USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 606 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 51 GLN : amide:sc= -3.08 K(o=-5.5,f=-10!) USER MOD Set 1.2: A 86 MET CE :methyl -115:sc= -2.41 (180deg=-7.01!) USER MOD Single : A 3 MET CE :methyl 179:sc= -0.968 (180deg=-1.01) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.189 K(o=-0.19,f=-1.6!) USER MOD Single : A 7 GLN : amide:sc= -4.52! C(o=-4.5!,f=-9.5!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 150:sc= -0.419 (180deg=-2.32!) USER MOD Single : A 23 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.0949) USER MOD Single : A 28 MET CE :methyl -147:sc= -0.0986 (180deg=-0.703) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 149:sc= 1.27 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 161:sc= -2.87! (180deg=-4.21!) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -3.93! C(o=-3.9!,f=-5.9!) USER MOD Single : A 54 THR OG1 : rot -122:sc= -4.27! USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -27:sc= 0.234 USER MOD Single : A 81 MET CE :methyl 172:sc= -1.76! (180deg=-1.84!) USER MOD Single : A 82 MET CE :methyl -161:sc= -7.03! (180deg=-8.74!) USER MOD Single : A 85 GLN : amide:sc= -3.11 K(o=-3.1,f=-4.8!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 24 N MET A 3 65.042 -5.461 -11.350 1.00 0.00 N ATOM 25 CA MET A 3 65.026 -4.498 -10.212 1.00 0.00 C ATOM 26 C MET A 3 63.670 -3.793 -10.135 1.00 0.00 C ATOM 27 O MET A 3 63.024 -3.778 -9.105 1.00 0.00 O ATOM 28 CB MET A 3 66.136 -3.494 -10.524 1.00 0.00 C ATOM 29 CG MET A 3 67.448 -3.975 -9.903 1.00 0.00 C ATOM 30 SD MET A 3 68.501 -2.549 -9.539 1.00 0.00 S ATOM 31 CE MET A 3 69.713 -2.817 -10.856 1.00 0.00 C ATOM 0 HA MET A 3 65.182 -4.991 -9.253 1.00 0.00 H new ATOM 0 HB2 MET A 3 66.250 -3.385 -11.603 1.00 0.00 H new ATOM 0 HB3 MET A 3 65.874 -2.512 -10.131 1.00 0.00 H new ATOM 0 HG2 MET A 3 67.247 -4.535 -8.990 1.00 0.00 H new ATOM 0 HG3 MET A 3 67.959 -4.653 -10.586 1.00 0.00 H new ATOM 0 HE1 MET A 3 70.462 -2.025 -10.828 1.00 0.00 H new ATOM 0 HE2 MET A 3 70.200 -3.782 -10.712 1.00 0.00 H new ATOM 0 HE3 MET A 3 69.209 -2.806 -11.822 1.00 0.00 H new ATOM 41 N THR A 4 63.233 -3.210 -11.216 1.00 0.00 N ATOM 42 CA THR A 4 61.919 -2.506 -11.206 1.00 0.00 C ATOM 43 C THR A 4 60.836 -3.418 -10.622 1.00 0.00 C ATOM 44 O THR A 4 59.847 -2.959 -10.082 1.00 0.00 O ATOM 45 CB THR A 4 61.624 -2.195 -12.674 1.00 0.00 C ATOM 46 OG1 THR A 4 60.462 -1.382 -12.761 1.00 0.00 O ATOM 47 CG2 THR A 4 61.396 -3.499 -13.439 1.00 0.00 C ATOM 0 H THR A 4 63.729 -3.190 -12.107 1.00 0.00 H new ATOM 0 HA THR A 4 61.938 -1.604 -10.595 1.00 0.00 H new ATOM 0 HB THR A 4 62.471 -1.665 -13.110 1.00 0.00 H new ATOM 0 HG1 THR A 4 60.273 -1.181 -13.701 1.00 0.00 H new ATOM 0 HG21 THR A 4 61.186 -3.275 -14.485 1.00 0.00 H new ATOM 0 HG22 THR A 4 62.289 -4.120 -13.373 1.00 0.00 H new ATOM 0 HG23 THR A 4 60.550 -4.032 -13.005 1.00 0.00 H new ATOM 55 N ASP A 5 61.015 -4.707 -10.723 1.00 0.00 N ATOM 56 CA ASP A 5 59.996 -5.647 -10.173 1.00 0.00 C ATOM 57 C ASP A 5 60.206 -5.833 -8.667 1.00 0.00 C ATOM 58 O ASP A 5 59.305 -5.637 -7.876 1.00 0.00 O ATOM 59 CB ASP A 5 60.231 -6.965 -10.913 1.00 0.00 C ATOM 60 CG ASP A 5 59.143 -7.969 -10.527 1.00 0.00 C ATOM 61 OD1 ASP A 5 58.608 -7.842 -9.438 1.00 0.00 O ATOM 62 OD2 ASP A 5 58.864 -8.847 -11.327 1.00 0.00 O ATOM 0 H ASP A 5 61.822 -5.150 -11.162 1.00 0.00 H new ATOM 0 HA ASP A 5 58.979 -5.279 -10.309 1.00 0.00 H new ATOM 0 HB2 ASP A 5 60.220 -6.797 -11.990 1.00 0.00 H new ATOM 0 HB3 ASP A 5 61.214 -7.364 -10.663 1.00 0.00 H new ATOM 67 N GLN A 6 61.391 -6.205 -8.265 1.00 0.00 N ATOM 68 CA GLN A 6 61.659 -6.401 -6.810 1.00 0.00 C ATOM 69 C GLN A 6 61.284 -5.139 -6.029 1.00 0.00 C ATOM 70 O GLN A 6 61.088 -5.173 -4.831 1.00 0.00 O ATOM 71 CB GLN A 6 63.163 -6.664 -6.717 1.00 0.00 C ATOM 72 CG GLN A 6 63.421 -7.801 -5.728 1.00 0.00 C ATOM 73 CD GLN A 6 64.182 -8.927 -6.432 1.00 0.00 C ATOM 74 OE1 GLN A 6 64.941 -8.682 -7.350 1.00 0.00 O ATOM 75 NE2 GLN A 6 64.010 -10.160 -6.040 1.00 0.00 N ATOM 0 H GLN A 6 62.185 -6.382 -8.880 1.00 0.00 H new ATOM 0 HA GLN A 6 61.076 -7.219 -6.388 1.00 0.00 H new ATOM 0 HB2 GLN A 6 63.559 -6.925 -7.699 1.00 0.00 H new ATOM 0 HB3 GLN A 6 63.682 -5.761 -6.393 1.00 0.00 H new ATOM 0 HG2 GLN A 6 63.997 -7.434 -4.878 1.00 0.00 H new ATOM 0 HG3 GLN A 6 62.476 -8.177 -5.335 1.00 0.00 H new ATOM 0 HE21 GLN A 6 63.374 -10.366 -5.270 1.00 0.00 H new ATOM 0 HE22 GLN A 6 64.512 -10.917 -6.504 1.00 0.00 H new ATOM 84 N GLN A 7 61.181 -4.026 -6.700 1.00 0.00 N ATOM 85 CA GLN A 7 60.817 -2.763 -5.996 1.00 0.00 C ATOM 86 C GLN A 7 59.319 -2.747 -5.683 1.00 0.00 C ATOM 87 O GLN A 7 58.906 -2.391 -4.598 1.00 0.00 O ATOM 88 CB GLN A 7 61.170 -1.646 -6.980 1.00 0.00 C ATOM 89 CG GLN A 7 61.040 -0.291 -6.281 1.00 0.00 C ATOM 90 CD GLN A 7 59.935 0.526 -6.953 1.00 0.00 C ATOM 91 OE1 GLN A 7 59.158 1.181 -6.287 1.00 0.00 O ATOM 92 NE2 GLN A 7 59.830 0.514 -8.253 1.00 0.00 N ATOM 0 H GLN A 7 61.333 -3.935 -7.705 1.00 0.00 H new ATOM 0 HA GLN A 7 61.342 -2.652 -5.047 1.00 0.00 H new ATOM 0 HB2 GLN A 7 62.186 -1.780 -7.350 1.00 0.00 H new ATOM 0 HB3 GLN A 7 60.508 -1.686 -7.845 1.00 0.00 H new ATOM 0 HG2 GLN A 7 60.810 -0.435 -5.225 1.00 0.00 H new ATOM 0 HG3 GLN A 7 61.986 0.248 -6.330 1.00 0.00 H new ATOM 0 HE21 GLN A 7 60.482 -0.036 -8.812 1.00 0.00 H new ATOM 0 HE22 GLN A 7 59.096 1.054 -8.710 1.00 0.00 H new ATOM 101 N ALA A 8 58.504 -3.130 -6.628 1.00 0.00 N ATOM 102 CA ALA A 8 57.031 -3.137 -6.389 1.00 0.00 C ATOM 103 C ALA A 8 56.704 -3.885 -5.093 1.00 0.00 C ATOM 104 O ALA A 8 56.172 -3.322 -4.157 1.00 0.00 O ATOM 105 CB ALA A 8 56.440 -3.869 -7.594 1.00 0.00 C ATOM 0 H ALA A 8 58.794 -3.439 -7.556 1.00 0.00 H new ATOM 0 HA ALA A 8 56.626 -2.131 -6.282 1.00 0.00 H new ATOM 0 HB1 ALA A 8 55.356 -3.917 -7.495 1.00 0.00 H new ATOM 0 HB2 ALA A 8 56.697 -3.333 -8.507 1.00 0.00 H new ATOM 0 HB3 ALA A 8 56.845 -4.880 -7.640 1.00 0.00 H new ATOM 111 N GLU A 9 57.014 -5.151 -5.033 1.00 0.00 N ATOM 112 CA GLU A 9 56.717 -5.933 -3.799 1.00 0.00 C ATOM 113 C GLU A 9 57.678 -5.536 -2.676 1.00 0.00 C ATOM 114 O GLU A 9 57.584 -6.019 -1.566 1.00 0.00 O ATOM 115 CB GLU A 9 56.931 -7.393 -4.195 1.00 0.00 C ATOM 116 CG GLU A 9 56.022 -8.290 -3.354 1.00 0.00 C ATOM 117 CD GLU A 9 56.277 -9.754 -3.714 1.00 0.00 C ATOM 118 OE1 GLU A 9 55.654 -10.231 -4.649 1.00 0.00 O ATOM 119 OE2 GLU A 9 57.091 -10.375 -3.050 1.00 0.00 O ATOM 0 H GLU A 9 57.460 -5.678 -5.784 1.00 0.00 H new ATOM 0 HA GLU A 9 55.707 -5.754 -3.430 1.00 0.00 H new ATOM 0 HB2 GLU A 9 56.714 -7.529 -5.254 1.00 0.00 H new ATOM 0 HB3 GLU A 9 57.974 -7.672 -4.045 1.00 0.00 H new ATOM 0 HG2 GLU A 9 56.212 -8.127 -2.293 1.00 0.00 H new ATOM 0 HG3 GLU A 9 54.977 -8.037 -3.533 1.00 0.00 H new ATOM 126 N ALA A 10 58.604 -4.661 -2.956 1.00 0.00 N ATOM 127 CA ALA A 10 59.571 -4.239 -1.903 1.00 0.00 C ATOM 128 C ALA A 10 58.930 -3.201 -0.974 1.00 0.00 C ATOM 129 O ALA A 10 59.252 -3.120 0.194 1.00 0.00 O ATOM 130 CB ALA A 10 60.748 -3.631 -2.667 1.00 0.00 C ATOM 0 H ALA A 10 58.733 -4.220 -3.867 1.00 0.00 H new ATOM 0 HA ALA A 10 59.883 -5.071 -1.272 1.00 0.00 H new ATOM 0 HB1 ALA A 10 61.506 -3.295 -1.960 1.00 0.00 H new ATOM 0 HB2 ALA A 10 61.178 -4.382 -3.330 1.00 0.00 H new ATOM 0 HB3 ALA A 10 60.400 -2.783 -3.256 1.00 0.00 H new ATOM 136 N ARG A 11 58.023 -2.408 -1.482 1.00 0.00 N ATOM 137 CA ARG A 11 57.366 -1.381 -0.618 1.00 0.00 C ATOM 138 C ARG A 11 56.109 -1.968 0.024 1.00 0.00 C ATOM 139 O ARG A 11 55.800 -1.707 1.169 1.00 0.00 O ATOM 140 CB ARG A 11 56.976 -0.227 -1.549 1.00 0.00 C ATOM 141 CG ARG A 11 58.020 -0.041 -2.655 1.00 0.00 C ATOM 142 CD ARG A 11 57.393 -0.402 -4.002 1.00 0.00 C ATOM 143 NE ARG A 11 56.309 0.601 -4.199 1.00 0.00 N ATOM 144 CZ ARG A 11 56.161 1.186 -5.356 1.00 0.00 C ATOM 145 NH1 ARG A 11 56.989 2.125 -5.725 1.00 0.00 N ATOM 146 NH2 ARG A 11 55.183 0.833 -6.143 1.00 0.00 N ATOM 0 H ARG A 11 57.710 -2.426 -2.452 1.00 0.00 H new ATOM 0 HA ARG A 11 58.030 -1.049 0.180 1.00 0.00 H new ATOM 0 HB2 ARG A 11 56.001 -0.426 -1.993 1.00 0.00 H new ATOM 0 HB3 ARG A 11 56.882 0.694 -0.974 1.00 0.00 H new ATOM 0 HG2 ARG A 11 58.373 0.990 -2.669 1.00 0.00 H new ATOM 0 HG3 ARG A 11 58.888 -0.672 -2.463 1.00 0.00 H new ATOM 0 HD2 ARG A 11 58.128 -0.353 -4.806 1.00 0.00 H new ATOM 0 HD3 ARG A 11 56.996 -1.417 -3.994 1.00 0.00 H new ATOM 0 HE ARG A 11 55.682 0.831 -3.428 1.00 0.00 H new ATOM 0 HH11 ARG A 11 57.753 2.402 -5.109 1.00 0.00 H new ATOM 0 HH12 ARG A 11 56.872 2.581 -6.630 1.00 0.00 H new ATOM 0 HH21 ARG A 11 54.535 0.100 -5.854 1.00 0.00 H new ATOM 0 HH22 ARG A 11 55.066 