USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 605 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 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 85 GLN : amide:sc= -0.558 K(o=-0.56,f=-0.033) USER MOD Set 2.1: A 3 MET CE :methyl -117:sc= -0.297 (180deg=-0.113) USER MOD Set 2.2: A 7 GLN : amide:sc= -2.64 X(o=-2.9,f=-2.6) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.17 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0.353 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 170:sc= -3.04! USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.134 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 97:sc= 1.12 USER MOD Single : A 46 MET CE :methyl -169:sc= -0.589 (180deg=-1.09) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.142 K(o=-0.14,f=-1.4!) USER MOD Single : A 52 ASN : amide:sc= -0.738 K(o=-0.74,f=-1.4) USER MOD Single : A 54 THR OG1 : rot 134:sc= -1.53! USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.512 USER MOD Single : A 81 MET CE :methyl 156:sc= -7.11! (180deg=-10.7!) USER MOD ----------------------------------------------------------------- ATOM 24 N MET A 3 -12.670 -6.914 -4.513 1.00 0.00 N ATOM 25 CA MET A 3 -11.967 -7.816 -3.558 1.00 0.00 C ATOM 26 C MET A 3 -11.970 -9.238 -4.116 1.00 0.00 C ATOM 27 O MET A 3 -11.991 -10.206 -3.384 1.00 0.00 O ATOM 28 CB MET A 3 -12.688 -7.797 -2.209 1.00 0.00 C ATOM 29 CG MET A 3 -12.547 -6.411 -1.577 1.00 0.00 C ATOM 30 SD MET A 3 -11.762 -6.566 0.047 1.00 0.00 S ATOM 31 CE MET A 3 -10.600 -5.190 -0.133 1.00 0.00 C ATOM 0 HA MET A 3 -10.940 -7.476 -3.423 1.00 0.00 H new ATOM 0 HB2 MET A 3 -13.742 -8.042 -2.344 1.00 0.00 H new ATOM 0 HB3 MET A 3 -12.267 -8.555 -1.548 1.00 0.00 H new ATOM 0 HG2 MET A 3 -11.951 -5.765 -2.221 1.00 0.00 H new ATOM 0 HG3 MET A 3 -13.527 -5.944 -1.476 1.00 0.00 H new ATOM 0 HE1 MET A 3 -9.579 -5.569 -0.097 1.00 0.00 H new ATOM 0 HE2 MET A 3 -10.769 -4.694 -1.089 1.00 0.00 H new ATOM 0 HE3 MET A 3 -10.752 -4.477 0.678 1.00 0.00 H new ATOM 41 N THR A 4 -11.951 -9.370 -5.414 1.00 0.00 N ATOM 42 CA THR A 4 -11.955 -10.721 -6.030 1.00 0.00 C ATOM 43 C THR A 4 -10.507 -11.191 -6.224 1.00 0.00 C ATOM 44 O THR A 4 -9.660 -10.971 -5.382 1.00 0.00 O ATOM 45 CB THR A 4 -12.678 -10.640 -7.377 1.00 0.00 C ATOM 46 OG1 THR A 4 -12.949 -11.950 -7.857 1.00 0.00 O ATOM 47 CG2 THR A 4 -11.800 -9.888 -8.379 1.00 0.00 C ATOM 0 H THR A 4 -11.933 -8.594 -6.076 1.00 0.00 H new ATOM 0 HA THR A 4 -12.470 -11.435 -5.387 1.00 0.00 H new ATOM 0 HB THR A 4 -13.621 -10.108 -7.253 1.00 0.00 H new ATOM 0 HG1 THR A 4 -13.413 -11.893 -8.718 1.00 0.00 H new ATOM 0 HG21 THR A 4 -12.312 -9.829 -9.339 1.00 0.00 H new ATOM 0 HG22 THR A 4 -11.606 -8.881 -8.009 1.00 0.00 H new ATOM 0 HG23 THR A 4 -10.855 -10.417 -8.504 1.00 0.00 H new ATOM 55 N ASP A 5 -10.214 -11.832 -7.323 1.00 0.00 N ATOM 56 CA ASP A 5 -8.825 -12.309 -7.562 1.00 0.00 C ATOM 57 C ASP A 5 -7.830 -11.186 -7.260 1.00 0.00 C ATOM 58 O ASP A 5 -6.755 -11.419 -6.745 1.00 0.00 O ATOM 59 CB ASP A 5 -8.688 -12.720 -9.026 1.00 0.00 C ATOM 60 CG ASP A 5 -7.236 -13.106 -9.314 1.00 0.00 C ATOM 61 OD1 ASP A 5 -6.646 -13.776 -8.484 1.00 0.00 O ATOM 62 OD2 ASP A 5 -6.739 -12.722 -10.360 1.00 0.00 O ATOM 0 H ASP A 5 -10.879 -12.046 -8.066 1.00 0.00 H new ATOM 0 HA ASP A 5 -8.615 -13.158 -6.912 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -9.348 -13.560 -9.242 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -8.993 -11.899 -9.675 1.00 0.00 H new ATOM 67 N GLN A 6 -8.178 -9.970 -7.582 1.00 0.00 N ATOM 68 CA GLN A 6 -7.248 -8.836 -7.320 1.00 0.00 C ATOM 69 C GLN A 6 -6.768 -8.886 -5.868 1.00 0.00 C ATOM 70 O GLN A 6 -5.588 -8.988 -5.599 1.00 0.00 O ATOM 71 CB GLN A 6 -7.974 -7.514 -7.576 1.00 0.00 C ATOM 72 CG GLN A 6 -8.536 -7.509 -8.999 1.00 0.00 C ATOM 73 CD GLN A 6 -7.553 -6.802 -9.935 1.00 0.00 C ATOM 74 OE1 GLN A 6 -7.694 -5.626 -10.206 1.00 0.00 O ATOM 75 NE2 GLN A 6 -6.558 -7.473 -10.446 1.00 0.00 N ATOM 0 H GLN A 6 -9.065 -9.713 -8.015 1.00 0.00 H new ATOM 0 HA GLN A 6 -6.387 -8.913 -7.984 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -8.781 -7.384 -6.854 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -7.288 -6.678 -7.441 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -8.706 -8.531 -9.338 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -9.501 -7.002 -9.018 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -6.439 -8.460 -10.219 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -5.899 -7.010 -11.072 1.00 0.00 H new ATOM 84 N GLN A 7 -7.671 -8.816 -4.929 1.00 0.00 N ATOM 85 CA GLN A 7 -7.257 -8.858 -3.497 1.00 0.00 C ATOM 86 C GLN A 7 -7.237 -10.308 -3.009 1.00 0.00 C ATOM 87 O GLN A 7 -7.074 -10.575 -1.835 1.00 0.00 O ATOM 88 CB GLN A 7 -8.243 -8.045 -2.658 1.00 0.00 C ATOM 89 CG GLN A 7 -7.788 -6.585 -2.612 1.00 0.00 C ATOM 90 CD GLN A 7 -8.566 -5.769 -3.648 1.00 0.00 C ATOM 91 OE1 GLN A 7 -9.380 -4.939 -3.297 1.00 0.00 O ATOM 92 NE2 GLN A 7 -8.349 -5.971 -4.919 1.00 0.00 N ATOM 0 H GLN A 7 -8.675 -8.732 -5.090 1.00 0.00 H new ATOM 0 HA GLN A 7 -6.259 -8.432 -3.395 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -9.243 -8.112 -3.086 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -8.300 -8.452 -1.648 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -7.950 -6.175 -1.615 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -6.719 -6.521 -2.813 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -7.666 -6.668 -5.215 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -8.863 -5.432 -5.616 1.00 0.00 H new ATOM 101 N ALA A 8 -7.398 -11.247 -3.902 1.00 0.00 N ATOM 102 CA ALA A 8 -7.383 -12.678 -3.488 1.00 0.00 C ATOM 103 C ALA A 8 -5.935 -13.159 -3.378 1.00 0.00 C ATOM 104 O ALA A 8 -5.526 -13.702 -2.371 1.00 0.00 O ATOM 105 CB ALA A 8 -8.123 -13.521 -4.530 1.00 0.00 C ATOM 0 H ALA A 8 -7.539 -11.085 -4.899 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.877 -12.782 -2.522 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -8.111 -14.568 -4.226 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.154 -13.178 -4.610 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -7.631 -13.419 -5.497 1.00 0.00 H new ATOM 111 N GLU A 9 -5.154 -12.964 -4.407 1.00 0.00 N ATOM 112 CA GLU A 9 -3.733 -13.411 -4.357 1.00 0.00 C ATOM 113 C GLU A 9 -3.000 -12.659 -3.243 1.00 0.00 C ATOM 114 O GLU A 9 -2.019 -13.132 -2.706 1.00 0.00 O ATOM 115 CB GLU A 9 -3.057 -13.127 -5.702 1.00 0.00 C ATOM 116 CG GLU A 9 -3.259 -11.659 -6.080 1.00 0.00 C ATOM 117 CD GLU A 9 -1.994 -11.129 -6.759 1.00 0.00 C ATOM 118 OE1 GLU A 9 -1.170 -11.941 -7.148 1.00 0.00 O ATOM 119 OE2 GLU A 9 -1.870 -9.922 -6.879 1.00 0.00 O ATOM 0 H GLU A 9 -5.438 -12.515 -5.278 1.00 0.00 H new