USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=17 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 Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.0051) USER MOD Single : A 7 GLN :FLIP amide:sc= -0.112 F(o=-1,f=-0.11) USER MOD Single : A 15 SER OG : rot 180:sc= 0.175 USER MOD Single : A 18 MET CE :methyl -172:sc= -0.502 (180deg=-1.02) USER MOD Single : A 23 LYS NZ :NH3+ -137:sc= -0.127 (180deg=-0.671) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= -0.229 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0375 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 -169:sc= -2.65! (180deg=-3.4!) USER MOD Single : A 48 MET CE :methyl -108:sc= -0.206 (180deg=-1.08) USER MOD Single : A 51 GLN :FLIP amide:sc= -13.4! C(o=-16!,f=-13!) USER MOD Single : A 52 ASN : amide:sc= -0.0553 K(o=-0.055,f=-1.9!) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.827 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 146:sc= 0.796 USER MOD Single : A 81 MET CE :methyl 163:sc= -8.89! (180deg=-9.74!) USER MOD Single : A 82 MET CE :methyl -159:sc= -2.02 (180deg=-3.26!) USER MOD Single : A 85 GLN :FLIP amide:sc= -0.473 F(o=-1.3,f=-0.47) USER MOD Single : A 86 MET CE :methyl 147:sc= -0.325 (180deg=-1.5!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 24 N MET A 3 63.960 -6.617 -11.399 1.00 0.00 N ATOM 25 CA MET A 3 64.014 -5.751 -10.186 1.00 0.00 C ATOM 26 C MET A 3 62.671 -5.048 -9.978 1.00 0.00 C ATOM 27 O MET A 3 62.226 -4.853 -8.865 1.00 0.00 O ATOM 28 CB MET A 3 65.116 -4.732 -10.476 1.00 0.00 C ATOM 29 CG MET A 3 66.414 -5.181 -9.805 1.00 0.00 C ATOM 30 SD MET A 3 67.136 -3.791 -8.897 1.00 0.00 S ATOM 31 CE MET A 3 68.482 -3.439 -10.053 1.00 0.00 C ATOM 0 HA MET A 3 64.216 -6.321 -9.279 1.00 0.00 H new ATOM 0 HB2 MET A 3 65.264 -4.637 -11.552 1.00 0.00 H new ATOM 0 HB3 MET A 3 64.824 -3.749 -10.106 1.00 0.00 H new ATOM 0 HG2 MET A 3 66.217 -6.010 -9.125 1.00 0.00 H new ATOM 0 HG3 MET A 3 67.117 -5.544 -10.555 1.00 0.00 H new ATOM 0 HE1 MET A 3 69.069 -2.598 -9.683 1.00 0.00 H new ATOM 0 HE2 MET A 3 69.122 -4.316 -10.144 1.00 0.00 H new ATOM 0 HE3 MET A 3 68.067 -3.190 -11.030 1.00 0.00 H new ATOM 41 N THR A 4 62.020 -4.665 -11.043 1.00 0.00 N ATOM 42 CA THR A 4 60.706 -3.975 -10.904 1.00 0.00 C ATOM 43 C THR A 4 59.802 -4.750 -9.942 1.00 0.00 C ATOM 44 O THR A 4 58.885 -4.205 -9.362 1.00 0.00 O ATOM 45 CB THR A 4 60.110 -3.967 -12.313 1.00 0.00 C ATOM 46 OG1 THR A 4 58.959 -3.136 -12.333 1.00 0.00 O ATOM 47 CG2 THR A 4 59.722 -5.390 -12.714 1.00 0.00 C ATOM 0 H THR A 4 62.341 -4.800 -12.002 1.00 0.00 H new ATOM 0 HA THR A 4 60.809 -2.968 -10.501 1.00 0.00 H new ATOM 0 HB THR A 4 60.848 -3.583 -13.018 1.00 0.00 H new ATOM 0 HG1 THR A 4 58.577 -3.128 -13.235 1.00 0.00 H new ATOM 0 HG21 THR A 4 59.298 -5.382 -13.718 1.00 0.00 H new ATOM 0 HG22 THR A 4 60.607 -6.026 -12.699 1.00 0.00 H new ATOM 0 HG23 THR A 4 58.984 -5.778 -12.011 1.00 0.00 H new ATOM 55 N ASP A 5 60.057 -6.017 -9.766 1.00 0.00 N ATOM 56 CA ASP A 5 59.214 -6.825 -8.838 1.00 0.00 C ATOM 57 C ASP A 5 59.691 -6.638 -7.396 1.00 0.00 C ATOM 58 O ASP A 5 58.927 -6.286 -6.520 1.00 0.00 O ATOM 59 CB ASP A 5 59.410 -8.274 -9.284 1.00 0.00 C ATOM 60 CG ASP A 5 58.045 -8.927 -9.510 1.00 0.00 C ATOM 61 OD1 ASP A 5 57.232 -8.887 -8.600 1.00 0.00 O ATOM 62 OD2 ASP A 5 57.835 -9.456 -10.589 1.00 0.00 O ATOM 0 H ASP A 5 60.812 -6.528 -10.224 1.00 0.00 H new ATOM 0 HA ASP A 5 58.165 -6.529 -8.868 1.00 0.00 H new ATOM 0 HB2 ASP A 5 59.997 -8.307 -10.202 1.00 0.00 H new ATOM 0 HB3 ASP A 5 59.969 -8.826 -8.528 1.00 0.00 H new ATOM 67 N GLN A 6 60.949 -6.873 -7.145 1.00 0.00 N ATOM 68 CA GLN A 6 61.477 -6.709 -5.760 1.00 0.00 C ATOM 69 C GLN A 6 61.035 -5.363 -5.181 1.00 0.00 C ATOM 70 O GLN A 6 60.958 -5.188 -3.981 1.00 0.00 O ATOM 71 CB GLN A 6 62.997 -6.757 -5.907 1.00 0.00 C ATOM 72 CG GLN A 6 63.559 -7.889 -5.046 1.00 0.00 C ATOM 73 CD GLN A 6 64.257 -8.915 -5.941 1.00 0.00 C ATOM 74 OE1 GLN A 6 65.254 -8.613 -6.567 1.00 0.00 O ATOM 75 NE2 GLN A 6 63.774 -10.123 -6.027 1.00 0.00 N ATOM 0 H GLN A 6 61.635 -7.172 -7.838 1.00 0.00 H new ATOM 0 HA GLN A 6 61.109 -7.481 -5.084 1.00 0.00 H new ATOM 0 HB2 GLN A 6 63.267 -6.912 -6.952 1.00 0.00 H new ATOM 0 HB3 GLN A 6 63.432 -5.805 -5.604 1.00 0.00 H new ATOM 0 HG2 GLN A 6 64.263 -7.489 -4.316 1.00 0.00 H new ATOM 0 HG3 GLN A 6 62.755 -8.367 -4.486 1.00 0.00 H new ATOM 0 HE21 GLN A 6 62.937 -10.376 -5.502 1.00 0.00 H new ATOM 0 HE22 GLN A 6 64.233 -10.815 -6.620 1.00 0.00 H new ATOM 84 N GLN A 7 60.743 -4.409 -6.023 1.00 0.00 N ATOM 85 CA GLN A 7 60.307 -3.076 -5.516 1.00 0.00 C ATOM 86 C GLN A 7 58.863 -3.150 -5.012 1.00 0.00 C ATOM 87 O GLN A 7 58.596 -2.984 -3.839 1.00 0.00 O ATOM 88 CB GLN A 7 60.408 -2.139 -6.720 1.00 0.00 C ATOM 89 CG GLN A 7 61.757 -1.416 -6.694 1.00 0.00 C ATOM 90 CD GLN A 7 62.567 -1.801 -7.933 1.00 0.00 C ATOM 91 OE1 GLN A 7 63.593 -2.598 -7.805 1.00 0.00 O flip ATOM 92 NE2 GLN A 7 62.264 -1.374 -9.029 1.00 0.00 N flip ATOM 0 H GLN A 7 60.787 -4.495 -7.038 1.00 0.00 H new ATOM 0 HA GLN A 7 60.918 -2.732 -4.682 1.00 0.00 H new ATOM 0 HB2 GLN A 7 60.305 -2.706 -7.645 1.00 0.00 H new ATOM 0 HB3 GLN A 7 59.594 -1.414 -6.699 1.00 0.00 H new ATOM 0 HG2 GLN A 7 61.603 -0.337 -6.668 1.00 0.00 H new ATOM 0 HG3 GLN A 7 62.306 -1.681 -5.791 1.00 0.00 H new ATOM 0 HE21 GLN A 7 61.463 -0.751 -9.130 1.00 0.00 H new ATOM 0 HE22 GLN A 7 62.811 -1.638 -9.848 1.00 0.00 H new ATOM 101 N ALA A 8 57.929 -3.400 -5.890 1.00 0.00 N ATOM 102 CA ALA A 8 56.504 -3.483 -5.460 1.00 0.00 C ATOM 103 C ALA A 8 56.379 -4.365 -4.214 1.00 0.00 C ATOM 104 O ALA A 8 55.535 -4.143 -3.368 1.00 0.00 O ATOM 105 CB ALA A 8 55.769 -4.115 -6.641 1.00 0.00 C ATOM 0 H ALA A 8 58.091 -3.550 -6.886 1.00 0.00 H new ATOM 0 HA ALA A 8 56.093 -2.507 -5.201 1.00 0.00 H new ATOM 0 HB1 ALA A 8 54.710 -4.210 -6.402 1.00 0.00 H new ATOM 0 HB2 ALA A 8 55.886 -3.484 -7.522 1.00 0.00 H new ATOM 0 HB3 ALA A 8 56.186 -5.102 -6.843 1.00 0.00 H new ATOM 111 N GLU A 9 57.212 -5.361 -4.094 1.00 0.00 N ATOM 112 CA GLU A 9 57.140 -6.250 -2.900 1.00 0.00 C ATOM 113 C GLU A 9 57.940 -5.641 -1.747 1.00 0.00 C ATOM 114 O GLU A 9 57.700 -5.927 -0.591 1.00 0.00 O ATOM 115 CB GLU A 9 57.763 -7.573 -3.349 1.00 0.00 C ATOM 116 CG GLU A 9 58.085 -8.430 -2.123 1.00 0.00 C ATOM 117 CD GLU A 9 57.773 -9.896 -2.429 1.00 0.00 C ATOM 118 OE1 GLU A 9 58.127 -10.344 -3.507 1.00 0.00 O ATOM 119 OE2 GLU A 9 57.187 -10.546 -1.579 1.00 0.00 O ATOM 0 H GLU A 9 57.939 -5.598 -4.770 1.00 0.00 H new ATOM 0 HA GLU A 9 56.119 -6.385 -2.544 1.00 0.00 H new ATOM 0 HB2 GLU A 9 57.076 -8.105 -4.007 1.00 0.00 H new ATOM 0 HB3 GLU A 9 58.671 -7.383 -3.922 1.00 0.00 H new ATOM 0 HG2 GLU A 9 59.136 -8.319 -1.854 1.00 0.00 H new ATOM 0 HG3 GLU A 9 57.500 -8.094 -1.267 1.00 0.00 H new ATOM 126 N ALA A 10 58.889 -4.799 -2.054 1.00 0.00 N ATOM 127 CA ALA A 10 59.705 -4.168 -0.978 1.00 0.00 C ATOM 128 C ALA A 10 58.936 -3.005 -0.344 1.00 0.00 C ATOM 129 O ALA A 10 58.930 -2.836 0.859 1.00 0.00 O ATOM 130 CB ALA A 10 60.962 -3.661 -1.683 1.00 0.00 C ATOM 0 H ALA A 10 59.135 -4.521 -3.004 1.00 0.00 H new ATOM 0 HA ALA A 10 59.942 -4.865 -0.175 1.00 0.00 H new ATOM 0 HB1 ALA A 10 61.618 -3.181 -0.957 1.00 0.00 H new ATOM 0 HB2 ALA A 10 61.484 -4.499 -2.145 1.00 0.00 H new ATOM 0 HB3 ALA A 10 60.683 -2.940 -2.451 1.00 0.00 H new ATOM 136 N ARG A 11 58.287 -2.201 -1.143 1.00 0.00 N ATOM 137 CA ARG A 11 57.522 -1.051 -0.580 1.00 0.00 C ATOM 138 C ARG A 11 56.224 -1.549 0.064 1.00 0.00 C ATOM 139 O ARG A 11 55.818 -1.084 1.110 1.00 0.00 O ATOM 140 CB ARG A 11 57.199 -0.147 -1.774 1.00 0.00 C ATOM 141 CG ARG A 11 58.415 -0.029 -2.695 1.00 0.00 C ATOM 142 CD ARG A 11 58.030 -0.498 -4.099 1.00 0.00 C ATOM 143 NE ARG A 11 57.386 0.685 -4.735 1.00 0.00 N ATOM 144 CZ ARG A 11 56.161 1.008 -4.420 1.00 0.00 C ATOM 145 NH1 ARG A 11 55.191 0.157 -4.611 1.00 0.00 N ATOM 146 NH2 ARG A 11 55.907 2.184 -3.915 1.00 0.00 N ATOM 0 H ARG A 11 58.253 -2.290 -2.159 1.00 0.00 H new ATOM 0 HA ARG A 11 58.090 -0.524 0.187 1.00 0.00 H new ATOM 0 HB2 ARG A 11 56.353 -0.553 -2.328 1.00 0.00 H new ATOM 0 HB3 ARG A 11 56.904 0.841 -1.421 1.00 0.00 H new ATOM 0 HG2 ARG A 11 58.764 1.003 -2.726 1.00 0.00 H new ATOM 0 HG3 ARG A 11 59.238 -0.632 -2.310 1.00 0.00 H new ATOM 0 HD2 ARG A 11 58.906 -0.821 -4.662 1.00 0.00 H new ATOM 0 HD3 ARG A 11 57.346 -1.346 -4.059 1.00 0.00 H new ATOM 0 HE ARG A 11 57.902 1.242 -5.416 1.00 0.00 H new ATOM 0 HH11 ARG A 11 55.389 -0.762 -5.007 1.00 0.00 H new ATOM 0 HH12 ARG A 11 54.234 0.410 -4.364 1.00 0.00 H new ATOM 0 HH21 ARG A 11 56.665 2.850 -3.767 1.00 0.00 H new ATOM 0 HH22 ARG