1.290 -7.048 1.00 0.00 H new ATOM 160 N ALA A 12 55.377 -2.752 -0.717 1.00 0.00 N ATOM 161 CA ALA A 12 54.128 -3.355 -0.172 1.00 0.00 C ATOM 162 C ALA A 12 54.399 -4.039 1.171 1.00 0.00 C ATOM 163 O ALA A 12 53.575 -4.017 2.064 1.00 0.00 O ATOM 164 CB ALA A 12 53.705 -4.379 -1.224 1.00 0.00 C ATOM 0 H ALA A 12 55.591 -3.003 -1.682 1.00 0.00 H new ATOM 0 HA ALA A 12 53.355 -2.609 0.014 1.00 0.00 H new ATOM 0 HB1 ALA A 12 52.788 -4.874 -0.902 1.00 0.00 H new ATOM 0 HB2 ALA A 12 53.531 -3.874 -2.174 1.00 0.00 H new ATOM 0 HB3 ALA A 12 54.494 -5.121 -1.347 1.00 0.00 H new ATOM 170 N PHE A 13 55.542 -4.648 1.324 1.00 0.00 N ATOM 171 CA PHE A 13 55.849 -5.329 2.613 1.00 0.00 C ATOM 172 C PHE A 13 55.780 -4.329 3.770 1.00 0.00 C ATOM 173 O PHE A 13 55.422 -4.671 4.879 1.00 0.00 O ATOM 174 CB PHE A 13 57.271 -5.865 2.457 1.00 0.00 C ATOM 175 CG PHE A 13 57.754 -6.389 3.788 1.00 0.00 C ATOM 176 CD1 PHE A 13 57.323 -7.640 4.245 1.00 0.00 C ATOM 177 CD2 PHE A 13 58.630 -5.624 4.566 1.00 0.00 C ATOM 178 CE1 PHE A 13 57.766 -8.125 5.480 1.00 0.00 C ATOM 179 CE2 PHE A 13 59.075 -6.108 5.802 1.00 0.00 C ATOM 180 CZ PHE A 13 58.643 -7.359 6.260 1.00 0.00 C ATOM 0 H PHE A 13 56.274 -4.704 0.616 1.00 0.00 H new ATOM 0 HA PHE A 13 55.137 -6.124 2.834 1.00 0.00 H new ATOM 0 HB2 PHE A 13 57.293 -6.659 1.711 1.00 0.00 H new ATOM 0 HB3 PHE A 13 57.933 -5.075 2.102 1.00 0.00 H new ATOM 0 HD1 PHE A 13 56.648 -8.231 3.644 1.00 0.00 H new ATOM 0 HD2 PHE A 13 58.963 -4.659 4.213 1.00 0.00 H new ATOM 0 HE1 PHE A 13 57.432 -9.090 5.832 1.00 0.00 H new ATOM 0 HE2 PHE A 13 59.751 -5.517 6.402 1.00 0.00 H new ATOM 0 HZ PHE A 13 58.985 -7.733 7.214 1.00 0.00 H new ATOM 190 N LEU A 14 56.120 -3.094 3.520 1.00 0.00 N ATOM 191 CA LEU A 14 56.074 -2.073 4.606 1.00 0.00 C ATOM 192 C LEU A 14 54.738 -1.329 4.577 1.00 0.00 C ATOM 193 O LEU A 14 54.355 -0.761 3.573 1.00 0.00 O ATOM 194 CB LEU A 14 57.226 -1.115 4.302 1.00 0.00 C ATOM 195 CG LEU A 14 58.491 -1.917 3.996 1.00 0.00 C ATOM 196 CD1 LEU A 14 58.658 -2.048 2.482 1.00 0.00 C ATOM 197 CD2 LEU A 14 59.705 -1.194 4.583 1.00 0.00 C ATOM 0 H LEU A 14 56.428 -2.748 2.611 1.00 0.00 H new ATOM 0 HA LEU A 14 56.167 -2.521 5.595 1.00 0.00 H new ATOM 0 HB2 LEU A 14 56.971 -0.481 3.453 1.00 0.00 H new ATOM 0 HB3 LEU A 14 57.398 -0.455 5.152 1.00 0.00 H new ATOM 0 HG LEU A 14 58.409 -2.910 4.439 1.00 0.00 H new ATOM 0 HD11 LEU A 14 59.560 -2.620 2.264 1.00 0.00 H new ATOM 0 HD12 LEU A 14 57.792 -2.562 2.064 1.00 0.00 H new ATOM 0 HD13 LEU A 14 58.741 -1.056 2.038 1.00 0.00 H new ATOM 0 HD21 LEU A 14 60.608 -1.764 4.366 1.00 0.00 H new ATOM 0 HD22 LEU A 14 59.787 -0.202 4.140 1.00 0.00 H new ATOM 0 HD23 LEU A 14 59.586 -1.100 5.662 1.00 0.00 H new ATOM 209 N SER A 15 54.027 -1.322 5.670 1.00 0.00 N ATOM 210 CA SER A 15 52.718 -0.610 5.701 1.00 0.00 C ATOM 211 C SER A 15 52.936 0.893 5.505 1.00 0.00 C ATOM 212 O SER A 15 53.906 1.455 5.973 1.00 0.00 O ATOM 213 CB SER A 15 52.144 -0.893 7.088 1.00 0.00 C ATOM 214 OG SER A 15 51.141 -1.897 6.984 1.00 0.00 O ATOM 0 H SER A 15 54.295 -1.778 6.542 1.00 0.00 H new ATOM 0 HA SER A 15 52.046 -0.942 4.910 1.00 0.00 H new ATOM 0 HB2 SER A 15 52.935 -1.221 7.762 1.00 0.00 H new ATOM 0 HB3 SER A 15 51.721 0.018 7.512 1.00 0.00 H new ATOM 0 HG SER A 15 50.771 -2.083 7.872 1.00 0.00 H new ATOM 220 N GLU A 16 52.043 1.547 4.815 1.00 0.00 N ATOM 221 CA GLU A 16 52.201 3.011 4.587 1.00 0.00 C ATOM 222 C GLU A 16 52.661 3.703 5.874 1.00 0.00 C ATOM 223 O GLU A 16 53.295 4.738 5.841 1.00 0.00 O ATOM 224 CB GLU A 16 50.811 3.499 4.181 1.00 0.00 C ATOM 225 CG GLU A 16 50.869 4.994 3.864 1.00 0.00 C ATOM 226 CD GLU A 16 49.875 5.317 2.748 1.00 0.00 C ATOM 227 OE1 GLU A 16 49.176 4.411 2.323 1.00 0.00 O ATOM 228 OE2 GLU A 16 49.827 6.465 2.337 1.00 0.00 O ATOM 0 H GLU A 16 51.210 1.131 4.399 1.00 0.00 H new ATOM 0 HA GLU A 16 52.949 3.232 3.826 1.00 0.00 H new ATOM 0 HB2 GLU A 16 50.459 2.945 3.311 1.00 0.00 H new ATOM 0 HB3 GLU A 16 50.099 3.314 4.986 1.00 0.00 H new ATOM 0 HG2 GLU A 16 50.633 5.575 4.755 1.00 0.00 H new ATOM 0 HG3 GLU A 16 51.878 5.273 3.559 1.00 0.00 H new ATOM 235 N GLU A 17 52.345 3.139 7.008 1.00 0.00 N ATOM 236 CA GLU A 17 52.765 3.766 8.294 1.00 0.00 C ATOM 237 C GLU A 17 54.275 3.611 8.490 1.00 0.00 C ATOM 238 O GLU A 17 54.972 4.557 8.797 1.00 0.00 O ATOM 239 CB GLU A 17 52.003 3.002 9.376 1.00 0.00 C ATOM 240 CG GLU A 17 52.112 3.753 10.705 1.00 0.00 C ATOM 241 CD GLU A 17 51.798 2.800 11.859 1.00 0.00 C ATOM 242 OE1 GLU A 17 51.084 1.838 11.630 1.00 0.00 O ATOM 243 OE2 GLU A 17 52.279 3.047 12.952 1.00 0.00 O ATOM 0 H GLU A 17 51.815 2.272 7.100 1.00 0.00 H new ATOM 0 HA GLU A 17 52.549 4.834 8.322 1.00 0.00 H new ATOM 0 HB2 GLU A 17 50.956 2.895 9.092 1.00 0.00 H new ATOM 0 HB3 GLU A 17 52.409 1.996 9.480 1.00 0.00 H new ATOM 0 HG2 GLU A 17 53.115 4.163 10.821 1.00 0.00 H new ATOM 0 HG3 GLU A 17 51.420 4.595 10.717 1.00 0.00 H new ATOM 250 N MET A 18 54.786 2.422 8.317 1.00 0.00 N ATOM 251 CA MET A 18 56.252 2.208 8.496 1.00 0.00 C ATOM 252 C MET A 18 57.033 2.951 7.410 1.00 0.00 C ATOM 253 O MET A 18 57.978 3.662 7.688 1.00 0.00 O ATOM 254 CB MET A 18 56.452 0.699 8.364 1.00 0.00 C ATOM 255 CG MET A 18 57.948 0.384 8.325 1.00 0.00 C ATOM 256 SD MET A 18 58.724 0.957 9.857 1.00 0.00 S ATOM 257 CE MET A 18 57.617 0.101 11.004 1.00 0.00 C ATOM 0 H MET A 18 54.254 1.591 8.060 1.00 0.00 H new ATOM 0 HA MET A 18 56.609 2.583 9.455 1.00 0.00 H new ATOM 0 HB2 MET A 18 55.983 0.185 9.203 1.00 0.00 H new ATOM 0 HB3 MET A 18 55.969 0.335 7.457 1.00 0.00 H new ATOM 0 HG2 MET A 18 58.102 -0.688 8.206 1.00 0.00 H new ATOM 0 HG3 MET A 18 58.411 0.870 7.466 1.00 0.00 H new ATOM 0 HE1 MET A 18 58.158 -0.143 11.918 1.00 0.00 H new ATOM 0 HE2 MET A 18 56.772 0.746 11.244 1.00 0.00 H new ATOM 0 HE3 MET A 18 57.253 -0.817 10.542 1.00 0.00 H new ATOM 267 N ILE A 19 56.647 2.793 6.173 1.00 0.00 N ATOM 268 CA ILE A 19 57.373 3.493 5.076 1.00 0.00 C ATOM 269 C ILE A 19 57.625 4.952 5.464 1.00 0.00 C ATOM 270 O ILE A 19 58.629 5.536 5.107 1.00 0.00 O ATOM 271 CB ILE A 19 56.443 3.409 3.867 1.00 0.00 C ATOM 272 CG1 ILE A 19 56.464 1.983 3.310 1.00 0.00 C ATOM 273 CG2 ILE A 19 56.918 4.384 2.787 1.00 0.00 C ATOM 274 CD1 ILE A 19 55.371 1.829 2.252 1.00 0.00 C ATOM 0 H ILE A 19 55.863 2.212 5.876 1.00 0.00 H new ATOM 0 HA ILE A 19 58.345 3.046 4.869 1.00 0.00 H new ATOM 0 HB ILE A 19 55.429 3.669 4.169 1.00 0.00 H new ATOM 0 HG12 ILE A 19 57.439 1.767 2.874 1.00 0.00 H new ATOM 0 HG13 ILE A 19 56.308 1.265 4.115 1.00 0.00 H new ATOM 0 HG21 ILE A 19 56.254 4.323 1.925 1.00 0.00 H new ATOM 0 HG22 ILE A 19 56.907 5.399 3.183 1.00 0.00 H new ATOM 0 HG23 ILE A 19 57.932 4.124 2.483 1.00 0.00 H new ATOM 0 HD11 ILE A 19 55.388 0.813 1.857 1.00 0.00 H new ATOM 0 HD12 ILE A 19 54.398 2.027 2.702 1.00 0.00 H new ATOM 0 HD13 ILE A 19 55.547 2.537 1.442 1.00 0.00 H new ATOM 286 N ALA A 20 56.723 5.543 6.199 1.00 0.00 N ATOM 287 CA ALA A 20 56.912 6.960 6.617 1.00 0.00 C ATOM 288 C ALA A 20 57.968 7.045 7.722 1.00 0.00 C ATOM 289 O ALA A 20 58.585 8.072 7.928 1.00 0.00 O ATOM 290 CB ALA A 20 55.548 7.404 7.145 1.00 0.00 C ATOM 0 H ALA A 20 55.863 5.105 6.528 1.00 0.00 H new ATOM 0 HA ALA A 20 57.255 7.591 5.797 1.00 0.00 H new ATOM 0 HB1 ALA A 20 55.605 8.442 7.474 1.00 0.00 H new ATOM 0 HB2 ALA A 20 54.805 7.315 6.353 1.00 0.00 H new ATOM 0 HB3 ALA A 20 55.260 6.773 7.985 1.00 0.00 H new ATOM 296 N GLU A 21 58.180 5.971 8.434 1.00 0.00 N ATOM 297 CA GLU A 21 59.195 5.987 9.525 1.00 0.00 C ATOM 298 C GLU A 21 60.607 6.002 8.933 1.00 0.00 C ATOM 299 O GLU A 21 61.462 6.750 9.360 1.00 0.00 O ATOM 300 CB GLU A 21 58.953 4.697 10.310 1.00 0.00 C ATOM 301 CG GLU A 21 60.128 4.445 11.258 1.00 0.00 C ATOM 302 CD GLU A 21 60.353 5.681 12.130 1.00 0.00 C ATOM 303 OE1 GLU A 21 59.392 6.391 12.376 1.00 0.00 O ATOM 304 OE2 GLU A 21 61.484 5.897 12.538 1.00 0.00 O ATOM 0 H GLU A 21 57.694 5.083 8.307 1.00 0.00 H new ATOM 0 HA GLU A 21 59.108 6.870 10.158 1.00 0.00 H new ATOM 0 HB2 GLU A 21 58.025 4.773 10.877 1.00 0.00 H new ATOM 0 HB3 GLU A 21 58.840 3.858 9.624 1.00 0.00 H new ATOM 0 HG2 GLU A 21 59.924 3.577 11.885 1.00 0.00 H new ATOM 0 HG3 GLU A 21 61.029 4.221 10.687 1.00 0.00 H new ATOM 311 N PHE A 22 60.856 5.178 7.951 1.00 0.00 N ATOM 312 CA PHE A 22 62.212 5.147 7.331 1.00 0.00 C ATOM 313 C PHE A 22 62.478 6.452 6.578 1.00 0.00 C ATOM 314 O PHE A 22 63.605 6.889 6.452 1.00 0.00 O ATOM 315 CB PHE A 22 62.177 3.962 6.360 1.00 0.00 C ATOM 316 CG PHE A 22 61.910 2.675 7.115 1.00 0.00 C ATOM 317 CD1 PHE A 22 61.927 2.657 8.517 1.00 0.00 C ATOM 318 CD2 PHE A 22 61.646 1.496 6.406 1.00 0.00 