 6.586 14.791 1.00 0.00 C ATOM 0 H1 MET A 1 14.740 5.836 9.190 1.00 0.00 H new ATOM 0 H2 MET A 1 13.339 4.876 9.205 1.00 0.00 H new ATOM 0 H3 MET A 1 13.456 6.223 10.232 1.00 0.00 H new ATOM 0 HA MET A 1 15.184 3.827 10.360 1.00 0.00 H new ATOM 0 HB2 MET A 1 16.127 6.069 11.108 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.808 6.199 12.255 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.576 4.164 13.419 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.849 3.940 12.237 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.708 7.137 15.572 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.632 7.284 14.162 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.490 5.881 15.247 1.00 0.00 H new ATOM 16 N LYS A 2 12.322 4.436 11.812 1.00 0.00 N ATOM 17 CA LYS A 2 11.196 3.855 12.567 1.00 0.00 C ATOM 18 C LYS A 2 10.458 2.745 11.789 1.00 0.00 C ATOM 19 O LYS A 2 10.076 1.725 12.372 1.00 0.00 O ATOM 20 CB LYS A 2 10.249 5.018 12.941 1.00 0.00 C ATOM 21 CG LYS A 2 9.080 4.575 13.839 1.00 0.00 C ATOM 22 CD LYS A 2 8.204 5.771 14.228 1.00 0.00 C ATOM 23 CE LYS A 2 6.944 5.356 15.005 1.00 0.00 C ATOM 24 NZ LYS A 2 7.253 4.826 16.359 1.00 0.00 N ATOM 0 H LYS A 2 12.107 5.350 11.413 1.00 0.00 H new ATOM 0 HA LYS A 2 11.575 3.361 13.462 1.00 0.00 H new ATOM 0 HB2 LYS A 2 10.819 5.794 13.452 1.00 0.00 H new ATOM 0 HB3 LYS A 2 9.851 5.463 12.029 1.00 0.00 H new ATOM 0 HG2 LYS A 2 8.477 3.832 13.317 1.00 0.00 H new ATOM 0 HG3 LYS A 2 9.468 4.096 14.738 1.00 0.00 H new ATOM 0 HD2 LYS A 2 8.789 6.462 14.835 1.00 0.00 H new ATOM 0 HD3 LYS A 2 7.909 6.309 13.327 1.00 0.00 H new ATOM 0 HE2 LYS A 2 6.280 6.216 15.099 1.00 0.00 H new ATOM 0 HE3 LYS A 2 6.405 4.598 14.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 6.369 4.562 16.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 7.864 3.989 16.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 7.743 5.556 16.914 1.00 0.00 H new ATOM 34 N THR A 3 10.265 2.934 10.477 1.00 0.00 N ATOM 35 CA THR A 3 9.470 2.054 9.598 1.00 0.00 C ATOM 36 C THR A 3 10.271 0.836 9.144 1.00 0.00 C ATOM 37 O THR A 3 11.478 0.932 8.913 1.00 0.00 O ATOM 38 CB THR A 3 8.955 2.841 8.373 1.00 0.00 C ATOM 39 OG1 THR A 3 8.304 4.003 8.853 1.00 0.00 O ATOM 40 CG2 THR A 3 7.948 2.047 7.523 1.00 0.00 C ATOM 0 H THR A 3 10.669 3.727 9.979 1.00 0.00 H new ATOM 0 HA THR A 3 8.618 1.695 10.176 1.00 0.00 H new ATOM 0 HB THR A 3 9.811 3.066 7.737 1.00 0.00 H new ATOM 0 HG1 THR A 3 7.967 4.526 8.096 1.00 0.00 H new ATOM 0 HG21 THR A 3 7.625 2.656 6.678 1.00 0.00 H new ATOM 0 HG22 THR A 3 8.421 1.137 7.154 1.00 0.00 H new ATOM 0 HG23 THR A 3 7.084 1.785 8.133 1.00 0.00 H new ATOM 48 N ARG A 4 9.580 -0.298 8.971 1.00 0.00 N ATOM 49 CA ARG A 4 10.080 -1.517 8.325 1.00 0.00 C ATOM 50 C ARG A 4 8.941 -2.334 7.706 1.00 0.00 C ATOM 51 O ARG A 4 7.796 -2.266 8.161 1.00 0.00 O ATOM 52 CB ARG A 4 11.020 -2.320 9.248 1.00 0.00 C ATOM 53 CG ARG A 4 10.560 -2.661 10.679 1.00 0.00 C ATOM 54 CD ARG A 4 9.895 -4.040 10.802 1.00 0.00 C ATOM 55 NE ARG A 4 8.543 -4.037 10.239 1.00 0.00 N ATOM 56 CZ ARG A 4 7.736 -5.081 10.080 1.00 0.00 C ATOM 57 NH1 ARG A 4 8.046 -6.289 10.497 1.00 0.00 N ATOM 58 NH2 ARG A 4 6.595 -4.889 9.471 1.00 0.00 N ATOM 0 H ARG A 4 8.616 -0.394 9.291 1.00 0.00 H new ATOM 0 HA ARG A 4 10.709 -1.222 7.485 1.00 0.00 H new ATOM 0 HB2 ARG A 4 11.250 -3.259 8.745 1.00 0.00 H new ATOM 0 HB3 ARG A 4 11.954 -1.764 9.328 1.00 0.00 H new ATOM 0 HG2 ARG A 4 11.421 -2.622 11.347 1.00 0.00 H new ATOM 0 HG3 ARG A 4 9.859 -1.898 11.017 1.00 0.00 H new ATOM 0 HD2 ARG A 4 10.502 -4.785 10.288 1.00 0.00 H new ATOM 0 HD3 ARG A 4 9.853 -4.332 11.851 1.00 0.00 H new ATOM 0 HE ARG A 4 8.180 -3.133 9.935 1.00 0.00 H new ATOM 0 HH11 ARG A 4 8.938 -6.454 10.964 1.00 0.00 H new ATOM 0 HH12 ARG A 4 7.395 -7.061 10.353 1.00 0.00 H new ATOM 0 HH21 ARG A 4 6.347 -3.959 9.134 1.00 0.00 H new ATOM 0 HH22 ARG A 4 5.953 -5.669 9.333 1.00 0.00 H new ATOM 69 N TYR A 5 9.260 -3.101 6.671 1.00 0.00 N ATOM 70 CA TYR A 5 8.321 -3.926 5.897 1.00 0.00 C ATOM 71 C TYR A 5 8.134 -5.343 6.471 1.00 0.00 C ATOM 72 O TYR A 5 8.999 -5.863 7.178 1.00 0.00 O ATOM 73 CB TYR A 5 8.860 -4.021 4.463 1.00 0.00 C ATOM 74 CG TYR A 5 8.328 -2.951 3.537 1.00 0.00 C ATOM 75 CD1 TYR A 5 8.648 -1.596 3.740 1.00 0.00 C ATOM 76 CD2 TYR A 5 7.449 -3.325 2.508 1.00 0.00 C ATOM 77 CE1 TYR A 5 8.155 -0.623 2.846 1.00 0.00 C ATOM 78 CE2 TYR A 5 6.954 -2.357 1.611 1.00 0.00 C ATOM 79 CZ TYR A 5 7.358 -1.011 1.749 1.00 0.00 C ATOM 80 OH TYR A 5 6.979 -0.084 0.829 1.00 0.00 O ATOM 0 H TYR A 5 10.218 -3.173 6.328 1.00 0.00 H new ATOM 0 HA TYR A 5 7.341 -3.451 5.937 1.00 0.00 H new ATOM 0 HB2 TYR A 5 9.948 -3.957 4.489 1.00 0.00 H new ATOM 0 HB3 TYR A 5 8.608 -5.000 4.054 1.00 0.00 H new ATOM 0 HD1 TYR A 5 9.267 -1.303 4.575 1.00 0.00 H new ATOM 0 HD2 TYR A 5 7.151 -4.358 2.403 1.00 0.00 H new ATOM 0 HE1 TYR A 5 8.388 0.420 3.002 1.00 0.00 H new ATOM 0 HE2 TYR A 5 6.271 -2.642 0.824 1.00 0.00 H new ATOM 0 HH TYR A 5 7.722 0.089 0.213 1.00 0.00 H new ATOM 89 N SER A 6 7.014 -5.988 6.126 1.00 0.00 N ATOM 90 CA SER A 6 6.691 -7.350 6.555 1.00 0.00 C ATOM 91 C SER A 6 6.983 -8.411 5.485 1.00 0.00 C ATOM 92 O SER A 6 6.332 -8.453 4.436 1.00 0.00 O ATOM 93 CB SER A 6 5.209 -7.475 6.948 1.00 0.00 C ATOM 94 OG SER A 6 4.864 -6.630 8.040 1.00 0.00 O ATOM 0 H SER A 6 6.297 -5.571 5.532 1.00 0.00 H new ATOM 0 HA SER A 6 7.337 -7.534 7.414 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.586 -7.226 6.089 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.992 -8.510 7.211 1.00 0.00 H new ATOM 0 HG SER A 6 3.914 -6.742 8.253 1.00 0.00 H new ATOM 99 N ALA A 7 7.898 -9.337 5.783 1.00 0.00 N ATOM 100 CA ALA A 7 7.995 -10.630 5.093 1.00 0.00 C ATOM 101 C ALA A 7 6.877 -11.591 5.540 1.00 0.00 C ATOM 102 O ALA A 7 6.419 -12.434 4.769 1.00 0.00 O ATOM 103 CB ALA A 7 9.373 -11.223 5.405 1.00 0.00 C ATOM 0 H ALA A 7 8.598 -9.212 6.514 1.00 0.00 H new ATOM 0 HA ALA A 7 7.875 -10.485 4.019 1.00 0.00 H new ATOM 0 HB1 ALA A 7 9.476 -12.186 4.906 1.00 0.00 H new ATOM 0 HB2 ALA A 7 10.150 -10.545 5.050 1.00 0.00 H new ATOM 0 HB3 ALA A 7 9.475 -11.360 6.482 1.00 0.00 H new ATOM 109 N GLU A 8 6.400 -11.404 6.776 1.00 0.00 N ATOM 110 CA GLU A 8 5.332 -12.126 7.464 1.00 0.00 C ATOM 111 C GLU A 8 3.909 -11.784 6.960 1.00 0.00 C ATOM 112 O GLU A 8 2.924 -11.949 7.684 1.00 0.00 O ATOM 113 CB GLU A 8 5.498 -11.929 8.985 1.00 0.00 C ATOM 114 CG GLU A 8 5.249 -10.502 9.531 1.00 0.00 C ATOM 115 CD GLU A 8 6.471 -9.567 9.550 1.00 0.00 C ATOM 116 OE1 GLU A 8 7.367 -9.693 8.683 1.00 0.00 O ATOM 117 OE2 GLU A 8 6.518 -8.658 10.411 1.00 0.00 O ATOM 0 H GLU A 8 6.791 -10.675 7.372 1.00 0.00 H new ATOM 0 HA GLU A 8 5.434 -13.185 7.226 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.817 -12.612 9.493 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.510 -12.226 9.258 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.468 -10.035 8.931 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.863 -10.585 10.547 1.00 0.00 H new ATOM 122 N ALA A 9 3.790 -11.288 5.723 1.00 0.00 N ATOM 123 CA ALA A 9 2.515 -10.971 5.085 1.00 0.00 C ATOM 124 C ALA A 9 1.650 -12.232 4.829 1.00 0.00 C ATOM 125 O ALA A 9 2.193 -13.337 4.674 1.00 0.00 O ATOM 126 CB ALA A 9 2.771 -10.217 3.771 1.00 0.00 C ATOM 0 H ALA A 9 4.596 -11.093 5.129 1.00 0.00 H new ATOM 0 HA ALA A 9 1.950 -10.338 5.769 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.819 -9.981 3.296 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.311 -9.294 3.981 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.365 -10.841 3.103 1.00 0.00 H new ATOM 132 N PRO A 10 0.313 -12.070 4.746 1.00 0.00 N ATOM 133 CA PRO A 10 -0.633 -13.152 4.493 1.00 0.00 C ATOM 134 C PRO A 10 -0.545 -13.690 3.056 1.00 0.00 C ATOM 135 O PRO A 10 -0.032 -13.034 2.154 1.00 0.00 O ATOM 136 CB PRO A 10 -2.013 -12.544 4.763 1.00 0.00 C ATOM 137 CG PRO A 10 -1.820 -11.075 4.411 1.00 0.00 C ATOM 138 CD PRO A 10 -0.415 -10.823 4.936 1.00 0.00 C ATOM 0 HA PRO A 10 -0.420 -14.010 5.130 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -2.785 -13.007 4.148 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -2.314 -12.673 5.803 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -1.896 -10.896 3.338 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -2.560 -10.436 4.894 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.063 -10.006 4.396 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -0.436 -10.540 5.988 1.00 0.00 H new ATOM 143 N ALA A 11 -1.128 -14.877 2.842 1.00 0.00 N ATOM 144 CA ALA A 11 -1.505 -15.356 1.506 1.00 0.00 C ATOM 145 C ALA A 11 -2.772 -14.616 1.018 1.00 0.00 C ATOM 146 O ALA A 11 -3.579 -14.160 1.834 1.00 0.00 O ATOM 147 CB ALA A 11 -1.715 -16.873 1.569 1.00 0.00 C ATOM 0 H ALA A 11 -1.352 -15.532 3.591 1.00 0.00 H new ATOM 0 HA ALA A 11 -0.713 -15.147 0.787 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.996 -17.243 0.583 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -0.791 -17.355 1.888 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.508 -17.101 2.281 1.00 0.00 H new ATOM 153 N ARG A 12 -2.989 -14.519 -0.299 1.00 0.00 N ATOM 154 CA ARG A 12 -4.087 -13.698 -0.842 1.00 0.00 C ATOM 155 C ARG A 12 -5.477 -14.200 -0.422 1.00 0.00 C ATOM 156 O ARG A 12 -6.381 -13.387 -0.234 1.00 0.00 O ATOM 157 CB ARG A 12 -3.956 -13.569 -2.372 1.00 0.00 C ATOM 158 CG ARG A 12 -5.006 -12.638 -3.023 1.00 0.00 C ATOM 159 CD ARG A 12 -5.087 -11.231 -2.402 1.00 0.00 C ATOM 160 NE ARG A 12 -6.209 -10.441 -2.936 1.00 0.00 N ATOM 161 CZ ARG A 12 -7.490 -10.547 -2.585 1.00 0.00 C ATOM 162 NH1 ARG A 12 -7.917 -11.432 -1.715 1.00 0.00 N ATOM 163 NH2 ARG A 12 -8.387 -9.746 -3.118 1.00 0.00 N ATOM 0 H ARG A 12 -2.427 -14.993 -1.006 1.00 0.00 H new ATOM 0 HA ARG A 12 -3.994 -12.704 -0.405 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -2.960 -13.196 -2.610 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.040 -14.560 -2.817 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.777 -12.540 -4.084 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.986 -13.110 -2.950 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.192 -11.320 -1.321 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.153 -10.701 -2.588 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.983 -9.743 -3.645 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.258 -12.076 -1.277 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.908 -11.476 -1.477 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.102 -9.043 -3.800 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.368 -9.828 -2.849 1.00 0.00 H new ATOM 174 N ASP A 13 -5.639 -15.508 -0.213 1.00 0.00 N ATOM 175 CA ASP A 13 -6.876 -16.117 0.298 1.00 0.00 C ATOM 176 C ASP A 13 -7.107 -15.818 1.790 1.00 0.00 C ATOM 177 O ASP A 13 -8.242 -15.642 2.223 1.00 0.00 O ATOM 178 CB ASP A 13 -6.792 -17.629 0.058 1.00 0.00 C ATOM 179 CG ASP A 13 -8.116 -18.347 0.381 1.00 0.00 C ATOM 180 OD1 ASP A 13 -9.081 -18.203 -0.403 1.00 0.00 O ATOM 181 OD2 ASP A 13 -8.177 -19.069 1.405 1.00 0.00 O ATOM 0 H ASP A 13 -4.902 -16.189 -0.397 1.00 0.00 H new ATOM 0 HA ASP A 13 -7.726 -15.687 -0.232 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.525 -17.815 -0.982 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.995 -18.048 0.672 1.00 0.00 H new ATOM 185 N GLU A 14 -6.033 -15.723 2.577 1.00 0.00 N ATOM 186 CA GLU A 14 -6.088 -15.367 4.000 1.00 0.00 C ATOM 187 C GLU A 14 -6.382 -13.860 4.190 1.00 0.00 C ATOM 188 O GLU A 14 -7.125 -13.473 5.097 1.00 0.00 O ATOM 189 CB GLU A 14 -4.766 -15.789 4.656 1.00 0.00 C ATOM 190 CG GLU A 14 -4.757 -15.608 6.175 1.00 0.00 C ATOM 191 CD GLU A 14 -3.501 -16.250 6.793 1.00 0.00 C ATOM 192 OE1 GLU A 14 -2.374 -15.801 6.480 1.00 0.00 O ATOM 193 OE2 GLU A 14 -3.640 -17.205 7.591 1.00 0.00 O ATOM 0 H GLU A 14 -5.085 -15.893 2.240 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.908 -15.896 4.485 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.570 -16.835 4.421 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.952 -15.207 4.223 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.786 -14.546 6.420 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.651 -16.059 6.605 1.00 0.00 H new ATOM 198 N LEU A 15 -5.857 -13.017 3.295 1.00 0.00 N ATOM 199 CA