A 11 54.950 2.437 -3.669 1.00 0.00 H new ATOM 160 N ALA A 12 55.569 -2.490 -0.560 1.00 0.00 N ATOM 161 CA ALA A 12 54.294 -3.019 0.004 1.00 0.00 C ATOM 162 C ALA A 12 54.581 -4.087 1.063 1.00 0.00 C ATOM 163 O ALA A 12 53.686 -4.757 1.539 1.00 0.00 O ATOM 164 CB ALA A 12 53.562 -3.628 -1.191 1.00 0.00 C ATOM 0 H ALA A 12 55.863 -2.917 -1.439 1.00 0.00 H new ATOM 0 HA ALA A 12 53.705 -2.244 0.494 1.00 0.00 H new ATOM 0 HB1 ALA A 12 52.609 -4.042 -0.862 1.00 0.00 H new ATOM 0 HB2 ALA A 12 53.383 -2.856 -1.940 1.00 0.00 H new ATOM 0 HB3 ALA A 12 54.171 -4.421 -1.625 1.00 0.00 H new ATOM 170 N PHE A 13 55.820 -4.251 1.435 1.00 0.00 N ATOM 171 CA PHE A 13 56.161 -5.276 2.464 1.00 0.00 C ATOM 172 C PHE A 13 55.822 -4.748 3.862 1.00 0.00 C ATOM 173 O PHE A 13 55.531 -5.503 4.768 1.00 0.00 O ATOM 174 CB PHE A 13 57.670 -5.495 2.315 1.00 0.00 C ATOM 175 CG PHE A 13 58.228 -6.099 3.582 1.00 0.00 C ATOM 176 CD1 PHE A 13 58.093 -7.471 3.823 1.00 0.00 C ATOM 177 CD2 PHE A 13 58.881 -5.285 4.515 1.00 0.00 C ATOM 178 CE1 PHE A 13 58.609 -8.031 4.997 1.00 0.00 C ATOM 179 CE2 PHE A 13 59.399 -5.844 5.690 1.00 0.00 C ATOM 180 CZ PHE A 13 59.263 -7.216 5.931 1.00 0.00 C ATOM 0 H PHE A 13 56.612 -3.720 1.072 1.00 0.00 H new ATOM 0 HA PHE A 13 55.603 -6.203 2.333 1.00 0.00 H new ATOM 0 HB2 PHE A 13 57.869 -6.153 1.469 1.00 0.00 H new ATOM 0 HB3 PHE A 13 58.165 -4.547 2.105 1.00 0.00 H new ATOM 0 HD1 PHE A 13 57.590 -8.098 3.102 1.00 0.00 H new ATOM 0 HD2 PHE A 13 58.985 -4.226 4.329 1.00 0.00 H new ATOM 0 HE1 PHE A 13 58.503 -9.090 5.183 1.00 0.00 H new ATOM 0 HE2 PHE A 13 59.903 -5.217 6.410 1.00 0.00 H new ATOM 0 HZ PHE A 13 59.662 -7.647 6.837 1.00 0.00 H new ATOM 190 N LEU A 14 55.860 -3.457 4.042 1.00 0.00 N ATOM 191 CA LEU A 14 55.544 -2.880 5.382 1.00 0.00 C ATOM 192 C LEU A 14 54.397 -1.873 5.266 1.00 0.00 C ATOM 193 O LEU A 14 54.204 -1.250 4.241 1.00 0.00 O ATOM 194 CB LEU A 14 56.830 -2.185 5.853 1.00 0.00 C ATOM 195 CG LEU A 14 57.583 -1.589 4.657 1.00 0.00 C ATOM 196 CD1 LEU A 14 56.736 -0.488 4.016 1.00 0.00 C ATOM 197 CD2 LEU A 14 58.910 -0.997 5.136 1.00 0.00 C ATOM 0 H LEU A 14 56.096 -2.776 3.321 1.00 0.00 H new ATOM 0 HA LEU A 14 55.226 -3.647 6.088 1.00 0.00 H new ATOM 0 HB2 LEU A 14 56.585 -1.398 6.566 1.00 0.00 H new ATOM 0 HB3 LEU A 14 57.468 -2.900 6.373 1.00 0.00 H new ATOM 0 HG LEU A 14 57.776 -2.371 3.923 1.00 0.00 H new ATOM 0 HD11 LEU A 14 57.272 -0.065 3.166 1.00 0.00 H new ATOM 0 HD12 LEU A 14 55.790 -0.909 3.676 1.00 0.00 H new ATOM 0 HD13 LEU A 14 56.542 0.295 4.749 1.00 0.00 H new ATOM 0 HD21 LEU A 14 59.447 -0.573 4.287 1.00 0.00 H new ATOM 0 HD22 LEU A 14 58.716 -0.215 5.870 1.00 0.00 H new ATOM 0 HD23 LEU A 14 59.514 -1.781 5.592 1.00 0.00 H new ATOM 209 N SER A 15 53.630 -1.714 6.310 1.00 0.00 N ATOM 210 CA SER A 15 52.491 -0.753 6.264 1.00 0.00 C ATOM 211 C SER A 15 52.981 0.636 5.845 1.00 0.00 C ATOM 212 O SER A 15 54.163 0.863 5.678 1.00 0.00 O ATOM 213 CB SER A 15 51.946 -0.719 7.691 1.00 0.00 C ATOM 214 OG SER A 15 52.205 -1.967 8.322 1.00 0.00 O ATOM 0 H SER A 15 53.743 -2.209 7.195 1.00 0.00 H new ATOM 0 HA SER A 15 51.731 -1.051 5.542 1.00 0.00 H new ATOM 0 HB2 SER A 15 52.414 0.090 8.252 1.00 0.00 H new ATOM 0 HB3 SER A 15 50.874 -0.520 7.679 1.00 0.00 H new ATOM 0 HG SER A 15 51.858 -1.948 9.238 1.00 0.00 H new ATOM 220 N GLU A 16 52.081 1.566 5.677 1.00 0.00 N ATOM 221 CA GLU A 16 52.496 2.938 5.270 1.00 0.00 C ATOM 222 C GLU A 16 53.245 3.624 6.416 1.00 0.00 C ATOM 223 O GLU A 16 54.163 4.390 6.200 1.00 0.00 O ATOM 224 CB GLU A 16 51.190 3.673 4.967 1.00 0.00 C ATOM 225 CG GLU A 16 51.470 5.169 4.812 1.00 0.00 C ATOM 226 CD GLU A 16 50.192 5.885 4.371 1.00 0.00 C ATOM 227 OE1 GLU A 16 49.331 5.228 3.810 1.00 0.00 O ATOM 228 OE2 GLU A 16 50.097 7.079 4.601 1.00 0.00 O ATOM 0 H GLU A 16 51.077 1.435 5.804 1.00 0.00 H new ATOM 0 HA GLU A 16 53.167 2.930 4.411 1.00 0.00 H new ATOM 0 HB2 GLU A 16 50.742 3.280 4.054 1.00 0.00 H new ATOM 0 HB3 GLU A 16 50.473 3.508 5.771 1.00 0.00 H new ATOM 0 HG2 GLU A 16 51.824 5.583 5.756 1.00 0.00 H new ATOM 0 HG3 GLU A 16 52.260 5.328 4.078 1.00 0.00 H new ATOM 235 N GLU A 17 52.860 3.353 7.634 1.00 0.00 N ATOM 236 CA GLU A 17 53.552 3.989 8.792 1.00 0.00 C ATOM 237 C GLU A 17 55.066 3.796 8.674 1.00 0.00 C ATOM 238 O GLU A 17 55.840 4.680 8.985 1.00 0.00 O ATOM 239 CB GLU A 17 53.012 3.260 10.023 1.00 0.00 C ATOM 240 CG GLU A 17 51.517 3.546 10.171 1.00 0.00 C ATOM 241 CD GLU A 17 51.320 4.929 10.795 1.00 0.00 C ATOM 242 OE1 GLU A 17 51.396 5.903 10.065 1.00 0.00 O ATOM 243 OE2 GLU A 17 51.097 4.989 11.994 1.00 0.00 O ATOM 0 H GLU A 17 52.098 2.720 7.877 1.00 0.00 H new ATOM 0 HA GLU A 17 53.373 5.063 8.843 1.00 0.00 H new ATOM 0 HB2 GLU A 17 53.180 2.187 9.926 1.00 0.00 H new ATOM 0 HB3 GLU A 17 53.546 3.587 10.915 1.00 0.00 H new ATOM 0 HG2 GLU A 17 51.030 3.502 9.197 1.00 0.00 H new ATOM 0 HG3 GLU A 17 51.050 2.784 10.795 1.00 0.00 H new ATOM 250 N MET A 18 55.494 2.649 8.225 1.00 0.00 N ATOM 251 CA MET A 18 56.958 2.403 8.086 1.00 0.00 C ATOM 252 C MET A 18 57.521 3.226 6.925 1.00 0.00 C ATOM 253 O MET A 18 58.462 3.978 7.083 1.00 0.00 O ATOM 254 CB MET A 18 57.086 0.908 7.794 1.00 0.00 C ATOM 255 CG MET A 18 58.500 0.440 8.142 1.00 0.00 C ATOM 256 SD MET A 18 58.445 -0.620 9.608 1.00 0.00 S ATOM 257 CE MET A 18 57.765 0.608 10.751 1.00 0.00 C ATOM 0 H MET A 18 54.895 1.871 7.948 1.00 0.00 H new ATOM 0 HA MET A 18 57.512 2.690 8.980 1.00 0.00 H new ATOM 0 HB2 MET A 18 56.353 0.349 8.375 1.00 0.00 H new ATOM 0 HB3 MET A 18 56.875 0.713 6.743 1.00 0.00 H new ATOM 0 HG2 MET A 18 58.930 -0.106 7.302 1.00 0.00 H new ATOM 0 HG3 MET A 18 59.144 1.300 8.327 1.00 0.00 H new ATOM 0 HE1 MET A 18 57.778 0.208 11.765 1.00 0.00 H new ATOM 0 HE2 MET A 18 58.368 1.515 10.711 1.00 0.00 H new ATOM 0 HE3 MET A 18 56.739 0.841 10.466 1.00 0.00 H new ATOM 267 N ILE A 19 56.950 3.093 5.758 1.00 0.00 N ATOM 268 CA ILE A 19 57.454 3.874 4.593 1.00 0.00 C ATOM 269 C ILE A 19 57.727 5.319 5.012 1.00 0.00 C ATOM 270 O ILE A 19 58.692 5.928 4.591 1.00 0.00 O ATOM 271 CB ILE A 19 56.329 3.817 3.561 1.00 0.00 C ATOM 272 CG1 ILE A 19 56.161 2.378 3.067 1.00 0.00 C ATOM 273 CG2 ILE A 19 56.675 4.724 2.378 1.00 0.00 C ATOM 274 CD1 ILE A 19 55.105 2.338 1.961 1.00 0.00 C ATOM 0 H ILE A 19 56.159 2.479 5.562 1.00 0.00 H new ATOM 0 HA ILE A 19 58.388 3.474 4.197 1.00 0.00 H new ATOM 0 HB ILE A 19 55.399 4.155 4.019 1.00 0.00 H new ATOM 0 HG12 ILE A 19 57.111 1.998 2.691 1.00 0.00 H new ATOM 0 HG13 ILE A 19 55.863 1.731 3.892 1.00 0.00 H new ATOM 0 HG21 ILE A 19 55.872 4.683 1.642 1.00 0.00 H new ATOM 0 HG22 ILE A 19 56.795 5.749 2.728 1.00 0.00 H new ATOM 0 HG23 ILE A 19 57.605 4.386 1.920 1.00 0.00 H new ATOM 0 HD11 ILE A 19 54.985 1.313 1.609 1.00 0.00 H new ATOM 0 HD12 ILE A 19 54.154 2.701 2.352 1.00 0.00 H new ATOM 0 HD13 ILE A 19 55.422 2.971 1.132 1.00 0.00 H new ATOM 286 N ALA A 20 56.885 5.872 5.842 1.00 0.00 N ATOM 287 CA ALA A 20 57.095 7.277 6.294 1.00 0.00 C ATOM 288 C ALA A 20 58.252 7.338 7.296 1.00 0.00 C ATOM 289 O ALA A 20 58.889 8.358 7.463 1.00 0.00 O ATOM 290 CB ALA A 20 55.781 7.677 6.965 1.00 0.00 C ATOM 0 H ALA A 20 56.060 5.411 6.227 1.00 0.00 H new ATOM 0 HA ALA A 20 57.350 7.945 5.471 1.00 0.00 H new ATOM 0 HB1 ALA A 20 55.855 8.703 7.326 1.00 0.00 H new ATOM 0 HB2 ALA A 20 54.967 7.604 6.244 1.00 0.00 H new ATOM 0 HB3 ALA A 20 55.583 7.010 7.804 1.00 0.00 H new ATOM 296 N GLU A 21 58.527 6.249 7.962 1.00 0.00 N ATOM 297 CA GLU A 21 59.643 6.242 8.951 1.00 0.00 C ATOM 298 C GLU A 21 60.989 6.289 8.224 1.00 0.00 C ATOM 299 O GLU A 21 61.858 7.070 8.555 1.00 0.00 O ATOM 300 CB GLU A 21 59.490 4.925 9.712 1.00 0.00 C ATOM 301 CG GLU A 21 60.778 4.625 10.482 1.00 0.00 C ATOM 302 CD GLU A 21 60.433 3.949 11.810 1.00 0.00 C ATOM 303 OE1 GLU A 21 59.287 4.041 12.219 1.00 0.00 O ATOM 304 OE2 GLU A 21 61.320 3.351 12.396 1.00 0.00 O ATOM 0 H GLU A 21 58.028 5.365 7.864 1.00 0.00 H new ATOM 0 HA GLU A 21 59.611 7.103 9.619 1.00 0.00 H new ATOM 0 HB2 GLU A 21 58.648 4.987 10.402 1.00 0.00 H new ATOM 0 HB3 GLU A 21 59.273 4.114 9.016 1.00 0.00 H new ATOM 0 HG2 GLU A 21 61.426 3.978 9.890 1.00 0.00 H new ATOM 0 HG3 GLU A 21 61.329 5.548 10.664 1.00 0.00 H new ATOM 311 N PHE A 22 61.167 5.458 7.233 1.00 0.00 N ATOM 312 CA PHE A 22 62.455 5.455 6.484 1.00 0.00 C ATOM 313 C PHE A 22 62.546 6.690 5.583 1.00 0.00 C ATOM 314 O PHE A 22 63.607 7.051 5.116 1.00 0.00 O ATOM 315 CB PHE A 22 62.420 4.177 5.643 1.00 0.00 C ATOM 316 CG PHE A 22 62.203 2.975 6.538 1.00 0.00 C ATOM 317 CD1 PHE A 22 62.421 3.072 7.919 1.00 0.00 C ATOM 318 CD2 PHE A 22 61.783 1.760 5.983 1.00 