C ATOM 319 CE1 PHE A 22 61.682 1.463 9.205 1.00 0.00 C ATOM 320 CE2 PHE A 22 61.400 0.302 7.096 1.00 0.00 C ATOM 321 CZ PHE A 22 61.418 0.286 8.495 1.00 0.00 C ATOM 0 H PHE A 22 60.181 4.526 7.552 1.00 0.00 H new ATOM 0 HA PHE A 22 63.004 5.042 8.073 1.00 0.00 H new ATOM 0 HB2 PHE A 22 61.402 4.120 5.610 1.00 0.00 H new ATOM 0 HB3 PHE A 22 63.126 3.890 5.828 1.00 0.00 H new ATOM 0 HD1 PHE A 22 62.129 3.565 9.066 1.00 0.00 H new ATOM 0 HD2 PHE A 22 61.632 1.508 5.326 1.00 0.00 H new ATOM 0 HE1 PHE A 22 61.697 1.450 10.285 1.00 0.00 H new ATOM 0 HE2 PHE A 22 61.196 -0.606 6.548 1.00 0.00 H new ATOM 0 HZ PHE A 22 61.228 -0.635 9.027 1.00 0.00 H new ATOM 331 N LYS A 23 61.449 7.078 6.078 1.00 0.00 N ATOM 332 CA LYS A 23 61.642 8.356 5.334 1.00 0.00 C ATOM 333 C LYS A 23 62.587 9.281 6.105 1.00 0.00 C ATOM 334 O LYS A 23 63.702 9.531 5.692 1.00 0.00 O ATOM 335 CB LYS A 23 60.245 8.972 5.240 1.00 0.00 C ATOM 336 CG LYS A 23 60.244 10.080 4.186 1.00 0.00 C ATOM 337 CD LYS A 23 60.087 9.460 2.797 1.00 0.00 C ATOM 338 CE LYS A 23 59.622 10.532 1.808 1.00 0.00 C ATOM 339 NZ LYS A 23 60.823 11.379 1.568 1.00 0.00 N ATOM 0 H LYS A 23 60.482 6.761 6.152 1.00 0.00 H new ATOM 0 HA LYS A 23 62.086 8.199 4.351 1.00 0.00 H new ATOM 0 HB2 LYS A 23 59.515 8.206 4.978 1.00 0.00 H new ATOM 0 HB3 LYS A 23 59.949 9.376 6.208 1.00 0.00 H new ATOM 0 HG2 LYS A 23 59.430 10.779 4.378 1.00 0.00 H new ATOM 0 HG3 LYS A 23 61.172 10.649 4.240 1.00 0.00 H new ATOM 0 HD2 LYS A 23 61.035 9.034 2.468 1.00 0.00 H new ATOM 0 HD3 LYS A 23 59.365 8.644 2.831 1.00 0.00 H new ATOM 0 HE2 LYS A 23 59.262 10.085 0.881 1.00 0.00 H new ATOM 0 HE3 LYS A 23 58.800 11.119 2.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 60.689 11.932 0.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 60.958 12.025 2.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 61.661 10.772 1.467 1.00 0.00 H new ATOM 353 N ALA A 24 62.149 9.792 7.222 1.00 0.00 N ATOM 354 CA ALA A 24 63.018 10.703 8.021 1.00 0.00 C ATOM 355 C ALA A 24 64.420 10.106 8.176 1.00 0.00 C ATOM 356 O ALA A 24 65.380 10.811 8.417 1.00 0.00 O ATOM 357 CB ALA A 24 62.330 10.814 9.381 1.00 0.00 C ATOM 0 H ALA A 24 61.225 9.618 7.617 1.00 0.00 H new ATOM 0 HA ALA A 24 63.141 11.675 7.544 1.00 0.00 H new ATOM 0 HB1 ALA A 24 62.910 11.470 10.030 1.00 0.00 H new ATOM 0 HB2 ALA A 24 61.329 11.225 9.250 1.00 0.00 H new ATOM 0 HB3 ALA A 24 62.259 9.825 9.835 1.00 0.00 H new ATOM 363 N ALA A 25 64.545 8.814 8.048 1.00 0.00 N ATOM 364 CA ALA A 25 65.886 8.178 8.195 1.00 0.00 C ATOM 365 C ALA A 25 66.601 8.112 6.841 1.00 0.00 C ATOM 366 O ALA A 25 67.805 8.243 6.759 1.00 0.00 O ATOM 367 CB ALA A 25 65.600 6.769 8.718 1.00 0.00 C ATOM 0 H ALA A 25 63.778 8.171 7.848 1.00 0.00 H new ATOM 0 HA ALA A 25 66.535 8.741 8.866 1.00 0.00 H new ATOM 0 HB1 ALA A 25 66.540 6.233 8.853 1.00 0.00 H new ATOM 0 HB2 ALA A 25 65.079 6.834 9.673 1.00 0.00 H new ATOM 0 HB3 ALA A 25 64.977 6.234 8.001 1.00 0.00 H new ATOM 373 N PHE A 26 65.869 7.908 5.781 1.00 0.00 N ATOM 374 CA PHE A 26 66.511 7.829 4.436 1.00 0.00 C ATOM 375 C PHE A 26 67.048 9.202 4.015 1.00 0.00 C ATOM 376 O PHE A 26 68.183 9.334 3.605 1.00 0.00 O ATOM 377 CB PHE A 26 65.398 7.378 3.490 1.00 0.00 C ATOM 378 CG PHE A 26 65.929 7.327 2.078 1.00 0.00 C ATOM 379 CD1 PHE A 26 65.894 8.472 1.275 1.00 0.00 C ATOM 380 CD2 PHE A 26 66.458 6.133 1.572 1.00 0.00 C ATOM 381 CE1 PHE A 26 66.387 8.424 -0.034 1.00 0.00 C ATOM 382 CE2 PHE A 26 66.951 6.085 0.263 1.00 0.00 C ATOM 383 CZ PHE A 26 66.915 7.231 -0.540 1.00 0.00 C ATOM 0 H PHE A 26 64.856 7.793 5.786 1.00 0.00 H new ATOM 0 HA PHE A 26 67.359 7.144 4.428 1.00 0.00 H new ATOM 0 HB2 PHE A 26 65.029 6.396 3.787 1.00 0.00 H new ATOM 0 HB3 PHE A 26 64.555 8.066 3.548 1.00 0.00 H new ATOM 0 HD1 PHE A 26 65.487 9.393 1.665 1.00 0.00 H new ATOM 0 HD2 PHE A 26 66.486 5.249 2.192 1.00 0.00 H new ATOM 0 HE1 PHE A 26 66.360 9.308 -0.654 1.00 0.00 H new ATOM 0 HE2 PHE A 26 67.359 5.164 -0.127 1.00 0.00 H new ATOM 0 HZ PHE A 26 67.295 7.194 -1.550 1.00 0.00 H new ATOM 393 N ASP A 27 66.238 10.221 4.108 1.00 0.00 N ATOM 394 CA ASP A 27 66.703 11.582 3.707 1.00 0.00 C ATOM 395 C ASP A 27 67.888 12.019 4.572 1.00 0.00 C ATOM 396 O ASP A 27 68.557 12.990 4.279 1.00 0.00 O ATOM 397 CB ASP A 27 65.501 12.496 3.944 1.00 0.00 C ATOM 398 CG ASP A 27 65.028 12.353 5.392 1.00 0.00 C ATOM 399 OD1 ASP A 27 65.872 12.362 6.273 1.00 0.00 O ATOM 400 OD2 ASP A 27 63.831 12.236 5.595 1.00 0.00 O ATOM 0 H ASP A 27 65.276 10.172 4.443 1.00 0.00 H new ATOM 0 HA ASP A 27 67.042 11.611 2.671 1.00 0.00 H new ATOM 0 HB2 ASP A 27 65.772 13.532 3.740 1.00 0.00 H new ATOM 0 HB3 ASP A 27 64.693 12.237 3.259 1.00 0.00 H new ATOM 405 N MET A 28 68.153 11.312 5.635 1.00 0.00 N ATOM 406 CA MET A 28 69.293 11.692 6.517 1.00 0.00 C ATOM 407 C MET A 28 70.591 11.777 5.706 1.00 0.00 C ATOM 408 O MET A 28 71.564 12.362 6.138 1.00 0.00 O ATOM 409 CB MET A 28 69.381 10.574 7.555 1.00 0.00 C ATOM 410 CG MET A 28 68.179 10.658 8.496 1.00 0.00 C ATOM 411 SD MET A 28 68.595 9.884 10.078 1.00 0.00 S ATOM 412 CE MET A 28 67.136 10.442 10.992 1.00 0.00 C ATOM 0 H MET A 28 67.630 10.488 5.932 1.00 0.00 H new ATOM 0 HA MET A 28 69.147 12.668 6.980 1.00 0.00 H new ATOM 0 HB2 MET A 28 69.401 9.603 7.059 1.00 0.00 H new ATOM 0 HB3 MET A 28 70.308 10.662 8.122 1.00 0.00 H new ATOM 0 HG2 MET A 28 67.898 11.700 8.652 1.00 0.00 H new ATOM 0 HG3 MET A 28 67.319 10.159 8.050 1.00 0.00 H new ATOM 0 HE1 MET A 28 67.403 10.612 12.035 1.00 0.00 H new ATOM 0 HE2 MET A 28 66.766 11.370 10.556 1.00 0.00 H new ATOM 0 HE3 MET A 28 66.359 9.680 10.937 1.00 0.00 H new ATOM 422 N PHE A 29 70.614 11.199 4.536 1.00 0.00 N ATOM 423 CA PHE A 29 71.856 11.253 3.706 1.00 0.00 C ATOM 424 C PHE A 29 71.509 11.646 2.268 1.00 0.00 C ATOM 425 O PHE A 29 71.996 11.062 1.320 1.00 0.00 O ATOM 426 CB PHE A 29 72.457 9.837 3.732 1.00 0.00 C ATOM 427 CG PHE A 29 72.048 9.099 4.988 1.00 0.00 C ATOM 428 CD1 PHE A 29 70.838 8.396 5.022 1.00 0.00 C ATOM 429 CD2 PHE A 29 72.880 9.117 6.114 1.00 0.00 C ATOM 430 CE1 PHE A 29 70.460 7.709 6.182 1.00 0.00 C ATOM 431 CE2 PHE A 29 72.502 8.429 7.273 1.00 0.00 C ATOM 432 CZ PHE A 29 71.292 7.725 7.307 1.00 0.00 C ATOM 0 H PHE A 29 69.832 10.694 4.119 1.00 0.00 H new ATOM 0 HA PHE A 29 72.559 11.991 4.093 1.00 0.00 H new ATOM 0 HB2 PHE A 29 72.126 9.281 2.855 1.00 0.00 H new ATOM 0 HB3 PHE A 29 73.544 9.898 3.679 1.00 0.00 H new ATOM 0 HD1 PHE A 29 70.196 8.384 4.154 1.00 0.00 H new ATOM 0 HD2 PHE A 29 73.813 9.661 6.088 1.00 0.00 H new ATOM 0 HE1 PHE A 29 69.526 7.167 6.208 1.00 0.00 H new ATOM 0 HE2 PHE A 29 73.144 8.441 8.141 1.00 0.00 H new ATOM 0 HZ PHE A 29 71.001 7.194 8.201 1.00 0.00 H new ATOM 442 N ASP A 30 70.670 12.631 2.095 1.00 0.00 N ATOM 443 CA ASP A 30 70.295 13.054 0.715 1.00 0.00 C ATOM 444 C ASP A 30 71.514 13.623 -0.015 1.00 0.00 C ATOM 445 O ASP A 30 71.774 14.810 0.024 1.00 0.00 O ATOM 446 CB ASP A 30 69.231 14.135 0.908 1.00 0.00 C ATOM 447 CG ASP A 30 69.828 15.307 1.687 1.00 0.00 C ATOM 448 OD1 ASP A 30 70.896 15.137 2.250 1.00 0.00 O ATOM 449 OD2 ASP A 30 69.205 16.357 1.707 1.00 0.00 O ATOM 0 H ASP A 30 70.229 13.160 2.847 1.00 0.00 H new ATOM 0 HA ASP A 30 69.927 12.222 0.114 1.00 0.00 H new ATOM 0 HB2 ASP A 30 68.865 14.477 -0.060 1.00 0.00 H new ATOM 0 HB3 ASP A 30 68.375 13.726 1.445 1.00 0.00 H new ATOM 490 N GLY A 35 65.159 12.351 -3.047 1.00 0.00 N ATOM 491 CA GLY A 35 64.860 11.484 -4.222 1.00 0.00 C ATOM 492 C GLY A 35 65.794 10.273 -4.216 1.00 0.00 C ATOM 493 O GLY A 35 65.381 9.157 -4.456 1.00 0.00 O ATOM 0 HA2 GLY A 35 63.821 11.155 -4.189 1.00 0.00 H new ATOM 0 HA3 GLY A 35 64.986 12.049 -5.145 1.00 0.00 H new ATOM 497 N ASP A 36 67.053 10.486 -3.943 1.00 0.00 N ATOM 498 CA ASP A 36 68.013 9.345 -3.921 1.00 0.00 C ATOM 499 C ASP A 36 69.374 9.808 -3.397 1.00 0.00 C ATOM 500 O ASP A 36 69.713 10.974 -3.463 1.00 0.00 O ATOM 501 CB ASP A 36 68.128 8.893 -5.377 1.00 0.00 C ATOM 502 CG ASP A 36 68.504 10.088 -6.254 1.00 0.00 C ATOM 503 OD1 ASP A 36 69.433 10.792 -5.895 1.00 0.00 O ATOM 504 OD2 ASP A 36 67.855 10.279 -7.270 1.00 0.00 O ATOM 0 H ASP A 36 67.458 11.399 -3.735 1.00 0.00 H new ATOM 0 HA ASP A 36 67.678 8.539 -3.269 1.00 0.00 H new ATOM 0 HB2 ASP A 36 68.881 8.111 -5.468 1.00 0.00 H new ATOM 0 HB3 ASP A 36 67.183 8.466 -5.712 1.00 0.00 H new ATOM 509 N ILE A 37 70.156 8.904 -2.877 1.00 0.00 N ATOM 510 CA ILE A 37 71.497 9.288 -2.350 1.00 0.00 C ATOM 511 C ILE A 37 72.586 8.464 -3.040 1.00 0.00 C ATOM 512 O ILE A 37 72.312 7.460 -3.666 1.00 0.00 O ATOM 513 CB ILE A 37 71.441 8.967 -0.858 1.00 0.00 C ATOM 514 CG1 ILE A 37 71.449 