LEU A 15 -6.126 -11.587 3.196 1.00 0.00 C ATOM 200 C LEU A 15 -7.572 -11.317 2.782 1.00 0.00 C ATOM 201 O LEU A 15 -8.173 -10.369 3.270 1.00 0.00 O ATOM 202 CB LEU A 15 -5.097 -10.991 2.209 1.00 0.00 C ATOM 203 CG LEU A 15 -5.183 -9.456 2.063 1.00 0.00 C ATOM 204 CD1 LEU A 15 -3.799 -8.849 1.804 1.00 0.00 C ATOM 205 CD2 LEU A 15 -6.108 -9.017 0.920 1.00 0.00 C ATOM 0 H LEU A 15 -5.198 -13.335 2.584 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.015 -11.105 4.167 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.094 -11.259 2.541 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.241 -11.448 1.230 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.593 -9.096 3.007 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.889 -7.767 1.705 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.137 -9.084 2.638 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.386 -9.264 0.885 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.128 -7.929 0.866 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.738 -9.420 -0.023 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.116 -9.390 1.104 1.00 0.00 H new ATOM 216 N ASP A 16 -8.161 -12.163 1.936 1.00 0.00 N ATOM 217 CA ASP A 16 -9.526 -12.014 1.399 1.00 0.00 C ATOM 218 C ASP A 16 -10.617 -11.944 2.481 1.00 0.00 C ATOM 219 O ASP A 16 -11.691 -11.393 2.253 1.00 0.00 O ATOM 220 CB ASP A 16 -9.827 -13.210 0.484 1.00 0.00 C ATOM 221 CG ASP A 16 -10.932 -12.889 -0.528 1.00 0.00 C ATOM 222 OD1 ASP A 16 -10.672 -12.047 -1.419 1.00 0.00 O ATOM 223 OD2 ASP A 16 -12.026 -13.495 -0.457 1.00 0.00 O ATOM 0 H ASP A 16 -7.691 -13.000 1.591 1.00 0.00 H new ATOM 0 HA ASP A 16 -9.549 -11.065 0.863 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -8.920 -13.498 -0.047 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -10.127 -14.065 1.090 1.00 0.00 H new ATOM 227 N ARG A 17 -10.312 -12.497 3.663 1.00 0.00 N ATOM 228 CA ARG A 17 -11.169 -12.517 4.844 1.00 0.00 C ATOM 229 C ARG A 17 -11.204 -11.165 5.581 1.00 0.00 C ATOM 230 O ARG A 17 -12.067 -10.989 6.448 1.00 0.00 O ATOM 231 CB ARG A 17 -10.663 -13.633 5.776 1.00 0.00 C ATOM 232 CG ARG A 17 -10.888 -15.042 5.195 1.00 0.00 C ATOM 233 CD ARG A 17 -9.938 -16.052 5.855 1.00 0.00 C ATOM 234 NE ARG A 17 -10.365 -17.446 5.652 1.00 0.00 N ATOM 235 CZ ARG A 17 -10.032 -18.255 4.651 1.00 0.00 C ATOM 236 NH1 ARG A 17 -9.333 -17.834 3.620 1.00 0.00 N ATOM 237 NH2 ARG A 17 -10.406 -19.513 4.671 1.00 0.00 N ATOM 0 H ARG A 17 -9.419 -12.963 3.823 1.00 0.00 H new ATOM 0 HA ARG A 17 -12.195 -12.708 4.529 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.599 -13.488 5.965 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -11.171 -13.556 6.737 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -11.922 -15.347 5.355 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -10.723 -15.029 4.118 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -8.935 -15.920 5.450 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -9.879 -15.846 6.924 1.00 0.00 H new ATOM 0 HE ARG A 17 -10.987 -17.836 6.360 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -9.030 -16.861 3.572 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -9.094 -18.480 2.868 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -10.952 -19.870 5.455 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -10.150 -20.133 3.903 1.00 0.00 H new ATOM 248 N LEU A 18 -10.304 -10.216 5.273 1.00 0.00 N ATOM 249 CA LEU A 18 -10.367 -8.862 5.860 1.00 0.00 C ATOM 250 C LEU A 18 -11.619 -8.088 5.413 1.00 0.00 C ATOM 251 O LEU A 18 -12.194 -8.378 4.364 1.00 0.00 O ATOM 252 CB LEU A 18 -9.041 -8.082 5.683 1.00 0.00 C ATOM 253 CG LEU A 18 -8.737 -7.370 4.340 1.00 0.00 C ATOM 254 CD1 LEU A 18 -9.519 -6.055 4.124 1.00 0.00 C ATOM 255 CD2 LEU A 18 -7.242 -7.002 4.314 1.00 0.00 C ATOM 0 H LEU A 18 -9.528 -10.357 4.626 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.481 -8.983 6.937 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.002 -7.326 6.467 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.226 -8.780 5.872 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.034 -8.067 3.556 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.246 -5.623 3.161 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.589 -6.261 4.139 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.274 -5.351 4.919 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.007 -6.499 3.376 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.016 -6.338 5.148 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.643 -7.908 4.400 1.00 0.00 H new ATOM 266 N ALA A 19 -12.037 -7.085 6.201 1.00 0.00 N ATOM 267 CA ALA A 19 -13.261 -6.308 5.961 1.00 0.00 C ATOM 268 C ALA A 19 -13.196 -4.888 6.562 1.00 0.00 C ATOM 269 O ALA A 19 -13.880 -4.561 7.536 1.00 0.00 O ATOM 270 CB ALA A 19 -14.476 -7.118 6.444 1.00 0.00 C ATOM 0 H ALA A 19 -11.527 -6.788 7.033 1.00 0.00 H new ATOM 0 HA ALA A 19 -13.366 -6.141 4.889 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -15.387 -6.546 6.269 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -14.527 -8.059 5.896 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -14.376 -7.323 7.510 1.00 0.00 H new ATOM 276 N GLY A 20 -12.359 -4.035 5.965 1.00 0.00 N ATOM 277 CA GLY A 20 -12.256 -2.602 6.278 1.00 0.00 C ATOM 278 C GLY A 20 -11.270 -1.857 5.370 1.00 0.00 C ATOM 279 O GLY A 20 -10.542 -2.522 4.631 1.00 0.00 O ATOM 0 H GLY A 20 -11.715 -4.328 5.230 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -13.241 -2.145 6.187 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -11.945 -2.484 7.316 1.00 0.00 H new ATOM 283 N PRO A 21 -11.237 -0.503 5.394 1.00 0.00 N ATOM 284 CA PRO A 21 -10.300 0.302 4.603 1.00 0.00 C ATOM 285 C PRO A 21 -8.848 -0.074 4.919 1.00 0.00 C ATOM 286 O PRO A 21 -8.365 0.180 6.022 1.00 0.00 O ATOM 287 CB PRO A 21 -10.614 1.766 4.929 1.00 0.00 C ATOM 288 CG PRO A 21 -12.054 1.724 5.430 1.00 0.00 C ATOM 289 CD PRO A 21 -12.140 0.372 6.136 1.00 0.00 C ATOM 0 HA PRO A 21 -10.416 0.122 3.534 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -9.938 2.161 5.687 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.514 2.402 4.050 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -12.267 2.548 6.111 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -12.768 1.796 4.609 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.840 0.453 7.181 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -13.159 -0.014 6.126 1.00 0.00 H new ATOM 294 N THR A 22 -8.167 -0.705 3.957 1.00 0.00 N ATOM 295 CA THR A 22 -6.808 -1.238 4.104 1.00 0.00 C ATOM 296 C THR A 22 -6.021 -0.975 2.833 1.00 0.00 C ATOM 297 O THR A 22 -6.337 -1.515 1.777 1.00 0.00 O ATOM 298 CB THR A 22 -6.827 -2.749 4.388 1.00 0.00 C ATOM 299 OG1 THR A 22 -7.619 -3.008 5.528 1.00 0.00 O ATOM 300 CG2 THR A 22 -5.422 -3.292 4.680 1.00 0.00 C ATOM 0 H THR A 22 -8.557 -0.864 3.028 1.00 0.00 H new ATOM 0 HA THR A 22 -6.336 -0.737 4.949 1.00 0.00 H new ATOM 0 HB THR A 22 -7.228 -3.236 3.499 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.565 -2.885 5.304 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.479 -4.363 4.875 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.777 -3.114 3.819 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.010 -2.785 5.553 1.00 0.00 H new ATOM 308 N LEU A 23 -4.964 -0.177 2.930 1.00 0.00 N ATOM 309 CA LEU A 23 -3.984 -0.017 1.862 1.00 0.00 C ATOM 310 C LEU A 23 -2.925 -1.123 1.963 1.00 0.00 C ATOM 311 O LEU A 23 -2.334 -1.315 3.022 1.00 0.00 O ATOM 312 CB LEU A 23 -3.404 1.408 1.940 1.00 0.00 C ATOM 313 CG LEU A 23 -2.424 1.735 0.799 1.00 0.00 C ATOM 314 CD1 LEU A 23 -3.088 1.509 -0.557 1.00 0.00 C ATOM 315 CD2 LEU A 23 -1.914 3.164 0.927 1.00 0.00 C ATOM 0 H LEU A 23 -4.761 0.382 3.759 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.441 -0.127 0.879 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.223 2.127 1.922 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.892 1.532 2.894 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.568 1.064 0.872 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.381 1.745 -1.352 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.395 0.467 -0.642 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.962 2.154 -0.646 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.222 3.378 0.112 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.755 3.856 0.880 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.399 3.283 1.880 1.00 0.00 H new ATOM 326 N VAL A 24 -2.692 -1.852 0.871 1.00 0.00 N ATOM 327 CA VAL A 24 -1.664 -2.898 0.781 1.00 0.00 C ATOM 328 C VAL A 24 -0.524 -2.401 -0.115 1.00 0.00 C ATOM 329 O VAL A 24 -0.732 -2.207 -1.307 1.00 0.00 O ATOM 330 CB VAL A 24 -2.248 -4.238 0.265 1.00 0.00 C ATOM 331 CG1 VAL A 24 -1.201 -5.354 0.365 1.00 0.00 C ATOM 332 CG2 VAL A 24 -3.502 -4.667 1.051 1.00 0.00 C ATOM 0 H VAL A 24 -3.220 -1.732 0.007 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.276 -3.098 1.780 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.529 -4.076 -0.775 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.628 -6.287 -0.001 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.331 -5.092 -0.237 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.899 -5.477 1.405 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.875 -5.611 0.654 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.247 -4.792 2.103 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.272 -3.902 0.953 1.00 0.00 H new ATOM 342 N GLU A 25 0.641 -2.157 0.485 1.00 0.00 N ATOM 343 CA GLU A 25 1.827 -1.547 -0.127 1.00 0.00 C ATOM 344 C GLU A 25 2.920 -2.583 -0.407 1.00 0.00 C ATOM 345 O GLU A 25 3.307 -3.321 0.492 1.00 0.00 O ATOM 346 CB GLU A 25 2.335 -0.427 0.802 1.00 0.00 C ATOM 347 CG GLU A 25 3.781 0.010 0.552 1.00 0.00 C ATOM 348 CD GLU A 25 4.090 1.417 1.076 1.00 0.00 C ATOM 349 OE1 GLU A 25 3.883 2.382 0.309 1.00 0.00 O ATOM 350 OE2 GLU A 25 4.601 1.556 2.214 1.00 0.00 O ATOM 0 H GLU A 25 0.794 -2.392 1.466 1.00 0.00 H new ATOM 0 HA GLU A 25 1.555 -1.125 -1.094 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.684 0.440 0.691 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.246 -0.763 1.835 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.456 -0.703 1.026 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.983 -0.024 -0.519 1.00 0.00 H new ATOM 355 N PHE A 26 3.442 -2.599 -1.633 1.00 0.00 N ATOM 356 CA PHE A 26 4.459 -3.536 -2.109 1.00 0.00 C ATOM 357 C PHE A 26 5.809 -2.835 -2.311 1.00 0.00 C ATOM 358 O PHE A 26 5.871 -1.721 -2.834 1.00 0.00 O ATOM 359 CB PHE A 26 3.958 -4.197 -3.400 1.00 0.00 C ATOM 360 CG PHE A 26 2.630 -4.905 -3.217 1.00 0.00 C ATOM 361 CD1 PHE A 26 2.593 -6.185 -2.632 1.00 0.00 C ATOM 362 CD2 PHE A 26 1.423 -4.261 -3.557 1.00 0.00 C ATOM 363 CE1 PHE A 26 1.362 -6.803 -2.358 1.00 0.00 C ATOM 364 CE2 PHE A 26 0.192 -4.890 -3.303 1.00 0.00 C ATOM 365 CZ PHE A 26 0.164 -6.151 -2.689 1.00 0.00 C ATOM 0 H PHE A 26 3.156 -1.933 -2.351 1.00 0.00 H new ATOM 0 HA PHE A 26 4.624 -4.309 -1.358 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.857 -3.438 -4.176 1.00 0.00 H new ATOM 0 HB3 PHE A 26 4.702 -4.913 -3.749 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.515 -6.694 -2.393 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.444 -3.282 -4.014 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.337 -7.778 -1.894 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.731 -4.403 -3.580 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.783 -6.622 -2.470 1.00 0.00 H new ATOM 374 N GLY A 27 6.888 -3.499 -1.889 1.00 0.00 N ATOM 375 CA GLY A 27 8.253 -2.975 -1.911 1.00 0.00 C ATOM 376 C GLY A 27 9.153 -3.665 -0.885 1.00 0.00 C ATOM 377 O GLY A 27 8.946 -4.842 -0.591 1.00 0.00 O ATOM 0 H GLY A 27 6.832 -4.445 -1.511 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.675 -3.106 -2.908 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.232 -1.904 -1.712 1.00 0.00 H new ATOM 381 N THR A 28 10.140 -2.946 -0.342 1.00 0.00 N ATOM 382 CA THR A 28 10.986 -3.349 0.802 1.00 0.00 C ATOM 383 C THR A 28 11.290 -2.136 1.678 1.00 0.00 C ATOM 384 O THR A 28 10.933 -1.008 1.345 1.00 0.00 O ATOM 385 CB THR A 28 12.295 -4.011 0.349 1.00 0.00 C ATOM 386 OG1 THR A 28 13.057 -3.101 -0.415 1.00 0.00 O ATOM 387 CG2 THR A 28 12.043 -5.291 -0.444 1.00 0.00 C ATOM 0 H THR A 28 10.388 -2.023 -0.699 1.00 0.00 H new ATOM 0 HA THR A 28 10.428 -4.088 1.377 1.00 0.00 H new ATOM 0 HB THR A 28 12.853 -4.288 1.243 1.00 0.00 H new ATOM 0 HG1 THR A 28 14.011 -3.295 -0.299 1.00 0.00 H new ATOM 0 HG21 THR A 28 12.996 -5.726 -0.745 1.00 0.00 H new ATOM 0 HG22 THR A 28 11.499 -6.003 0.177 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.454 -5.059 -1.331 1.00 0.00 H new ATOM 395 N ASP A 29 11.973 -2.338 2.803 1.00 0.00 N ATOM 396 CA ASP A 29 12.387 -1.219 3.667 1.00 0.00 C ATOM 397 C ASP A 29 13.633 -0.488 3.142 1.00 0.00 C ATOM 398 O ASP A 29 13.983 0.567 3.668 1.00 0.00 O ATOM 399 CB ASP A 29 12.559 -1.703 5.114 1.00 0.00 C ATOM 400 CG ASP A 29 13.686 -2.734 5.281 1.00 0.00 C ATOM 401 OD1 ASP A 29 13.411 -3.945 5.121 1.00 0.00 O ATOM 402 OD2 ASP A 29 14.828 -2.330 5.609 1.00 0.00 O ATOM 0 H ASP A 29 12.253 -3.258 3.142 1.00 0.00 H new ATOM 0 HA ASP A 29 11.590 -0.475 3.649 1.00 0.00 H new ATOM 0 HB2 ASP A 29 12.763 -0.845 5.755 1.00 0.00 H new ATOM 0 HB3 ASP A 29 11.622 -2.141 5.457 1.00 0.00 H new ATOM 406 N TRP A 30 14.273 -1.019 2.091 1.00 0.00 N ATOM 407 CA TRP A 30 15.633 -0.661 1.679 1.00 0.00 C ATOM 408 C TRP A 30 15.804 -0.203 0.212 1.00 0.00 C ATOM 409 O TRP A 30 16.817 0.434 -0.084 1.00 0.00 O ATOM 410 CB TRP A 30 16.539 -1.856 2.021 1.00 0.00 C ATOM 411 CG TRP A 30 16.116 -3.211 1.541 1.00 0.00 C ATOM 412 CD1 TRP A 30 15.563 -4.176 2.306 1.00 0.00 C ATOM 413 CD2 TRP A 30 16.260 -3.788 0.210 1.00 0.00 C ATOM 414 NE1 TRP A 30 15.347 -5.308 1.545 1.00 0.00 N ATOM 415 CE2 TRP A 30 15.752 -5.123 0.241 1.00 0.00 C ATOM 416 CE3 TRP A 30 16.775 -3.320 -1.016 1.00 0.00 C ATOM 417 CZ2 TRP A 30 15.741 -5.943 -0.897 1.00 0.00 C ATOM 418 CZ3 TRP A 30 16.772 -4.134 -2.165 1.00 0.00 C ATOM 419 CH2 TRP A 30 16.257 -5.442 -2.107 1.00 0.00 C ATOM 0 H TRP A 30 13.847 -1.726 1.491 1.00 0.00 H new ATOM 0 HA TRP A 30 15.916 0.236 2.230 1.00 0.00 H new ATOM 0 HB2 TRP A 30 17.530 -1.652 1.617 1.00 0.00 H new ATOM 0 HB3 TRP A 30 16.640 -1.901 3.105 1.00 0.00 H new ATOM 0 HD1 TRP A 30 15.325 -4.078 3.355 1.00 0.00 H new ATOM 0 HE1 TRP A 30 14.939 -6.172 1.903 1.00 0.00 H new ATOM 0 HE3 TRP A 30 17.179 -2.320 -1.075 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 15.342 -6.945 -0.846 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 17.167 -3.753 -3.095 1.00 0.00 H new ATOM 0 HH2 TRP A 30 16.258 -6.062 -2.991 1.00 0.00 H new ATOM 429 N CYS A 31 14.850 -0.464 -0.700 1.00 0.00 N ATOM 430 CA CYS A 31 14.954 0.006 -2.092 1.00 0.00 C ATOM 431 C CYS A 31 14.849 1.546 -2.192 1.00 0.00 C ATOM 432 O CYS A 31 14.081 2.164 -1.450 1.00 0.00 O ATOM 433 CB CYS A 31 13.886 -0.676 -2.961 1.00 0.00 C ATOM 434 SG CYS A 31 14.099 -0.197 -4.708 1.00 0.00 S ATOM 0 H CYS A 31 14.003 -0.995 -0.499 1.00 0.00 H new ATOM 0 HA CYS A 31 15.941 -0.269 -2.465 1.00 0.00 H new ATOM 0 HB2 CYS A 31 13.962 -1.759 -2.861 1.00 0.00 H new ATOM 0 HB3 CYS A 31 12.891 -0.393 -2.617 1.00 0.00 H new ATOM 0 HG CYS A 31 13.336 -0.937 -5.457 1.00 0.00 H new ATOM 439 N GLY A 32 15.570 2.154 -3.143 1.00 0.00 N ATOM 440 CA GLY A 32 15.581 3.598 -3.411 1.00 0.00 C ATOM 441 C GLY A 32 14.231 4.136 -3.884 1.00 0.00 C ATOM 442 O GLY A 32 13.897 5.273 -3.559 1.00 0.00 O ATOM 0 H GLY A 32 16.184 1.635 -3.770 1.00 0.00 H new ATOM 0 HA2 GLY A 32 15.877 4.126 -2.505 1.00 0.00 H new ATOM 0 HA3 GLY A 32 16.336 3.814 -4.167 1.00 0.00 H new ATOM 446 N HIS A 33 13.420 3.316 -4.567 1.00 0.00 N ATOM 447 CA HIS A 33 12.016 3.654 -4.837 1.00 0.00 C ATOM 448 C HIS A 33 11.221 3.767 -3.525 1.00 0.00 C ATOM 449 O HIS A 33 10.518 4.753 -3.300 1.00 0.00 O ATOM 450 CB HIS A 33 11.386 2.573 -5.733 1.00 0.00 C ATOM 451 CG HIS A 33 11.558 2.761 -7.220 1.00 0.00 C ATOM 452 ND1 HIS A 33 11.606 1.757 -8.157 1.00 0.00 N ATOM 453 CD2 HIS A 33 11.445 3.938 -7.913 1.00 0.00 C ATOM 454 CE1 HIS A 33 11.533 2.313 -9.380 1.00 0.00 C ATOM 455 NE2 HIS A 33 11.430 3.654 -9.287 1.00 0.00 N ATOM 0 H HIS A 33 13.713 2.414 -4.942 1.00 0.00 H new ATOM 0 HA HIS A 33 11.983 4.617 -5.346 1.00 0.00 H new ATOM 0 HB2 HIS A 33 11.812 1.608 -5.458 1.00 0.00 H new ATOM 0 HB3 HIS A 33 10.319 2.525 -5.514 1.00 0.00 H new ATOM 0 HD1 HIS A 33 11.684 0.759 -7.959 1.00 0.00 H new ATOM 0 HD2 HIS A 33 11.378 4.922 -7.474 1.00 0.00 H new ATOM 0 HE1 HIS A 33 11.554 1.761 -10.308 1.00 0.00 H new ATOM 463 N CYS A 34 11.387 2.803 -2.618 1.00 0.00 N ATOM 464 CA CYS A 34 10.751 2.835 -1.309 1.00 0.00 C ATOM 465 C CYS A 34 11.201 4.016 -0.454 1.00 0.00 C ATOM 466 O CYS A 34 10.375 4.600 0.232 1.00 0.00 O ATOM 467 CB CYS A 34 11.011 1.515 -0.593 1.00 0.00 C ATOM 468 SG CYS A 34 9.712 0.356 -1.108 1.00 0.00 S ATOM 0 H CYS A 34 11.968 1.979 -2.775 1.00 0.00 H new ATOM 0 HA CYS A 34 9.681 2.970 -1.464 1.00 0.00 H new ATOM 0 HB2 CYS A 34 11.996 1.126 -0.850 1.00 0.00 H new ATOM 0 HB3 CYS A 34 10.995 1.655 0.488 1.00 0.00 H new ATOM 0 HG CYS A 34 10.176 -0.435 -2.030 1.00 0.00 H new ATOM 473 N GLN A 35 12.469 4.423 -0.501 1.00 0.00 N ATOM 474 CA GLN A 35 12.945 5.547 0.318 1.00 0.00 C ATOM 475 C GLN A 35 12.299 6.882 -0.086 1.00 0.00 C ATOM 476 O GLN A 35 12.253 7.819 0.708 1.00 0.00 O ATOM 477 CB GLN A 35 14.469 5.703 0.240 1.00 0.00 C ATOM 478 CG GLN A 35 15.289 4.450 0.543 1.00 0.00 C ATOM 479 CD GLN A 35 14.818 3.651 1.751 1.00 0.00 C ATOM 480 OE1 GLN A 35 14.981 4.042 2.901 1.00 0.00 O ATOM 481 NE2 GLN A 35 14.230 2.496 1.535 1.00 0.00 N ATOM 0 H GLN A 35 13.184 3.998 -1.092 1.00 0.00 H new ATOM 0 HA GLN A 35 12.652 5.306 1.340 1.00 0.00 H new ATOM 0 HB2 GLN A 35 14.728 6.049 -0.761 1.00 0.00 H new ATOM 0 HB3 GLN A 35 14.770 6.486 0.936 1.00 0.00 H new ATOM 0 HG2 GLN A 35 15.271 3.801 -0.333 1.00 0.00 H new ATOM 0 HG3 GLN A 35 16.327 4.742 0.702 1.00 0.00 H new ATOM 0 HE21 GLN A 35 14.091 2.165 0.580 1.00 0.00 H new ATOM 0 HE22 GLN A 35 13.912 1.930 2.322 1.00 0.00 H new ATOM 488 N ALA A 36 11.785 6.957 -1.317 1.00 0.00 N ATOM 489 CA ALA A 36 11.019 8.087 -1.848 1.00 0.00 C ATOM 490 C ALA A 36 9.511 7.968 -1.555 1.00 0.00 C ATOM 491 O ALA A 36 8.873 8.964 -1.214 1.00 0.00 O ATOM 492 CB ALA A 36 11.298 8.191 -3.350 1.00 0.00 C ATOM 0 H ALA A 36 11.895 6.204 -1.996 1.00 0.00 H new ATOM 0 HA ALA A 36 11.339 9.001 -1.347 1.00 0.00 H new ATOM 0 HB1 ALA A 36 10.737 9.027 -3.767 1.00 0.00 H new ATOM 0 HB2 ALA A 36 12.364 8.352 -3.512 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.992 7.268 -3.842 1.00 0.00 H new ATOM 498 N ALA A 37 8.936 6.763 -1.663 1.00 0.00 N ATOM 499 CA ALA A 37 7.502 6.537 -1.445 1.00 0.00 C ATOM 500 C ALA A 37 7.120 6.425 0.042 1.00 0.00 C ATOM 501 O ALA A 37 6.021 6.822 0.417 1.00 0.00 O ATOM 502 CB ALA A 37 7.075 5.285 -2.219 1.00 0.00 C ATOM 0 H ALA A 37 9.453 5.917 -1.904 1.00 0.00 H new ATOM 0 HA ALA A 37 6.967 7.411 -1.816 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.011 5.107 -2.064 1.00 0.00 H new ATOM 0 HB2 ALA A 37 7.268 5.431 -3.282 1.00 0.00 H new ATOM 0 HB3 ALA A 37 7.642 4.425 -1.862 1.00 0.00 H new ATOM 508 N GLN A 38 8.021 5.944 0.903 1.00 0.00 N ATOM 509 CA GLN A 38 7.806 5.837 2.348 1.00 0.00 C ATOM 510 C GLN A 38 7.454 7.193 3.002 1.00 0.00 C ATOM 511 O GLN A 38 6.386 7.272 3.619 1.00 0.00 O ATOM 512 CB GLN A 38 9.038 5.218 3.023 1.00 0.00 C ATOM 513 CG GLN A 38 9.085 3.683 2.942 1.00 0.00 C ATOM 514 CD GLN A 38 10.404 3.122 3.490 1.00 0.00 C ATOM 515 OE1 GLN A 38 11.083 3.736 4.306 1.00 0.00 O ATOM 516 NE2 GLN A 38 10.824 1.942 3.090 1.00 0.00 N ATOM 0 H GLN A 38 8.939 5.611 0.609 1.00 0.00 H new ATOM 0 HA GLN A 38 6.945 5.185 2.496 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.937 5.625 2.560 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.056 5.518 4.071 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.251 3.264 3.504 1.00 0.00 H new ATOM 0 HG3 GLN A 38 8.960 3.370 1.905 1.00 0.00 H new ATOM 0 HE21 GLN A 38 10.279 1.410 2.412 1.00 0.00 H new ATOM 0 HE22 GLN A 38 11.695 1.559 3.458 1.00 0.00 H new ATOM 523 N PRO A 39 8.274 8.259 2.870 1.00 0.00 N ATOM 524 CA PRO A 39 7.939 9.576 3.416 1.00 0.00 C ATOM 525 C PRO A 39 6.760 10.229 2.678 1.00 0.00 C ATOM 526 O PRO A 39 6.114 11.108 3.239 1.00 0.00 O ATOM 527 CB PRO A 39 9.214 10.418 3.298 1.00 0.00 C ATOM 528 CG PRO A 39 9.924 9.811 2.094 1.00 0.00 C ATOM 529 CD PRO A 39 9.585 8.324 2.230 1.00 0.00 C ATOM 0 HA PRO A 39 7.612 9.492 4.452 1.00 0.00 H new ATOM 0 HB2 PRO A 39 8.987 11.473 3.142 1.00 0.00 H new ATOM 0 HB3 PRO A 39 9.824 10.354 4.199 1.00 0.00 H new ATOM 0 HG2 PRO A 39 9.559 10.227 1.155 1.00 0.00 H new ATOM 0 HG3 PRO A 39 10.999 9.987 2.125 1.00 0.00 H new ATOM 0 HD2 PRO A 39 9.566 7.839 1.254 1.00 0.00 H new ATOM 0 HD3 PRO A 39 10.336 7.807 2.828 1.00 0.00 H new ATOM 534 N LEU A 40 6.439 9.774 1.461 1.00 0.00 N ATOM 535 CA LEU A 40 5.243 10.192 0.725 1.00 0.00 C ATOM 536 C LEU A 40 4.009 9.713 1.473 1.00 0.00 C ATOM 537 O LEU A 40 3.195 10.539 1.890 1.00 0.00 O ATOM 538 CB LEU A 40 5.273 9.609 -0.704 1.00 0.00 C ATOM 539 CG LEU A 40 4.972 10.559 -1.870 1.00 0.00 C ATOM 540 CD1 LEU A 40 3.737 11.424 -1.605 1.00 0.00 C ATOM 541 CD2 LEU A 40 6.169 11.436 -2.247 1.00 0.00 C ATOM 0 H LEU A 40 7.010 9.097 0.955 1.00 0.00 H new ATOM 0 HA LEU A 40 5.216 11.279 0.649 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.260 9.178 -0.869 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.556 8.789 -0.746 1.00 0.00 H new ATOM 0 HG LEU A 40 4.759 9.915 -2.723 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.563 12.081 -2.458 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.868 10.782 -1.458 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.899 12.026 -0.711 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.896 12.087 -3.078 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.459 12.044 -1.390 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.005 10.803 -2.542 1.00 0.00 H new ATOM 552 N LEU A 41 3.913 8.393 1.695 1.00 0.00 N ATOM 553 CA LEU A 41 2.825 7.751 2.429 1.00 0.00 C ATOM 554 C LEU A 41 2.732 8.363 3.819 1.00 0.00 C ATOM 555 O LEU A 41 1.656 8.784 4.203 1.00 0.00 O ATOM 556 CB LEU A 41 2.966 6.215 2.479 1.00 0.00 C ATOM 557 CG LEU A 41 2.273 5.426 1.335 1.00 0.00 C ATOM 558 CD1 LEU A 41 0.803 5.798 1.127 1.00 0.00 C ATOM 559 CD2 LEU A 41 3.092 5.554 0.051 1.00 0.00 C ATOM 0 H LEU A 41 4.611 7.730 1.358 1.00 0.00 H new ATOM 0 HA LEU A 41 1.893 7.936 1.895 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.028 5.968 2.472 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.564 5.865 3.430 1.00 0.00 H new ATOM 0 HG LEU A 41 2.246 4.379 1.635 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.389 5.205 0.311 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.244 5.598 2.041 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.727 6.857 0.880 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.603 4.999 -0.749 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.167 6.605 -0.229 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.091 5.150 0.215 1.00 0.00 H new ATOM 570 N ALA A 42 3.854 8.524 4.520 1.00 0.00 N ATOM 571 CA ALA A 42 3.897 9.139 5.848 1.00 0.00 C ATOM 572 C ALA A 42 3.266 10.547 5.893 1.00 0.00 C ATOM 573 O ALA A 42 2.569 10.873 6.860 1.00 0.00 O ATOM 574 CB ALA A 42 5.354 9.159 6.317 1.00 0.00 C ATOM 0 H ALA A 42 4.769 8.228 4.179 1.00 0.00 H new ATOM 0 HA ALA A 42 3.288 8.540 6.525 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.412 9.614 7.306 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.735 8.139 6.364 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.954 9.739 5.616 1.00 0.00 H new ATOM 580 N GLU A 43 3.461 11.363 4.848 1.00 0.00 N ATOM 581 CA GLU A 43 2.881 12.706 4.752 1.00 0.00 C ATOM 582 C GLU A 43 1.368 12.661 4.501 1.00 0.00 C ATOM 583 O GLU A 43 0.629 13.374 5.176 1.00 0.00 O ATOM 584 CB GLU A 43 3.575 13.520 3.656 1.00 0.00 C ATOM 585 CG GLU A 43 4.965 14.015 4.072 1.00 0.00 C ATOM 586 CD GLU A 43 4.889 15.253 4.988 1.00 0.00 C ATOM 587 OE1 GLU A 43 4.737 16.385 4.474 1.00 0.00 O ATOM 588 OE2 GLU A 43 5.007 15.103 6.227 1.00 0.00 O ATOM 0 H GLU A 43 4.030 11.106 4.041 1.00 0.00 H new ATOM 0 HA GLU A 43 3.043 13.195 5.713 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.666 12.908 2.758 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.952 14.376 3.397 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.495 