0.00 C ATOM 319 CE1 PHE A 22 62.219 1.957 8.741 1.00 0.00 C ATOM 320 CE2 PHE A 22 61.581 0.645 6.806 1.00 0.00 C ATOM 321 CZ PHE A 22 61.800 0.744 8.184 1.00 0.00 C ATOM 0 H PHE A 22 60.476 4.781 6.910 1.00 0.00 H new ATOM 0 HA PHE A 22 63.320 5.483 7.147 1.00 0.00 H new ATOM 0 HB2 PHE A 22 61.621 4.240 4.904 1.00 0.00 H new ATOM 0 HB3 PHE A 22 63.355 4.068 5.093 1.00 0.00 H new ATOM 0 HD1 PHE A 22 62.745 4.008 8.350 1.00 0.00 H new ATOM 0 HD2 PHE A 22 61.615 1.683 4.919 1.00 0.00 H new ATOM 0 HE1 PHE A 22 62.387 2.033 9.805 1.00 0.00 H new ATOM 0 HE2 PHE A 22 61.256 -0.291 6.377 1.00 0.00 H new ATOM 0 HZ PHE A 22 61.646 -0.116 8.818 1.00 0.00 H new ATOM 331 N LYS A 23 61.440 7.339 5.337 1.00 0.00 N ATOM 332 CA LYS A 23 61.467 8.551 4.468 1.00 0.00 C ATOM 333 C LYS A 23 62.340 9.636 5.102 1.00 0.00 C ATOM 334 O LYS A 23 63.344 10.040 4.550 1.00 0.00 O ATOM 335 CB LYS A 23 60.011 9.013 4.387 1.00 0.00 C ATOM 336 CG LYS A 23 59.837 9.940 3.183 1.00 0.00 C ATOM 337 CD LYS A 23 60.142 9.171 1.897 1.00 0.00 C ATOM 338 CE LYS A 23 59.065 9.470 0.853 1.00 0.00 C ATOM 339 NZ LYS A 23 57.835 8.807 1.370 1.00 0.00 N ATOM 0 H LYS A 23 60.521 7.083 5.699 1.00 0.00 H new ATOM 0 HA LYS A 23 61.884 8.344 3.482 1.00 0.00 H new ATOM 0 HB2 LYS A 23 59.349 8.152 4.295 1.00 0.00 H new ATOM 0 HB3 LYS A 23 59.732 9.533 5.303 1.00 0.00 H new ATOM 0 HG2 LYS A 23 58.819 10.328 3.154 1.00 0.00 H new ATOM 0 HG3 LYS A 23 60.503 10.798 3.272 1.00 0.00 H new ATOM 0 HD2 LYS A 23 61.122 9.456 1.515 1.00 0.00 H new ATOM 0 HD3 LYS A 23 60.178 8.101 2.101 1.00 0.00 H new ATOM 0 HE2 LYS A 23 58.916 10.543 0.736 1.00 0.00 H new ATOM 0 HE3 LYS A 23 59.344 9.078 -0.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 57.347 8.324 0.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 58.095 8.112 2.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 57.203 9.522 1.783 1.00 0.00 H new ATOM 353 N ALA A 24 61.964 10.112 6.257 1.00 0.00 N ATOM 354 CA ALA A 24 62.772 11.173 6.926 1.00 0.00 C ATOM 355 C ALA A 24 64.183 10.657 7.226 1.00 0.00 C ATOM 356 O ALA A 24 65.137 11.409 7.251 1.00 0.00 O ATOM 357 CB ALA A 24 62.024 11.480 8.224 1.00 0.00 C ATOM 0 H ALA A 24 61.133 9.813 6.767 1.00 0.00 H new ATOM 0 HA ALA A 24 62.887 12.059 6.302 1.00 0.00 H new ATOM 0 HB1 ALA A 24 62.557 12.254 8.776 1.00 0.00 H new ATOM 0 HB2 ALA A 24 61.018 11.828 7.991 1.00 0.00 H new ATOM 0 HB3 ALA A 24 61.964 10.577 8.832 1.00 0.00 H new ATOM 363 N ALA A 25 64.323 9.380 7.457 1.00 0.00 N ATOM 364 CA ALA A 25 65.672 8.819 7.756 1.00 0.00 C ATOM 365 C ALA A 25 66.439 8.562 6.456 1.00 0.00 C ATOM 366 O ALA A 25 67.644 8.708 6.396 1.00 0.00 O ATOM 367 CB ALA A 25 65.403 7.505 8.490 1.00 0.00 C ATOM 0 H ALA A 25 63.562 8.701 7.452 1.00 0.00 H new ATOM 0 HA ALA A 25 66.279 9.501 8.352 1.00 0.00 H new ATOM 0 HB1 ALA A 25 66.350 7.030 8.745 1.00 0.00 H new ATOM 0 HB2 ALA A 25 64.841 7.706 9.402 1.00 0.00 H new ATOM 0 HB3 ALA A 25 64.826 6.841 7.847 1.00 0.00 H new ATOM 373 N PHE A 26 65.751 8.178 5.416 1.00 0.00 N ATOM 374 CA PHE A 26 66.442 7.910 4.122 1.00 0.00 C ATOM 375 C PHE A 26 67.035 9.207 3.561 1.00 0.00 C ATOM 376 O PHE A 26 68.096 9.211 2.969 1.00 0.00 O ATOM 377 CB PHE A 26 65.349 7.375 3.196 1.00 0.00 C ATOM 378 CG PHE A 26 65.897 7.234 1.795 1.00 0.00 C ATOM 379 CD1 PHE A 26 65.844 8.317 0.910 1.00 0.00 C ATOM 380 CD2 PHE A 26 66.456 6.019 1.381 1.00 0.00 C ATOM 381 CE1 PHE A 26 66.350 8.186 -0.389 1.00 0.00 C ATOM 382 CE2 PHE A 26 66.962 5.887 0.082 1.00 0.00 C ATOM 383 CZ PHE A 26 66.909 6.971 -0.802 1.00 0.00 C ATOM 0 H PHE A 26 64.741 8.038 5.406 1.00 0.00 H new ATOM 0 HA PHE A 26 67.267 7.205 4.230 1.00 0.00 H new ATOM 0 HB2 PHE A 26 64.992 6.410 3.557 1.00 0.00 H new ATOM 0 HB3 PHE A 26 64.494 8.051 3.197 1.00 0.00 H new ATOM 0 HD1 PHE A 26 65.413 9.254 1.229 1.00 0.00 H new ATOM 0 HD2 PHE A 26 66.497 5.183 2.064 1.00 0.00 H new ATOM 0 HE1 PHE A 26 66.309 9.022 -1.072 1.00 0.00 H new ATOM 0 HE2 PHE A 26 67.393 4.950 -0.238 1.00 0.00 H new ATOM 0 HZ PHE A 26 67.300 6.870 -1.804 1.00 0.00 H new ATOM 393 N ASP A 27 66.358 10.308 3.744 1.00 0.00 N ATOM 394 CA ASP A 27 66.883 11.604 3.224 1.00 0.00 C ATOM 395 C ASP A 27 68.104 12.048 4.035 1.00 0.00 C ATOM 396 O ASP A 27 68.725 13.051 3.743 1.00 0.00 O ATOM 397 CB ASP A 27 65.733 12.596 3.401 1.00 0.00 C ATOM 398 CG ASP A 27 65.418 13.259 2.059 1.00 0.00 C ATOM 399 OD1 ASP A 27 64.896 12.578 1.192 1.00 0.00 O ATOM 400 OD2 ASP A 27 65.705 14.436 1.920 1.00 0.00 O ATOM 0 H ASP A 27 65.464 10.367 4.231 1.00 0.00 H new ATOM 0 HA ASP A 27 67.204 11.531 2.185 1.00 0.00 H new ATOM 0 HB2 ASP A 27 64.850 12.081 3.780 1.00 0.00 H new ATOM 0 HB3 ASP A 27 66.002 13.353 4.138 1.00 0.00 H new ATOM 405 N MET A 28 68.451 11.310 5.055 1.00 0.00 N ATOM 406 CA MET A 28 69.630 11.691 5.885 1.00 0.00 C ATOM 407 C MET A 28 70.879 11.831 5.009 1.00 0.00 C ATOM 408 O MET A 28 71.868 12.408 5.413 1.00 0.00 O ATOM 409 CB MET A 28 69.803 10.539 6.876 1.00 0.00 C ATOM 410 CG MET A 28 68.687 10.593 7.920 1.00 0.00 C ATOM 411 SD MET A 28 69.103 11.820 9.183 1.00 0.00 S ATOM 412 CE MET A 28 67.450 11.975 9.901 1.00 0.00 C ATOM 0 H MET A 28 67.969 10.460 5.349 1.00 0.00 H new ATOM 0 HA MET A 28 69.486 12.648 6.386 1.00 0.00 H new ATOM 0 HB2 MET A 28 69.777 9.585 6.349 1.00 0.00 H new ATOM 0 HB3 MET A 28 70.775 10.608 7.364 1.00 0.00 H new ATOM 0 HG2 MET A 28 67.741 10.851 7.444 1.00 0.00 H new ATOM 0 HG3 MET A 28 68.556 9.613 8.379 1.00 0.00 H new ATOM 0 HE1 MET A 28 67.474 12.697 10.717 1.00 0.00 H new ATOM 0 HE2 MET A 28 66.751 12.314 9.136 1.00 0.00 H new ATOM 0 HE3 MET A 28 67.127 11.007 10.283 1.00 0.00 H new ATOM 422 N PHE A 29 70.844 11.304 3.816 1.00 0.00 N ATOM 423 CA PHE A 29 72.038 11.404 2.923 1.00 0.00 C ATOM 424 C PHE A 29 71.640 12.004 1.572 1.00 0.00 C ATOM 425 O PHE A 29 72.356 11.887 0.596 1.00 0.00 O ATOM 426 CB PHE A 29 72.539 9.965 2.741 1.00 0.00 C ATOM 427 CG PHE A 29 72.316 9.173 4.011 1.00 0.00 C ATOM 428 CD1 PHE A 29 71.100 8.508 4.212 1.00 0.00 C ATOM 429 CD2 PHE A 29 73.318 9.111 4.985 1.00 0.00 C ATOM 430 CE1 PHE A 29 70.886 7.781 5.388 1.00 0.00 C ATOM 431 CE2 PHE A 29 73.104 8.385 6.163 1.00 0.00 C ATOM 432 CZ PHE A 29 71.887 7.719 6.363 1.00 0.00 C ATOM 0 H PHE A 29 70.044 10.810 3.420 1.00 0.00 H new ATOM 0 HA PHE A 29 72.808 12.048 3.347 1.00 0.00 H new ATOM 0 HB2 PHE A 29 72.015 9.491 1.911 1.00 0.00 H new ATOM 0 HB3 PHE A 29 73.599 9.970 2.487 1.00 0.00 H new ATOM 0 HD1 PHE A 29 70.327 8.556 3.459 1.00 0.00 H new ATOM 0 HD2 PHE A 29 74.256 9.623 4.829 1.00 0.00 H new ATOM 0 HE1 PHE A 29 69.948 7.268 5.543 1.00 0.00 H new ATOM 0 HE2 PHE A 29 73.876 8.338 6.917 1.00 0.00 H new ATOM 0 HZ PHE A 29 71.722 7.157 7.271 1.00 0.00 H new ATOM 442 N ASP A 30 70.506 12.643 1.504 1.00 0.00 N ATOM 443 CA ASP A 30 70.067 13.247 0.213 1.00 0.00 C ATOM 444 C ASP A 30 70.766 14.591 -0.008 1.00 0.00 C ATOM 445 O ASP A 30 70.177 15.643 0.150 1.00 0.00 O ATOM 446 CB ASP A 30 68.557 13.444 0.362 1.00 0.00 C ATOM 447 CG ASP A 30 67.829 12.643 -0.719 1.00 0.00 C ATOM 448 OD1 ASP A 30 68.100 12.876 -1.886 1.00 0.00 O ATOM 449 OD2 ASP A 30 67.015 11.808 -0.362 1.00 0.00 O ATOM 0 H ASP A 30 69.864 12.774 2.285 1.00 0.00 H new ATOM 0 HA ASP A 30 70.314 12.618 -0.643 1.00 0.00 H new ATOM 0 HB2 ASP A 30 68.233 13.119 1.351 1.00 0.00 H new ATOM 0 HB3 ASP A 30 68.307 14.502 0.276 1.00 0.00 H new ATOM 490 N GLY A 35 65.431 12.078 -3.577 1.00 0.00 N ATOM 491 CA GLY A 35 64.868 10.771 -3.136 1.00 0.00 C ATOM 492 C GLY A 35 65.923 9.678 -3.304 1.00 0.00 C ATOM 493 O GLY A 35 65.614 8.503 -3.337 1.00 0.00 O ATOM 0 HA2 GLY A 35 64.554 10.831 -2.094 1.00 0.00 H new ATOM 0 HA3 GLY A 35 63.982 10.529 -3.722 1.00 0.00 H new ATOM 497 N ASP A 36 67.167 10.053 -3.413 1.00 0.00 N ATOM 498 CA ASP A 36 68.242 9.035 -3.581 1.00 0.00 C ATOM 499 C ASP A 36 69.548 9.533 -2.955 1.00 0.00 C ATOM 500 O ASP A 36 69.820 10.717 -2.923 1.00 0.00 O ATOM 501 CB ASP A 36 68.401 8.872 -5.093 1.00 0.00 C ATOM 502 CG ASP A 36 68.697 10.235 -5.722 1.00 0.00 C ATOM 503 OD1 ASP A 36 68.736 11.209 -4.990 1.00 0.00 O ATOM 504 OD2 ASP A 36 68.879 10.281 -6.928 1.00 0.00 O ATOM 0 H ASP A 36 67.486 11.022 -3.393 1.00 0.00 H new ATOM 0 HA ASP A 36 67.996 8.092 -3.092 1.00 0.00 H new ATOM 0 HB2 ASP A 36 69.210 8.175 -5.312 1.00 0.00 H new ATOM 0 HB3 ASP A 36 67.492 8.451 -5.522 1.00 0.00 H new ATOM 509 N ILE A 37 70.359 8.638 -2.461 1.00 0.00 N ATOM 510 CA ILE A 37 71.648 9.061 -1.841 1.00 0.00 C ATOM 511 C ILE A 37 72.822 8.427 -2.590 1.00 0.00 C ATOM 512 O ILE A 37 72.642 7.587 -3.449 1.00 0.00 O ATOM 513 CB ILE A 37 71.586 8.545 -0.403 1.00 0.00 C ATOM 514 CG1 ILE A 37 71.491 