7.448 -0.665 1.00 0.00 C ATOM 515 CG2 ILE A 37 70.160 9.551 -0.258 1.00 0.00 C ATOM 516 CD1 ILE A 37 71.070 7.113 0.780 1.00 0.00 C ATOM 0 H ILE A 37 69.925 7.914 -2.794 1.00 0.00 H new ATOM 0 HA ILE A 37 71.731 10.337 -2.530 1.00 0.00 H new ATOM 0 HB ILE A 37 72.306 9.403 -0.359 1.00 0.00 H new ATOM 0 HG12 ILE A 37 70.746 6.980 -1.354 1.00 0.00 H new ATOM 0 HG13 ILE A 37 72.436 7.047 -0.895 1.00 0.00 H new ATOM 0 HG21 ILE A 37 70.120 9.322 0.807 1.00 0.00 H new ATOM 0 HG22 ILE A 37 70.153 10.632 -0.397 1.00 0.00 H new ATOM 0 HG23 ILE A 37 69.294 9.115 -0.756 1.00 0.00 H new ATOM 0 HD11 ILE A 37 71.076 6.032 0.916 1.00 0.00 H new ATOM 0 HD12 ILE A 37 71.790 7.568 1.460 1.00 0.00 H new ATOM 0 HD13 ILE A 37 70.074 7.500 0.994 1.00 0.00 H new ATOM 528 N SER A 38 73.818 8.878 -2.932 1.00 0.00 N ATOM 529 CA SER A 38 74.917 8.113 -3.586 1.00 0.00 C ATOM 530 C SER A 38 74.892 6.655 -3.125 1.00 0.00 C ATOM 531 O SER A 38 74.849 6.368 -1.945 1.00 0.00 O ATOM 532 CB SER A 38 76.203 8.797 -3.129 1.00 0.00 C ATOM 533 OG SER A 38 77.295 8.311 -3.898 1.00 0.00 O ATOM 0 H SER A 38 74.111 9.711 -2.421 1.00 0.00 H new ATOM 0 HA SER A 38 74.824 8.105 -4.672 1.00 0.00 H new ATOM 0 HB2 SER A 38 76.114 9.877 -3.245 1.00 0.00 H new ATOM 0 HB3 SER A 38 76.375 8.603 -2.070 1.00 0.00 H new ATOM 0 HG SER A 38 78.121 8.750 -3.607 1.00 0.00 H new ATOM 539 N THR A 39 74.918 5.731 -4.045 1.00 0.00 N ATOM 540 CA THR A 39 74.894 4.293 -3.657 1.00 0.00 C ATOM 541 C THR A 39 75.872 4.041 -2.508 1.00 0.00 C ATOM 542 O THR A 39 75.670 3.168 -1.688 1.00 0.00 O ATOM 543 CB THR A 39 75.329 3.537 -4.913 1.00 0.00 C ATOM 544 OG1 THR A 39 76.643 3.939 -5.274 1.00 0.00 O ATOM 545 CG2 THR A 39 74.362 3.850 -6.056 1.00 0.00 C ATOM 0 H THR A 39 74.955 5.910 -5.049 1.00 0.00 H new ATOM 0 HA THR A 39 73.911 3.973 -3.311 1.00 0.00 H new ATOM 0 HB THR A 39 75.320 2.465 -4.716 1.00 0.00 H new ATOM 0 HG1 THR A 39 77.110 3.189 -5.698 1.00 0.00 H new ATOM 0 HG21 THR A 39 74.671 3.312 -6.952 1.00 0.00 H new ATOM 0 HG22 THR A 39 73.355 3.540 -5.776 1.00 0.00 H new ATOM 0 HG23 THR A 39 74.370 4.921 -6.256 1.00 0.00 H new ATOM 553 N LYS A 40 76.929 4.805 -2.436 1.00 0.00 N ATOM 554 CA LYS A 40 77.911 4.610 -1.332 1.00 0.00 C ATOM 555 C LYS A 40 77.248 4.928 0.009 1.00 0.00 C ATOM 556 O LYS A 40 77.737 4.565 1.060 1.00 0.00 O ATOM 557 CB LYS A 40 79.040 5.600 -1.622 1.00 0.00 C ATOM 558 CG LYS A 40 80.149 4.897 -2.407 1.00 0.00 C ATOM 559 CD LYS A 40 81.498 5.522 -2.052 1.00 0.00 C ATOM 560 CE LYS A 40 82.310 4.537 -1.206 1.00 0.00 C ATOM 561 NZ LYS A 40 82.969 3.636 -2.192 1.00 0.00 N ATOM 0 H LYS A 40 77.154 5.553 -3.092 1.00 0.00 H new ATOM 0 HA LYS A 40 78.279 3.585 -1.276 1.00 0.00 H new ATOM 0 HB2 LYS A 40 78.658 6.447 -2.192 1.00 0.00 H new ATOM 0 HB3 LYS A 40 79.437 5.998 -0.688 1.00 0.00 H new ATOM 0 HG2 LYS A 40 80.156 3.832 -2.173 1.00 0.00 H new ATOM 0 HG3 LYS A 40 79.965 4.987 -3.478 1.00 0.00 H new ATOM 0 HD2 LYS A 40 82.045 5.774 -2.961 1.00 0.00 H new ATOM 0 HD3 LYS A 40 81.347 6.451 -1.503 1.00 0.00 H new ATOM 0 HE2 LYS A 40 83.046 5.057 -0.593 1.00 0.00 H new ATOM 0 HE3 LYS A 40 81.667 3.977 -0.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 83.545 2.932 -1.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 82.244 3.150 -2.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 83.579 4.196 -2.821 1.00 0.00 H new ATOM 575 N GLU A 41 76.133 5.604 -0.026 1.00 0.00 N ATOM 576 CA GLU A 41 75.424 5.950 1.238 1.00 0.00 C ATOM 577 C GLU A 41 74.186 5.063 1.398 1.00 0.00 C ATOM 578 O GLU A 41 73.343 5.299 2.240 1.00 0.00 O ATOM 579 CB GLU A 41 75.019 7.415 1.065 1.00 0.00 C ATOM 580 CG GLU A 41 74.485 7.963 2.390 1.00 0.00 C ATOM 581 CD GLU A 41 75.650 8.194 3.355 1.00 0.00 C ATOM 582 OE1 GLU A 41 76.782 8.006 2.941 1.00 0.00 O ATOM 583 OE2 GLU A 41 75.390 8.555 4.490 1.00 0.00 O ATOM 0 H GLU A 41 75.681 5.933 -0.879 1.00 0.00 H new ATOM 0 HA GLU A 41 76.041 5.799 2.124 1.00 0.00 H new ATOM 0 HB2 GLU A 41 75.876 8.003 0.736 1.00 0.00 H new ATOM 0 HB3 GLU A 41 74.257 7.503 0.291 1.00 0.00 H new ATOM 0 HG2 GLU A 41 73.950 8.897 2.220 1.00 0.00 H new ATOM 0 HG3 GLU A 41 73.773 7.262 2.825 1.00 0.00 H new ATOM 590 N LEU A 42 74.071 4.045 0.590 1.00 0.00 N ATOM 591 CA LEU A 42 72.888 3.142 0.685 1.00 0.00 C ATOM 592 C LEU A 42 72.981 2.271 1.942 1.00 0.00 C ATOM 593 O LEU A 42 72.041 2.160 2.703 1.00 0.00 O ATOM 594 CB LEU A 42 72.954 2.277 -0.574 1.00 0.00 C ATOM 595 CG LEU A 42 71.938 1.141 -0.469 1.00 0.00 C ATOM 596 CD1 LEU A 42 71.183 1.005 -1.793 1.00 0.00 C ATOM 597 CD2 LEU A 42 72.669 -0.169 -0.163 1.00 0.00 C ATOM 0 H LEU A 42 74.746 3.799 -0.134 1.00 0.00 H new ATOM 0 HA LEU A 42 71.951 3.694 0.755 1.00 0.00 H new ATOM 0 HB2 LEU A 42 72.747 2.884 -1.456 1.00 0.00 H new ATOM 0 HB3 LEU A 42 73.958 1.870 -0.696 1.00 0.00 H new ATOM 0 HG LEU A 42 71.231 1.360 0.331 1.00 0.00 H new ATOM 0 HD11 LEU A 42 70.458 0.194 -1.717 1.00 0.00 H new ATOM 0 HD12 LEU A 42 70.663 1.937 -2.013 1.00 0.00 H new ATOM 0 HD13 LEU A 42 71.889 0.786 -2.594 1.00 0.00 H new ATOM 0 HD21 LEU A 42 71.945 -0.981 -0.088 1.00 0.00 H new ATOM 0 HD22 LEU A 42 73.376 -0.387 -0.963 1.00 0.00 H new ATOM 0 HD23 LEU A 42 73.207 -0.074 0.780 1.00 0.00 H new ATOM 609 N GLY A 43 74.107 1.651 2.164 1.00 0.00 N ATOM 610 CA GLY A 43 74.258 0.786 3.369 1.00 0.00 C ATOM 611 C GLY A 43 73.976 1.604 4.632 1.00 0.00 C ATOM 612 O GLY A 43 73.393 1.117 5.580 1.00 0.00 O ATOM 0 H GLY A 43 74.930 1.706 1.563 1.00 0.00 H new ATOM 0 HA2 GLY A 43 73.571 -0.058 3.310 1.00 0.00 H new ATOM 0 HA3 GLY A 43 75.267 0.374 3.409 1.00 0.00 H new ATOM 616 N THR A 44 74.389 2.842 4.653 1.00 0.00 N ATOM 617 CA THR A 44 74.148 3.688 5.858 1.00 0.00 C ATOM 618 C THR A 44 72.648 3.758 6.171 1.00 0.00 C ATOM 619 O THR A 44 72.213 3.415 7.251 1.00 0.00 O ATOM 620 CB THR A 44 74.686 5.071 5.480 1.00 0.00 C ATOM 621 OG1 THR A 44 76.101 5.077 5.610 1.00 0.00 O ATOM 622 CG2 THR A 44 74.085 6.133 6.405 1.00 0.00 C ATOM 0 H THR A 44 74.882 3.304 3.889 1.00 0.00 H new ATOM 0 HA THR A 44 74.635 3.289 6.748 1.00 0.00 H new ATOM 0 HB THR A 44 74.410 5.296 4.450 1.00 0.00 H new ATOM 0 HG1 THR A 44 76.448 5.961 5.367 1.00 0.00 H new ATOM 0 HG21 THR A 44 74.471 7.115 6.131 1.00 0.00 H new ATOM 0 HG22 THR A 44 73.000 6.130 6.306 1.00 0.00 H new ATOM 0 HG23 THR A 44 74.356 5.912 7.437 1.00 0.00 H new ATOM 630 N VAL A 45 71.859 4.208 5.235 1.00 0.00 N ATOM 631 CA VAL A 45 70.391 4.311 5.478 1.00 0.00 C ATOM 632 C VAL A 45 69.863 3.041 6.156 1.00 0.00 C ATOM 633 O VAL A 45 69.326 3.087 7.245 1.00 0.00 O ATOM 634 CB VAL A 45 69.775 4.474 4.090 1.00 0.00 C ATOM 635 CG1 VAL A 45 68.261 4.271 4.172 1.00 0.00 C ATOM 636 CG2 VAL A 45 70.070 5.882 3.566 1.00 0.00 C ATOM 0 H VAL A 45 72.167 4.510 4.311 1.00 0.00 H new ATOM 0 HA VAL A 45 70.143 5.141 6.139 1.00 0.00 H new ATOM 0 HB VAL A 45 70.204 3.733 3.415 1.00 0.00 H new ATOM 0 HG11 VAL A 45 67.824 4.388 3.180 1.00 0.00 H new ATOM 0 HG12 VAL A 45 68.048 3.270 4.547 1.00 0.00 H new ATOM 0 HG13 VAL A 45 67.831 5.010 4.847 1.00 0.00 H new ATOM 0 HG21 VAL A 45 69.631 6.001 2.575 1.00 0.00 H new ATOM 0 HG22 VAL A 45 69.641 6.620 4.244 1.00 0.00 H new ATOM 0 HG23 VAL A 45 71.148 6.029 3.505 1.00 0.00 H new ATOM 646 N MET A 46 70.001 1.912 5.519 1.00 0.00 N ATOM 647 CA MET A 46 69.496 0.646 6.125 1.00 0.00 C ATOM 648 C MET A 46 70.162 0.392 7.483 1.00 0.00 C ATOM 649 O MET A 46 69.533 -0.070 8.414 1.00 0.00 O ATOM 650 CB MET A 46 69.873 -0.449 5.129 1.00 0.00 C ATOM 651 CG MET A 46 71.384 -0.432 4.894 1.00 0.00 C ATOM 652 SD MET A 46 71.839 -1.803 3.802 1.00 0.00 S ATOM 653 CE MET A 46 70.493 -1.600 2.611 1.00 0.00 C ATOM 0 H MET A 46 70.442 1.810 4.605 1.00 0.00 H new ATOM 0 HA MET A 46 68.422 0.682 6.307 1.00 0.00 H new ATOM 0 HB2 MET A 46 69.565 -1.423 5.510 1.00 0.00 H new ATOM 0 HB3 MET A 46 69.347 -0.295 4.187 1.00 0.00 H new ATOM 0 HG2 MET A 46 71.683 0.517 4.449 1.00 0.00 H new ATOM 0 HG3 MET A 46 71.912 -0.519 5.844 1.00 0.00 H new ATOM 0 HE1 MET A 46 70.750 -2.107 1.681 1.00 0.00 H new ATOM 0 HE2 MET A 46 69.579 -2.031 3.018 1.00 0.00 H new ATOM 0 HE3 MET A 46 70.338 -0.539 2.415 1.00 0.00 H new ATOM 663 N ARG A 47 71.428 0.686 7.604 1.00 0.00 N ATOM 664 CA ARG A 47 72.123 0.451 8.905 1.00 0.00 C ATOM 665 C ARG A 47 71.720 1.520 9.927 1.00 0.00 C ATOM 666 O ARG A 47 71.513 1.232 11.088 1.00 0.00 O ATOM 667 CB ARG A 47 73.614 0.550 8.582 1.00 0.00 C ATOM 668 CG ARG A 47 74.376 -0.516 9.372 1.00 0.00 C ATOM 669 CD ARG A 47 75.869 -0.427 9.045 1.00 0.00 C ATOM 670 NE ARG A 47 76.534 -1.318 10.035 1.00 0.00 N ATOM 671 CZ ARG A 47 76.905 -0.844 11.193 1.00 0.00 C ATOM 672 NH1 ARG A 47 