13.215 4.588 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.544 14.258 3.181 1.00 0.00 H new ATOM 593 N VAL A 44 0.894 11.824 3.572 1.00 0.00 N ATOM 594 CA VAL A 44 -0.552 11.666 3.308 1.00 0.00 C ATOM 595 C VAL A 44 -1.292 11.029 4.499 1.00 0.00 C ATOM 596 O VAL A 44 -2.300 11.572 4.953 1.00 0.00 O ATOM 597 CB VAL A 44 -0.841 10.944 1.970 1.00 0.00 C ATOM 598 CG1 VAL A 44 -0.092 9.649 1.738 1.00 0.00 C ATOM 599 CG2 VAL A 44 -2.320 10.622 1.787 1.00 0.00 C ATOM 0 H VAL A 44 1.489 11.240 2.984 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.956 12.672 3.194 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.488 11.679 1.246 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.374 9.234 0.770 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.981 9.842 1.751 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.343 8.938 2.525 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.467 10.116 0.833 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.654 9.973 2.597 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.898 11.546 1.801 1.00 0.00 H new ATOM 609 N PHE A 45 -0.776 9.918 5.040 1.00 0.00 N ATOM 610 CA PHE A 45 -1.406 9.131 6.117 1.00 0.00 C ATOM 611 C PHE A 45 -1.614 9.913 7.423 1.00 0.00 C ATOM 612 O PHE A 45 -2.493 9.560 8.207 1.00 0.00 O ATOM 613 CB PHE A 45 -0.597 7.850 6.415 1.00 0.00 C ATOM 614 CG PHE A 45 -1.357 6.569 6.162 1.00 0.00 C ATOM 615 CD1 PHE A 45 -2.496 6.307 6.934 1.00 0.00 C ATOM 616 CD2 PHE A 45 -0.948 5.654 5.171 1.00 0.00 C ATOM 617 CE1 PHE A 45 -3.249 5.150 6.696 1.00 0.00 C ATOM 618 CE2 PHE A 45 -1.690 4.477 4.956 1.00 0.00 C ATOM 619 CZ PHE A 45 -2.850 4.232 5.709 1.00 0.00 C ATOM 0 H PHE A 45 0.116 9.528 4.735 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.395 8.873 5.738 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.305 7.852 5.803 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.276 7.870 7.456 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.793 6.996 7.711 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.068 5.855 4.578 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -4.142 4.962 7.274 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.367 3.763 4.213 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.434 3.341 5.530 1.00 0.00 H new ATOM 628 N SER A 46 -0.837 10.974 7.654 1.00 0.00 N ATOM 629 CA SER A 46 -0.987 11.851 8.821 1.00 0.00 C ATOM 630 C SER A 46 -2.368 12.543 8.886 1.00 0.00 C ATOM 631 O SER A 46 -2.769 12.991 9.960 1.00 0.00 O ATOM 632 CB SER A 46 0.126 12.905 8.837 1.00 0.00 C ATOM 633 OG SER A 46 1.408 12.327 9.084 1.00 0.00 O ATOM 0 H SER A 46 -0.079 11.252 7.031 1.00 0.00 H new ATOM 0 HA SER A 46 -0.910 11.214 9.702 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.143 13.429 7.881 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.090 13.649 9.604 1.00 0.00 H new ATOM 0 HG SER A 46 1.716 11.858 8.280 1.00 0.00 H new ATOM 638 N ASP A 47 -3.115 12.601 7.774 1.00 0.00 N ATOM 639 CA ASP A 47 -4.487 13.140 7.706 1.00 0.00 C ATOM 640 C ASP A 47 -5.587 12.053 7.620 1.00 0.00 C ATOM 641 O ASP A 47 -6.769 12.372 7.737 1.00 0.00 O ATOM 642 CB ASP A 47 -4.577 14.104 6.512 1.00 0.00 C ATOM 643 CG ASP A 47 -5.754 15.082 6.631 1.00 0.00 C ATOM 644 OD1 ASP A 47 -5.795 15.847 7.625 1.00 0.00 O ATOM 645 OD2 ASP A 47 -6.604 15.134 5.711 1.00 0.00 O ATOM 0 H ASP A 47 -2.776 12.266 6.872 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.679 13.664 8.642 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.647 14.668 6.434 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.679 13.529 5.592 1.00 0.00 H new ATOM 649 N TYR A 48 -5.214 10.776 7.447 1.00 0.00 N ATOM 650 CA TYR A 48 -6.130 9.617 7.313 1.00 0.00 C ATOM 651 C TYR A 48 -5.814 8.412 8.243 1.00 0.00 C ATOM 652 O TYR A 48 -5.847 7.261 7.785 1.00 0.00 O ATOM 653 CB TYR A 48 -6.188 9.175 5.836 1.00 0.00 C ATOM 654 CG TYR A 48 -6.405 10.317 4.857 1.00 0.00 C ATOM 655 CD1 TYR A 48 -7.678 10.898 4.732 1.00 0.00 C ATOM 656 CD2 TYR A 48 -5.316 10.838 4.134 1.00 0.00 C ATOM 657 CE1 TYR A 48 -7.865 12.007 3.886 1.00 0.00 C ATOM 658 CE2 TYR A 48 -5.487 11.976 3.322 1.00 0.00 C ATOM 659 CZ TYR A 48 -6.764 12.566 3.197 1.00 0.00 C ATOM 660 OH TYR A 48 -6.921 13.683 2.439 1.00 0.00 O ATOM 0 H TYR A 48 -4.232 10.505 7.394 1.00 0.00 H new ATOM 0 HA TYR A 48 -7.107 9.966 7.648 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -5.258 8.665 5.583 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.992 8.449 5.716 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -8.513 10.494 5.285 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -4.348 10.365 4.202 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -8.850 12.432 3.763 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.643 12.397 2.796 1.00 0.00 H new ATOM 0 HH TYR A 48 -6.061 13.930 2.038 1.00 0.00 H new ATOM 669 N PRO A 49 -5.525 8.615 9.548 1.00 0.00 N ATOM 670 CA PRO A 49 -5.068 7.557 10.459 1.00 0.00 C ATOM 671 C PRO A 49 -6.087 6.430 10.701 1.00 0.00 C ATOM 672 O PRO A 49 -5.706 5.372 11.202 1.00 0.00 O ATOM 673 CB PRO A 49 -4.714 8.269 11.768 1.00 0.00 C ATOM 674 CG PRO A 49 -5.603 9.507 11.757 1.00 0.00 C ATOM 675 CD PRO A 49 -5.616 9.874 10.275 1.00 0.00 C ATOM 0 HA PRO A 49 -4.220 7.040 10.011 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.916 7.639 12.634 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.658 8.535 11.806 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -6.604 9.294 12.134 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.194 10.308 12.372 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.528 10.410 10.014 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.780 10.528 10.028 1.00 0.00 H new ATOM 680 N GLU A 50 -7.367 6.612 10.340 1.00 0.00 N ATOM 681 CA GLU A 50 -8.386 5.558 10.405 1.00 0.00 C ATOM 682 C GLU A 50 -8.265 4.497 9.291 1.00 0.00 C ATOM 683 O GLU A 50 -8.872 3.429 9.409 1.00 0.00 O ATOM 684 CB GLU A 50 -9.795 6.159 10.446 1.00 0.00 C ATOM 685 CG GLU A 50 -10.250 6.895 9.181 1.00 0.00 C ATOM 686 CD GLU A 50 -9.913 8.390 9.233 1.00 0.00 C ATOM 687 OE1 GLU A 50 -8.713 8.725 9.128 1.00 0.00 O ATOM 688 OE2 GLU A 50 -10.839 9.222 9.387 1.00 0.00 O ATOM 0 H GLU A 50 -7.724 7.502 9.993 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.201 5.025 11.337 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.504 5.357 10.651 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.848 6.853 11.285 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.774 6.446 8.309 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -11.326 6.770 9.056 1.00 0.00 H new ATOM 693 N VAL A 51 -7.484 4.749 8.230 1.00 0.00 N ATOM 694 CA VAL A 51 -7.177 3.745 7.190 1.00 0.00 C ATOM 695 C VAL A 51 -6.062 2.812 7.713 1.00 0.00 C ATOM 696 O VAL A 51 -5.185 3.241 8.466 1.00 0.00 O ATOM 697 CB VAL A 51 -6.822 4.424 5.835 1.00 0.00 C ATOM 698 CG1 VAL A 51 -6.576 3.411 4.705 1.00 0.00 C ATOM 699 CG2 VAL A 51 -7.947 5.364 5.373 1.00 0.00 C ATOM 0 H VAL A 51 -7.045 5.655 8.065 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.058 3.137 6.986 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.903 4.979 6.025 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.333 3.944 3.786 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.747 2.758 4.976 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.474 2.813 4.551 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.670 5.824 4.424 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.868 4.795 5.246 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.102 6.141 6.121 1.00 0.00 H new ATOM 709 N GLY A 52 -6.090 1.523 7.351 1.00 0.00 N ATOM 710 CA GLY A 52 -5.043 0.545 7.679 1.00 0.00 C ATOM 711 C GLY A 52 -3.926 0.514 6.628 1.00 0.00 C ATOM 712 O GLY A 52 -4.170 0.814 5.460 1.00 0.00 O ATOM 0 H GLY A 52 -6.857 1.122 6.811 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.616 0.786 8.653 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.488 -0.446 7.762 1.00 0.00 H new ATOM 716 N HIS A 53 -2.706 0.114 6.996 1.00 0.00 N ATOM 717 CA HIS A 53 -1.585 -0.025 6.051 1.00 0.00 C ATOM 718 C HIS A 53 -0.790 -1.322 6.280 1.00 0.00 C ATOM 719 O HIS A 53 -0.289 -1.555 7.383 1.00 0.00 O ATOM 720 CB HIS A 53 -0.656 1.200 6.162 1.00 0.00 C ATOM 721 CG HIS A 53 0.230 1.448 4.959 1.00 0.00 C ATOM 722 ND1 HIS A 53 1.448 2.102 4.947 1.00 0.00 N ATOM 723 CD2 HIS A 53 -0.064 1.154 3.654 1.00 0.00 C ATOM 724 CE1 HIS A 53 1.862 2.188 3.666 1.00 0.00 C ATOM 725 NE2 HIS A 53 0.963 1.628 2.847 1.00 0.00 N ATOM 0 H HIS A 53 -2.463 -0.124 7.958 1.00 0.00 H new ATOM 0 HA HIS A 53 -2.003 -0.079 5.046 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -1.268 2.086 6.331 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.023 1.077 7.041 1.00 0.00 H new ATOM 0 HD1 HIS A 53 1.946 2.457 5.763 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -0.948 0.639 3.309 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.787 2.644 3.346 1.00 0.00 H new ATOM 733 N LEU A 54 -0.643 -2.144 5.238 1.00 0.00 N ATOM 734 CA LEU A 54 0.144 -3.382 5.245 1.00 0.00 C ATOM 735 C LEU A 54 1.365 -3.203 4.331 1.00 0.00 C ATOM 736 O LEU A 54 1.229 -3.123 3.111 1.00 0.00 O ATOM 737 CB LEU A 54 -0.767 -4.542 4.791 1.00 0.00 C ATOM 738 CG LEU A 54 -0.392 -5.932 5.336 1.00 0.00 C ATOM 739 CD1 LEU A 54 -1.240 -6.993 4.617 1.00 0.00 C ATOM 740 CD2 LEU A 54 1.092 -6.297 5.192 1.00 0.00 C ATOM 0 H LEU A 54 -1.083 -1.961 4.336 1.00 0.00 H new ATOM 0 HA LEU A 54 0.514 -3.615 6.243 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.790 -4.317 5.092 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.757 -4.583 3.702 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.592 -5.902 6.407 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.983 -7.982 4.995 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.297 -6.799 4.799 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.043 -6.952 3.546 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.263 -7.292 5.602 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.369 -6.287 4.138 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.699 -5.572 5.734 1.00 0.00 H new ATOM 751 N LYS A 55 2.569 -3.164 4.908 1.00 0.00 N ATOM 752 CA LYS A 55 3.824 -3.126 4.152 1.00 0.00 C ATOM 753 C LYS A 55 4.259 -4.544 3.755 1.00 0.00 C ATOM 754 O LYS A 55 4.809 -5.267 4.581 1.00 0.00 O ATOM 755 CB LYS A 55 4.926 -2.445 4.979 1.00 0.00 C ATOM 756 CG LYS A 55 4.785 -0.933 5.198 1.00 0.00 C ATOM 757 CD LYS A 55 3.948 -0.515 6.421 1.00 0.00 C ATOM 758 CE LYS A 55 4.480 -1.064 7.756 1.00 0.00 C ATOM 759 NZ LYS A 55 3.712 -0.543 8.917 1.00 0.00 N ATOM 0 H LYS A 55 2.701 -3.158 5.919 1.00 0.00 H new ATOM 0 HA LYS A 55 3.659 -2.547 3.243 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.967 -2.928 5.955 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.883 -2.631 4.491 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.782 -0.504 5.298 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.337 -0.495 4.306 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.917 0.573 6.473 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.922 -0.857 6.281 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.429 -2.153 7.747 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.531 -0.795 7.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.103 -0.937 9.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.781 0.494 8.