7.018 -0.414 1.00 0.00 C ATOM 515 CG2 ILE A 37 70.357 9.126 0.296 1.00 0.00 C ATOM 516 CD1 ILE A 37 71.375 6.504 1.022 1.00 0.00 C ATOM 0 H ILE A 37 70.186 7.633 -2.460 1.00 0.00 H new ATOM 0 HA ILE A 37 71.791 10.141 -1.878 1.00 0.00 H new ATOM 0 HB ILE A 37 72.486 8.851 0.131 1.00 0.00 H new ATOM 0 HG12 ILE A 37 70.626 6.701 -0.996 1.00 0.00 H new ATOM 0 HG13 ILE A 37 72.372 6.592 -0.894 1.00 0.00 H new ATOM 0 HG21 ILE A 37 70.313 8.758 1.321 1.00 0.00 H new ATOM 0 HG22 ILE A 37 70.423 10.214 0.304 1.00 0.00 H new ATOM 0 HG23 ILE A 37 69.457 8.821 -0.238 1.00 0.00 H new ATOM 0 HD11 ILE A 37 71.307 5.416 1.015 1.00 0.00 H new ATOM 0 HD12 ILE A 37 72.254 6.809 1.590 1.00 0.00 H new ATOM 0 HD13 ILE A 37 70.481 6.920 1.486 1.00 0.00 H new ATOM 528 N SER A 38 74.025 8.820 -2.270 1.00 0.00 N ATOM 529 CA SER A 38 75.205 8.233 -2.966 1.00 0.00 C ATOM 530 C SER A 38 75.183 6.709 -2.842 1.00 0.00 C ATOM 531 O SER A 38 74.921 6.167 -1.785 1.00 0.00 O ATOM 532 CB SER A 38 76.419 8.815 -2.242 1.00 0.00 C ATOM 533 OG SER A 38 77.487 8.972 -3.168 1.00 0.00 O ATOM 0 H SER A 38 74.241 9.519 -1.560 1.00 0.00 H new ATOM 0 HA SER A 38 75.217 8.464 -4.031 1.00 0.00 H new ATOM 0 HB2 SER A 38 76.165 9.777 -1.796 1.00 0.00 H new ATOM 0 HB3 SER A 38 76.722 8.156 -1.428 1.00 0.00 H new ATOM 0 HG SER A 38 78.267 9.347 -2.708 1.00 0.00 H new ATOM 539 N THR A 39 75.454 6.011 -3.911 1.00 0.00 N ATOM 540 CA THR A 39 75.444 4.521 -3.848 1.00 0.00 C ATOM 541 C THR A 39 76.376 4.038 -2.734 1.00 0.00 C ATOM 542 O THR A 39 76.209 2.964 -2.193 1.00 0.00 O ATOM 543 CB THR A 39 75.955 4.064 -5.214 1.00 0.00 C ATOM 544 OG1 THR A 39 77.055 4.875 -5.603 1.00 0.00 O ATOM 545 CG2 THR A 39 74.834 4.193 -6.247 1.00 0.00 C ATOM 0 H THR A 39 75.681 6.406 -4.823 1.00 0.00 H new ATOM 0 HA THR A 39 74.454 4.120 -3.631 1.00 0.00 H new ATOM 0 HB THR A 39 76.274 3.024 -5.154 1.00 0.00 H new ATOM 0 HG1 THR A 39 77.384 4.582 -6.478 1.00 0.00 H new ATOM 0 HG21 THR A 39 75.198 3.867 -7.221 1.00 0.00 H new ATOM 0 HG22 THR A 39 73.990 3.571 -5.948 1.00 0.00 H new ATOM 0 HG23 THR A 39 74.514 5.233 -6.308 1.00 0.00 H new ATOM 553 N LYS A 40 77.355 4.829 -2.388 1.00 0.00 N ATOM 554 CA LYS A 40 78.296 4.421 -1.308 1.00 0.00 C ATOM 555 C LYS A 40 77.648 4.636 0.063 1.00 0.00 C ATOM 556 O LYS A 40 78.183 4.250 1.083 1.00 0.00 O ATOM 557 CB LYS A 40 79.512 5.331 -1.481 1.00 0.00 C ATOM 558 CG LYS A 40 79.132 6.770 -1.122 1.00 0.00 C ATOM 559 CD LYS A 40 80.403 7.596 -0.916 1.00 0.00 C ATOM 560 CE LYS A 40 80.761 7.621 0.571 1.00 0.00 C ATOM 561 NZ LYS A 40 80.142 8.871 1.094 1.00 0.00 N ATOM 0 H LYS A 40 77.543 5.740 -2.807 1.00 0.00 H new ATOM 0 HA LYS A 40 78.567 3.367 -1.367 1.00 0.00 H new ATOM 0 HB2 LYS A 40 80.328 4.990 -0.844 1.00 0.00 H new ATOM 0 HB3 LYS A 40 79.870 5.285 -2.509 1.00 0.00 H new ATOM 0 HG2 LYS A 40 78.526 7.207 -1.916 1.00 0.00 H new ATOM 0 HG3 LYS A 40 78.526 6.782 -0.216 1.00 0.00 H new ATOM 0 HD2 LYS A 40 81.224 7.169 -1.491 1.00 0.00 H new ATOM 0 HD3 LYS A 40 80.252 8.612 -1.282 1.00 0.00 H new ATOM 0 HE2 LYS A 40 80.372 6.742 1.086 1.00 0.00 H new ATOM 0 HE3 LYS A 40 81.841 7.624 0.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 80.344 8.959 2.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 80.536 9.691 0.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 79.113 8.837 0.947 1.00 0.00 H new ATOM 575 N GLU A 41 76.496 5.251 0.092 1.00 0.00 N ATOM 576 CA GLU A 41 75.810 5.494 1.394 1.00 0.00 C ATOM 577 C GLU A 41 74.549 4.631 1.492 1.00 0.00 C ATOM 578 O GLU A 41 73.699 4.849 2.333 1.00 0.00 O ATOM 579 CB GLU A 41 75.444 6.979 1.374 1.00 0.00 C ATOM 580 CG GLU A 41 74.770 7.358 2.695 1.00 0.00 C ATOM 581 CD GLU A 41 75.655 8.350 3.451 1.00 0.00 C ATOM 582 OE1 GLU A 41 76.057 9.333 2.850 1.00 0.00 O ATOM 583 OE2 GLU A 41 75.913 8.112 4.619 1.00 0.00 O ATOM 0 H GLU A 41 76.000 5.596 -0.730 1.00 0.00 H new ATOM 0 HA GLU A 41 76.437 5.240 2.249 1.00 0.00 H new ATOM 0 HB2 GLU A 41 76.339 7.583 1.224 1.00 0.00 H new ATOM 0 HB3 GLU A 41 74.775 7.188 0.539 1.00 0.00 H new ATOM 0 HG2 GLU A 41 73.792 7.799 2.503 1.00 0.00 H new ATOM 0 HG3 GLU A 41 74.605 6.467 3.300 1.00 0.00 H new ATOM 590 N LEU A 42 74.421 3.654 0.636 1.00 0.00 N ATOM 591 CA LEU A 42 73.216 2.777 0.677 1.00 0.00 C ATOM 592 C LEU A 42 73.266 1.860 1.902 1.00 0.00 C ATOM 593 O LEU A 42 72.257 1.574 2.517 1.00 0.00 O ATOM 594 CB LEU A 42 73.282 1.958 -0.612 1.00 0.00 C ATOM 595 CG LEU A 42 72.048 1.062 -0.713 1.00 0.00 C ATOM 596 CD1 LEU A 42 70.923 1.819 -1.420 1.00 0.00 C ATOM 597 CD2 LEU A 42 72.397 -0.195 -1.515 1.00 0.00 C ATOM 0 H LEU A 42 75.099 3.425 -0.091 1.00 0.00 H new ATOM 0 HA LEU A 42 72.291 3.349 0.751 1.00 0.00 H new ATOM 0 HB2 LEU A 42 73.333 2.622 -1.475 1.00 0.00 H new ATOM 0 HB3 LEU A 42 74.187 1.351 -0.623 1.00 0.00 H new ATOM 0 HG LEU A 42 71.722 0.779 0.288 1.00 0.00 H new ATOM 0 HD11 LEU A 42 70.043 1.180 -1.492 1.00 0.00 H new ATOM 0 HD12 LEU A 42 70.675 2.715 -0.852 1.00 0.00 H new ATOM 0 HD13 LEU A 42 71.248 2.102 -2.421 1.00 0.00 H new ATOM 0 HD21 LEU A 42 71.518 -0.836 -1.588 1.00 0.00 H new ATOM 0 HD22 LEU A 42 72.722 0.090 -2.515 1.00 0.00 H new ATOM 0 HD23 LEU A 42 73.199 -0.736 -1.013 1.00 0.00 H new ATOM 609 N GLY A 43 74.430 1.395 2.263 1.00 0.00 N ATOM 610 CA GLY A 43 74.536 0.500 3.449 1.00 0.00 C ATOM 611 C GLY A 43 74.209 1.295 4.715 1.00 0.00 C ATOM 612 O GLY A 43 73.721 0.757 5.689 1.00 0.00 O ATOM 0 H GLY A 43 75.311 1.596 1.789 1.00 0.00 H new ATOM 0 HA2 GLY A 43 73.850 -0.341 3.347 1.00 0.00 H new ATOM 0 HA3 GLY A 43 75.541 0.085 3.516 1.00 0.00 H new ATOM 616 N THR A 44 74.476 2.572 4.708 1.00 0.00 N ATOM 617 CA THR A 44 74.182 3.403 5.910 1.00 0.00 C ATOM 618 C THR A 44 72.675 3.660 6.024 1.00 0.00 C ATOM 619 O THR A 44 72.046 3.303 7.001 1.00 0.00 O ATOM 620 CB THR A 44 74.931 4.717 5.676 1.00 0.00 C ATOM 621 OG1 THR A 44 76.320 4.515 5.903 1.00 0.00 O ATOM 622 CG2 THR A 44 74.405 5.787 6.635 1.00 0.00 C ATOM 0 H THR A 44 74.885 3.076 3.922 1.00 0.00 H new ATOM 0 HA THR A 44 74.491 2.914 6.834 1.00 0.00 H new ATOM 0 HB THR A 44 74.774 5.046 4.649 1.00 0.00 H new ATOM 0 HG1 THR A 44 76.802 5.355 5.752 1.00 0.00 H new ATOM 0 HG21 THR A 44 74.940 6.722 6.466 1.00 0.00 H new ATOM 0 HG22 THR A 44 73.340 5.941 6.459 1.00 0.00 H new ATOM 0 HG23 THR A 44 74.559 5.461 7.664 1.00 0.00 H new ATOM 630 N VAL A 45 72.095 4.281 5.034 1.00 0.00 N ATOM 631 CA VAL A 45 70.631 4.569 5.085 1.00 0.00 C ATOM 632 C VAL A 45 69.853 3.338 5.563 1.00 0.00 C ATOM 633 O VAL A 45 68.928 3.445 6.342 1.00 0.00 O ATOM 634 CB VAL A 45 70.248 4.925 3.647 1.00 0.00 C ATOM 635 CG1 VAL A 45 70.594 3.759 2.719 1.00 0.00 C ATOM 636 CG2 VAL A 45 68.745 5.204 3.575 1.00 0.00 C ATOM 0 H VAL A 45 72.571 4.602 4.191 1.00 0.00 H new ATOM 0 HA VAL A 45 70.396 5.373 5.782 1.00 0.00 H new ATOM 0 HB VAL A 45 70.800 5.812 3.335 1.00 0.00 H new ATOM 0 HG11 VAL A 45 70.320 4.015 1.695 1.00 0.00 H new ATOM 0 HG12 VAL A 45 71.664 3.559 2.769 1.00 0.00 H new ATOM 0 HG13 VAL A 45 70.044 2.871 3.030 1.00 0.00 H new ATOM 0 HG21 VAL A 45 68.471 5.458 2.551 1.00 0.00 H new ATOM 0 HG22 VAL A 45 68.195 4.317 3.889 1.00 0.00 H new ATOM 0 HG23 VAL A 45 68.497 6.036 4.234 1.00 0.00 H new ATOM 646 N MET A 46 70.214 2.171 5.101 1.00 0.00 N ATOM 647 CA MET A 46 69.483 0.943 5.532 1.00 0.00 C ATOM 648 C MET A 46 69.971 0.479 6.909 1.00 0.00 C ATOM 649 O MET A 46 69.189 0.101 7.758 1.00 0.00 O ATOM 650 CB MET A 46 69.803 -0.107 4.467 1.00 0.00 C ATOM 651 CG MET A 46 71.280 -0.497 4.558 1.00 0.00 C ATOM 652 SD MET A 46 71.693 -1.608 3.190 1.00 0.00 S ATOM 653 CE MET A 46 70.484 -2.899 3.570 1.00 0.00 C ATOM 0 H MET A 46 70.980 2.014 4.446 1.00 0.00 H new ATOM 0 HA MET A 46 68.411 1.118 5.623 1.00 0.00 H new ATOM 0 HB2 MET A 46 69.175 -0.986 4.609 1.00 0.00 H new ATOM 0 HB3 MET A 46 69.581 0.287 3.475 1.00 0.00 H new ATOM 0 HG2 MET A 46 71.906 0.394 4.519 1.00 0.00 H new ATOM 0 HG3 MET A 46 71.481 -0.986 5.511 1.00 0.00 H new ATOM 0 HE1 MET A 46 70.691 -3.781 2.964 1.00 0.00 H new ATOM 0 HE2 MET A 46 70.551 -3.160 4.626 1.00 0.00 H new ATOM 0 HE3 MET A 46 69.481 -2.534 3.349 1.00 0.00 H new ATOM 663 N ARG A 47 71.256 0.497 7.133 1.00 0.00 N ATOM 664 CA ARG A 47 71.789 0.047 8.453 1.00 0.00 C ATOM 665 C ARG A 47 71.554 1.119 9.522 1.00 0.00 C ATOM 666 O ARG A 47 71.576 0.843 10.705 1.00 0.00 O ATOM 667 CB ARG A 47 73.287 -0.159 8.225 1.00 0.00 C ATOM 668 CG ARG A 47 73.871 -0.977 9.378 1.00 0.00 C ATOM 669 CD ARG A 47 74.480 -0.033 10.416 1.00 0.00 C ATOM 670 NE ARG A 47 75.535 0.718 9.681 1.00 0.00 N ATOM 671 CZ ARG A 47 76.241 1.625 10.298 1.00 0.00 C ATOM 672 NH1 ARG A 47 75.699 2.341 11.246 1.00 