76.058 -0.806 12.184 1.00 0.00 N ATOM 673 NH2 ARG A 47 78.125 -0.410 11.360 1.00 0.00 N ATOM 0 H ARG A 47 72.010 1.077 6.863 1.00 0.00 H new ATOM 0 HA ARG A 47 71.864 -0.514 9.341 1.00 0.00 H new ATOM 0 HB2 ARG A 47 73.776 0.412 7.513 1.00 0.00 H new ATOM 0 HB3 ARG A 47 73.987 1.542 8.835 1.00 0.00 H new ATOM 0 HG2 ARG A 47 74.218 -0.373 10.441 1.00 0.00 H new ATOM 0 HG3 ARG A 47 73.997 -1.507 9.124 1.00 0.00 H new ATOM 0 HD2 ARG A 47 76.070 -0.752 8.024 1.00 0.00 H new ATOM 0 HD3 ARG A 47 76.231 0.597 9.130 1.00 0.00 H new ATOM 0 HE ARG A 47 76.700 -2.299 9.808 1.00 0.00 H new ATOM 0 HH11 ARG A 47 75.105 -1.147 12.054 1.00 0.00 H new ATOM 0 HH12 ARG A 47 76.348 -0.436 13.089 1.00 0.00 H new ATOM 0 HH21 ARG A 47 78.788 -0.441 10.585 1.00 0.00 H new ATOM 0 HH22 ARG A 47 78.415 -0.039 12.265 1.00 0.00 H new ATOM 687 N MET A 48 71.609 2.750 9.505 1.00 0.00 N ATOM 688 CA MET A 48 71.220 3.831 10.457 1.00 0.00 C ATOM 689 C MET A 48 69.748 3.688 10.849 1.00 0.00 C ATOM 690 O MET A 48 69.243 4.416 11.681 1.00 0.00 O ATOM 691 CB MET A 48 71.448 5.135 9.691 1.00 0.00 C ATOM 692 CG MET A 48 70.971 6.315 10.539 1.00 0.00 C ATOM 693 SD MET A 48 71.730 6.226 12.180 1.00 0.00 S ATOM 694 CE MET A 48 71.740 8.003 12.522 1.00 0.00 C ATOM 0 H MET A 48 71.770 3.053 8.545 1.00 0.00 H new ATOM 0 HA MET A 48 71.798 3.795 11.381 1.00 0.00 H new ATOM 0 HB2 MET A 48 72.505 5.249 9.452 1.00 0.00 H new ATOM 0 HB3 MET A 48 70.908 5.112 8.744 1.00 0.00 H new ATOM 0 HG2 MET A 48 71.236 7.255 10.055 1.00 0.00 H new ATOM 0 HG3 MET A 48 69.885 6.297 10.628 1.00 0.00 H new ATOM 0 HE1 MET A 48 72.176 8.182 13.505 1.00 0.00 H new ATOM 0 HE2 MET A 48 72.332 8.516 11.764 1.00 0.00 H new ATOM 0 HE3 MET A 48 70.719 8.383 12.503 1.00 0.00 H new ATOM 704 N LEU A 49 69.054 2.754 10.259 1.00 0.00 N ATOM 705 CA LEU A 49 67.616 2.565 10.601 1.00 0.00 C ATOM 706 C LEU A 49 67.471 1.544 11.733 1.00 0.00 C ATOM 707 O LEU A 49 66.717 1.740 12.664 1.00 0.00 O ATOM 708 CB LEU A 49 66.968 2.042 9.319 1.00 0.00 C ATOM 709 CG LEU A 49 66.338 3.208 8.554 1.00 0.00 C ATOM 710 CD1 LEU A 49 66.162 2.820 7.085 1.00 0.00 C ATOM 711 CD2 LEU A 49 64.972 3.535 9.161 1.00 0.00 C ATOM 0 H LEU A 49 69.421 2.114 9.555 1.00 0.00 H new ATOM 0 HA LEU A 49 67.149 3.488 10.945 1.00 0.00 H new ATOM 0 HB2 LEU A 49 67.714 1.546 8.698 1.00 0.00 H new ATOM 0 HB3 LEU A 49 66.208 1.298 9.560 1.00 0.00 H new ATOM 0 HG LEU A 49 66.987 4.081 8.623 1.00 0.00 H new ATOM 0 HD11 LEU A 49 65.713 3.651 6.540 1.00 0.00 H new ATOM 0 HD12 LEU A 49 67.134 2.585 6.652 1.00 0.00 H new ATOM 0 HD13 LEU A 49 65.513 1.947 7.014 1.00 0.00 H new ATOM 0 HD21 LEU A 49 64.522 4.365 8.617 1.00 0.00 H new ATOM 0 HD22 LEU A 49 64.324 2.661 9.091 1.00 0.00 H new ATOM 0 HD23 LEU A 49 65.096 3.811 10.208 1.00 0.00 H new ATOM 723 N GLY A 50 68.191 0.458 11.660 1.00 0.00 N ATOM 724 CA GLY A 50 68.094 -0.571 12.735 1.00 0.00 C ATOM 725 C GLY A 50 68.264 -1.966 12.129 1.00 0.00 C ATOM 726 O GLY A 50 67.567 -2.896 12.484 1.00 0.00 O ATOM 0 H GLY A 50 68.841 0.239 10.905 1.00 0.00 H new ATOM 0 HA2 GLY A 50 68.860 -0.396 13.490 1.00 0.00 H new ATOM 0 HA3 GLY A 50 67.129 -0.497 13.237 1.00 0.00 H new ATOM 730 N GLN A 51 69.186 -2.121 11.218 1.00 0.00 N ATOM 731 CA GLN A 51 69.398 -3.459 10.593 1.00 0.00 C ATOM 732 C GLN A 51 70.877 -3.848 10.665 1.00 0.00 C ATOM 733 O GLN A 51 71.636 -3.306 11.444 1.00 0.00 O ATOM 734 CB GLN A 51 68.961 -3.291 9.137 1.00 0.00 C ATOM 735 CG GLN A 51 67.449 -3.067 9.081 1.00 0.00 C ATOM 736 CD GLN A 51 67.140 -1.922 8.114 1.00 0.00 C ATOM 737 OE1 GLN A 51 67.948 -1.590 7.268 1.00 0.00 O ATOM 738 NE2 GLN A 51 65.996 -1.300 8.203 1.00 0.00 N ATOM 0 H GLN A 51 69.801 -1.381 10.880 1.00 0.00 H new ATOM 0 HA GLN A 51 68.837 -4.244 11.100 1.00 0.00 H new ATOM 0 HB2 GLN A 51 69.481 -2.447 8.685 1.00 0.00 H new ATOM 0 HB3 GLN A 51 69.230 -4.176 8.561 1.00 0.00 H new ATOM 0 HG2 GLN A 51 66.947 -3.978 8.755 1.00 0.00 H new ATOM 0 HG3 GLN A 51 67.068 -2.831 10.075 1.00 0.00 H new ATOM 0 HE21 GLN A 51 65.318 -1.578 8.912 1.00 0.00 H new ATOM 0 HE22 GLN A 51 65.780 -0.536 7.563 1.00 0.00 H new ATOM 747 N ASN A 52 71.292 -4.786 9.858 1.00 0.00 N ATOM 748 CA ASN A 52 72.721 -5.212 9.880 1.00 0.00 C ATOM 749 C ASN A 52 73.091 -5.886 8.557 1.00 0.00 C ATOM 750 O ASN A 52 73.163 -7.097 8.475 1.00 0.00 O ATOM 751 CB ASN A 52 72.821 -6.206 11.037 1.00 0.00 C ATOM 752 CG ASN A 52 72.904 -5.443 12.360 1.00 0.00 C ATOM 753 OD1 ASN A 52 71.894 -5.087 12.935 1.00 0.00 O ATOM 754 ND2 ASN A 52 74.075 -5.173 12.871 1.00 0.00 N ATOM 0 H ASN A 52 70.704 -5.276 9.184 1.00 0.00 H new ATOM 0 HA ASN A 52 73.402 -4.370 10.008 1.00 0.00 H new ATOM 0 HB2 ASN A 52 71.953 -6.866 11.039 1.00 0.00 H new ATOM 0 HB3 ASN A 52 73.701 -6.837 10.913 1.00 0.00 H new ATOM 0 HD21 ASN A 52 74.142 -4.664 13.752 1.00 0.00 H new ATOM 0 HD22 ASN A 52 74.923 -5.471 12.389 1.00 0.00 H new ATOM 761 N PRO A 53 73.315 -5.074 7.560 1.00 0.00 N ATOM 762 CA PRO A 53 73.683 -5.593 6.221 1.00 0.00 C ATOM 763 C PRO A 53 75.122 -6.117 6.230 1.00 0.00 C ATOM 764 O PRO A 53 76.048 -5.408 6.572 1.00 0.00 O ATOM 765 CB PRO A 53 73.556 -4.370 5.316 1.00 0.00 C ATOM 766 CG PRO A 53 73.742 -3.196 6.224 1.00 0.00 C ATOM 767 CD PRO A 53 73.248 -3.609 7.587 1.00 0.00 C ATOM 0 HA PRO A 53 73.058 -6.425 5.896 1.00 0.00 H new ATOM 0 HB2 PRO A 53 74.309 -4.382 4.528 1.00 0.00 H new ATOM 0 HB3 PRO A 53 72.582 -4.340 4.827 1.00 0.00 H new ATOM 0 HG2 PRO A 53 74.791 -2.904 6.266 1.00 0.00 H new ATOM 0 HG3 PRO A 53 73.186 -2.333 5.857 1.00 0.00 H new ATOM 0 HD2 PRO A 53 73.872 -3.196 8.380 1.00 0.00 H new ATOM 0 HD3 PRO A 53 72.231 -3.259 7.766 1.00 0.00 H new ATOM 775 N THR A 54 75.319 -7.351 5.857 1.00 0.00 N ATOM 776 CA THR A 54 76.699 -7.915 5.847 1.00 0.00 C ATOM 777 C THR A 54 77.592 -7.106 4.903 1.00 0.00 C ATOM 778 O THR A 54 77.172 -6.689 3.841 1.00 0.00 O ATOM 779 CB THR A 54 76.541 -9.347 5.336 1.00 0.00 C ATOM 780 OG1 THR A 54 75.534 -9.383 4.335 1.00 0.00 O ATOM 781 CG2 THR A 54 76.147 -10.266 6.494 1.00 0.00 C ATOM 0 H THR A 54 74.585 -7.993 5.559 1.00 0.00 H new ATOM 0 HA THR A 54 77.164 -7.884 6.832 1.00 0.00 H new ATOM 0 HB THR A 54 77.486 -9.687 4.913 1.00 0.00 H new ATOM 0 HG1 THR A 54 74.830 -10.011 4.601 1.00 0.00 H new ATOM 0 HG21 THR A 54 76.035 -11.286 6.127 1.00 0.00 H new ATOM 0 HG22 THR A 54 76.922 -10.239 7.260 1.00 0.00 H new ATOM 0 HG23 THR A 54 75.203 -9.928 6.921 1.00 0.00 H new ATOM 789 N LYS A 55 78.821 -6.880 5.280 1.00 0.00 N ATOM 790 CA LYS A 55 79.736 -6.098 4.399 1.00 0.00 C ATOM 791 C LYS A 55 79.632 -6.600 2.956 1.00 0.00 C ATOM 792 O LYS A 55 79.385 -5.839 2.042 1.00 0.00 O ATOM 793 CB LYS A 55 81.136 -6.350 4.957 1.00 0.00 C ATOM 794 CG LYS A 55 82.042 -5.165 4.614 1.00 0.00 C ATOM 795 CD LYS A 55 83.500 -5.627 4.591 1.00 0.00 C ATOM 796 CE LYS A 55 84.311 -4.712 3.671 1.00 0.00 C ATOM 797 NZ LYS A 55 85.052 -3.804 4.589 1.00 0.00 N ATOM 0 H LYS A 55 79.231 -7.202 6.157 1.00 0.00 H new ATOM 0 HA LYS A 55 79.491 -5.036 4.385 1.00 0.00 H new ATOM 0 HB2 LYS A 55 81.090 -6.485 6.038 1.00 0.00 H new ATOM 0 HB3 LYS A 55 81.546 -7.269 4.538 1.00 0.00 H new ATOM 0 HG2 LYS A 55 81.765 -4.751 3.644 1.00 0.00 H new ATOM 0 HG3 LYS A 55 81.913 -4.370 5.349 1.00 0.00 H new ATOM 0 HD2 LYS A 55 83.915 -5.607 5.599 1.00 0.00 H new ATOM 0 HD3 LYS A 55 83.561 -6.658 4.242 1.00 0.00 H new ATOM 0 HE2 LYS A 55 84.995 -5.286 3.046 1.00 0.00 H new ATOM 0 HE3 LYS A 55 83.661 -4.151 3.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 85.632 -3.145 4.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 84.375 -3.266 5.