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.714 -0.821 8.826 1.00 0.00 H new ATOM 769 N VAL A 56 4.060 -4.944 2.506 1.00 0.00 N ATOM 770 CA VAL A 56 4.402 -6.271 1.959 1.00 0.00 C ATOM 771 C VAL A 56 5.782 -6.241 1.340 1.00 0.00 C ATOM 772 O VAL A 56 6.042 -5.525 0.371 1.00 0.00 O ATOM 773 CB VAL A 56 3.383 -6.724 0.890 1.00 0.00 C ATOM 774 CG1 VAL A 56 3.725 -8.125 0.356 1.00 0.00 C ATOM 775 CG2 VAL A 56 1.944 -6.736 1.428 1.00 0.00 C ATOM 0 H VAL A 56 3.638 -4.333 1.807 1.00 0.00 H new ATOM 0 HA VAL A 56 4.378 -6.980 2.786 1.00 0.00 H new ATOM 0 HB VAL A 56 3.447 -5.996 0.081 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.991 -8.417 -0.395 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.718 -8.111 -0.094 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.709 -8.841 1.177 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.264 -7.061 0.641 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.877 -7.423 2.272 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.669 -5.733 1.754 1.00 0.00 H new ATOM 785 N GLU A 57 6.667 -7.036 1.932 1.00 0.00 N ATOM 786 CA GLU A 57 8.001 -7.262 1.417 1.00 0.00 C ATOM 787 C GLU A 57 7.930 -8.132 0.146 1.00 0.00 C ATOM 788 O GLU A 57 7.333 -9.214 0.151 1.00 0.00 O ATOM 789 CB GLU A 57 8.857 -7.900 2.512 1.00 0.00 C ATOM 790 CG GLU A 57 10.332 -7.756 2.168 1.00 0.00 C ATOM 791 CD GLU A 57 11.206 -8.749 2.949 1.00 0.00 C ATOM 792 OE1 GLU A 57 11.263 -9.939 2.551 1.00 0.00 O ATOM 793 OE2 GLU A 57 11.847 -8.341 3.947 1.00 0.00 O ATOM 0 H GLU A 57 6.470 -7.545 2.794 1.00 0.00 H new ATOM 0 HA GLU A 57 8.467 -6.318 1.134 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.650 -7.424 3.471 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.601 -8.954 2.618 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.472 -7.914 1.099 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.657 -6.739 2.385 1.00 0.00 H new ATOM 798 N ASP A 58 8.569 -7.696 -0.936 1.00 0.00 N ATOM 799 CA ASP A 58 8.675 -8.420 -2.205 1.00 0.00 C ATOM 800 C ASP A 58 10.147 -8.705 -2.572 1.00 0.00 C ATOM 801 O ASP A 58 11.035 -7.903 -2.285 1.00 0.00 O ATOM 802 CB ASP A 58 7.964 -7.616 -3.305 1.00 0.00 C ATOM 803 CG ASP A 58 7.863 -8.426 -4.598 1.00 0.00 C ATOM 804 OD1 ASP A 58 6.975 -9.309 -4.684 1.00 0.00 O ATOM 805 OD2 ASP A 58 8.688 -8.180 -5.510 1.00 0.00 O ATOM 0 H ASP A 58 9.046 -6.795 -0.957 1.00 0.00 H new ATOM 0 HA ASP A 58 8.188 -9.390 -2.103 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.966 -7.336 -2.968 1.00 0.00 H new ATOM 0 HB3 ASP A 58 8.508 -6.690 -3.493 1.00 0.00 H new ATOM 809 N GLY A 59 10.408 -9.866 -3.195 1.00 0.00 N ATOM 810 CA GLY A 59 11.745 -10.332 -3.592 1.00 0.00 C ATOM 811 C GLY A 59 11.763 -11.114 -4.919 1.00 0.00 C ATOM 812 O GLY A 59 10.767 -11.084 -5.653 1.00 0.00 O ATOM 0 H GLY A 59 9.671 -10.526 -3.443 1.00 0.00 H new ATOM 0 HA2 GLY A 59 12.408 -9.471 -3.679 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.148 -10.966 -2.802 1.00 0.00 H new ATOM 816 N PRO A 60 12.867 -11.823 -5.237 1.00 0.00 N ATOM 817 CA PRO A 60 12.987 -12.620 -6.465 1.00 0.00 C ATOM 818 C PRO A 60 12.104 -13.877 -6.431 1.00 0.00 C ATOM 819 O PRO A 60 11.684 -14.349 -7.487 1.00 0.00 O ATOM 820 CB PRO A 60 14.479 -12.967 -6.572 1.00 0.00 C ATOM 821 CG PRO A 60 14.957 -12.964 -5.117 1.00 0.00 C ATOM 822 CD PRO A 60 14.113 -11.863 -4.475 1.00 0.00 C ATOM 0 HA PRO A 60 12.639 -12.066 -7.336 1.00 0.00 H new ATOM 0 HB2 PRO A 60 14.632 -13.939 -7.042 1.00 0.00 H new ATOM 0 HB3 PRO A 60 15.019 -12.235 -7.172 1.00 0.00 H new ATOM 0 HG2 PRO A 60 14.793 -13.929 -4.637 1.00 0.00 H new ATOM 0 HG3 PRO A 60 16.023 -12.749 -5.044 1.00 0.00 H new ATOM 0 HD2 PRO A 60 13.922 -12.079 -3.424 1.00 0.00 H new ATOM 0 HD3 PRO A 60 14.627 -10.903 -4.515 1.00 0.00 H new ATOM 827 N GLY A 61 11.782 -14.398 -5.236 1.00 0.00 N ATOM 828 CA GLY A 61 10.766 -15.442 -5.030 1.00 0.00 C ATOM 829 C GLY A 61 9.362 -14.839 -4.892 1.00 0.00 C ATOM 830 O GLY A 61 9.194 -13.774 -4.294 1.00 0.00 O ATOM 0 H GLY A 61 12.229 -14.099 -4.369 1.00 0.00 H new ATOM 0 HA2 GLY A 61 10.783 -16.139 -5.868 1.00 0.00 H new ATOM 0 HA3 GLY A 61 11.007 -16.015 -4.134 1.00 0.00 H new ATOM 834 N ARG A 62 8.354 -15.533 -5.436 1.00 0.00 N ATOM 835 CA ARG A 62 6.957 -15.067 -5.473 1.00 0.00 C ATOM 836 C ARG A 62 6.347 -14.858 -4.075 1.00 0.00 C ATOM 837 O ARG A 62 6.668 -15.580 -3.123 1.00 0.00 O ATOM 838 CB ARG A 62 6.087 -15.999 -6.337 1.00 0.00 C ATOM 839 CG ARG A 62 5.906 -17.421 -5.773 1.00 0.00 C ATOM 840 CD ARG A 62 5.021 -18.312 -6.661 1.00 0.00 C ATOM 841 NE ARG A 62 3.645 -17.778 -6.813 1.00 0.00 N ATOM 842 CZ ARG A 62 2.680 -17.792 -5.899 1.00 0.00 C ATOM 843 NH1 ARG A 62 2.850 -18.312 -4.701 1.00 0.00 N ATOM 844 NH2 ARG A 62 1.507 -17.272 -6.185 1.00 0.00 N ATOM 0 H ARG A 62 8.485 -16.447 -5.869 1.00 0.00 H new ATOM 0 HA ARG A 62 6.973 -14.082 -5.940 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.104 -15.544 -6.460 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.532 -16.071 -7.330 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.884 -17.888 -5.660 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.466 -17.358 -4.778 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.480 -18.408 -7.645 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.973 -19.313 -6.232 1.00 0.00 H new ATOM 0 HE ARG A 62 3.416 -17.356 -7.713 1.00 0.00 H new ATOM 0 HH11 ARG A 62 3.748 -18.724 -4.446 1.00 0.00 H new ATOM 0 HH12 ARG A 62 2.084 -18.303 -4.028 1.00 0.00 H new ATOM 0 HH21 ARG A 62 1.342 -16.861 -7.104 1.00 0.00 H new ATOM 0 HH22 ARG A 62 0.762 -17.280 -5.488 1.00 0.00 H new ATOM 855 N ARG A 63 5.426 -13.888 -3.976 1.00 0.00 N ATOM 856 CA ARG A 63 4.635 -13.545 -2.790 1.00 0.00 C ATOM 857 C ARG A 63 3.412 -12.714 -3.244 1.00 0.00 C ATOM 858 O ARG A 63 3.199 -12.516 -4.443 1.00 0.00 O ATOM 859 CB ARG A 63 5.538 -12.860 -1.727 1.00 0.00 C ATOM 860 CG ARG A 63 4.943 -12.827 -0.302 1.00 0.00 C ATOM 861 CD ARG A 63 5.986 -13.036 0.813 1.00 0.00 C ATOM 862 NE ARG A 63 7.049 -12.018 0.802 1.00 0.00 N ATOM 863 CZ ARG A 63 8.256 -12.119 1.353 1.00 0.00 C ATOM 864 NH1 ARG A 63 8.635 -13.152 2.073 1.00 0.00 N ATOM 865 NH2 ARG A 63 9.100 -11.134 1.168 1.00 0.00 N ATOM 0 H ARG A 63 5.202 -13.288 -4.770 1.00 0.00 H new ATOM 0 HA ARG A 63 4.242 -14.431 -2.292 1.00 0.00 H new ATOM 0 HB2 ARG A 63 6.496 -13.379 -1.694 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.740 -11.837 -2.046 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.447 -11.869 -0.148 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.178 -13.599 -0.220 1.00 0.00 H new ATOM 0 HD2 ARG A 63 5.484 -13.019 1.780 1.00 0.00 H new ATOM 0 HD3 ARG A 63 6.435 -14.023 0.703 1.00 0.00 H new ATOM 0 HE ARG A 63 6.838 -11.143 0.322 1.00 0.00 H new ATOM 0 HH11 ARG A 63 7.991 -13.927 2.232 1.00 0.00 H new ATOM 0 HH12 ARG A 63 9.573 -13.178 2.473 1.00 0.00 H new ATOM 0 HH21 ARG A 63 8.823 -10.322 0.616 1.00 0.00 H new ATOM 0 HH22 ARG A 63 10.034 -11.179 1.576 1.00 0.00 H new ATOM 876 N LEU A 64 2.612 -12.245 -2.288 1.00 0.00 N ATOM 877 CA LEU A 64 1.328 -11.539 -2.422 1.00 0.00 C ATOM 878 C LEU A 64 1.224 -10.532 -3.590 1.00 0.00 C ATOM 879 O LEU A 64 0.201 -10.530 -4.270 1.00 0.00 O ATOM 880 CB LEU A 64 1.113 -10.903 -1.040 1.00 0.00 C ATOM 881 CG LEU A 64 -0.255 -10.247 -0.773 1.00 0.00 C ATOM 882 CD1 LEU A 64 -1.401 -11.248 -0.978 1.00 0.00 C ATOM 883 CD2 LEU A 64 -0.276 -9.709 0.662 1.00 0.00 C ATOM 0 H LEU A 64 2.865 -12.358 -1.306 1.00 0.00 H new ATOM 0 HA LEU A 64 0.537 -12.235 -2.701 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.272 -11.673 -0.285 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.885 -10.148 -0.892 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.399 -9.430 -1.480 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.354 -10.756 -0.782 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.386 -11.613 -2.005 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.278 -12.087 -0.293 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.241 -9.242 0.862 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.119 -10.531 1.361 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.517 -8.971 0.786 1.00 0.00 H new ATOM 894 N GLY A 65 2.258 -9.737 -3.895 1.00 0.00 N ATOM 895 CA GLY A 65 2.241 -8.740 -4.993 1.00 0.00 C ATOM 896 C GLY A 65 2.018 -9.329 -6.395 1.00 0.00 C ATOM 897 O GLY A 65 1.428 -8.663 -7.251 1.00 0.00 O ATOM 0 H GLY A 65 3.142 -9.762 -3.386 1.00 0.00 H new ATOM 0 HA2 GLY A 65 1.456 -8.011 -4.791 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.187 -8.199 -4.988 1.00 0.00 H new ATOM 901 N ARG A 66 2.404 -10.595 -6.608 1.00 0.00 N ATOM 902 CA ARG A 66 2.101 -11.341 -7.835 1.00 0.00 C ATOM 903 C ARG A 66 0.608 -11.694 -7.915 1.00 0.00 C ATOM 904 O ARG A 66 -0.001 -11.564 -8.973 1.00 0.00 O ATOM 905 CB ARG A 66 2.997 -12.589 -7.900 1.00 0.00 C ATOM 906 CG ARG A 66 2.810 -13.373 -9.208 1.00 0.00 C ATOM 907 CD ARG A 66 3.849 -14.494 -9.343 1.00 0.00 C ATOM 908 NE ARG A 66 3.558 -15.349 -10.505 1.00 0.00 N ATOM 909 CZ ARG A 66 4.350 -16.276 -11.029 1.00 0.00 C ATOM 910 NH1 ARG A 66 5.566 -16.499 -10.569 1.00 0.00 N ATOM 911 NH2 ARG A 66 3.923 -17.000 -12.040 1.00 0.00 N ATOM 0 H ARG A 66 2.940 -11.133 -5.927 1.00 0.00 H new ATOM 0 HA ARG A 66 2.315 -10.717 -8.703 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.041 -12.290 -7.804 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.773 -13.239 -7.054 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.807 -13.799 -9.238 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.893 -12.694 -10.056 1.00 0.00 H new ATOM 0 HD2 ARG A 66 4.844 -14.061 -9.446 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.857 -15.098 -8.436 1.00 0.00 H new ATOM 0 HE ARG A 66 2.652 -15.215 -10.955 1.00 0.00 H new ATOM 0 HH11 ARG A 66 5.924 -15.951 -9.787 1.00 0.00 H new ATOM 0 HH12 ARG A 66 6.148 -17.220 -10.995 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.988 -16.848 -12.417 1.00 0.00 H new ATOM 0 HH22 ARG A 66 4.527 -17.714 -12.447 1.00 0.00 H new ATOM 922 N SER A 67 -0.008 -12.058 -6.793 1.00 0.00 N ATOM 923 CA SER A 67 -1.441 -12.378 -6.685 1.00 0.00 C ATOM 924 C SER A 67 -2.329 -11.122 -6.732 1.00 0.00 C ATOM 925 O SER A 67 -3.509 -11.213 -7.079 1.00 0.00 O ATOM 926 CB SER A 67 -1.690 -13.141 -5.375 1.00 0.00 C ATOM 927 OG SER A 67 -0.828 -14.263 -5.246 1.00 0.00 O ATOM 0 H SER A 67 0.485 -12.143 -5.904 1.00 0.00 H new ATOM 0 HA SER A 67 -1.710 -12.994 -7.544 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.542 -12.469 -4.529 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.727 -13.474 -5.340 1.00 0.00 H new ATOM 0 HG SER A 67 -1.014 -14.723 -4.401 1.00 0.00 H new ATOM 932 N PHE A 68 -1.760 -9.941 -6.454 1.00 0.00 N ATOM 933 CA PHE A 68 -2.370 -8.637 -6.724 1.00 0.00 C ATOM 934 C PHE A 68 -2.182 -8.175 -8.178 1.00 0.00 C ATOM 935 O PHE A 68 -2.870 -7.254 -8.616 1.00 0.00 O ATOM 936 CB PHE A 68 -1.784 -7.605 -5.751 1.00 0.00 C ATOM 937 CG PHE A 68 -2.582 -7.478 -4.476 1.00 0.00 C ATOM 938 CD1 PHE A 68 -2.397 -8.387 -3.428 1.00 0.00 C ATOM 939 CD2 PHE A 68 -3.517 -6.446 -4.351 1.00 0.00 C ATOM 940 CE1 PHE A 68 -3.101 -8.224 -2.221 1.00 0.00 C ATOM 941 CE2 PHE A 68 -4.231 -6.278 -3.151 1.00 0.00 C ATOM 942 CZ PHE A 68 -4.011 -7.165 -2.079 1.00 0.00 C ATOM 0 H PHE A 68 -0.838 -9.867 -6.024 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.445 -8.734 -6.575 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.760 -7.886 -5.506 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.739 -6.634 -6.244 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.713 -9.214 -3.546 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -3.692 -5.775 -5.179 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.941 -8.913 -1.405 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -4.944 -5.473 -3.052 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.542 -7.030 -1.148 1.00 0.00 H new ATOM 951 N GLN A 69 -1.276 -8.809 -8.932 1.00 0.00 N ATOM 952 CA GLN A 69 -0.892 -8.449 -10.299 1.00 0.00 C ATOM 953 C GLN A 69 -0.312 -7.019 -10.362 1.00 0.00 C ATOM 954 O GLN A 69 -0.692 -6.223 -11.217 1.00 0.00 O ATOM 955 CB GLN A 69 -2.033 -8.693 -11.316 1.00 0.00 C ATOM 956 CG GLN A 69 -2.554 -10.148 -11.396 1.00 0.00 C ATOM 957 CD GLN A 69 -3.734 -10.543 -10.486 1.00 0.00 C ATOM 958 OE1 GLN A 69 -4.374 -9.645 -9.758 1.00 0.00 O flip ATOM 959 NE2 GLN A 69 -4.125 -11.701 -10.432 1.00 0.00 N flip ATOM 0 H GLN A 69 -0.768 -9.624 -8.588 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.089 -9.121 -10.602 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.868 -8.040 -11.062 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.685 -8.395 -12.305 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.848 -10.342 -12.428 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.721 -10.814 -11.172 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.657 -12.423 -10.979 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -4.919 -11.944 -9.840 1.00 0.00 H new ATOM 966 N VAL A 70 0.575 -6.667 -9.417 1.00 0.00 N ATOM 967 CA VAL A 70 1.217 -5.340 -9.294 1.00 0.00 C ATOM 968 C VAL A 70 1.869 -4.874 -10.613 1.00 0.00 C ATOM 969 O