0.00 N ATOM 673 NH2 ARG A 47 77.489 1.816 9.969 1.00 0.00 N ATOM 0 H ARG A 47 71.960 0.803 6.461 1.00 0.00 H new ATOM 0 HA ARG A 47 71.298 -0.860 8.804 1.00 0.00 H new ATOM 0 HB2 ARG A 47 73.454 -0.674 7.279 1.00 0.00 H new ATOM 0 HB3 ARG A 47 73.791 0.805 8.157 1.00 0.00 H new ATOM 0 HG2 ARG A 47 73.092 -1.586 9.837 1.00 0.00 H new ATOM 0 HG3 ARG A 47 74.632 -1.662 9.003 1.00 0.00 H new ATOM 0 HD2 ARG A 47 73.728 0.641 10.826 1.00 0.00 H new ATOM 0 HD3 ARG A 47 74.902 -0.587 11.255 1.00 0.00 H new ATOM 0 HE ARG A 47 75.706 0.523 8.694 1.00 0.00 H new ATOM 0 HH11 ARG A 47 74.724 2.191 11.504 1.00 0.00 H new ATOM 0 HH12 ARG A 47 76.251 3.050 11.728 1.00 0.00 H new ATOM 0 HH21 ARG A 47 77.913 1.256 9.229 1.00 0.00 H new ATOM 0 HH22 ARG A 47 78.041 2.525 10.452 1.00 0.00 H new ATOM 687 N MET A 48 71.331 2.338 9.117 1.00 0.00 N ATOM 688 CA MET A 48 71.097 3.423 10.114 1.00 0.00 C ATOM 689 C MET A 48 69.673 3.341 10.668 1.00 0.00 C ATOM 690 O MET A 48 69.310 4.052 11.583 1.00 0.00 O ATOM 691 CB MET A 48 71.297 4.726 9.338 1.00 0.00 C ATOM 692 CG MET A 48 71.220 5.911 10.303 1.00 0.00 C ATOM 693 SD MET A 48 69.624 6.742 10.114 1.00 0.00 S ATOM 694 CE MET A 48 69.324 7.060 11.870 1.00 0.00 C ATOM 0 H MET A 48 71.300 2.631 8.140 1.00 0.00 H new ATOM 0 HA MET A 48 71.771 3.349 10.967 1.00 0.00 H new ATOM 0 HB2 MET A 48 72.263 4.717 8.833 1.00 0.00 H new ATOM 0 HB3 MET A 48 70.534 4.822 8.565 1.00 0.00 H new ATOM 0 HG2 MET A 48 71.343 5.566 11.330 1.00 0.00 H new ATOM 0 HG3 MET A 48 72.032 6.610 10.102 1.00 0.00 H new ATOM 0 HE1 MET A 48 68.531 6.404 12.228 1.00 0.00 H new ATOM 0 HE2 MET A 48 70.236 6.869 12.435 1.00 0.00 H new ATOM 0 HE3 MET A 48 69.024 8.099 12.006 1.00 0.00 H new ATOM 704 N LEU A 49 68.860 2.481 10.117 1.00 0.00 N ATOM 705 CA LEU A 49 67.459 2.359 10.611 1.00 0.00 C ATOM 706 C LEU A 49 67.380 1.334 11.745 1.00 0.00 C ATOM 707 O LEU A 49 66.811 1.593 12.788 1.00 0.00 O ATOM 708 CB LEU A 49 66.653 1.889 9.401 1.00 0.00 C ATOM 709 CG LEU A 49 66.755 2.933 8.290 1.00 0.00 C ATOM 710 CD1 LEU A 49 66.091 2.397 7.022 1.00 0.00 C ATOM 711 CD2 LEU A 49 66.047 4.216 8.730 1.00 0.00 C ATOM 0 H LEU A 49 69.105 1.858 9.347 1.00 0.00 H new ATOM 0 HA LEU A 49 67.080 3.299 11.012 1.00 0.00 H new ATOM 0 HB2 LEU A 49 67.030 0.929 9.049 1.00 0.00 H new ATOM 0 HB3 LEU A 49 65.610 1.739 9.680 1.00 0.00 H new ATOM 0 HG LEU A 49 67.805 3.146 8.088 1.00 0.00 H new ATOM 0 HD11 LEU A 49 66.164 3.142 6.230 1.00 0.00 H new ATOM 0 HD12 LEU A 49 66.593 1.482 6.707 1.00 0.00 H new ATOM 0 HD13 LEU A 49 65.041 2.184 7.223 1.00 0.00 H new ATOM 0 HD21 LEU A 49 66.119 4.961 7.938 1.00 0.00 H new ATOM 0 HD22 LEU A 49 64.998 4.002 8.932 1.00 0.00 H new ATOM 0 HD23 LEU A 49 66.519 4.600 9.634 1.00 0.00 H new ATOM 723 N GLY A 50 67.946 0.173 11.557 1.00 0.00 N ATOM 724 CA GLY A 50 67.895 -0.854 12.637 1.00 0.00 C ATOM 725 C GLY A 50 68.176 -2.247 12.065 1.00 0.00 C ATOM 726 O GLY A 50 67.638 -3.233 12.526 1.00 0.00 O ATOM 0 H GLY A 50 68.438 -0.108 10.709 1.00 0.00 H new ATOM 0 HA2 GLY A 50 68.628 -0.616 13.408 1.00 0.00 H new ATOM 0 HA3 GLY A 50 66.915 -0.841 13.114 1.00 0.00 H new ATOM 730 N GLN A 51 69.021 -2.342 11.073 1.00 0.00 N ATOM 731 CA GLN A 51 69.333 -3.682 10.495 1.00 0.00 C ATOM 732 C GLN A 51 70.848 -3.902 10.473 1.00 0.00 C ATOM 733 O GLN A 51 71.592 -3.219 11.148 1.00 0.00 O ATOM 734 CB GLN A 51 68.778 -3.655 9.070 1.00 0.00 C ATOM 735 CG GLN A 51 67.397 -2.995 9.057 1.00 0.00 C ATOM 736 CD GLN A 51 66.545 -3.556 10.196 1.00 0.00 C ATOM 737 OE1 GLN A 51 66.570 -4.836 10.445 1.00 0.00 O flip ATOM 738 NE2 GLN A 51 65.848 -2.821 10.867 1.00 0.00 N flip ATOM 0 H GLN A 51 69.506 -1.556 10.640 1.00 0.00 H new ATOM 0 HA GLN A 51 68.895 -4.491 11.080 1.00 0.00 H new ATOM 0 HB2 GLN A 51 69.458 -3.108 8.417 1.00 0.00 H new ATOM 0 HB3 GLN A 51 68.708 -4.670 8.679 1.00 0.00 H new ATOM 0 HG2 GLN A 51 67.499 -1.915 9.164 1.00 0.00 H new ATOM 0 HG3 GLN A 51 66.906 -3.175 8.101 1.00 0.00 H new ATOM 0 HE21 GLN A 51 65.828 -1.820 10.673 1.00 0.00 H new ATOM 0 HE22 GLN A 51 65.283 -3.205 11.624 1.00 0.00 H new ATOM 747 N ASN A 52 71.310 -4.850 9.705 1.00 0.00 N ATOM 748 CA ASN A 52 72.777 -5.108 9.647 1.00 0.00 C ATOM 749 C ASN A 52 73.135 -5.881 8.374 1.00 0.00 C ATOM 750 O ASN A 52 73.291 -7.086 8.402 1.00 0.00 O ATOM 751 CB ASN A 52 73.078 -5.951 10.886 1.00 0.00 C ATOM 752 CG ASN A 52 74.564 -5.844 11.230 1.00 0.00 C ATOM 753 OD1 ASN A 52 75.407 -5.917 10.358 1.00 0.00 O ATOM 754 ND2 ASN A 52 74.924 -5.673 12.473 1.00 0.00 N ATOM 0 H ASN A 52 70.738 -5.456 9.117 1.00 0.00 H new ATOM 0 HA ASN A 52 73.356 -4.185 9.628 1.00 0.00 H new ATOM 0 HB2 ASN A 52 72.474 -5.609 11.727 1.00 0.00 H new ATOM 0 HB3 ASN A 52 72.810 -6.992 10.704 1.00 0.00 H new ATOM 0 HD21 ASN A 52 75.913 -5.601 12.712 1.00 0.00 H new ATOM 0 HD22 ASN A 52 74.216 -5.612 13.205 1.00 0.00 H new ATOM 761 N PRO A 53 73.254 -5.157 7.294 1.00 0.00 N ATOM 762 CA PRO A 53 73.601 -5.781 5.996 1.00 0.00 C ATOM 763 C PRO A 53 75.087 -6.149 5.966 1.00 0.00 C ATOM 764 O PRO A 53 75.946 -5.309 6.151 1.00 0.00 O ATOM 765 CB PRO A 53 73.293 -4.686 4.978 1.00 0.00 C ATOM 766 CG PRO A 53 73.404 -3.403 5.741 1.00 0.00 C ATOM 767 CD PRO A 53 73.080 -3.705 7.183 1.00 0.00 C ATOM 0 HA PRO A 53 73.053 -6.703 5.801 1.00 0.00 H new ATOM 0 HB2 PRO A 53 73.996 -4.712 4.146 1.00 0.00 H new ATOM 0 HB3 PRO A 53 72.295 -4.809 4.556 1.00 0.00 H new ATOM 0 HG2 PRO A 53 74.409 -2.989 5.652 1.00 0.00 H new ATOM 0 HG3 PRO A 53 72.716 -2.658 5.341 1.00 0.00 H new ATOM 0 HD2 PRO A 53 73.746 -3.171 7.861 1.00 0.00 H new ATOM 0 HD3 PRO A 53 72.062 -3.405 7.434 1.00 0.00 H new ATOM 775 N THR A 54 75.399 -7.396 5.738 1.00 0.00 N ATOM 776 CA THR A 54 76.831 -7.806 5.701 1.00 0.00 C ATOM 777 C THR A 54 77.576 -7.020 4.619 1.00 0.00 C ATOM 778 O THR A 54 77.066 -6.802 3.537 1.00 0.00 O ATOM 779 CB THR A 54 76.812 -9.297 5.364 1.00 0.00 C ATOM 780 OG1 THR A 54 76.184 -9.490 4.104 1.00 0.00 O ATOM 781 CG2 THR A 54 76.040 -10.056 6.444 1.00 0.00 C ATOM 0 H THR A 54 74.727 -8.146 5.576 1.00 0.00 H new ATOM 0 HA THR A 54 77.340 -7.611 6.645 1.00 0.00 H new ATOM 0 HB THR A 54 77.834 -9.672 5.320 1.00 0.00 H new ATOM 0 HG1 THR A 54 76.173 -10.446 3.887 1.00 0.00 H new ATOM 0 HG21 THR A 54 76.027 -11.119 6.203 1.00 0.00 H new ATOM 0 HG22 THR A 54 76.525 -9.909 7.409 1.00 0.00 H new ATOM 0 HG23 THR A 54 75.017 -9.682 6.491 1.00 0.00 H new ATOM 789 N LYS A 55 78.775 -6.592 4.900 1.00 0.00 N ATOM 790 CA LYS A 55 79.545 -5.821 3.883 1.00 0.00 C ATOM 791 C LYS A 55 79.446 -6.508 2.520 1.00 0.00 C ATOM 792 O LYS A 55 79.285 -5.866 1.501 1.00 0.00 O ATOM 793 CB LYS A 55 80.988 -5.829 4.385 1.00 0.00 C ATOM 794 CG LYS A 55 81.810 -4.815 3.589 1.00 0.00 C ATOM 795 CD LYS A 55 82.541 -3.877 4.553 1.00 0.00 C ATOM 796 CE LYS A 55 84.043 -4.169 4.509 1.00 0.00 C ATOM 797 NZ LYS A 55 84.666 -3.104 5.343 1.00 0.00 N ATOM 0 H LYS A 55 79.255 -6.742 5.788 1.00 0.00 H new ATOM 0 HA LYS A 55 79.166 -4.807 3.758 1.00 0.00 H new ATOM 0 HB2 LYS A 55 81.016 -5.583 5.447 1.00 0.00 H new ATOM 0 HB3 LYS A 55 81.416 -6.825 4.277 1.00 0.00 H new ATOM 0 HG2 LYS A 55 82.529 -5.333 2.954 1.00 0.00 H new ATOM 0 HG3 LYS A 55 81.159 -4.241 2.930 1.00 0.00 H new ATOM 0 HD2 LYS A 55 82.353 -2.839 4.279 1.00 0.00 H new ATOM 0 HD3 LYS A 55 82.163 -4.013 5.566 1.00 0.00 H new ATOM 0 HE2 LYS A 55 84.264 -5.160 4.904 1.00 0.00 H new ATOM 0 HE3 LYS A 55 84.421 -4.142 3.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 85.697 -3.236 5.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 84.444 -2.172 4.