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 85.667 -4.366 5.211 1.00 0.00 H new ATOM 811 N GLU A 56 79.816 -7.875 2.745 1.00 0.00 N ATOM 812 CA GLU A 56 79.723 -8.418 1.360 1.00 0.00 C ATOM 813 C GLU A 56 78.416 -7.962 0.706 1.00 0.00 C ATOM 814 O GLU A 56 78.416 -7.358 -0.348 1.00 0.00 O ATOM 815 CB GLU A 56 79.740 -9.938 1.525 1.00 0.00 C ATOM 816 CG GLU A 56 81.034 -10.504 0.936 1.00 0.00 C ATOM 817 CD GLU A 56 81.146 -11.990 1.281 1.00 0.00 C ATOM 818 OE1 GLU A 56 80.337 -12.459 2.065 1.00 0.00 O ATOM 819 OE2 GLU A 56 82.039 -12.634 0.756 1.00 0.00 O ATOM 0 H GLU A 56 80.026 -8.562 3.469 1.00 0.00 H new ATOM 0 HA GLU A 56 80.537 -8.072 0.723 1.00 0.00 H new ATOM 0 HB2 GLU A 56 79.664 -10.200 2.580 1.00 0.00 H new ATOM 0 HB3 GLU A 56 78.878 -10.378 1.024 1.00 0.00 H new ATOM 0 HG2 GLU A 56 81.043 -10.369 -0.146 1.00 0.00 H new ATOM 0 HG3 GLU A 56 81.893 -9.962 1.332 1.00 0.00 H new ATOM 826 N GLU A 57 77.302 -8.243 1.326 1.00 0.00 N ATOM 827 CA GLU A 57 75.999 -7.819 0.739 1.00 0.00 C ATOM 828 C GLU A 57 76.062 -6.341 0.347 1.00 0.00 C ATOM 829 O GLU A 57 75.614 -5.950 -0.712 1.00 0.00 O ATOM 830 CB GLU A 57 74.972 -8.038 1.852 1.00 0.00 C ATOM 831 CG GLU A 57 74.598 -9.519 1.919 1.00 0.00 C ATOM 832 CD GLU A 57 73.755 -9.890 0.697 1.00 0.00 C ATOM 833 OE1 GLU A 57 73.008 -9.042 0.238 1.00 0.00 O ATOM 834 OE2 GLU A 57 73.870 -11.016 0.243 1.00 0.00 O ATOM 0 H GLU A 57 77.238 -8.746 2.211 1.00 0.00 H new ATOM 0 HA GLU A 57 75.745 -8.379 -0.161 1.00 0.00 H new ATOM 0 HB2 GLU A 57 75.382 -7.712 2.808 1.00 0.00 H new ATOM 0 HB3 GLU A 57 74.083 -7.436 1.664 1.00 0.00 H new ATOM 0 HG2 GLU A 57 75.499 -10.131 1.951 1.00 0.00 H new ATOM 0 HG3 GLU A 57 74.041 -9.723 2.833 1.00 0.00 H new ATOM 841 N LEU A 58 76.621 -5.518 1.193 1.00 0.00 N ATOM 842 CA LEU A 58 76.719 -4.067 0.868 1.00 0.00 C ATOM 843 C LEU A 58 77.304 -3.884 -0.534 1.00 0.00 C ATOM 844 O LEU A 58 76.625 -3.465 -1.450 1.00 0.00 O ATOM 845 CB LEU A 58 77.665 -3.491 1.920 1.00 0.00 C ATOM 846 CG LEU A 58 76.993 -2.311 2.622 1.00 0.00 C ATOM 847 CD1 LEU A 58 76.689 -1.212 1.603 1.00 0.00 C ATOM 848 CD2 LEU A 58 75.688 -2.783 3.268 1.00 0.00 C ATOM 0 H LEU A 58 77.014 -5.788 2.095 1.00 0.00 H new ATOM 0 HA LEU A 58 75.748 -3.572 0.878 1.00 0.00 H new ATOM 0 HB2 LEU A 58 77.927 -4.259 2.648 1.00 0.00 H new ATOM 0 HB3 LEU A 58 78.594 -3.167 1.450 1.00 0.00 H new ATOM 0 HG LEU A 58 77.660 -1.917 3.389 1.00 0.00 H new ATOM 0 HD11 LEU A 58 76.210 -0.372 2.106 1.00 0.00 H new ATOM 0 HD12 LEU A 58 77.618 -0.877 1.141 1.00 0.00 H new ATOM 0 HD13 LEU A 58 76.022 -1.603 0.834 1.00 0.00 H new ATOM 0 HD21 LEU A 58 75.206 -1.944 3.770 1.00 0.00 H new ATOM 0 HD22 LEU A 58 75.023 -3.177 2.499 1.00 0.00 H new ATOM 0 HD23 LEU A 58 75.904 -3.565 3.996 1.00 0.00 H new ATOM 860 N ASP A 59 78.558 -4.199 -0.706 1.00 0.00 N ATOM 861 CA ASP A 59 79.185 -4.045 -2.049 1.00 0.00 C ATOM 862 C ASP A 59 78.333 -4.748 -3.109 1.00 0.00 C ATOM 863 O ASP A 59 78.360 -4.398 -4.273 1.00 0.00 O ATOM 864 CB ASP A 59 80.553 -4.715 -1.927 1.00 0.00 C ATOM 865 CG ASP A 59 81.630 -3.785 -2.488 1.00 0.00 C ATOM 866 OD1 ASP A 59 82.024 -2.873 -1.780 1.00 0.00 O ATOM 867 OD2 ASP A 59 82.041 -3.999 -3.616 1.00 0.00 O ATOM 0 H ASP A 59 79.175 -4.556 0.024 1.00 0.00 H new ATOM 0 HA ASP A 59 79.271 -3.001 -2.350 1.00 0.00 H new ATOM 0 HB2 ASP A 59 80.765 -4.945 -0.883 1.00 0.00 H new ATOM 0 HB3 ASP A 59 80.556 -5.661 -2.469 1.00 0.00 H new ATOM 872 N ALA A 60 77.578 -5.736 -2.715 1.00 0.00 N ATOM 873 CA ALA A 60 76.722 -6.460 -3.699 1.00 0.00 C ATOM 874 C ALA A 60 75.531 -5.589 -4.105 1.00 0.00 C ATOM 875 O ALA A 60 75.237 -5.427 -5.273 1.00 0.00 O ATOM 876 CB ALA A 60 76.245 -7.713 -2.965 1.00 0.00 C ATOM 0 H ALA A 60 77.516 -6.074 -1.755 1.00 0.00 H new ATOM 0 HA ALA A 60 77.262 -6.705 -4.613 1.00 0.00 H new ATOM 0 HB1 ALA A 60 75.607 -8.301 -3.625 1.00 0.00 H new ATOM 0 HB2 ALA A 60 77.107 -8.310 -2.667 1.00 0.00 H new ATOM 0 HB3 ALA A 60 75.680 -7.423 -2.079 1.00 0.00 H new ATOM 882 N ILE A 61 74.843 -5.025 -3.149 1.00 0.00 N ATOM 883 CA ILE A 61 73.671 -4.166 -3.484 1.00 0.00 C ATOM 884 C ILE A 61 74.146 -2.854 -4.116 1.00 0.00 C ATOM 885 O ILE A 61 73.581 -2.378 -5.080 1.00 0.00 O ATOM 886 CB ILE A 61 72.978 -3.898 -2.149 1.00 0.00 C ATOM 887 CG1 ILE A 61 72.372 -5.202 -1.622 1.00 0.00 C ATOM 888 CG2 ILE A 61 71.867 -2.866 -2.349 1.00 0.00 C ATOM 889 CD1 ILE A 61 72.391 -5.193 -0.093 1.00 0.00 C ATOM 0 H ILE A 61 75.041 -5.122 -2.153 1.00 0.00 H new ATOM 0 HA ILE A 61 73.001 -4.642 -4.200 1.00 0.00 H new ATOM 0 HB ILE A 61 73.704 -3.516 -1.432 1.00 0.00 H new ATOM 0 HG12 ILE A 61 71.349 -5.312 -1.983 1.00 0.00 H new ATOM 0 HG13 ILE A 61 72.936 -6.055 -1.998 1.00 0.00 H new ATOM 0 HG21 ILE A 61 71.372 -2.675 -1.397 1.00 0.00 H new ATOM 0 HG22 ILE A 61 72.296 -1.938 -2.728 1.00 0.00 H new ATOM 0 HG23 ILE A 61 71.140 -3.249 -3.065 1.00 0.00 H new ATOM 0 HD11 ILE A 61 71.960 -6.121 0.282 1.00 0.00 H new ATOM 0 HD12 ILE A 61 73.419 -5.103 0.258 1.00 0.00 H new ATOM 0 HD13 ILE A 61 71.808 -4.348 0.273 1.00 0.00 H new ATOM 901 N ILE A 62 75.182 -2.268 -3.581 1.00 0.00 N ATOM 902 CA ILE A 62 75.692 -0.988 -4.153 1.00 0.00 C ATOM 903 C ILE A 62 75.921 -1.142 -5.659 1.00 0.00 C ATOM 904 O ILE A 62 75.258 -0.519 -6.463 1.00 0.00 O ATOM 905 CB ILE A 62 77.014 -0.729 -3.432 1.00 0.00 C ATOM 906 CG1 ILE A 62 76.730 -0.218 -2.018 1.00 0.00 C ATOM 907 CG2 ILE A 62 77.818 0.322 -4.200 1.00 0.00 C ATOM 908 CD1 ILE A 62 78.040 0.219 -1.361 1.00 0.00 C ATOM 0 H ILE A 62 75.697 -2.619 -2.774 1.00 0.00 H new ATOM 0 HA ILE A 62 74.990 -0.165 -4.019 1.00 0.00 H new ATOM 0 HB ILE A 62 77.586 -1.655 -3.378 1.00 0.00 H new ATOM 0 HG12 ILE A 62 76.033 0.619 -2.056 1.00 0.00 H new ATOM 0 HG13 ILE A 62 76.257 -1.001 -1.425 1.00 0.00 H new ATOM 0 HG21 ILE A 62 78.761 0.506 -3.685 1.00 0.00 H new ATOM 0 HG22 ILE A 62 78.020 -0.039 -5.208 1.00 0.00 H new ATOM 0 HG23 ILE A 62 77.247 1.249 -4.254 1.00 0.00 H new ATOM 0 HD11 ILE A 62 77.838 0.583 -0.354 1.00 0.00 H new ATOM 0 HD12 ILE A 62 78.722 -0.630 -1.310 1.00 0.00 H new ATOM 0 HD13 ILE A 62 78.495 1.015 -1.950 1.00 0.00 H new ATOM 920 N GLU A 63 76.855 -1.968 -6.046 1.00 0.00 N ATOM 921 CA GLU A 63 77.123 -2.160 -7.500 1.00 0.00 C ATOM 922 C GLU A 63 75.802 -2.263 -8.268 1.00 0.00 C ATOM 923 O GLU A 63 75.661 -1.733 -9.352 1.00 0.00 O ATOM 924 CB GLU A 63 77.902 -3.473 -7.592 1.00 0.00 C ATOM 925 CG GLU A 63 79.201 -3.240 -8.366 1.00 0.00 C ATOM 926 CD GLU A 63 79.736 -4.578 -8.882 1.00 0.00 C ATOM 927 OE1 GLU A 63 78.934 -5.380 -9.331 1.00 0.00 O ATOM 928 OE2 GLU A 63 80.937 -4.777 -8.818 1.00 0.00 O ATOM 0 H GLU A 63 77.443 -2.517 -5.419 1.00 0.00 H new ATOM 0 HA GLU A 63 77.679 -1.328 -7.932 1.00 0.00 H new ATOM 0 HB2 GLU A 63 78.123 -3.848 -6.593 1.00 0.00 H new ATOM 0 HB3 GLU A 63 77.299 -4.232 -8.091 1.00 0.00 H new ATOM 0 HG2 GLU A 63 79.023 -2.562 -9.200 1.00 0.00 H new ATOM 0 HG3 GLU A 63 79.941 -2.765 -7.721 1.00 0.00 H new ATOM 935 N GLU A 64 74.834 -2.936 -7.710 1.00 0.00 N ATOM 936 CA GLU A 64 73.520 -3.066 -8.403 1.00 0.00 C ATOM 937 C GLU A 64 72.852 -1.692 -8.510 1.00 0.00 C ATOM 938 O GLU A 64 72.491 -1.246 -9.581 1.00 0.00 O ATOM 939 CB GLU A 64 72.698 -4.007 -7.513 1.00 0.00 C ATOM 940 CG GLU A 64 71.202 -3.775 -7.746 1.00 0.00 C ATOM 941 CD GLU A 64 70.444 -5.089 -7.552 1.00 0.00 C ATOM 942 OE1 GLU A 64 70.044 -5.360 -6.431 1.00 0.00 O ATOM 943 OE2 GLU A 64 70.275 -5.803 -8.527 1.00 0.00 O ATOM 0 H GLU A 64 74.895 -3.402 -6.805 1.00 0.00 H new ATOM 0 HA GLU A 64 73.615 -3.452 -9.418 1.00 0.00 H new ATOM 0 HB2 GLU A 64 72.952 -5.044 -7.733 1.00 0.00 H new ATOM 0 HB3 GLU A 64 72.942 -3.835 -6.465 1.00 0.00 H new ATOM 0 HG2 GLU A 64 70.828 -3.022 -7.053 1.00 0.00 H new ATOM 0 HG3 GLU A 64 71.035 -3.392 -8.753 1.00 0.00 H new ATOM 950 N VAL A 65 72.682 -1.022 -7.404 1.00 0.00 N ATOM 951 CA VAL A 65 72.034 0.319 -7.436 1.00 0.00 C ATOM 952 C VAL A 65 73.009 1.365 -7.985 1.00 0.00 C ATOM 953 O VAL A 65 72.625 2.463 -8.333 1.00 0.00 O ATOM 954 CB VAL A 65 71.683 0.623 -5.978 1.00 0.00 C ATOM 955 CG1 VAL A 65 70.911 -0.555 -5.380 1.00 0.00 C ATOM 956 CG2 VAL A 65 72.969 0.847 -5.179 1.00 0.00 C ATOM 0 H VAL A 65 72.964 -1.346 -6.479 1.00 0.00 H new ATOM 0 HA VAL A 65 71.154 0.338 -8.079 1.00 0.00 H new ATOM 0 HB VAL A 65 71.066 1.521 -5.934 1.00 0.00 H new ATOM 0 HG11 VAL A 65 70.662 -0.337 -4.342 1.00 0.00 H new ATOM 0 HG12 VAL A 65 69.994 -0.715 -5.947 1.00 0.00 H new ATOM 0 HG13 VAL A 65 71.526 -1.454 -5.424 1.00 0.00 H new ATOM 0 HG21 VAL A 65 72.719 1.064 -4.140 1.00 0.00 H new ATOM 0 HG22 VAL A 65 73.586 -0.050 -5.224 1.00 0.00 H new ATOM 0 HG23 VAL A 65 73.519 1.687 -5.603 1.00 0.00 H new ATOM 966 N ASP A 66 74.268 1.031 -8.065 1.00 0.00 N ATOM 967 CA ASP A 66 75.266 2.007 -8.592 1.00 0.00 C ATOM 968 C ASP A 66 74.953 2.345 -10.051 1.00 0.00 C ATOM 969 O ASP A 66 73.808 2.455 -10.441 1.00 0.00 O ATOM 970 CB ASP A 66 76.615 1.294 -8.483 1.00 0.00 C ATOM 971 CG ASP A 66 77.709 2.319 -8.181 1.00 0.00 C ATOM 972 OD1 ASP A 66 77.892 2.635 -7.017 1.00 0.00 O ATOM 973 OD2 ASP A 66 78.347 2.770 -9.119 1.00 0.00 O ATOM 0 H ASP A 66 74.649 0.126 -7.789 1.00 0.00 H new ATOM 0 HA ASP A 66 75.257 2.946 -8.039 1.00 0.00 H new ATOM 0 HB2 ASP A 66 76.579 0.542 -7.695 1.00 0.00 H new ATOM 0 HB3 ASP A 66 76.838 0.771 -9.413 1.00 0.00 H new ATOM 1030 N THR A 72 72.468 6.490 -8.731 1.00 0.00 N ATOM 1031 CA THR A 72 72.385 6.392 -7.245 1.00 0.00 C ATOM 1032 C THR A 72 71.263 5.432 -6.837 1.00 0.00 C ATOM 1033 O THR A 72 70.870 4.564 -7.590 1.00 0.00 O ATOM 1034 CB THR A 72 72.075 7.813 -6.773 1.00 0.00 C ATOM 1035 OG1 THR A 72 70.877 8.265 -7.390 1.00 0.00 O ATOM 1036 CG2 THR A 72 73.229 8.741 -7.152 1.00 0.00 C ATOM 0 HA THR A 72 73.305 6.007 -6.804 1.00 0.00 H new ATOM 0 HB THR A 72 71.950 7.818 -5.690 1.00 0.00 H new ATOM 0 HG1 THR A 72 70.761 7.811 -8.251 1.00 0.00 H new ATOM 0 HG21 THR A 72 73.007 9.754 -6.815 1.00 0.00 H new ATOM 0 HG22 THR A 72 74.146 8.393 -6.677 1.00 0.00 H new ATOM 0 HG23 THR A 72 73.357 8.739 -8.234 1.00 0.00 H new ATOM 1044 N ILE A 73 70.745 5.582 -5.646 1.00 0.00 N ATOM 1045 CA ILE A 73 69.651 4.677 -5.189 1.00 0.00 C ATOM 1046 C ILE A 73 68.366 5.480 -4.956 1.00 0.00 C ATOM 1047 O ILE A 73 68.327 6.390 -4.152 1.00 0.00 O ATOM 1048 CB ILE A 73 70.158 4.073 -3.878 1.00 0.00 C ATOM 1049 CG1 ILE A 73 69.004 3.365 -3.163 1.00 0.00 C ATOM 1050 CG2 ILE A 73 70.710 5.181 -2.980 1.00 0.00 C ATOM 1051 CD1 ILE A 73 68.662 2.071 -3.903 1.00 0.00 C ATOM 0 H ILE A 73 71.032 6.291 -4.971 1.00 0.00 H new ATOM 0 HA ILE A 73 69.414 3.908 -5.924 1.00 0.00 H new ATOM 0 HB ILE A 73 70.949 3.355 -4.094 1.00 0.00 H new ATOM 0 HG12 ILE A 73 69.282 3.144 -2.132 1.00 0.00 H new ATOM 0 HG13 ILE A 73 68.131 4.017 -3.126 1.00 0.00 H new ATOM 0 HG21 ILE A 73 71.070 4.748 -2.047 1.00 0.00 H new ATOM 0 HG22 ILE A 73 71.533 5.685 -3.488 1.00 0.00 H new ATOM 0 HG23 ILE A 73 69.921 5.902 -2.764 1.00 0.00 H new ATOM 0 HD11 ILE A 73 67.840 1.567 -3.394 1.00 0.00 H new ATOM 0 HD12 ILE A 73 68.367 2.304 -4.926 1.00 0.00 H new ATOM 0 HD13 ILE A 73 69.535 1.418 -3.917 1.00 0.00 H new ATOM 1063 N ASP A 74 67.314 5.150 -5.654 1.00 0.00 N ATOM 1064 CA ASP A 74 66.035 5.894 -5.474 1.00 0.00 C ATOM 1065 C ASP A 74 65.235 5.301 -4.311 1.00 0.00 C ATOM 1066 O ASP A 74 65.185 4.100 -4.129 1.00 0.00 O ATOM 1067 CB ASP A 74 65.282 5.711 -6.792 1.00 0.00 C ATOM 1068 CG ASP A 74 65.991 6.496 -7.896 1.00 0.00 C ATOM 1069 OD1 ASP A 74 67.163 6.238 -8.119 1.00 0.00 O ATOM 1070 OD2 ASP A 74 65.351 7.340 -8.500 1.00 0.00 O ATOM 0 H ASP A 74 67.285 4.397 -6.341 1.00 0.00 H new ATOM 0 HA ASP A 74 66.199 6.946 -5.241 1.00 0.00 H new ATOM 0 HB2 ASP A 74 65.237 4.654 -7.054 1.00 0.00 H new ATOM 0 HB3 ASP A 74 64.254 6.058 -6.687 1.00 0.00 H new ATOM 1075 N PHE A 75 64.610 6.130 -3.519 1.00 0.00 N ATOM 1076 CA PHE A 75 63.818 5.604 -2.370 1.00 0.00 C ATOM 1077 C PHE A 75 62.937 4.441 -2.829 1.00 0.00 C ATOM 1078 O PHE A 75 62.906 3.393 -2.212 1.00 0.00 O ATOM 1079 CB PHE A 75 62.958 6.778 -1.900 1.00 0.00 C ATOM 1080 CG PHE A 75 62.513 6.531 -0.478 1.00 0.00 C ATOM 1081 CD1 PHE A 75 61.676 5.448 -0.186 1.00 0.00 C ATOM 1082 CD2 PHE A 75 62.941 7.382 0.549 1.00 0.00 C ATOM 1083 CE1 PHE A 75 61.264 5.216 1.132 1.00 0.00 C ATOM 1084 CE2 PHE A 75 62.530 7.149 1.868 1.00 0.00 C ATOM 1085 CZ PHE A 75 61.692 6.066 2.159 1.00 0.00 C ATOM 0 H PHE A 75 64.613 7.145 -3.617 1.00 0.00 H new ATOM 0 HA PHE A 75 64.455 5.227 -1.570 1.00 0.00 H new ATOM 0 HB2 PHE A 75 63.526 7.707 -1.960 1.00 0.00 H new ATOM 0 HB3 PHE A 75 62.091 6.892 -2.550 1.00 0.00 H new ATOM 0 HD1 PHE A 75 61.348 4.791 -0.978 1.00 0.00 H new ATOM 0 HD2 PHE A 75 63.588 8.217 0.324 1.00 0.00 H new ATOM 0 HE1 PHE A 75 60.616 4.382 1.356 1.00 0.00 H new ATOM 0 HE2 PHE A 75 62.860 7.805 2.660 1.00 0.00 H new ATOM 0 HZ PHE A 75 61.376 5.886 3.176 1.00 0.00 H new ATOM 1095 N GLU A 76 62.221 4.610 -3.908 1.00 0.00 N ATOM 1096 CA GLU A 76 61.351 3.504 -4.398 1.00 0.00 C ATOM 1097 C GLU A 76 62.178 2.226 -4.547 1.00 0.00 C ATOM 1098 O GLU A 76 61.731 1.142 -4.229 1.00 0.00 O ATOM 1099 CB GLU A 76 60.832 3.974 -5.759 1.00 0.00 C ATOM 1100 CG GLU A 76 62.014 4.281 -6.681 1.00 0.00 C ATOM 1101 CD GLU A 76 61.492 4.743 -8.042 1.00 0.00 C ATOM 1102 OE1 GLU A 76 60.866 3.943 -8.719 1.00 0.00 O ATOM 1103 OE2 GLU A 76 61.724 5.891 -8.386 1.00 0.00 O ATOM 0 H GLU A 76 62.201 5.462 -4.469 1.00 0.00 H new ATOM 0 HA GLU A 76 60.533 3.281 -3.713 1.00 0.00 H new ATOM 0 HB2 GLU A 76 60.201 3.205 -6.204 1.00 0.00 H new ATOM 0 HB3 GLU A 76 60.213 4.863 -5.636 1.00 0.00 H new ATOM 0 HG2 GLU A 76 62.643 5.054 -6.239 1.00 0.00 H new ATOM 0 HG3 GLU A 76 62.636 3.394 -6.800 1.00 0.00 H new ATOM 1110 N GLU A 77 63.387 2.348 -5.021 1.00 0.00 N ATOM 1111 CA GLU A 77 64.251 1.145 -5.182 1.00 0.00 C ATOM 1112 C GLU A 77 64.795 0.710 -3.819 1.00 0.00 C ATOM 1113 O GLU A 77 64.601 -0.410 -3.393 1.00 0.00 O ATOM 1114 CB GLU A 77 65.389 1.594 -6.098 1.00 0.00 C ATOM 1115 CG GLU A 77 65.853 0.412 -6.954 1.00 0.00 C ATOM 1116 CD GLU A 77 64.693 -0.075 -7.824 1.00 0.00 C ATOM 1117 OE1 GLU A 77 64.152 0.732 -8.562 1.00 0.00 O ATOM 1118 OE2 GLU A 77 64.365 -1.247 -7.738 1.00 0.00 O ATOM 0 H GLU A 77 63.814 3.230 -5.304 1.00 0.00 H new ATOM 0 HA GLU A 77 63.710 0.295 -5.597 1.00 0.00 H new ATOM 0 HB2 GLU A 77 65.054 2.411 -6.738 1.00 0.00 H new ATOM 0 HB3 GLU A 77 66.220 1.974 -5.504 1.00 0.00 H new ATOM 0 HG2 GLU A 77 66.692 0.712 -7.582 1.00 0.00 H new ATOM 0 HG3 GLU A 77 66.207 -0.397 -6.315 1.00 0.00 H new ATOM 1125 N PHE A 78 65.469 1.590 -3.129 1.00 0.00 N ATOM 1126 CA PHE A 78 66.016 1.225 -1.792 1.00 0.00 C ATOM 1127 C PHE A 78 64.938 0.523 -0.965 1.00 0.00 C ATOM 1128 O PHE A 78 65.223 -0.349 -0.167 1.00 0.00 O ATOM 1129 CB PHE A 78 66.410 2.553 -1.145 1.00 0.00 C ATOM 1130 CG PHE A 78 67.016 2.289 0.213 1.00 0.00 C ATOM 1131 CD1 PHE A 78 68.354 1.896 0.318 1.00 0.00 C ATOM 1132 CD2 PHE A 78 66.238 2.435 1.368 1.00 0.00 C ATOM 1133 CE1 PHE A 78 68.916 1.649 1.577 1.00 0.00 C ATOM 1134 CE2 PHE A 78 66.799 2.189 2.627 1.00 0.00 C ATOM 1135 CZ PHE A 78 68.138 1.796 2.732 1.00 0.00 C ATOM 0 H PHE A 78 65.664 2.544 -3.433 1.00 0.00 H new ATOM 0 HA PHE A 78 66.864 0.543 -1.861 1.00 0.00 H new ATOM 0 HB2 PHE A 78 67.124 3.081 -1.778 1.00 0.00 H new ATOM 0 HB3 PHE A 78 65.535 3.196 -1.046 1.00 0.00 H new ATOM 0 HD1 PHE A 78 68.955 1.783 -0.572 1.00 0.00 H new ATOM 0 HD2 PHE A 78 65.204 2.738 1.288 1.00 0.00 H new ATOM 0 HE1 PHE A 78 69.949 1.345 1.657 1.00 0.00 H new ATOM 0 HE2 PHE A 78 66.198 2.303 3.517 1.00 0.00 H new ATOM 0 HZ PHE A 78 68.571 1.606 3.703 1.00 0.00 H new ATOM 1145 N LEU A 79 63.701 0.894 -1.150 1.00 0.00 N ATOM 1146 CA LEU A 79 62.606 0.243 -0.376 1.00 0.00 C ATOM 1147 C LEU A 79 62.816 -1.272 -0.354 1.00 0.00 C ATOM 1148 O LEU A 79 62.476 -1.942 0.600 1.00 0.00 O ATOM 1149 CB LEU A 79 61.322 0.600 -1.124 1.00 0.00 C ATOM 1150 CG LEU A 79 60.746 1.897 -0.555 1.00 0.00 C ATOM 1151 CD1 LEU A 79 59.718 2.472 -1.530 1.00 0.00 C ATOM 1152 CD2 LEU A 79 60.067 1.606 0.787 1.00 0.00 C ATOM 0 H LEU A 79 63.401 1.618 -1.802 1.00 0.00 H new ATOM 0 HA LEU A 79 62.573 0.577 0.661 1.00 0.00 H new ATOM 0 HB2 LEU A 79 61.528 0.717 -2.188 1.00 0.00 H new ATOM 0 HB3 LEU A 79 60.595 -0.207 -1.027 1.00 0.00 H new ATOM 0 HG LEU A 79 61.550 2.618 -0.409 1.00 0.00 H new ATOM 0 HD11 LEU A 79 59.308 3.396 -1.123 1.00 0.00 H new ATOM 0 HD12 LEU A 79 60.199 2.678 -2.486 1.00 0.00 H new ATOM 0 HD13 LEU A 79 58.913 1.752 -1.677 1.00 0.00 H new ATOM 0 HD21 LEU A 79 59.656 2.530 1.194 1.00 0.00 H new ATOM 0 HD22 LEU A 79 59.263 0.885 0.639 1.00 0.00 H new ATOM 0 HD23 LEU A 79 60.798 1.196 1.484 1.00 0.00 H new ATOM 1164 N VAL A 80 63.383 -1.814 -1.397 1.00 0.00 N ATOM 1165 CA VAL A 80 63.623 -3.282 -1.432 1.00 0.00 C ATOM 1166 C VAL A 80 64.745 -3.643 -0.457 1.00 0.00 C ATOM 1167 O VAL A 80 64.668 -4.620 0.260 1.00 0.00 O ATOM 1168 CB VAL A 80 64.028 -3.586 -2.878 1.00 0.00 C ATOM 1169 CG1 VAL A 80 65.491 -3.196 -3.106 1.00 0.00 C ATOM 1170 CG2 VAL A 80 63.854 -5.082 -3.149 1.00 0.00 C ATOM 0 H VAL A 80 63.690 -1.303 -2.225 1.00 0.00 H new ATOM 0 HA VAL A 80 62.748 -3.860 -1.136 1.00 0.00 H new ATOM 0 HB VAL A 80 63.395 -3.011 -3.555 1.00 0.00 H new ATOM 0 HG11 VAL A 80 65.770 -3.416 -4.137 1.00 0.00 H new ATOM 0 HG12 VAL A 80 65.617 -2.130 -2.915 1.00 0.00 H new ATOM 0 HG13 VAL A 80 66.129 -3.764 -2.429 1.00 0.00 H new ATOM 0 HG21 VAL A 80 64.141 -5.301 -4.177 1.00 0.00 H new ATOM 0 HG22 VAL A 80 64.485 -5.651 -2.467 1.00 0.00 H new ATOM 0 HG23 VAL A 80 62.811 -5.361 -2.996 1.00 0.00 H new ATOM 1180 N MET A 81 65.784 -2.854 -0.418 1.00 0.00 N ATOM 1181 CA MET A 81 66.903 -3.148 0.520 1.00 0.00 C ATOM 1182 C MET A 81 66.397 -3.079 1.960 1.00 0.00 C ATOM 1183 O MET A 81 66.823 -3.828 2.817 1.00 0.00 O ATOM 1184 CB MET A 81 67.941 -2.056 0.257 1.00 0.00 C ATOM 1185 CG MET A 81 68.794 -2.442 -0.952 1.00 0.00 C ATOM 1186 SD MET A 81 69.669 -3.988 -0.605 1.00 0.00 S ATOM 1187 CE MET A 81 68.630 -5.070 -1.618 1.00 0.00 C ATOM 0 H MET A 81 65.906 -2.021 -0.994 1.00 0.00 H new ATOM 0 HA MET A 81 67.323 -4.143 0.374 1.00 0.00 H new ATOM 0 HB2 MET A 81 67.444 -1.103 0.075 1.00 0.00 H new ATOM 0 HB3 MET A 81 68.574 -1.923 1.134 1.00 0.00 H new ATOM 0 HG2 MET A 81 68.163 -2.559 -1.833 1.00 0.00 H new ATOM 0 HG3 MET A 81 69.508 -1.649 -1.174 