VAL A 70 2.536 -5.652 -11.296 1.00 0.00 O ATOM 970 CB VAL A 70 2.226 -5.355 -8.122 1.00 0.00 C ATOM 971 CG1 VAL A 70 3.256 -4.214 -8.161 1.00 0.00 C ATOM 972 CG2 VAL A 70 1.468 -5.286 -6.788 1.00 0.00 C ATOM 0 H VAL A 70 0.878 -7.317 -8.692 1.00 0.00 H new ATOM 0 HA VAL A 70 0.440 -4.607 -9.076 1.00 0.00 H new ATOM 0 HB VAL A 70 2.783 -6.287 -8.222 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.925 -4.298 -7.305 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.836 -4.278 -9.082 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.739 -3.255 -8.124 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.181 -5.297 -5.963 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.882 -4.368 -6.749 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.802 -6.145 -6.703 1.00 0.00 H new ATOM 982 N LYS A 71 1.656 -3.595 -10.965 1.00 0.00 N ATOM 983 CA LYS A 71 2.175 -2.937 -12.176 1.00 0.00 C ATOM 984 C LYS A 71 3.686 -2.621 -12.075 1.00 0.00 C ATOM 985 O LYS A 71 4.519 -3.521 -12.218 1.00 0.00 O ATOM 986 CB LYS A 71 1.335 -1.678 -12.473 1.00 0.00 C ATOM 987 CG LYS A 71 -0.164 -1.877 -12.729 1.00 0.00 C ATOM 988 CD LYS A 71 -0.519 -2.792 -13.908 1.00 0.00 C ATOM 989 CE LYS A 71 -0.619 -4.265 -13.496 1.00 0.00 C ATOM 990 NZ LYS A 71 -0.970 -5.145 -14.640 1.00 0.00 N ATOM 0 H LYS A 71 1.095 -2.966 -10.391 1.00 0.00 H new ATOM 0 HA LYS A 71 2.079 -3.628 -13.013 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.446 -0.993 -11.633 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.764 -1.185 -13.345 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.618 -2.285 -11.826 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.618 -0.901 -12.900 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.468 -2.473 -14.339 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.236 -2.686 -14.687 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.332 -4.587 -13.071 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.371 -4.372 -12.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.027 -6.131 -14.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -1.889 -4.856 -15.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -0.240 -5.065 -15.376 1.00 0.00 H new ATOM 1000 N LEU A 72 4.054 -1.360 -11.823 1.00 0.00 N ATOM 1001 CA LEU A 72 5.403 -0.993 -11.392 1.00 0.00 C ATOM 1002 C LEU A 72 5.597 -1.482 -9.954 1.00 0.00 C ATOM 1003 O LEU A 72 4.653 -1.544 -9.172 1.00 0.00 O ATOM 1004 CB LEU A 72 5.624 0.528 -11.507 1.00 0.00 C ATOM 1005 CG LEU A 72 7.115 0.902 -11.639 1.00 0.00 C ATOM 1006 CD1 LEU A 72 7.647 0.604 -13.054 1.00 0.00 C ATOM 1007 CD2 LEU A 72 7.343 2.381 -11.319 1.00 0.00 C ATOM 0 H LEU A 72 3.421 -0.565 -11.913 1.00 0.00 H new ATOM 0 HA LEU A 72 6.143 -1.466 -12.038 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.080 0.906 -12.373 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.206 1.020 -10.629 1.00 0.00 H new ATOM 0 HG LEU A 72 7.659 0.290 -10.920 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.700 0.879 -13.112 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.537 -0.459 -13.267 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.080 1.181 -13.785 1.00 0.00 H new ATOM 0 HD21 LEU A 72 8.403 2.616 -11.420 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.767 2.996 -12.011 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.022 2.586 -10.298 1.00 0.00 H new ATOM 1018 N TRP A 73 6.826 -1.837 -9.598 1.00 0.00 N ATOM 1019 CA TRP A 73 7.124 -2.479 -8.322 1.00 0.00 C ATOM 1020 C TRP A 73 6.727 -1.652 -7.074 1.00 0.00 C ATOM 1021 O TRP A 73 6.096 -2.245 -6.190 1.00 0.00 O ATOM 1022 CB TRP A 73 8.604 -2.826 -8.327 1.00 0.00 C ATOM 1023 CG TRP A 73 9.054 -3.706 -7.219 1.00 0.00 C ATOM 1024 CD1 TRP A 73 8.879 -5.040 -7.151 1.00 0.00 C ATOM 1025 CD2 TRP A 73 9.768 -3.325 -6.012 1.00 0.00 C ATOM 1026 NE1 TRP A 73 9.457 -5.517 -5.999 1.00 0.00 N ATOM 1027 CE2 TRP A 73 10.056 -4.507 -5.268 1.00 0.00 C ATOM 1028 CE3 TRP A 73 10.212 -2.096 -5.482 1.00 0.00 C ATOM 1029 CZ2 TRP A 73 10.792 -4.479 -4.076 1.00 0.00 C ATOM 1030 CZ3 TRP A 73 10.931 -2.050 -4.273 1.00 0.00 C ATOM 1031 CH2 TRP A 73 11.243 -3.238 -3.587 1.00 0.00 C ATOM 0 H TRP A 73 7.646 -1.688 -10.186 1.00 0.00 H new ATOM 0 HA TRP A 73 6.508 -3.374 -8.236 1.00 0.00 H new ATOM 0 HB2 TRP A 73 8.843 -3.310 -9.274 1.00 0.00 H new ATOM 0 HB3 TRP A 73 9.177 -1.900 -8.289 1.00 0.00 H new ATOM 0 HD1 TRP A 73 8.365 -5.641 -7.887 1.00 0.00 H new ATOM 0 HE1 TRP A 73 9.446 -6.497 -5.717 1.00 0.00 H new ATOM 0 HE3 TRP A 73 9.998 -1.179 -6.010 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 11.009 -5.392 -3.542 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 11.245 -1.098 -3.870 1.00 0.00 H new ATOM 0 HH2 TRP A 73 11.831 -3.198 -2.682 1.00 0.00 H new ATOM 1041 N PRO A 74 7.011 -0.326 -6.979 1.00 0.00 N ATOM 1042 CA PRO A 74 6.486 0.504 -5.909 1.00 0.00 C ATOM 1043 C PRO A 74 5.025 0.889 -6.218 1.00 0.00 C ATOM 1044 O PRO A 74 4.754 1.884 -6.894 1.00 0.00 O ATOM 1045 CB PRO A 74 7.417 1.719 -5.825 1.00 0.00 C ATOM 1046 CG PRO A 74 7.828 1.913 -7.280 1.00 0.00 C ATOM 1047 CD PRO A 74 7.919 0.480 -7.794 1.00 0.00 C ATOM 0 HA PRO A 74 6.463 -0.009 -4.948 1.00 0.00 H new ATOM 0 HB2 PRO A 74 6.907 2.596 -5.426 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.276 1.530 -5.181 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.093 2.497 -7.834 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.781 2.436 -7.366 1.00 0.00 H new ATOM 0 HD2 PRO A 74 7.640 0.430 -8.846 1.00 0.00 H new ATOM 0 HD3 PRO A 74 8.940 0.107 -7.717 1.00 0.00 H new ATOM 1052 N THR A 75 4.090 0.082 -5.714 1.00 0.00 N ATOM 1053 CA THR A 75 2.641 0.233 -5.896 1.00 0.00 C ATOM 1054 C THR A 75 1.953 -0.092 -4.590 1.00 0.00 C ATOM 1055 O THR A 75 2.421 -0.922 -3.815 1.00 0.00 O ATOM 1056 CB THR A 75 2.147 -0.709 -7.004 1.00 0.00 C ATOM 1057 OG1 THR A 75 2.570 -0.197 -8.239 1.00 0.00 O ATOM 1058 CG2 THR A 75 0.630 -0.882 -7.128 1.00 0.00 C ATOM 0 H THR A 75 4.329 -0.729 -5.144 1.00 0.00 H new ATOM 0 HA THR A 75 2.410 1.257 -6.189 1.00 0.00 H new ATOM 0 HB THR A 75 2.559 -1.681 -6.734 1.00 0.00 H new ATOM 0 HG1 THR A 75 3.170 -0.840 -8.671 1.00 0.00 H new ATOM 0 HG21 THR A 75 0.408 -1.569 -7.944 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.232 -1.284 -6.196 1.00 0.00 H new ATOM 0 HG23 THR A 75 0.169 0.084 -7.332 1.00 0.00 H new ATOM 1066 N PHE A 76 0.804 0.539 -4.373 1.00 0.00 N ATOM 1067 CA PHE A 76 -0.058 0.288 -3.225 1.00 0.00 C ATOM 1068 C PHE A 76 -1.532 0.270 -3.661 1.00 0.00 C ATOM 1069 O PHE A 76 -2.006 1.159 -4.370 1.00 0.00 O ATOM 1070 CB PHE A 76 0.243 1.276 -2.091 1.00 0.00 C ATOM 1071 CG PHE A 76 0.717 2.631 -2.521 1.00 0.00 C ATOM 1072 CD1 PHE A 76 2.076 2.831 -2.840 1.00 0.00 C ATOM 1073 CD2 PHE A 76 -0.201 3.683 -2.613 1.00 0.00 C ATOM 1074 CE1 PHE A 76 2.503 4.080 -3.306 1.00 0.00 C ATOM 1075 CE2 PHE A 76 0.239 4.934 -3.050 1.00 0.00 C ATOM 1076 CZ PHE A 76 1.577 5.127 -3.429 1.00 0.00 C ATOM 0 H PHE A 76 0.439 1.253 -5.003 1.00 0.00 H new ATOM 0 HA PHE A 76 0.152 -0.701 -2.817 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -0.659 1.400 -1.492 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.999 0.836 -1.441 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.784 2.024 -2.725 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.237 3.529 -2.349 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.539 4.237 -3.569 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.455 5.760 -3.097 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.894 6.084 -3.816 1.00 0.00 H new ATOM 1085 N VAL A 77 -2.235 -0.786 -3.242 1.00 0.00 N ATOM 1086 CA VAL A 77 -3.597 -1.135 -3.668 1.00 0.00 C ATOM 1087 C VAL A 77 -4.564 -0.910 -2.504 1.00 0.00 C ATOM 1088 O VAL A 77 -4.384 -1.493 -1.431 1.00 0.00 O ATOM 1089 CB VAL A 77 -3.663 -2.597 -4.182 1.00 0.00 C ATOM 1090 CG1 VAL A 77 -5.054 -2.947 -4.717 1.00 0.00 C ATOM 1091 CG2 VAL A 77 -2.629 -2.849 -5.293 1.00 0.00 C ATOM 0 H VAL A 77 -1.856 -1.451 -2.568 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.888 -0.491 -4.498 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.439 -3.233 -3.326 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.060 -3.979 -5.068 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.790 -2.830 -3.921 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.304 -2.282 -5.543 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.702 -3.883 -5.630 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.824 -2.179 -6.130 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.627 -2.664 -4.906 1.00 0.00 H new ATOM 1101 N PHE A 78 -5.560 -0.048 -2.707 1.00 0.00 N ATOM 1102 CA PHE A 78 -6.545 0.331 -1.698 1.00 0.00 C ATOM 1103 C PHE A 78 -7.692 -0.690 -1.716 1.00 0.00 C ATOM 1104 O PHE A 78 -8.409 -0.827 -2.712 1.00 0.00 O ATOM 1105 CB PHE A 78 -7.065 1.765 -1.946 1.00 0.00 C ATOM 1106 CG PHE A 78 -6.034 2.885 -1.847 1.00 0.00 C ATOM 1107 CD1 PHE A 78 -5.087 3.049 -2.880 1.00 0.00 C ATOM 1108 CD2 PHE A 78 -5.979 3.739 -0.722 1.00 0.00 C ATOM 1109 CE1 PHE A 78 -4.080 4.015 -2.773 1.00 0.00 C ATOM 1110 CE2 PHE A 78 -4.979 4.734 -0.631 1.00 0.00 C ATOM 1111 CZ PHE A 78 -4.038 4.870 -1.668 1.00 0.00 C ATOM 0 H PHE A 78 -5.707 0.418 -3.603 1.00 0.00 H new ATOM 0 HA PHE A 78 -6.079 0.327 -0.713 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -7.513 1.799 -2.939 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -7.861 1.969 -1.230 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.140 2.425 -3.760 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -6.704 3.631 0.071 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.332 4.100 -3.548 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -4.938 5.386 0.229 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.281 5.638 -1.610 1.00 0.00 H new ATOM 1120 N LEU A 79 -7.861 -1.416 -0.612 1.00 0.00 N ATOM 1121 CA LEU A 79 -8.929 -2.392 -0.395 1.00 0.00 C ATOM 1122 C LEU A 79 -9.964 -1.852 0.604 1.00 0.00 C ATOM 1123 O LEU A 79 -9.649 -1.025 1.465 1.00 0.00 O ATOM 1124 CB LEU A 79 -8.331 -3.731 0.081 1.00 0.00 C ATOM 1125 CG LEU A 79 -8.051 -4.723 -1.055 1.00 0.00 C ATOM 1126 CD1 LEU A 79 -7.061 -4.220 -2.093 1.00 0.00 C ATOM 1127 CD2 LEU A 79 -7.553 -6.042 -0.459 1.00 0.00 C ATOM 0 H LEU A 79 -7.233 -1.338 0.188 1.00 0.00 H new ATOM 0 HA LEU A 79 -9.446 -2.567 -1.338 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -7.402 -3.534 0.616 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -9.016 -4.192 0.792 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.993 -4.861 -1.585 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.920 -4.981 -2.860 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.446 -3.310 -2.552 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.106 -4.008 -1.612 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.352 -6.751 -1.262 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.637 -5.864 0.105 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -8.314 -6.452 0.205 1.00 0.00 H new ATOM 1138 N ARG A 80 -11.189 -2.364 0.494 1.00 0.00 N ATOM 1139 CA ARG A 80 -12.325 -2.082 1.375 1.00 0.00 C ATOM 1140 C ARG A 80 -13.353 -3.211 1.224 1.00 0.00 C ATOM 1141 O ARG A 80 -13.656 -3.629 0.109 1.00 0.00 O ATOM 1142 CB ARG A 80 -12.903 -0.691 1.048 1.00 0.00 C ATOM 1143 CG ARG A 80 -13.794 -0.119 2.160 1.00 0.00 C ATOM 1144 CD ARG A 80 -14.128 1.357 1.873 1.00 0.00 C ATOM 1145 NE ARG A 80 -14.990 1.927 2.929 1.00 0.00 N ATOM 1146 CZ ARG A 80 -15.036 3.191 3.344 1.00 0.00 C ATOM 1147 NH1 ARG A 80 -14.291 4.147 2.826 1.00 0.00 N ATOM 1148 NH2 ARG A 80 -15.850 3.514 4.324 1.00 0.00 N ATOM 0 H ARG A 80 -11.430 -3.020 -0.249 1.00 0.00 H new ATOM 0 HA ARG A 80 -12.016 -2.052 2.420 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -12.081 0.000 0.861 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -13.482 -0.755 0.127 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -14.714 -0.699 2.233 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -13.287 -0.204 3.121 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -13.206 1.934 1.803 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -14.629 1.438 0.908 1.00 0.00 H new ATOM 0 HE ARG A 80 -15.623 1.277 3.394 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -13.640 3.933 2.070 