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 84.292 -3.159 6.312 1.00 0.00 H new ATOM 811 N GLU A 56 79.534 -7.810 2.493 1.00 0.00 N ATOM 812 CA GLU A 56 79.440 -8.537 1.196 1.00 0.00 C ATOM 813 C GLU A 56 78.098 -8.237 0.526 1.00 0.00 C ATOM 814 O GLU A 56 78.006 -8.112 -0.679 1.00 0.00 O ATOM 815 CB GLU A 56 79.536 -10.017 1.566 1.00 0.00 C ATOM 816 CG GLU A 56 80.646 -10.679 0.747 1.00 0.00 C ATOM 817 CD GLU A 56 81.248 -11.836 1.547 1.00 0.00 C ATOM 818 OE1 GLU A 56 82.129 -11.579 2.350 1.00 0.00 O ATOM 819 OE2 GLU A 56 80.817 -12.959 1.343 1.00 0.00 O ATOM 0 H GLU A 56 79.667 -8.401 3.313 1.00 0.00 H new ATOM 0 HA GLU A 56 80.221 -8.242 0.495 1.00 0.00 H new ATOM 0 HB2 GLU A 56 79.743 -10.123 2.631 1.00 0.00 H new ATOM 0 HB3 GLU A 56 78.584 -10.513 1.375 1.00 0.00 H new ATOM 0 HG2 GLU A 56 80.246 -11.046 -0.198 1.00 0.00 H new ATOM 0 HG3 GLU A 56 81.419 -9.949 0.505 1.00 0.00 H new ATOM 826 N GLU A 57 77.055 -8.116 1.301 1.00 0.00 N ATOM 827 CA GLU A 57 75.718 -7.822 0.713 1.00 0.00 C ATOM 828 C GLU A 57 75.710 -6.421 0.098 1.00 0.00 C ATOM 829 O GLU A 57 75.304 -6.231 -1.032 1.00 0.00 O ATOM 830 CB GLU A 57 74.744 -7.897 1.888 1.00 0.00 C ATOM 831 CG GLU A 57 73.957 -9.209 1.816 1.00 0.00 C ATOM 832 CD GLU A 57 72.473 -8.910 1.582 1.00 0.00 C ATOM 833 OE1 GLU A 57 72.142 -7.750 1.403 1.00 0.00 O ATOM 834 OE2 GLU A 57 71.694 -9.849 1.586 1.00 0.00 O ATOM 0 H GLU A 57 77.071 -8.208 2.317 1.00 0.00 H new ATOM 0 HA GLU A 57 75.452 -8.520 -0.081 1.00 0.00 H new ATOM 0 HB2 GLU A 57 75.289 -7.839 2.830 1.00 0.00 H new ATOM 0 HB3 GLU A 57 74.060 -7.048 1.862 1.00 0.00 H new ATOM 0 HG2 GLU A 57 74.344 -9.832 1.010 1.00 0.00 H new ATOM 0 HG3 GLU A 57 74.083 -9.771 2.741 1.00 0.00 H new ATOM 841 N LEU A 58 76.159 -5.437 0.828 1.00 0.00 N ATOM 842 CA LEU A 58 76.177 -4.052 0.279 1.00 0.00 C ATOM 843 C LEU A 58 76.956 -4.022 -1.038 1.00 0.00 C ATOM 844 O LEU A 58 76.451 -3.601 -2.060 1.00 0.00 O ATOM 845 CB LEU A 58 76.884 -3.207 1.341 1.00 0.00 C ATOM 846 CG LEU A 58 76.164 -3.357 2.683 1.00 0.00 C ATOM 847 CD1 LEU A 58 76.653 -2.276 3.649 1.00 0.00 C ATOM 848 CD2 LEU A 58 74.655 -3.205 2.474 1.00 0.00 C ATOM 0 H LEU A 58 76.514 -5.532 1.780 1.00 0.00 H new ATOM 0 HA LEU A 58 75.175 -3.678 0.068 1.00 0.00 H new ATOM 0 HB2 LEU A 58 77.923 -3.522 1.438 1.00 0.00 H new ATOM 0 HB3 LEU A 58 76.895 -2.160 1.038 1.00 0.00 H new ATOM 0 HG LEU A 58 76.377 -4.342 3.099 1.00 0.00 H new ATOM 0 HD11 LEU A 58 76.140 -2.383 4.605 1.00 0.00 H new ATOM 0 HD12 LEU A 58 77.727 -2.382 3.800 1.00 0.00 H new ATOM 0 HD13 LEU A 58 76.441 -1.292 3.231 1.00 0.00 H new ATOM 0 HD21 LEU A 58 74.143 -3.312 3.430 1.00 0.00 H new ATOM 0 HD22 LEU A 58 74.443 -2.221 2.057 1.00 0.00 H new ATOM 0 HD23 LEU A 58 74.304 -3.974 1.786 1.00 0.00 H new ATOM 860 N ASP A 59 78.182 -4.469 -1.024 1.00 0.00 N ATOM 861 CA ASP A 59 78.991 -4.469 -2.276 1.00 0.00 C ATOM 862 C ASP A 59 78.236 -5.201 -3.390 1.00 0.00 C ATOM 863 O ASP A 59 78.282 -4.815 -4.541 1.00 0.00 O ATOM 864 CB ASP A 59 80.276 -5.214 -1.918 1.00 0.00 C ATOM 865 CG ASP A 59 81.296 -4.229 -1.342 1.00 0.00 C ATOM 866 OD1 ASP A 59 80.873 -3.254 -0.741 1.00 0.00 O ATOM 867 OD2 ASP A 59 82.481 -4.465 -1.513 1.00 0.00 O ATOM 0 H ASP A 59 78.659 -4.834 -0.200 1.00 0.00 H new ATOM 0 HA ASP A 59 79.194 -3.461 -2.638 1.00 0.00 H new ATOM 0 HB2 ASP A 59 80.063 -5.999 -1.192 1.00 0.00 H new ATOM 0 HB3 ASP A 59 80.685 -5.701 -2.803 1.00 0.00 H new ATOM 872 N ALA A 60 77.541 -6.254 -3.055 1.00 0.00 N ATOM 873 CA ALA A 60 76.783 -7.008 -4.095 1.00 0.00 C ATOM 874 C ALA A 60 75.610 -6.166 -4.603 1.00 0.00 C ATOM 875 O ALA A 60 75.427 -5.990 -5.791 1.00 0.00 O ATOM 876 CB ALA A 60 76.275 -8.262 -3.384 1.00 0.00 C ATOM 0 H ALA A 60 77.465 -6.625 -2.108 1.00 0.00 H new ATOM 0 HA ALA A 60 77.398 -7.253 -4.961 1.00 0.00 H new ATOM 0 HB1 ALA A 60 75.705 -8.872 -4.085 1.00 0.00 H new ATOM 0 HB2 ALA A 60 77.122 -8.836 -3.009 1.00 0.00 H new ATOM 0 HB3 ALA A 60 75.635 -7.973 -2.550 1.00 0.00 H new ATOM 882 N ILE A 61 74.813 -5.642 -3.711 1.00 0.00 N ATOM 883 CA ILE A 61 73.654 -4.811 -4.143 1.00 0.00 C ATOM 884 C ILE A 61 74.147 -3.488 -4.734 1.00 0.00 C ATOM 885 O ILE A 61 73.701 -3.060 -5.781 1.00 0.00 O ATOM 886 CB ILE A 61 72.848 -4.563 -2.868 1.00 0.00 C ATOM 887 CG1 ILE A 61 72.310 -5.895 -2.340 1.00 0.00 C ATOM 888 CG2 ILE A 61 71.678 -3.629 -3.176 1.00 0.00 C ATOM 889 CD1 ILE A 61 72.644 -6.029 -0.853 1.00 0.00 C ATOM 0 H ILE A 61 74.915 -5.754 -2.702 1.00 0.00 H new ATOM 0 HA ILE A 61 73.057 -5.300 -4.913 1.00 0.00 H new ATOM 0 HB ILE A 61 73.490 -4.104 -2.116 1.00 0.00 H new ATOM 0 HG12 ILE A 61 71.231 -5.947 -2.487 1.00 0.00 H new ATOM 0 HG13 ILE A 61 72.748 -6.723 -2.898 1.00 0.00 H new ATOM 0 HG21 ILE A 61 71.104 -3.453 -2.266 1.00 0.00 H new ATOM 0 HG22 ILE A 61 72.059 -2.680 -3.554 1.00 0.00 H new ATOM 0 HG23 ILE A 61 71.035 -4.087 -3.928 1.00 0.00 H new ATOM 0 HD11 ILE A 61 72.260 -6.978 -0.478 1.00 0.00 H new ATOM 0 HD12 ILE A 61 73.725 -5.996 -0.719 1.00 0.00 H new ATOM 0 HD13 ILE A 61 72.185 -5.209 -0.302 1.00 0.00 H new ATOM 901 N ILE A 62 75.064 -2.836 -4.072 1.00 0.00 N ATOM 902 CA ILE A 62 75.586 -1.542 -4.596 1.00 0.00 C ATOM 903 C ILE A 62 75.914 -1.668 -6.086 1.00 0.00 C ATOM 904 O ILE A 62 75.293 -1.044 -6.922 1.00 0.00 O ATOM 905 CB ILE A 62 76.856 -1.272 -3.792 1.00 0.00 C ATOM 906 CG1 ILE A 62 76.479 -0.825 -2.379 1.00 0.00 C ATOM 907 CG2 ILE A 62 77.671 -0.172 -4.476 1.00 0.00 C ATOM 908 CD1 ILE A 62 77.743 -0.701 -1.526 1.00 0.00 C ATOM 0 H ILE A 62 75.474 -3.144 -3.190 1.00 0.00 H new ATOM 0 HA ILE A 62 74.860 -0.735 -4.497 1.00 0.00 H new ATOM 0 HB ILE A 62 77.452 -2.183 -3.738 1.00 0.00 H new ATOM 0 HG12 ILE A 62 75.958 0.132 -2.416 1.00 0.00 H new ATOM 0 HG13 ILE A 62 75.794 -1.544 -1.930 1.00 0.00 H new ATOM 0 HG21 ILE A 62 78.577 0.020 -3.901 1.00 0.00 H new ATOM 0 HG22 ILE A 62 77.940 -0.491 -5.483 1.00 0.00 H new ATOM 0 HG23 ILE A 62 77.077 0.740 -4.532 1.00 0.00 H new ATOM 0 HD11 ILE A 62 77.473 -0.382 -0.519 1.00 0.00 H new ATOM 0 HD12 ILE A 62 78.246 -1.667 -1.478 1.00 0.00 H new ATOM 0 HD13 ILE A 62 78.412 0.035 -1.972 1.00 0.00 H new ATOM 920 N GLU A 63 76.885 -2.470 -6.426 1.00 0.00 N ATOM 921 CA GLU A 63 77.248 -2.634 -7.862 1.00 0.00 C ATOM 922 C GLU A 63 75.990 -2.885 -8.699 1.00 0.00 C ATOM 923 O GLU A 63 75.843 -2.370 -9.789 1.00 0.00 O ATOM 924 CB GLU A 63 78.170 -3.852 -7.901 1.00 0.00 C ATOM 925 CG GLU A 63 78.401 -4.273 -9.354 1.00 0.00 C ATOM 926 CD GLU A 63 79.032 -5.666 -9.389 1.00 0.00 C ATOM 927 OE1 GLU A 63 79.414 -6.149 -8.335 1.00 0.00 O ATOM 928 OE2 GLU A 63 79.123 -6.226 -10.469 1.00 0.00 O ATOM 0 H GLU A 63 77.443 -3.019 -5.772 1.00 0.00 H new ATOM 0 HA GLU A 63 77.730 -1.746 -8.271 1.00 0.00 H new ATOM 0 HB2 GLU A 63 79.121 -3.616 -7.424 1.00 0.00 H new ATOM 0 HB3 GLU A 63 77.727 -4.674 -7.339 1.00 0.00 H new ATOM 0 HG2 GLU A 63 77.456 -4.277 -9.897 1.00 0.00 H new ATOM 0 HG3 GLU A 63 79.052 -3.555 -9.852 1.00 0.00 H new ATOM 935 N GLU A 64 75.081 -3.673 -8.193 1.00 0.00 N ATOM 936 CA GLU A 64 73.832 -3.959 -8.954 1.00 0.00 C ATOM 937 C GLU A 64 72.951 -2.707 -9.010 1.00 0.00 C ATOM 938 O GLU A 64 72.509 -2.293 -10.063 1.00 0.00 O ATOM 939 CB GLU A 64 73.139 -5.074 -8.162 1.00 0.00 C ATOM 940 CG GLU A 64 71.651 -5.119 -8.521 1.00 0.00 C ATOM 941 CD GLU A 64 71.052 -6.444 -8.046 1.00 0.00 C ATOM 942 OE1 GLU A 64 71.689 -7.465 -8.248 1.00 0.00 O ATOM 943 OE2 GLU A 64 69.967 -6.415 -7.489 1.00 0.00 O ATOM 0 H GLU A 64 75.150 -4.132 -7.284 1.00 0.00 H new ATOM 0 HA GLU A 64 74.029 -4.252 -9.985 1.00 0.00 H new ATOM 0 HB2 GLU A 64 73.605 -6.034 -8.384 1.00 0.00 H new ATOM 0 HB3 GLU A 64 73.259 -4.901 -7.092 1.00 0.00 H new ATOM 0 HG2 GLU A 64 71.128 -4.284 -8.055 1.00 0.00 H new ATOM 0 HG3 GLU A 64 71.523 -5.015 -9.598 1.00 0.00 H new ATOM 950 N VAL A 65 72.691 -2.106 -7.882 1.00 0.00 N ATOM 951 CA VAL A 65 71.835 -0.885 -7.867 1.00 0.00 C ATOM 952 C VAL A 65 72.657 0.349 -8.251 1.00 0.00 C ATOM 953 O VAL A 65 72.145 1.448 -8.323 1.00 0.00 O ATOM 954 CB VAL A 65 71.340 -0.776 -6.425 1.00 0.00 C ATOM 955 CG1 VAL A 65 70.783 -2.126 -5.971 1.00 0.00 C ATOM 956 CG2 VAL A 65 72.504 -0.375 -5.516 1.00 0.00 C ATOM 0 H VAL A 65 73.034 -2.407 -6.970 1.00 0.00 H new ATOM 0 HA VAL A 65 71.013 -0.946 -8.580 1.00 0.00 H new ATOM 0 HB VAL A 65 70.555 -0.022 -6.368 1.00 0.00 H new ATOM 0 HG11 VAL A 65 70.430 -2.047 -4.943 1.00 0.00 H new ATOM 0 HG12 VAL A 65 69.954 -2.414 -6.618 1.00 0.00 H new ATOM 0 HG13 VAL A 65 71.567 -2.881 -6.029 1.00 0.00 H new ATOM 0 HG21 VAL A 65 72.152 -0.297 -4.487 1.00 0.00 H new ATOM 0 HG22 VAL A 65 73.288 -1.130 -5.575 1.00 0.00 H new ATOM 0 HG23 VAL A 65 72.902 0.588 -5.837 1.00 0.00 H new ATOM 966 N ASP A 66 73.926 0.176 -8.497 1.00 0.00 N ATOM 967 CA ASP A 66 74.778 1.341 -8.874 1.00 0.00 C ATOM 968 C ASP A 66 74.366 1.875 -10.247 1.00 0.00 C ATOM 969 O ASP A 66 74.879 1.460 -11.267 1.00 0.00 O ATOM 970 CB ASP A 66 76.204 0.789 -8.921 1.00 0.00 C ATOM 971 CG ASP A 66 77.080 1.549 -7.923 1.00 0.00 C ATOM 972 OD1 ASP A 66 76.865 1.388 -6.734 1.00 0.00 O ATOM 973 OD2 ASP A 66 77.950 2.280 -8.368 1.00 0.00 O ATOM 0 H ASP A 66 74.411 -0.721 -8.454 1.00 0.00 H new ATOM 0 HA ASP A 66 74.682 2.167 -8.170 1.00 0.00 H new ATOM 0 HB2 ASP A 66 76.201 -0.275 -8.682 1.00 0.00 H new ATOM 0 HB3 ASP A 66 76.611 0.889 -9.927 1.00 0.00 H new ATOM 1030 N THR A 72 73.174 7.085 -7.706 1.00 0.00 N ATOM 1031 CA THR A 72 72.308 7.215 -6.499 1.00 0.00 C ATOM 1032 C THR A 72 71.242 6.117 -6.491 1.00 0.00 C ATOM 1033 O THR A 72 70.807 5.651 -7.525 1.00 0.00 O ATOM 1034 CB THR A 72 71.660 8.595 -6.625 1.00 0.00 C ATOM 1035 OG1 THR A 72 71.030 8.705 -7.894 1.00 0.00 O ATOM 1036 CG2 THR A 72 72.728 9.679 -6.487 1.00 