1.00 0.00 H new ATOM 0 HE1 MET A 81 69.076 -6.063 -1.665 1.00 0.00 H new ATOM 0 HE2 MET A 81 67.636 -5.139 -1.175 1.00 0.00 H new ATOM 0 HE3 MET A 81 68.551 -4.660 -2.625 1.00 0.00 H new ATOM 1197 N MET A 82 65.483 -2.188 2.231 1.00 0.00 N ATOM 1198 CA MET A 82 64.939 -2.076 3.614 1.00 0.00 C ATOM 1199 C MET A 82 64.345 -3.417 4.046 1.00 0.00 C ATOM 1200 O MET A 82 64.775 -4.015 5.010 1.00 0.00 O ATOM 1201 CB MET A 82 63.845 -1.010 3.529 1.00 0.00 C ATOM 1202 CG MET A 82 64.452 0.321 3.082 1.00 0.00 C ATOM 1203 SD MET A 82 63.134 1.547 2.890 1.00 0.00 S ATOM 1204 CE MET A 82 63.956 2.913 3.746 1.00 0.00 C ATOM 0 H MET A 82 65.090 -1.533 1.555 1.00 0.00 H new ATOM 0 HA MET A 82 65.706 -1.811 4.342 1.00 0.00 H new ATOM 0 HB2 MET A 82 63.074 -1.323 2.825 1.00 0.00 H new ATOM 0 HB3 MET A 82 63.363 -0.893 4.499 1.00 0.00 H new ATOM 0 HG2 MET A 82 65.181 0.666 3.816 1.00 0.00 H new ATOM 0 HG3 MET A 82 64.985 0.192 2.140 1.00 0.00 H new ATOM 0 HE1 MET A 82 63.215 3.655 4.043 1.00 0.00 H new ATOM 0 HE2 MET A 82 64.465 2.533 4.632 1.00 0.00 H new ATOM 0 HE3 MET A 82 64.684 3.375 3.079 1.00 0.00 H new ATOM 1214 N VAL A 83 63.359 -3.895 3.335 1.00 0.00 N ATOM 1215 CA VAL A 83 62.736 -5.199 3.703 1.00 0.00 C ATOM 1216 C VAL A 83 63.709 -6.348 3.439 1.00 0.00 C ATOM 1217 O VAL A 83 63.857 -7.247 4.243 1.00 0.00 O ATOM 1218 CB VAL A 83 61.508 -5.331 2.801 1.00 0.00 C ATOM 1219 CG1 VAL A 83 61.942 -5.325 1.333 1.00 0.00 C ATOM 1220 CG2 VAL A 83 60.797 -6.650 3.110 1.00 0.00 C ATOM 0 H VAL A 83 62.958 -3.439 2.515 1.00 0.00 H new ATOM 0 HA VAL A 83 62.473 -5.237 4.760 1.00 0.00 H new ATOM 0 HB VAL A 83 60.834 -4.494 2.982 1.00 0.00 H new ATOM 0 HG11 VAL A 83 61.064 -5.419 0.694 1.00 0.00 H new ATOM 0 HG12 VAL A 83 62.455 -4.390 1.109 1.00 0.00 H new ATOM 0 HG13 VAL A 83 62.616 -6.162 1.149 1.00 0.00 H new ATOM 0 HG21 VAL A 83 59.920 -6.750 2.470 1.00 0.00 H new ATOM 0 HG22 VAL A 83 61.477 -7.482 2.926 1.00 0.00 H new ATOM 0 HG23 VAL A 83 60.486 -6.660 4.155 1.00 0.00 H new ATOM 1230 N ARG A 84 64.372 -6.331 2.315 1.00 0.00 N ATOM 1231 CA ARG A 84 65.330 -7.428 2.001 1.00 0.00 C ATOM 1232 C ARG A 84 66.321 -7.605 3.153 1.00 0.00 C ATOM 1233 O ARG A 84 66.642 -8.710 3.544 1.00 0.00 O ATOM 1234 CB ARG A 84 66.047 -6.977 0.730 1.00 0.00 C ATOM 1235 CG ARG A 84 65.075 -7.048 -0.449 1.00 0.00 C ATOM 1236 CD ARG A 84 64.911 -8.505 -0.888 1.00 0.00 C ATOM 1237 NE ARG A 84 63.768 -8.494 -1.843 1.00 0.00 N ATOM 1238 CZ ARG A 84 62.930 -9.495 -1.869 1.00 0.00 C ATOM 1239 NH1 ARG A 84 63.379 -10.720 -1.886 1.00 0.00 N ATOM 1240 NH2 ARG A 84 61.645 -9.270 -1.878 1.00 0.00 N ATOM 0 H ARG A 84 64.292 -5.606 1.602 1.00 0.00 H new ATOM 0 HA ARG A 84 64.833 -8.388 1.863 1.00 0.00 H new ATOM 0 HB2 ARG A 84 66.418 -5.959 0.850 1.00 0.00 H new ATOM 0 HB3 ARG A 84 66.913 -7.612 0.542 1.00 0.00 H new ATOM 0 HG2 ARG A 84 64.109 -6.632 -0.163 1.00 0.00 H new ATOM 0 HG3 ARG A 84 65.448 -6.447 -1.278 1.00 0.00 H new ATOM 0 HD2 ARG A 84 65.818 -8.879 -1.363 1.00 0.00 H new ATOM 0 HD3 ARG A 84 64.707 -9.153 -0.036 1.00 0.00 H new ATOM 0 HE ARG A 84 63.640 -7.705 -2.476 1.00 0.00 H new ATOM 0 HH11 ARG A 84 64.384 -10.895 -1.879 1.00 0.00 H new ATOM 0 HH12 ARG A 84 62.725 -11.503 -1.906 1.00 0.00 H new ATOM 0 HH21 ARG A 84 61.295 -8.312 -1.865 1.00 0.00 H new ATOM 0 HH22 ARG A 84 60.990 -10.052 -1.898 1.00 0.00 H new ATOM 1254 N GLN A 85 66.806 -6.526 3.705 1.00 0.00 N ATOM 1255 CA GLN A 85 67.768 -6.640 4.836 1.00 0.00 C ATOM 1256 C GLN A 85 67.016 -6.962 6.129 1.00 0.00 C ATOM 1257 O GLN A 85 67.418 -7.812 6.899 1.00 0.00 O ATOM 1258 CB GLN A 85 68.440 -5.270 4.931 1.00 0.00 C ATOM 1259 CG GLN A 85 69.470 -5.283 6.062 1.00 0.00 C ATOM 1260 CD GLN A 85 70.581 -6.281 5.729 1.00 0.00 C ATOM 1261 OE1 GLN A 85 71.185 -6.206 4.677 1.00 0.00 O ATOM 1262 NE2 GLN A 85 70.879 -7.218 6.587 1.00 0.00 N ATOM 0 H GLN A 85 66.578 -5.573 3.422 1.00 0.00 H new ATOM 0 HA GLN A 85 68.497 -7.436 4.682 1.00 0.00 H new ATOM 0 HB2 GLN A 85 68.925 -5.025 3.986 1.00 0.00 H new ATOM 0 HB3 GLN A 85 67.692 -4.499 5.115 1.00 0.00 H new ATOM 0 HG2 GLN A 85 69.890 -4.286 6.197 1.00 0.00 H new ATOM 0 HG3 GLN A 85 68.990 -5.557 7.002 1.00 0.00 H new ATOM 0 HE21 GLN A 85 70.372 -7.281 7.470 1.00 0.00 H new ATOM 0 HE22 GLN A 85 71.619 -7.887 6.375 1.00 0.00 H new ATOM 1271 N MET A 86 65.920 -6.293 6.372 1.00 0.00 N ATOM 1272 CA MET A 86 65.141 -6.566 7.613 1.00 0.00 C ATOM 1273 C MET A 86 64.584 -7.990 7.579 1.00 0.00 C ATOM 1274 O MET A 86 64.321 -8.586 8.604 1.00 0.00 O ATOM 1275 CB MET A 86 64.002 -5.547 7.605 1.00 0.00 C ATOM 1276 CG MET A 86 64.201 -4.552 8.749 1.00 0.00 C ATOM 1277 SD MET A 86 62.779 -3.434 8.830 1.00 0.00 S ATOM 1278 CE MET A 86 63.283 -2.329 7.487 1.00 0.00 C ATOM 0 H MET A 86 65.532 -5.571 5.765 1.00 0.00 H new ATOM 0 HA MET A 86 65.753 -6.481 8.511 1.00 0.00 H new ATOM 0 HB2 MET A 86 63.977 -5.021 6.651 1.00 0.00 H new ATOM 0 HB3 MET A 86 63.044 -6.055 7.713 1.00 0.00 H new ATOM 0 HG2 MET A 86 64.313 -5.085 9.693 1.00 0.00 H new ATOM 0 HG3 MET A 86 65.117 -3.982 8.594 1.00 0.00 H new ATOM 0 HE1 MET A 86 63.481 -1.335 7.888 1.00 0.00 H new ATOM 0 HE2 MET A 86 64.186 -2.717 7.016 1.00 0.00 H new ATOM 0 HE3 MET A 86 62.485 -2.269 6.746 1.00 0.00 H new ATOM 1288 N LYS A 87 64.404 -8.544 6.412 1.00 0.00 N ATOM 1289 CA LYS A 87 63.869 -9.930 6.328 1.00 0.00 C ATOM 1290 C LYS A 87 64.657 -10.838 7.274 1.00 0.00 C ATOM 1291 O LYS A 87 64.159 -11.835 7.757 1.00 0.00 O ATOM 1292 CB LYS A 87 64.077 -10.351 4.872 1.00 0.00 C ATOM 1293 CG LYS A 87 63.004 -9.703 3.993 1.00 0.00 C ATOM 1294 CD LYS A 87 61.970 -10.756 3.590 1.00 0.00 C ATOM 1295 CE LYS A 87 60.565 -10.153 3.675 1.00 0.00 C ATOM 1296 NZ LYS A 87 59.845 -10.686 2.485 1.00 0.00 N ATOM 0 H LYS A 87 64.604 -8.098 5.517 1.00 0.00 H new ATOM 0 HA LYS A 87 62.820 -9.995 6.616 1.00 0.00 H new ATOM 0 HB2 LYS A 87 65.069 -10.051 4.534 1.00 0.00 H new ATOM 0 HB3 LYS A 87 64.026 -11.436 4.786 1.00 0.00 H new ATOM 0 HG2 LYS A 87 62.519 -8.890 4.533 1.00 0.00 H new ATOM 0 HG3 LYS A 87 63.461 -9.268 3.104 1.00 0.00 H new ATOM 0 HD2 LYS A 87 62.167 -11.104 2.576 1.00 0.00 H new ATOM 0 HD3 LYS A 87 62.045 -11.624 4.245 1.00 0.00 H new ATOM 0 HE2 LYS A 87 60.067 -10.442 4.600 1.00 0.00 H new ATOM 0 HE3 LYS A 87 60.601 -9.064 3.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 58.873 -10.317 2.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 60.338 -10.389 1.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 59.820 -11.725 2.531 1.00 0.00 H new ATOM 1310 N GLU A 88 65.885 -10.488 7.547 1.00 0.00 N ATOM 1311 CA GLU A 88 66.713 -11.315 8.469 1.00 0.00 C ATOM 1312 C GLU A 88 66.714 -10.698 9.870 1.00 0.00 C ATOM 1313 O GLU A 88 66.720 -11.393 10.867 1.00 0.00 O ATOM 1314 CB GLU A 88 68.120 -11.282 7.869 1.00 0.00 C ATOM 1315 CG GLU A 88 68.631 -12.712 7.682 1.00 0.00 C ATOM 1316 CD GLU A 88 68.654 -13.056 6.192 1.00 0.00 C ATOM 1317 OE1 GLU A 88 67.776 -12.590 5.484 1.00 0.00 O ATOM 1318 OE2 GLU A 88 69.549 -13.777 5.784 1.00 0.00 O ATOM 0 H GLU A 88 66.351 -9.663 7.170 1.00 0.00 H new ATOM 0 HA GLU A 88 66.334 -12.332 8.569 1.00 0.00 H new ATOM 0 HB2 GLU A 88 68.106 -10.762 6.911 1.00 0.00 H new ATOM 0 HB3 GLU A 88 68.793 -10.727 8.523 1.00 0.00 H new ATOM 0 HG2 GLU A 88 69.631 -12.810 8.104 1.00 0.00 H new ATOM 0 HG3 GLU A 88 67.989 -13.412 8.218 1.00 0.00 H new ATOM 1325 N ASP A 89 66.710 -9.395 9.952 1.00 0.00 N ATOM 1326 CA ASP A 89 66.711 -8.730 11.287 1.00 0.00 C ATOM 1327 C ASP A 89 65.295 -8.702 11.868 1.00 0.00 C ATOM 1328 O ASP A 89 65.105 -8.693 13.068 1.00 0.00 O ATOM 1329 CB ASP A 89 67.209 -7.309 11.020 1.00 0.00 C ATOM 1330 CG ASP A 89 67.399 -6.577 12.350 1.00 0.00 C ATOM 1331 OD1 ASP A 89 66.535 -6.700 13.201 1.00 0.00 O ATOM 1332 OD2 ASP A 89 68.409 -5.905 12.495 1.00 0.00 O ATOM 0 H ASP A 89 66.706 -8.762 9.152 1.00 0.00 H new ATOM 0 HA ASP A 89 67.338 -9.254 12.008 1.00 0.00 H new ATOM 0 HB2 ASP A 89 68.150 -7.339 10.472 1.00 0.00 H new ATOM 0 HB3 ASP A 89 66.494 -6.773 10.396 1.00 0.00 H new ATOM 1337 N ALA A 90 64.299 -8.689 11.026 1.00 0.00 N ATOM 1338 CA ALA A 90 62.896 -8.662 11.529 1.00 0.00 C ATOM 1339 C ALA A 90 62.451 -10.073 11.925 1.00 0.00 C ATOM 1340 O ALA A 90 62.019 -10.242 13.053 1.00 0.00 O ATOM 1341 CB ALA A 90 62.063 -8.145 10.355 1.00 0.00 C ATOM 1342 OXT ALA A 90 62.549 -10.959 11.092 1.00 0.00 O ATOM 0 H ALA A 90 64.396 -8.696 10.011 1.00 0.00 H new ATOM 0 HA ALA A 90 62.785 -8.034 12.413 1.00 0.00 H new ATOM 0 HB1 ALA A 90 61.014 -8.096 10.647 1.00 0.00 H new ATOM 0 HB2 ALA A 90 62.408 -7.150 10.074 1.00 0.00 H new ATOM 0 HB3 ALA A 90 62.172 -8.820 9.506 1.00 0.00 H new