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -14.365 5.100 3.181 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -16.436 2.800 4.756 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -15.896 4.479 4.652 1.00 0.00 H new ATOM 1159 N ASP A 81 -13.809 -3.771 2.349 1.00 0.00 N ATOM 1160 CA ASP A 81 -14.651 -4.983 2.415 1.00 0.00 C ATOM 1161 C ASP A 81 -13.958 -6.230 1.793 1.00 0.00 C ATOM 1162 O ASP A 81 -14.620 -7.162 1.333 1.00 0.00 O ATOM 1163 CB ASP A 81 -16.039 -4.700 1.809 1.00 0.00 C ATOM 1164 CG ASP A 81 -17.106 -5.731 2.222 1.00 0.00 C ATOM 1165 OD1 ASP A 81 -17.212 -6.041 3.435 1.00 0.00 O ATOM 1166 OD2 ASP A 81 -17.866 -6.197 1.339 1.00 0.00 O ATOM 0 H ASP A 81 -13.599 -3.386 3.270 1.00 0.00 H new ATOM 0 HA ASP A 81 -14.794 -5.237 3.465 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -16.366 -3.706 2.116 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -15.957 -4.687 0.722 1.00 0.00 H new ATOM 1170 N GLY A 82 -12.615 -6.225 1.728 1.00 0.00 N ATOM 1171 CA GLY A 82 -11.787 -7.276 1.110 1.00 0.00 C ATOM 1172 C GLY A 82 -11.635 -7.167 -0.414 1.00 0.00 C ATOM 1173 O GLY A 82 -10.856 -7.924 -0.997 1.00 0.00 O ATOM 0 H GLY A 82 -12.058 -5.464 2.117 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.796 -7.250 1.562 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -12.221 -8.247 1.349 1.00 0.00 H new ATOM 1177 N ARG A 83 -12.329 -6.222 -1.062 1.00 0.00 N ATOM 1178 CA ARG A 83 -12.297 -5.949 -2.500 1.00 0.00 C ATOM 1179 C ARG A 83 -11.437 -4.711 -2.779 1.00 0.00 C ATOM 1180 O ARG A 83 -11.465 -3.738 -2.025 1.00 0.00 O ATOM 1181 CB ARG A 83 -13.750 -5.754 -2.982 1.00 0.00 C ATOM 1182 CG ARG A 83 -13.865 -5.522 -4.501 1.00 0.00 C ATOM 1183 CD ARG A 83 -15.321 -5.420 -4.983 1.00 0.00 C ATOM 1184 NE ARG A 83 -16.040 -6.703 -4.882 1.00 0.00 N ATOM 1185 CZ ARG A 83 -15.996 -7.706 -5.749 1.00 0.00 C ATOM 1186 NH1 ARG A 83 -15.278 -7.651 -6.852 1.00 0.00 N ATOM 1187 NH2 ARG A 83 -16.693 -8.797 -5.517 1.00 0.00 N ATOM 0 H ARG A 83 -12.962 -5.594 -0.567 1.00 0.00 H new ATOM 0 HA ARG A 83 -11.849 -6.781 -3.043 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.336 -6.632 -2.711 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -14.188 -4.904 -2.458 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -13.336 -4.606 -4.764 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -13.370 -6.339 -5.026 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -15.844 -4.667 -4.393 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -15.335 -5.080 -6.019 1.00 0.00 H new ATOM 0 HE ARG A 83 -16.632 -6.833 -4.061 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -14.731 -6.817 -7.063 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -15.269 -8.443 -7.495 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -17.263 -8.868 -4.674 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -16.663 -9.572 -6.180 1.00 0.00 H new ATOM 1198 N GLU A 84 -10.675 -4.736 -3.868 1.00 0.00 N ATOM 1199 CA GLU A 84 -9.938 -3.570 -4.368 1.00 0.00 C ATOM 1200 C GLU A 84 -10.925 -2.469 -4.792 1.00 0.00 C ATOM 1201 O GLU A 84 -11.766 -2.689 -5.663 1.00 0.00 O ATOM 1202 CB GLU A 84 -8.996 -3.981 -5.515 1.00 0.00 C ATOM 1203 CG GLU A 84 -8.356 -2.806 -6.272 1.00 0.00 C ATOM 1204 CD GLU A 84 -7.533 -3.251 -7.494 1.00 0.00 C ATOM 1205 OE1 GLU A 84 -6.947 -4.359 -7.486 1.00 0.00 O ATOM 1206 OE2 GLU A 84 -7.483 -2.493 -8.492 1.00 0.00 O ATOM 0 H GLU A 84 -10.547 -5.573 -4.437 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.314 -3.165 -3.571 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.203 -4.609 -5.109 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.554 -4.592 -6.224 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.140 -2.122 -6.599 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.712 -2.250 -5.591 1.00 0.00 H new ATOM 1211 N VAL A 85 -10.790 -1.287 -4.186 1.00 0.00 N ATOM 1212 CA VAL A 85 -11.530 -0.065 -4.561 1.00 0.00 C ATOM 1213 C VAL A 85 -10.721 0.845 -5.494 1.00 0.00 C ATOM 1214 O VAL A 85 -11.307 1.625 -6.248 1.00 0.00 O ATOM 1215 CB VAL A 85 -11.997 0.734 -3.322 1.00 0.00 C ATOM 1216 CG1 VAL A 85 -13.128 -0.025 -2.617 1.00 0.00 C ATOM 1217 CG2 VAL A 85 -10.889 1.026 -2.297 1.00 0.00 C ATOM 0 H VAL A 85 -10.152 -1.143 -3.404 1.00 0.00 H new ATOM 0 HA VAL A 85 -12.411 -0.408 -5.103 1.00 0.00 H new ATOM 0 HB VAL A 85 -12.332 1.698 -3.704 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -13.456 0.539 -1.744 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -13.965 -0.150 -3.304 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -12.768 -1.004 -2.302 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.305 1.590 -1.462 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.476 0.086 -1.930 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -10.100 1.609 -2.771 1.00 0.00 H new ATOM 1227 N ALA A 86 -9.386 0.718 -5.481 1.00 0.00 N ATOM 1228 CA ALA A 86 -8.426 1.503 -6.257 1.00 0.00 C ATOM 1229 C ALA A 86 -6.997 0.960 -6.091 1.00 0.00 C ATOM 1230 O ALA A 86 -6.751 0.075 -5.279 1.00 0.00 O ATOM 1231 CB ALA A 86 -8.489 2.959 -5.780 1.00 0.00 C ATOM 0 H ALA A 86 -8.925 0.023 -4.893 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.684 1.436 -7.314 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.779 3.559 -6.349 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -9.496 3.348 -5.931 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.237 3.006 -4.721 1.00 0.00 H new ATOM 1237 N ARG A 87 -6.054 1.582 -6.793 1.00 0.00 N ATOM 1238 CA ARG A 87 -4.620 1.470 -6.529 1.00 0.00 C ATOM 1239 C ARG A 87 -3.882 2.714 -7.020 1.00 0.00 C ATOM 1240 O ARG A 87 -4.346 3.399 -7.934 1.00 0.00 O ATOM 1241 CB ARG A 87 -4.035 0.185 -7.136 1.00 0.00 C ATOM 1242 CG ARG A 87 -4.246 0.038 -8.653 1.00 0.00 C ATOM 1243 CD ARG A 87 -3.312 -1.053 -9.198 1.00 0.00 C ATOM 1244 NE ARG A 87 -3.703 -1.476 -10.559 1.00 0.00 N ATOM 1245 CZ ARG A 87 -3.531 -0.815 -11.701 1.00 0.00 C ATOM 1246 NH1 ARG A 87 -2.928 0.356 -11.751 1.00 0.00 N ATOM 1247 NH2 ARG A 87 -3.978 -1.331 -12.824 1.00 0.00 N ATOM 0 H ARG A 87 -6.270 2.193 -7.581 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.480 1.404 -5.450 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.966 0.154 -6.927 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -4.482 -0.674 -6.636 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.284 -0.219 -8.863 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.045 0.986 -9.152 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.287 -0.681 -9.212 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.329 -1.914 -8.530 1.00 0.00 H new ATOM 0 HE ARG A 87 -4.160 -2.385 -10.632 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -2.575 0.785 -10.895 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.814 0.833 -12.645 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -4.454 -2.233 -12.817 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -3.849 -0.829 -13.703 1.00 0.00 H new ATOM 1258 N VAL A 88 -2.729 2.985 -6.423 1.00 0.00 N ATOM 1259 CA VAL A 88 -1.805 4.042 -6.857 1.00 0.00 C ATOM 1260 C VAL A 88 -0.462 3.386 -7.184 1.00 0.00 C ATOM 1261 O VAL A 88 0.116 2.679 -6.357 1.00 0.00 O ATOM 1262 CB VAL A 88 -1.654 5.123 -5.764 1.00 0.00 C ATOM 1263 CG1 VAL A 88 -0.532 6.133 -6.074 1.00 0.00 C ATOM 1264 CG2 VAL A 88 -2.946 5.917 -5.517 1.00 0.00 C ATOM 0 H VAL A 88 -2.397 2.470 -5.607 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.194 4.545 -7.742 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.402 4.557 -4.867 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.473 6.868 -5.272 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.419 5.607 -6.155 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.748 6.639 -7.015 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.773 6.660 -4.738 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.246 6.419 -6.437 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.736 5.236 -5.200 1.00 0.00 H new ATOM 1274 N VAL A 89 0.023 3.631 -8.399 1.00 0.00 N ATOM 1275 CA VAL A 89 1.331 3.180 -8.918 1.00 0.00 C ATOM 1276 C VAL A 89 2.260 4.394 -8.959 1.00 0.00 C ATOM 1277 O VAL A 89 1.826 5.469 -9.379 1.00 0.00 O ATOM 1278 CB VAL A 89 1.176 2.575 -10.339 1.00 0.00 C ATOM 1279 CG1 VAL A 89 2.506 2.087 -10.932 1.00 0.00 C ATOM 1280 CG2 VAL A 89 0.160 1.419 -10.369 1.00 0.00 C ATOM 0 H VAL A 89 -0.501 4.173 -9.086 1.00 0.00 H new ATOM 0 HA VAL A 89 1.744 2.405 -8.272 1.00 0.00 H new ATOM 0 HB VAL A 89 0.807 3.395 -10.955 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.332 1.675 -11.926 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.201 2.923 -11.003 1.00 0.00 H new ATOM 0 HG13 VAL A 89 2.930 1.316 -10.289 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.085 1.027 -11.383 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.490 0.627 -9.697 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.816 1.784 -10.048 1.00 0.00 H new ATOM 1290 N ARG A 90 3.523 4.231 -8.539 1.00 0.00 N ATOM 1291 CA ARG A 90 4.598 5.217 -8.606 1.00 0.00 C ATOM 1292 C ARG A 90 4.174 6.674 -8.255 1.00 0.00 C ATOM 1293 O ARG A 90 3.941 7.466 -9.176 1.00 0.00 O ATOM 1294 CB ARG A 90 5.244 5.073 -9.993 1.00 0.00 C ATOM 1295 CG ARG A 90 6.617 5.742 -10.134 1.00 0.00 C ATOM 1296 CD ARG A 90 7.632 5.371 -9.041 1.00 0.00 C ATOM 1297 NE ARG A 90 9.026 5.600 -9.459 1.00 0.00 N ATOM 1298 CZ ARG A 90 9.676 6.751 -9.560 1.00 0.00 C ATOM 1299 NH1 ARG A 90 9.093 7.914 -9.358 1.00 0.00 N ATOM 1300 NH2 ARG A 90 10.953 6.734 -9.867 1.00 0.00 N ATOM 0 H ARG A 90 3.834 3.355 -8.120 1.00 0.00 H new ATOM 0 HA ARG A 90 5.328 5.010 -7.823 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.347 4.012 -10.222 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.571 5.497 -10.738 1.00 0.00 H new ATOM 0 HG2 ARG A 90 7.037 5.477 -11.104 1.00 0.00 H new ATOM 0 HG3 ARG A 90 6.480 6.823 -10.131 1.00 0.00 H new ATOM 0 HD2 ARG A 90 7.425 5.956 -8.145 1.00 0.00 H new ATOM 0 HD3 ARG A 90 7.505 4.322 -8.774 1.00 0.00 H new ATOM 0 HE ARG A 90 9.560 4.765 -9.702 1.00 0.00 H new ATOM 0 HH11 ARG A 90 8.104 7.953 -9.113 1.00 0.00 H new ATOM 0 HH12 ARG A 90 9.631 8.776 -9.446 1.00 0.00 H new ATOM 0 HH21 ARG A 90 11.428 5.845 -10.023 1.00 0.00 H new ATOM 0 HH22 ARG A 90 11.469 7.610 -9.949 1.00 0.00 H new ATOM 1311 N PRO A 91 4.065 7.036 -6.958 1.00 0.00 N ATOM 1312 CA PRO A 91 3.576 8.344 -6.517 1.00 0.00 C ATOM 1313 C PRO A 91 4.476 9.477 -7.043 1.00 0.00 C ATOM 1314 O PRO A 91 5.696 9.419 -6.886 1.00 0.00 O ATOM 1315 CB PRO A 91 3.552 8.302 -4.989 1.00 0.00 C ATOM 1316 CG PRO A 91 4.556 7.203 -4.632 1.00 0.00 C ATOM 1317 CD PRO A 91 4.411 6.221 -5.798 1.00 0.00 C ATOM 0 HA PRO A 91 2.580 8.548 -6.910 1.00 0.00 H new ATOM 0 HB2 PRO A 91 3.841 9.261 -4.559 1.00 0.00 H new ATOM 0 HB3 PRO A 91 2.556 8.070 -4.612 1.00 0.00 H new ATOM 0 HG2 PRO A 91 5.571 7.592 -4.554 1.00 0.00 H new ATOM 0 HG3 PRO A 91 4.320 6.734 -3.677 1.00 0.00 H new ATOM 0 HD2 PRO A 91 5.338 5.673 -5.967 1.00 0.00 H new ATOM 0 HD3 PRO A 91 3.637 5.482 -5.594 1.00 0.00 H new ATOM 1322 N GLY A 92 3.870 10.496 -7.666 1.00 0.00 N ATOM 1323 CA GLY A 92 4.586 11.642 -8.257 1.00 0.00 C ATOM 1324 C GLY A 92 4.858 12.777 -7.268 1.00 0.00 C ATOM 1325 O GLY A 92 5.892 13.437 -7.359 1.00 0.00 O ATOM 0 H GLY A 92 2.858 10.552 -7.777 1.00 0.00 H new ATOM 0 HA2 GLY A 92 5.535 11.294 -8.666 1.00 0.00 H new ATOM 0 HA3 GLY A 92 4.003 12.032 -9.091 1.00 0.00 H new ATOM 1329 N SER A 93 3.954 12.978 -6.312 1.00 0.00 N ATOM 1330 CA SER A 93 4.008 13.961 -5.222 1.00 0.00 C ATOM 1331 C SER A 93 2.827 13.732 -4.266 1.00 0.00 C ATOM 1332 O SER A 93 1.857 13.057 -4.626 1.00 0.00 O ATOM 1333 CB SER A 93 3.980 15.405 -5.755 1.00 0.00 C ATOM 1334 OG SER A 93 4.286 16.333 -4.721 1.00 0.00 O ATOM 0 H SER A 93 3.101 12.420 -6.272 1.00 0.00 H new ATOM 0 HA SER A 93 4.949 13.824 -4.689 1.00 0.00 H new ATOM 0 HB2 SER A 93 4.698 15.511 -6.568 1.00 0.00 H new ATOM 0 HB3 SER A 93 2.996 15.626 -6.168 1.00 0.00 H new ATOM 0 HG SER A 93 4.264 17.244 -5.082 1.00 0.00 H new ATOM 1339 N ALA A 94 2.878 14.306 -3.058 1.00 0.00 N ATOM 1340 CA ALA A 94 1.831 14.194 -2.045 1.00 0.00 C ATOM 1341 C ALA A 94 0.462 14.636 -2.577 1.00 0.00 C ATOM 1342 O ALA A 94 -0.528 13.987 -2.275 1.00 0.00 O ATOM 1343 CB ALA A 94 2.266 14.998 -0.819 1.00 0.00 C ATOM 0 H ALA A 