0.00 C ATOM 0 HA THR A 72 72.872 7.113 -5.572 1.00 0.00 H new ATOM 0 HB THR A 72 70.917 8.721 -5.837 1.00 0.00 H new ATOM 0 HG1 THR A 72 70.221 9.252 -7.811 1.00 0.00 H new ATOM 0 HG21 THR A 72 72.264 10.661 -6.577 1.00 0.00 H new ATOM 0 HG22 THR A 72 73.210 9.593 -5.513 1.00 0.00 H new ATOM 0 HG23 THR A 72 73.474 9.557 -7.272 1.00 0.00 H new ATOM 1044 N ILE A 73 70.816 5.699 -5.329 1.00 0.00 N ATOM 1045 CA ILE A 73 69.779 4.630 -5.255 1.00 0.00 C ATOM 1046 C ILE A 73 68.381 5.254 -5.231 1.00 0.00 C ATOM 1047 O ILE A 73 68.184 6.340 -4.722 1.00 0.00 O ATOM 1048 CB ILE A 73 70.063 3.894 -3.946 1.00 0.00 C ATOM 1049 CG1 ILE A 73 69.081 2.730 -3.794 1.00 0.00 C ATOM 1050 CG2 ILE A 73 69.894 4.858 -2.770 1.00 0.00 C ATOM 1051 CD1 ILE A 73 69.500 1.585 -4.719 1.00 0.00 C ATOM 0 H ILE A 73 71.141 6.051 -4.429 1.00 0.00 H new ATOM 0 HA ILE A 73 69.812 3.959 -6.113 1.00 0.00 H new ATOM 0 HB ILE A 73 71.084 3.512 -3.958 1.00 0.00 H new ATOM 0 HG12 ILE A 73 69.063 2.388 -2.759 1.00 0.00 H new ATOM 0 HG13 ILE A 73 68.071 3.058 -4.039 1.00 0.00 H new ATOM 0 HG21 ILE A 73 70.097 4.333 -1.837 1.00 0.00 H new ATOM 0 HG22 ILE A 73 70.591 5.689 -2.877 1.00 0.00 H new ATOM 0 HG23 ILE A 73 68.873 5.240 -2.757 1.00 0.00 H new ATOM 0 HD11 ILE A 73 68.801 0.756 -4.611 1.00 0.00 H new ATOM 0 HD12 ILE A 73 69.495 1.932 -5.752 1.00 0.00 H new ATOM 0 HD13 ILE A 73 70.503 1.251 -4.453 1.00 0.00 H new ATOM 1063 N ASP A 74 67.409 4.575 -5.776 1.00 0.00 N ATOM 1064 CA ASP A 74 66.024 5.130 -5.785 1.00 0.00 C ATOM 1065 C ASP A 74 65.249 4.634 -4.560 1.00 0.00 C ATOM 1066 O ASP A 74 65.305 3.475 -4.206 1.00 0.00 O ATOM 1067 CB ASP A 74 65.393 4.595 -7.071 1.00 0.00 C ATOM 1068 CG ASP A 74 65.702 5.547 -8.227 1.00 0.00 C ATOM 1069 OD1 ASP A 74 65.094 6.603 -8.278 1.00 0.00 O ATOM 1070 OD2 ASP A 74 66.542 5.203 -9.042 1.00 0.00 O ATOM 0 H ASP A 74 67.513 3.660 -6.215 1.00 0.00 H new ATOM 0 HA ASP A 74 66.014 6.219 -5.748 1.00 0.00 H new ATOM 0 HB2 ASP A 74 65.780 3.600 -7.292 1.00 0.00 H new ATOM 0 HB3 ASP A 74 64.315 4.497 -6.946 1.00 0.00 H new ATOM 1075 N PHE A 75 64.527 5.506 -3.911 1.00 0.00 N ATOM 1076 CA PHE A 75 63.749 5.083 -2.710 1.00 0.00 C ATOM 1077 C PHE A 75 62.919 3.835 -3.024 1.00 0.00 C ATOM 1078 O PHE A 75 63.023 2.826 -2.355 1.00 0.00 O ATOM 1079 CB PHE A 75 62.837 6.268 -2.393 1.00 0.00 C ATOM 1080 CG PHE A 75 62.358 6.167 -0.964 1.00 0.00 C ATOM 1081 CD1 PHE A 75 61.372 5.234 -0.622 1.00 0.00 C ATOM 1082 CD2 PHE A 75 62.901 7.004 0.018 1.00 0.00 C ATOM 1083 CE1 PHE A 75 60.927 5.140 0.701 1.00 0.00 C ATOM 1084 CE2 PHE A 75 62.456 6.909 1.341 1.00 0.00 C ATOM 1085 CZ PHE A 75 61.469 5.977 1.684 1.00 0.00 C ATOM 0 H PHE A 75 64.442 6.492 -4.159 1.00 0.00 H new ATOM 0 HA PHE A 75 64.395 4.828 -1.870 1.00 0.00 H new ATOM 0 HB2 PHE A 75 63.375 7.204 -2.542 1.00 0.00 H new ATOM 0 HB3 PHE A 75 61.985 6.277 -3.073 1.00 0.00 H new ATOM 0 HD1 PHE A 75 60.955 4.587 -1.379 1.00 0.00 H new ATOM 0 HD2 PHE A 75 63.663 7.723 -0.246 1.00 0.00 H new ATOM 0 HE1 PHE A 75 60.165 4.421 0.964 1.00 0.00 H new ATOM 0 HE2 PHE A 75 62.874 7.555 2.099 1.00 0.00 H new ATOM 0 HZ PHE A 75 61.126 5.904 2.706 1.00 0.00 H new ATOM 1095 N GLU A 76 62.094 3.893 -4.035 1.00 0.00 N ATOM 1096 CA GLU A 76 61.258 2.708 -4.384 1.00 0.00 C ATOM 1097 C GLU A 76 62.141 1.470 -4.574 1.00 0.00 C ATOM 1098 O GLU A 76 61.773 0.372 -4.204 1.00 0.00 O ATOM 1099 CB GLU A 76 60.557 3.077 -5.695 1.00 0.00 C ATOM 1100 CG GLU A 76 61.546 3.754 -6.648 1.00 0.00 C ATOM 1101 CD GLU A 76 61.695 2.907 -7.914 1.00 0.00 C ATOM 1102 OE1 GLU A 76 60.687 2.647 -8.550 1.00 0.00 O ATOM 1103 OE2 GLU A 76 62.814 2.534 -8.225 1.00 0.00 O ATOM 0 H GLU A 76 61.963 4.708 -4.634 1.00 0.00 H new ATOM 0 HA GLU A 76 60.542 2.468 -3.598 1.00 0.00 H new ATOM 0 HB2 GLU A 76 60.146 2.182 -6.161 1.00 0.00 H new ATOM 0 HB3 GLU A 76 59.719 3.745 -5.493 1.00 0.00 H new ATOM 0 HG2 GLU A 76 61.194 4.753 -6.905 1.00 0.00 H new ATOM 0 HG3 GLU A 76 62.514 3.873 -6.161 1.00 0.00 H new ATOM 1110 N GLU A 77 63.301 1.637 -5.147 1.00 0.00 N ATOM 1111 CA GLU A 77 64.204 0.470 -5.357 1.00 0.00 C ATOM 1112 C GLU A 77 65.003 0.184 -4.083 1.00 0.00 C ATOM 1113 O GLU A 77 65.293 -0.951 -3.762 1.00 0.00 O ATOM 1114 CB GLU A 77 65.137 0.894 -6.492 1.00 0.00 C ATOM 1115 CG GLU A 77 66.122 -0.236 -6.793 1.00 0.00 C ATOM 1116 CD GLU A 77 66.984 0.144 -7.997 1.00 0.00 C ATOM 1117 OE1 GLU A 77 66.435 0.255 -9.082 1.00 0.00 O ATOM 1118 OE2 GLU A 77 68.178 0.317 -7.816 1.00 0.00 O ATOM 0 H GLU A 77 63.663 2.531 -5.479 1.00 0.00 H new ATOM 0 HA GLU A 77 63.655 -0.441 -5.598 1.00 0.00 H new ATOM 0 HB2 GLU A 77 64.557 1.132 -7.384 1.00 0.00 H new ATOM 0 HB3 GLU A 77 65.679 1.798 -6.213 1.00 0.00 H new ATOM 0 HG2 GLU A 77 66.754 -0.422 -5.925 1.00 0.00 H new ATOM 0 HG3 GLU A 77 65.580 -1.160 -6.997 1.00 0.00 H new ATOM 1125 N PHE A 78 65.359 1.206 -3.354 1.00 0.00 N ATOM 1126 CA PHE A 78 66.137 0.994 -2.100 1.00 0.00 C ATOM 1127 C PHE A 78 65.281 0.257 -1.065 1.00 0.00 C ATOM 1128 O PHE A 78 65.780 -0.518 -0.273 1.00 0.00 O ATOM 1129 CB PHE A 78 66.487 2.401 -1.610 1.00 0.00 C ATOM 1130 CG PHE A 78 66.921 2.345 -0.165 1.00 0.00 C ATOM 1131 CD1 PHE A 78 68.138 1.745 0.178 1.00 0.00 C ATOM 1132 CD2 PHE A 78 66.105 2.891 0.833 1.00 0.00 C ATOM 1133 CE1 PHE A 78 68.541 1.693 1.518 1.00 0.00 C ATOM 1134 CE2 PHE A 78 66.507 2.840 2.172 1.00 0.00 C ATOM 1135 CZ PHE A 78 67.725 2.240 2.515 1.00 0.00 C ATOM 0 H PHE A 78 65.145 2.179 -3.572 1.00 0.00 H new ATOM 0 HA PHE A 78 67.028 0.387 -2.262 1.00 0.00 H new ATOM 0 HB2 PHE A 78 67.284 2.822 -2.223 1.00 0.00 H new ATOM 0 HB3 PHE A 78 65.624 3.058 -1.715 1.00 0.00 H new ATOM 0 HD1 PHE A 78 68.767 1.322 -0.591 1.00 0.00 H new ATOM 0 HD2 PHE A 78 65.165 3.352 0.569 1.00 0.00 H new ATOM 0 HE1 PHE A 78 69.481 1.231 1.782 1.00 0.00 H new ATOM 0 HE2 PHE A 78 65.878 3.263 2.941 1.00 0.00 H new ATOM 0 HZ PHE A 78 68.035 2.199 3.549 1.00 0.00 H new ATOM 1145 N LEU A 79 63.997 0.492 -1.068 1.00 0.00 N ATOM 1146 CA LEU A 79 63.115 -0.199 -0.084 1.00 0.00 C ATOM 1147 C LEU A 79 63.443 -1.692 -0.041 1.00 0.00 C ATOM 1148 O LEU A 79 63.290 -2.343 0.974 1.00 0.00 O ATOM 1149 CB LEU A 79 61.694 0.028 -0.600 1.00 0.00 C ATOM 1150 CG LEU A 79 61.029 1.141 0.212 1.00 0.00 C ATOM 1151 CD1 LEU A 79 59.985 1.850 -0.653 1.00 0.00 C ATOM 1152 CD2 LEU A 79 60.348 0.537 1.442 1.00 0.00 C ATOM 0 H LEU A 79 63.522 1.130 -1.706 1.00 0.00 H new ATOM 0 HA LEU A 79 63.244 0.182 0.929 1.00 0.00 H new ATOM 0 HB2 LEU A 79 61.718 0.298 -1.656 1.00 0.00 H new ATOM 0 HB3 LEU A 79 61.115 -0.892 -0.519 1.00 0.00 H new ATOM 0 HG LEU A 79 61.784 1.859 0.531 1.00 0.00 H new ATOM 0 HD11 LEU A 79 59.511 2.643 -0.075 1.00 0.00 H new ATOM 0 HD12 LEU A 79 60.470 2.280 -1.529 1.00 0.00 H new ATOM 0 HD13 LEU A 79 59.229 1.133 -0.972 1.00 0.00 H new ATOM 0 HD21 LEU A 79 59.874 1.329 2.021 1.00 0.00 H new ATOM 0 HD22 LEU A 79 59.593 -0.181 1.124 1.00 0.00 H new ATOM 0 HD23 LEU A 79 61.092 0.032 2.059 1.00 0.00 H new ATOM 1164 N VAL A 80 63.899 -2.241 -1.134 1.00 0.00 N ATOM 1165 CA VAL A 80 64.244 -3.692 -1.153 1.00 0.00 C ATOM 1166 C VAL A 80 65.453 -3.953 -0.254 1.00 0.00 C ATOM 1167 O VAL A 80 65.616 -5.028 0.290 1.00 0.00 O ATOM 1168 CB VAL A 80 64.583 -4.001 -2.612 1.00 0.00 C ATOM 1169 CG1 VAL A 80 63.473 -3.470 -3.521 1.00 0.00 C ATOM 1170 CG2 VAL A 80 65.905 -3.324 -2.980 1.00 0.00 C ATOM 0 H VAL A 80 64.048 -1.748 -2.015 1.00 0.00 H new ATOM 0 HA VAL A 80 63.430 -4.317 -0.785 1.00 0.00 H new ATOM 0 HB VAL A 80 64.674 -5.079 -2.742 1.00 0.00 H new ATOM 0 HG11 VAL A 80 63.717 -3.691 -4.560 1.00 0.00 H new ATOM 0 HG12 VAL A 80 62.529 -3.948 -3.260 1.00 0.00 H new ATOM 0 HG13 VAL A 80 63.381 -2.392 -3.392 1.00 0.00 H new ATOM 0 HG21 VAL A 80 66.149 -3.543 -4.020 1.00 0.00 H new ATOM 0 HG22 VAL A 80 65.811 -2.246 -2.849 1.00 0.00 H new ATOM 0 HG23 VAL A 80 66.699 -3.700 -2.334 1.00 0.00 H new ATOM 1180 N MET A 81 66.305 -2.976 -0.094 1.00 0.00 N ATOM 1181 CA MET A 81 67.503 -3.164 0.771 1.00 0.00 C ATOM 1182 C MET A 81 67.096 -3.152 2.247 1.00 0.00 C ATOM 1183 O MET A 81 67.739 -3.752 3.084 1.00 0.00 O ATOM 1184 CB MET A 81 68.411 -1.974 0.453 1.00 0.00 C ATOM 1185 CG MET A 81 69.408 -2.371 -0.637 1.00 0.00 C ATOM 1186 SD MET A 81 70.451 -3.723 -0.038 1.00 0.00 S ATOM 1187 CE MET A 81 72.016 -2.813 -0.028 1.00 0.00 C ATOM 0 H MET A 81 66.222 -2.056 -0.526 1.00 0.00 H new ATOM 0 HA MET A 81 68.001 -4.116 0.588 1.00 0.00 H new ATOM 0 HB2 MET A 81 67.813 -1.125 0.122 1.00 0.00 H new ATOM 0 HB3 MET A 81 68.943 -1.659 1.350 1.00 0.00 H new ATOM 0 HG2 MET A 81 68.876 -2.679 -1.537 1.00 0.00 H new ATOM 0 HG3 MET A 81 70.025 -1.515 -0.910 1.00 0.00 H new ATOM 0 HE1 MET A 81 72.743 -3.346 0.584 1.00 0.00 H new ATOM 0 HE2 MET A 81 72.393 -2.727 -1.047 1.00 0.00 H new ATOM 0 HE3 MET A 81 71.855 -1.817 0.385 1.00 0.00 H new ATOM 1197 N MET A 82 66.028 -2.474 2.568 1.00 0.00 N ATOM 1198 CA MET A 82 65.575 -2.423 3.988 1.00 0.00 C ATOM 1199 C MET A 82 64.732 -3.658 4.315 1.00 0.00 C ATOM 1200 O MET A 82 64.927 -4.303 5.326 1.00 0.00 O ATOM 1201 CB MET A 82 64.729 -1.154 4.087 1.00 0.00 C ATOM 1202 CG MET A 82 65.587 0.063 3.743 1.00 0.00 C ATOM 1203 SD MET A 82 64.842 1.549 4.462 1.00 0.00 S ATOM 1204 CE MET A 82 63.633 1.856 3.153 1.00 0.00 C ATOM 0 H MET A 82 65.449 -1.953 1.909 1.00 0.00 H new ATOM 0 HA MET A 82 66.409 -2.412 4.690 1.00 0.00 H new ATOM 0 HB2 MET A 82 63.880 -1.217 3.406 1.00 0.00 H new ATOM 0 HB3 MET A 82 64.324 -1.053 5.094 1.00 0.00 H new ATOM 0 HG2 MET A 82 66.598 -0.072 4.126 1.00 0.00 H new ATOM 0 HG3 MET A 82 65.668 0.171 2.661 1.00 0.00 H new ATOM 0 HE1 MET A 82 63.320 2.899 3.185 1.00 0.00 H new ATOM 0 HE2 MET A 82 64.084 1.642 2.184 1.00 0.00 H new ATOM 0 HE3 MET A 82 62.766 1.212 3.300 1.00 0.00 H new ATOM 1214 N VAL A 83 63.798 -3.991 3.467 1.00 0.00 N ATOM 1215 CA VAL A 83 62.943 -5.184 3.728 1.00 0.00 C ATOM 1216 C VAL A 83 63.776 -6.462 3.607 1.00 0.00 C ATOM 1217 O VAL A 83 63.959 -7.188 4.564 1.00 0.00 O ATOM 1218 CB VAL A 83 61.867 -5.141 2.644 1.00 0.00 C ATOM 1219 CG1 VAL A 83 61.073 -6.449 2.659 1.00 0.00 C ATOM 1220 CG2 VAL A 83 60.922 -3.968 2.915 1.00 0.00 C ATOM 0 H VAL A 83 63.590 -3.488 2.604 1.00 0.00 H new ATOM 0 HA VAL A 83 62.513 -5.177 4.730 1.00 0.00 H new ATOM 0 HB VAL A 83 62.337 -5.014 1.669 1.00 0.00 H new ATOM 0 HG11 VAL A 83 60.306 -6.418 1.886 1.00 0.00 H new ATOM 0 HG12 VAL A 83 61.746 -7.285 2.469 1.00 0.00 H new ATOM 0 HG13 VAL A 83 60.601 -6.577 3.633 1.00 0.00 H new ATOM 0 HG21 VAL A 83 60.153 -3.934 2.143 1.00 0.00 H new ATOM 0 HG22 VAL A 83 60.452 -4.097 3.890 1.00 0.00 H new ATOM 0 HG23 VAL A 83 61.487 -3.036 2.905 1.00 0.00 H new ATOM 1230 N ARG A 84 64.284 -6.741 2.439 1.00 0.00 N ATOM 1231 CA ARG A 84 65.107 -7.969 2.260 1.00 0.00 C ATOM 1232 C ARG A 84 66.073 -8.126 3.437 1.00 0.00 C ATOM 1233 O ARG A 84 66.462 -9.221 3.793 1.00 0.00 O ATOM 1234 CB ARG A 84 65.873 -7.745 0.957 1.00 0.00 C ATOM 1235 CG ARG A 84 64.880 -7.619 -0.200 1.00 0.00 C ATOM 1236 CD ARG A 84 65.630 -7.709 -1.532 1.00 0.00 C ATOM 1237 NE ARG A 84 65.290 -9.053 -2.075 1.00 0.00 N ATOM 1238 CZ ARG A 84 66.223 -9.954 -2.216 1.00 0.00 C ATOM 1239 NH1 ARG A 84 67.253 -9.712 -2.979 1.00 0.00 N ATOM 1240 NH2 ARG A 84 66.125 -11.097 -1.594 1.00 0.00 N ATOM 0 H ARG A 84 64.165 -6.172 1.601 1.00 0.00 H new ATOM 0 HA ARG A 84 64.502 -8.875 2.222 1.00 0.00 H new ATOM 0 HB2 ARG A 84 66.480 -6.843 1.030 1.00 0.00 H new ATOM 0 HB3 ARG A 84 66.556 -8.575 0.776 1.00 0.00 H new ATOM 0 HG2 ARG A 84 64.132 -8.409 -0.138 1.00 0.00 H new ATOM 0 HG3 ARG A 84 64.348 -6.670 -0.134 1.00 0.00 H new ATOM 0 HD2 ARG A 84 65.320 -6.918 -2.214 1.00 0.00 H new ATOM 0 HD3 ARG A 84 66.705 -7.602 -1.388 1.00 0.00 H new ATOM 0 HE ARG A 84 64.328 -9.269 -2.337 1.00 0.00 H new ATOM 0 HH11 ARG A 84 67.329 -8.819 -3.465 1.00 0.00 H new ATOM 0 HH12 ARG A 84 67.983 -10.416 -3.089 1.00 0.00 H new ATOM 0 HH21 ARG A 84 65.319 -11.286 -0.998 1.00 0.00 H new ATOM 0 HH22 ARG A 84 66.854 -11.802 -1.704 1.00 0.00 H new ATOM 1254 N GLN A 85 66.458 -7.039 4.047 1.00 0.00 N ATOM 1255 CA GLN A 85 67.393 -7.125 5.205 1.00 0.00 C ATOM 1256 C GLN A 85 66.603 -7.276 6.506 1.00 0.00 C ATOM 1257 O GLN A 85 66.979 -8.022 7.389 1.00 0.00 O ATOM 1258 CB GLN A 85 68.166 -5.807 5.195 1.00 0.00 C ATOM 1259 CG GLN A 85 69.121 -5.770 6.389 1.00 0.00 C ATOM 1260 CD GLN A 85 70.126 -6.917 6.277 1.00 0.00 C ATOM 1261 OE1 GLN A 85 70.783 -7.089 5.162 1.00 0.00 O flip ATOM 1262 NE2 GLN A 85 70.316 -7.667 7.214 1.00 0.00 N flip ATOM 0 H GLN A 85 66.166 -6.095 3.794 1.00 0.00 H new ATOM 0 HA GLN A 85 68.060 -7.984 5.135 1.00 0.00 H new ATOM 0 HB2 GLN A 85 68.725 -5.708 4.265 1.00 0.00 H new ATOM 0 HB3 GLN A 85 67.474 -4.966 5.242 1.00 0.00 H new ATOM 0 HG2 GLN A 85 69.646 -4.815 6.419 1.00 0.00 H new ATOM 0 HG3 GLN A 85 68.560 -5.854 7.319 1.00 0.00 H new ATOM 0 HE21 GLN A 85 69.804 -7.534 8.086 1.00 0.00 H new ATOM 0 HE22 GLN A 85 70.988 -8.430 7.129 1.00 0.00 H new ATOM 1271 N MET A 86 65.506 -6.580 6.631 1.00 0.00 N ATOM 1272 CA MET A 86 64.693 -6.693 7.875 1.00 0.00 C ATOM 1273 C MET A 86 63.934 -8.020 7.883 1.00 0.00 C ATOM 1274 O MET A 86 63.543 -8.515 8.921 1.00 0.00 O ATOM 1275 CB MET A 86 63.720 -5.516 7.828 1.00 0.00 C ATOM 1276 CG MET A 86 64.177 -4.439 8.814 1.00 0.00 C ATOM 1277 SD MET A 86 62.860 -3.219 9.031 1.00 0.00 S ATOM 1278 CE MET A 86 61.699 -4.290 9.915 1.00 0.00 C ATOM 0 H MET A 86 65.138 -5.940 5.927 1.00 0.00 H new ATOM 0 HA MET A 86 65.308 -6.670 8.775 1.00 0.00 H new ATOM 0 HB2 MET A 86 63.677 -5.106 6.819 1.00 0.00 H new ATOM 0 HB3 MET A 86 62.714 -5.851 8.079 1.00 0.00 H new ATOM 0 HG2 MET A 86 64.428 -4.892 9.773 1.00 0.00 H new ATOM 0 HG3 MET A 86 65.080 -3.953 8.445 1.00 0.00 H new ATOM 0 HE1 MET A 86 61.129 -3.697 10.630 1.00 0.00 H new ATOM 0 HE2 MET A 86 61.016 -4.753 9.202 1.00 0.00 H new ATOM 0 HE3 MET A 86 62.251 -5.066 10.445 1.00 0.00 H new ATOM 1288 N LYS A 87 63.728 -8.606 6.735 1.00 0.00 N ATOM 1289 CA LYS A 87 63.001 -9.905 6.687 1.00 0.00 C ATOM 1290 C LYS A 87 63.609 -10.866 7.710 1.00 0.00 C ATOM 1291 O LYS A 87 62.951 -11.755 8.213 1.00 0.00 O ATOM 1292 CB LYS A 87 63.207 -10.426 5.264 1.00 0.00 C ATOM 1293 CG LYS A 87 62.221 -9.737 4.319 1.00 0.00 C ATOM 1294 CD LYS A 87 61.390 -10.793 3.590 1.00 0.00 C ATOM 1295 CE LYS A 87 61.700 -10.744 2.092 1.00 0.00 C ATOM 1296 NZ LYS A 87 60.742 -11.699 1.471 1.00 0.00 N ATOM 0 H LYS A 87 64.031 -8.242 5.831 1.00 0.00 H new ATOM 0 HA LYS A 87 61.942 -9.805 6.925 1.00 0.00 H new ATOM 0 HB2 LYS A 87 64.230 -10.236 4.941 1.00 0.00 H new ATOM 0 HB3 LYS A 87 63.060 -11.506 5.236 1.00 0.00 H new ATOM 0 HG2 LYS A 87 61.568 -9.070 4.881 1.00 0.00 H new ATOM 0 HG3 LYS A 87 62.761 -9.122 3.598 1.00 0.00 H new ATOM 0 HD2 LYS A 87 61.614 -11.784 3.986 1.00 0.00 H new ATOM 0 HD3 LYS A 87 60.328 -10.615 3.758 1.00 0.00 H new ATOM 0 HE2 LYS A 87 61.569 -9.738 1.694 1.00 0.00 H new ATOM 0 HE3 LYS A 87 62.732 -11.033 1.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 60.892 -11.722 0.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 60.895 -12.649 1.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 59.768 -11.394 1.672 1.00 0.00 H new ATOM 1310 N GLU A 88 64.862 -10.684 8.026 1.00 0.00 N ATOM 1311 CA GLU A 88 65.519 -11.575 9.025 1.00 0.00 C ATOM 1312 C GLU A 88 65.527 -10.894 10.396 1.00 0.00 C ATOM 1313 O GLU A 88 65.339 -11.526 11.417 1.00 0.00 O ATOM 1314 CB GLU A 88 66.945 -11.769 8.509 1.00 0.00 C ATOM 1315 CG GLU A 88 67.241 -13.263 8.376 1.00 0.00 C ATOM 1316 CD GLU A 88 68.624 -13.456 7.750 1.00 0.00 C ATOM 1317 OE1 GLU A 88 69.274 -12.459 7.480 1.00 0.00 O ATOM 1318 OE2 GLU A 88 69.009 -14.596 7.552 1.00 0.00 O ATOM 0 H GLU A 88 65.460 -9.956 7.635 1.00 0.00 H new ATOM 0 HA GLU A 88 65.002 -12.527 9.141 1.00 0.00 H new ATOM 0 HB2 GLU A 88 67.064 -11.277 7.544 1.00 0.00 H new ATOM 0 HB3 GLU A 88 67.657 -11.306 9.193 1.00 0.00 H new ATOM 0 HG2 GLU A 88 67.204 -13.740 9.355 1.00 0.00 H new ATOM 0 HG3 GLU A 88 66.481 -13.742 7.759 1.00 0.00 H new ATOM 1325 N ASP A 89 65.739 -9.605 10.425 1.00 0.00 N ATOM 1326 CA ASP A 89 65.755 -8.881 11.728 1.00 0.00 C ATOM 1327 C ASP A 89 64.329 -8.740 12.267 1.00 0.00 C ATOM 1328 O ASP A 89 64.111 -8.653 13.460 1.00 0.00 O ATOM 1329 CB ASP A 89 66.345 -7.508 11.412 1.00 0.00 C ATOM 1330 CG ASP A 89 67.873 -7.588 11.436 1.00 0.00 C ATOM 1331 OD1 ASP A 89 68.385 -8.573 11.943 1.00 0.00 O ATOM 1332 OD2 ASP A 89 68.503 -6.665 10.948 1.00 0.00 O ATOM 0 H ASP A 89 65.902 -9.023 9.603 1.00 0.00 H new ATOM 0 HA ASP A 89 66.334 -9.407 12.487 1.00 0.00 H new ATOM 0 HB2 ASP A 89 66.004 -7.171 10.433 1.00 0.00 H new ATOM 0 HB3 ASP A 89 65.998 -6.775 12.140 1.00 0.00 H new ATOM 1337 N ALA A 90 63.356 -8.717 11.398 1.00 0.00 N ATOM 1338 CA ALA A 90 61.945 -8.581 11.859 1.00 0.00 C ATOM 1339 C ALA A 90 61.450 -9.906 12.446 1.00 0.00 C ATOM 1340 O ALA A 90 60.369 -10.330 12.072 1.00 0.00 O ATOM 1341 CB ALA A 90 61.150 -8.221 10.604 1.00 0.00 C ATOM 1342 OXT ALA A 90 62.162 -10.475 13.258 1.00 0.00 O ATOM 0 H ALA A 90 63.477 -8.787 10.388 1.00 0.00 H new ATOM 0 HA ALA A 90 61.837 -7.828 12.639 1.00 0.00 H new ATOM 0 HB1 ALA A 90 60.097 -8.103 10.861 1.00 0.00 H new ATOM 0 HB2 ALA A 90 61.529 -7.287 10.189 1.00 0.00 H new ATOM 0 HB3 ALA A 90 61.256 -9.016 9.866 1.00 0.00 H new