94 3.669 14.874 -2.754 1.00 0.00 H new ATOM 0 HA ALA A 94 1.704 13.148 -1.765 1.00 0.00 H new ATOM 0 HB1 ALA A 94 1.499 14.929 -0.048 1.00 0.00 H new ATOM 0 HB2 ALA A 94 3.204 14.597 -0.435 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.406 16.042 -1.099 1.00 0.00 H new ATOM 1349 N SER A 95 0.408 15.630 -3.459 1.00 0.00 N ATOM 1350 CA SER A 95 -0.828 16.044 -4.147 1.00 0.00 C ATOM 1351 C SER A 95 -1.530 14.890 -4.894 1.00 0.00 C ATOM 1352 O SER A 95 -2.760 14.815 -4.884 1.00 0.00 O ATOM 1353 CB SER A 95 -0.494 17.179 -5.122 1.00 0.00 C ATOM 1354 OG SER A 95 0.540 16.800 -6.024 1.00 0.00 O ATOM 0 H SER A 95 1.224 16.181 -3.724 1.00 0.00 H new ATOM 0 HA SER A 95 -1.530 16.380 -3.384 1.00 0.00 H new ATOM 0 HB2 SER A 95 -1.387 17.453 -5.684 1.00 0.00 H new ATOM 0 HB3 SER A 95 -0.186 18.062 -4.563 1.00 0.00 H new ATOM 0 HG SER A 95 0.730 17.543 -6.634 1.00 0.00 H new ATOM 1359 N VAL A 96 -0.772 13.961 -5.495 1.00 0.00 N ATOM 1360 CA VAL A 96 -1.284 12.790 -6.227 1.00 0.00 C ATOM 1361 C VAL A 96 -1.687 11.672 -5.257 1.00 0.00 C ATOM 1362 O VAL A 96 -2.731 11.039 -5.432 1.00 0.00 O ATOM 1363 CB VAL A 96 -0.228 12.257 -7.229 1.00 0.00 C ATOM 1364 CG1 VAL A 96 -0.771 11.076 -8.048 1.00 0.00 C ATOM 1365 CG2 VAL A 96 0.244 13.356 -8.200 1.00 0.00 C ATOM 0 H VAL A 96 0.247 14.004 -5.485 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.166 13.109 -6.783 1.00 0.00 H new ATOM 0 HB VAL A 96 0.618 11.922 -6.629 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -0.003 10.729 -8.739 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.048 10.264 -7.376 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.648 11.396 -8.611 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.983 12.943 -8.886 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.608 13.730 -8.768 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.691 14.174 -7.635 1.00 0.00 H new ATOM 1375 N LEU A 97 -0.880 11.441 -4.212 1.00 0.00 N ATOM 1376 CA LEU A 97 -1.153 10.411 -3.214 1.00 0.00 C ATOM 1377 C LEU A 97 -2.358 10.773 -2.335 1.00 0.00 C ATOM 1378 O LEU A 97 -3.278 9.971 -2.207 1.00 0.00 O ATOM 1379 CB LEU A 97 0.131 10.132 -2.403 1.00 0.00 C ATOM 1380 CG LEU A 97 0.490 8.633 -2.398 1.00 0.00 C ATOM 1381 CD1 LEU A 97 1.810 8.388 -1.682 1.00 0.00 C ATOM 1382 CD2 LEU A 97 -0.650 7.856 -1.748 1.00 0.00 C ATOM 0 H LEU A 97 -0.022 11.965 -4.040 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.437 9.487 -3.717 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.958 10.703 -2.825 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.004 10.477 -1.378 1.00 0.00 H new ATOM 0 HG LEU A 97 0.620 8.286 -3.423 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.038 7.322 -1.694 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.605 8.935 -2.188 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.733 8.731 -0.650 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.407 6.793 -1.739 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.791 8.205 -0.725 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.567 8.014 -2.315 1.00 0.00 H new ATOM 1393 N GLU A 98 -2.392 11.991 -1.791 1.00 0.00 N ATOM 1394 CA GLU A 98 -3.527 12.539 -1.040 1.00 0.00 C ATOM 1395 C GLU A 98 -4.835 12.536 -1.837 1.00 0.00 C ATOM 1396 O GLU A 98 -5.871 12.160 -1.285 1.00 0.00 O ATOM 1397 CB GLU A 98 -3.225 13.974 -0.572 1.00 0.00 C ATOM 1398 CG GLU A 98 -2.123 14.093 0.488 1.00 0.00 C ATOM 1399 CD GLU A 98 -1.966 15.552 0.944 1.00 0.00 C ATOM 1400 OE1 GLU A 98 -2.691 15.979 1.879 1.00 0.00 O ATOM 1401 OE2 GLU A 98 -1.125 16.283 0.365 1.00 0.00 O ATOM 0 H GLU A 98 -1.610 12.642 -1.862 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.664 11.882 -0.181 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -2.940 14.570 -1.439 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -4.141 14.410 -0.173 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -2.365 13.463 1.344 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -1.179 13.730 0.081 1.00 0.00 H new ATOM 1406 N GLU A 99 -4.795 12.903 -3.127 1.00 0.00 N ATOM 1407 CA GLU A 99 -5.953 12.887 -4.040 1.00 0.00 C ATOM 1408 C GLU A 99 -6.602 11.499 -4.143 1.00 0.00 C ATOM 1409 O GLU A 99 -7.825 11.375 -4.246 1.00 0.00 O ATOM 1410 CB GLU A 99 -5.507 13.358 -5.438 1.00 0.00 C ATOM 1411 CG GLU A 99 -6.545 13.133 -6.540 1.00 0.00 C ATOM 1412 CD GLU A 99 -6.244 13.982 -7.783 1.00 0.00 C ATOM 1413 OE1 GLU A 99 -6.737 15.133 -7.872 1.00 0.00 O ATOM 1414 OE2 GLU A 99 -5.547 13.494 -8.702 1.00 0.00 O ATOM 0 H GLU A 99 -3.938 13.227 -3.576 1.00 0.00 H new ATOM 0 HA GLU A 99 -6.704 13.563 -3.631 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -5.268 14.421 -5.391 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -4.589 12.837 -5.708 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -6.562 12.078 -6.815 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -7.537 13.380 -6.162 1.00 0.00 H new ATOM 1419 N ALA A 100 -5.803 10.436 -4.101 1.00 0.00 N ATOM 1420 CA ALA A 100 -6.327 9.081 -4.024 1.00 0.00 C ATOM 1421 C ALA A 100 -6.849 8.762 -2.619 1.00 0.00 C ATOM 1422 O ALA A 100 -7.986 8.311 -2.485 1.00 0.00 O ATOM 1423 CB ALA A 100 -5.244 8.117 -4.499 1.00 0.00 C ATOM 0 H ALA A 100 -4.785 10.491 -4.119 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.192 8.973 -4.679 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -5.619 7.095 -4.448 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -4.972 8.353 -5.528 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.366 8.213 -3.861 1.00 0.00 H new ATOM 1429 N PHE A 101 -6.090 9.067 -1.562 1.00 0.00 N ATOM 1430 CA PHE A 101 -6.479 8.754 -0.186 1.00 0.00 C ATOM 1431 C PHE A 101 -7.863 9.326 0.155 1.00 0.00 C ATOM 1432 O PHE A 101 -8.742 8.586 0.599 1.00 0.00 O ATOM 1433 CB PHE A 101 -5.410 9.245 0.788 1.00 0.00 C ATOM 1434 CG PHE A 101 -4.424 8.171 1.219 1.00 0.00 C ATOM 1435 CD1 PHE A 101 -3.459 7.654 0.328 1.00 0.00 C ATOM 1436 CD2 PHE A 101 -4.473 7.685 2.541 1.00 0.00 C ATOM 1437 CE1 PHE A 101 -2.535 6.697 0.770 1.00 0.00 C ATOM 1438 CE2 PHE A 101 -3.549 6.718 2.974 1.00 0.00 C ATOM 1439 CZ PHE A 101 -2.574 6.239 2.088 1.00 0.00 C ATOM 0 H PHE A 101 -5.188 9.538 -1.638 1.00 0.00 H new ATOM 0 HA PHE A 101 -6.556 7.671 -0.090 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -4.860 10.064 0.324 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -5.899 9.651 1.674 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.432 7.996 -0.696 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -5.223 8.057 3.224 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -1.790 6.313 0.089 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -3.590 6.345 3.987 1.00 0.00 H new ATOM 0 HZ PHE A 101 -1.850 5.513 2.427 1.00 0.00 H new ATOM 1448 N GLU A 102 -8.084 10.617 -0.112 1.00 0.00 N ATOM 1449 CA GLU A 102 -9.380 11.263 0.109 1.00 0.00 C ATOM 1450 C GLU A 102 -10.509 10.650 -0.726 1.00 0.00 C ATOM 1451 O GLU A 102 -11.641 10.557 -0.256 1.00 0.00 O ATOM 1452 CB GLU A 102 -9.312 12.778 -0.124 1.00 0.00 C ATOM 1453 CG GLU A 102 -8.782 13.236 -1.487 1.00 0.00 C ATOM 1454 CD GLU A 102 -9.818 14.049 -2.276 1.00 0.00 C ATOM 1455 OE1 GLU A 102 -9.939 15.272 -2.017 1.00 0.00 O ATOM 1456 OE2 GLU A 102 -10.502 13.483 -3.162 1.00 0.00 O ATOM 0 H GLU A 102 -7.370 11.242 -0.487 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.618 11.082 1.157 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -10.313 13.189 0.009 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -8.683 13.215 0.651 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -7.886 13.839 -1.341 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -8.488 12.364 -2.071 1.00 0.00 H new ATOM 1461 N SER A 103 -10.211 10.171 -1.932 1.00 0.00 N ATOM 1462 CA SER A 103 -11.199 9.502 -2.785 1.00 0.00 C ATOM 1463 C SER A 103 -11.658 8.148 -2.210 1.00 0.00 C ATOM 1464 O SER A 103 -12.829 7.781 -2.343 1.00 0.00 O ATOM 1465 CB SER A 103 -10.634 9.333 -4.203 1.00 0.00 C ATOM 1466 OG SER A 103 -11.628 8.903 -5.121 1.00 0.00 O ATOM 0 H SER A 103 -9.281 10.234 -2.347 1.00 0.00 H new ATOM 0 HA SER A 103 -12.085 10.136 -2.822 1.00 0.00 H new ATOM 0 HB2 SER A 103 -10.213 10.280 -4.541 1.00 0.00 H new ATOM 0 HB3 SER A 103 -9.819 8.610 -4.185 1.00 0.00 H new ATOM 0 HG SER A 103 -11.231 8.808 -6.012 1.00 0.00 H new ATOM 1471 N LEU A 104 -10.763 7.424 -1.517 1.00 0.00 N ATOM 1472 CA LEU A 104 -11.057 6.093 -0.958 1.00 0.00 C ATOM 1473 C LEU A 104 -11.524 6.148 0.505 1.00 0.00 C ATOM 1474 O LEU A 104 -12.274 5.269 0.938 1.00 0.00 O ATOM 1475 CB LEU A 104 -9.851 5.145 -1.147 1.00 0.00 C ATOM 1476 CG LEU A 104 -9.595 4.630 -2.588 1.00 0.00 C ATOM 1477 CD1 LEU A 104 -10.886 4.358 -3.375 1.00 0.00 C ATOM 1478 CD2 LEU A 104 -8.719 5.588 -3.398 1.00 0.00 C ATOM 0 H LEU A 104 -9.814 7.746 -1.328 1.00 0.00 H new ATOM 0 HA LEU A 104 -11.899 5.687 -1.519 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.954 5.661 -0.805 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.990 4.282 -0.496 1.00 0.00 H new ATOM 0 HG LEU A 104 -9.071 3.684 -2.451 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -10.635 4.001 -4.374 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -11.476 3.602 -2.857 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -11.465 5.278 -3.454 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -8.568 5.184 -4.399 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.210 6.559 -3.468 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.754 5.704 -2.904 1.00 0.00 H new ATOM 1489 N VAL A 105 -11.133 7.185 1.251 1.00 0.00 N ATOM 1490 CA VAL A 105 -11.617 7.447 2.614 1.00 0.00 C ATOM 1491 C VAL A 105 -13.053 8.003 2.614 1.00 0.00 C ATOM 1492 O VAL A 105 -13.793 7.786 3.571 1.00 0.00 O ATOM 1493 CB VAL A 105 -10.635 8.380 3.369 1.00 0.00 C ATOM 1494 CG1 VAL A 105 -11.022 9.866 3.325 1.00 0.00 C ATOM 1495 CG2 VAL A 105 -10.460 7.941 4.820 1.00 0.00 C ATOM 0 H VAL A 105 -10.461 7.878 0.922 1.00 0.00 H new ATOM 0 HA VAL A 105 -11.653 6.497 3.147 1.00 0.00 H new ATOM 0 HB VAL A 105 -9.690 8.284 2.835 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -10.285 10.450 3.876 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -11.052 10.204 2.289 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -12.004 10.000 3.779 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -9.766 8.615 5.323 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -11.424 7.969 5.327 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -10.065 6.926 4.848 1.00 0.00 H new ATOM 1505 N GLY A 106 -13.447 8.711 1.544 1.00 0.00 N ATOM 1506 CA GLY A 106 -14.763 9.329 1.342 1.00 0.00 C ATOM 1507 C GLY A 106 -14.777 10.856 1.457 1.00 0.00 C ATOM 1508 O GLY A 106 -15.739 11.486 1.019 1.00 0.00 O ATOM 0 H GLY A 106 -12.821 8.875 0.755 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -15.133 9.049 0.356 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -15.459 8.917 2.073 1.00 0.00 H new ATOM 1512 N GLU A 107 -13.706 11.466 1.978 1.00 0.00 N ATOM 1513 CA GLU A 107 -13.532 12.923 2.095 1.00 0.00 C ATOM 1514 C GLU A 107 -13.671 13.658 0.747 1.00 0.00 C ATOM 1515 O GLU A 107 -14.158 14.788 0.708 1.00 0.00 O ATOM 1516 CB GLU A 107 -12.169 13.241 2.745 1.00 0.00 C ATOM 1517 CG GLU A 107 -12.248 13.337 4.277 1.00 0.00 C ATOM 1518 CD GLU A 107 -12.850 14.672 4.746 1.00 0.00 C ATOM 1519 OE1 GLU A 107 -12.336 15.738 4.337 1.00 0.00 O ATOM 1520 OE2 GLU A 107 -13.814 14.676 5.543 1.00 0.00 O ATOM 0 H GLU A 107 -12.909 10.944 2.342 1.00 0.00 H new ATOM 0 HA GLU A 107 -14.338 13.290 2.731 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -11.451 12.468 2.470 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -11.792 14.182 2.345 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -12.851 12.514 4.660 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -11.249 13.223 4.698 1.00 0.00 H new ATOM 1525 N GLY A 108 -13.336 12.997 -0.364 1.00 0.00 N ATOM 1526 CA GLY A 108 -13.482 13.542 -1.723 1.00 0.00 C ATOM 1527 C GLY A 108 -14.929 13.773 -2.171 1.00 0.00 C ATOM 1528 O GLY A 108 -15.157 14.517 -3.127 1.00 0.00 O ATOM 0 H GLY A 108 -12.949 12.053 -0.348 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -12.944 14.488 -1.780 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -13.003 12.860 -2.426 1.00 0.00 H new TER 1532 GLY A 108