ATOM 0 HA GLU A 9 -3.696 -14.482 -4.155 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -1.993 -13.354 -5.640 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.476 -13.772 -6.474 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.113 -11.559 -6.750 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -3.481 -11.070 -5.190 1.00 0.00 H new ATOM 126 N ALA A 10 -3.471 -11.494 -2.890 1.00 0.00 N ATOM 127 CA ALA A 10 -2.804 -10.718 -1.807 1.00 0.00 C ATOM 128 C ALA A 10 -3.166 -11.324 -0.452 1.00 0.00 C ATOM 129 O ALA A 10 -2.309 -11.718 0.308 1.00 0.00 O ATOM 130 CB ALA A 10 -3.272 -9.262 -1.856 1.00 0.00 C ATOM 0 H ALA A 10 -4.288 -11.047 -3.305 1.00 0.00 H new ATOM 0 HA ALA A 10 -1.724 -10.755 -1.947 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.783 -8.696 -1.063 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.014 -8.829 -2.823 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.352 -9.222 -1.717 1.00 0.00 H new ATOM 136 N ARG A 11 -4.430 -11.408 -0.140 1.00 0.00 N ATOM 137 CA ARG A 11 -4.831 -11.995 1.169 1.00 0.00 C ATOM 138 C ARG A 11 -4.545 -13.501 1.166 1.00 0.00 C ATOM 139 O ARG A 11 -4.702 -14.175 2.165 1.00 0.00 O ATOM 140 CB ARG A 11 -6.326 -11.758 1.403 1.00 0.00 C ATOM 141 CG ARG A 11 -6.552 -11.295 2.844 1.00 0.00 C ATOM 142 CD ARG A 11 -7.755 -10.350 2.897 1.00 0.00 C ATOM 143 NE ARG A 11 -7.278 -8.939 2.878 1.00 0.00 N ATOM 144 CZ ARG A 11 -8.081 -7.983 2.496 1.00 0.00 C ATOM 145 NH1 ARG A 11 -9.362 -8.208 2.392 1.00 0.00 N ATOM 146 NH2 ARG A 11 -7.601 -6.802 2.217 1.00 0.00 N ATOM 0 H ARG A 11 -5.200 -11.097 -0.733 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.261 -11.520 1.967 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.699 -11.007 0.706 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.884 -12.675 1.213 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.724 -12.156 3.490 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.662 -10.788 3.218 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -8.414 -10.534 2.048 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -8.338 -10.536 3.799 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.324 -8.720 3.164 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -9.737 -9.131 2.609 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.989 -7.460 2.094 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.599 -6.627 2.297 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.227 -6.054 1.918 1.00 0.00 H new ATOM 160 N ALA A 12 -4.126 -14.033 0.048 1.00 0.00 N ATOM 161 CA ALA A 12 -3.829 -15.492 -0.018 1.00 0.00 C ATOM 162 C ALA A 12 -2.407 -15.748 0.487 1.00 0.00 C ATOM 163 O ALA A 12 -2.207 -16.238 1.581 1.00 0.00 O ATOM 164 CB ALA A 12 -3.947 -15.967 -1.468 1.00 0.00 C ATOM 0 H ALA A 12 -3.977 -13.520 -0.821 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.538 -16.037 0.605 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.730 -17.034 -1.520 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -4.959 -15.784 -1.830 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.236 -15.422 -2.089 1.00 0.00 H new ATOM 170 N PHE A 13 -1.418 -15.420 -0.300 1.00 0.00 N ATOM 171 CA PHE A 13 -0.011 -15.646 0.142 1.00 0.00 C ATOM 172 C PHE A 13 0.242 -14.868 1.434 1.00 0.00 C ATOM 173 O PHE A 13 1.195 -15.118 2.146 1.00 0.00 O ATOM 174 CB PHE A 13 0.961 -15.161 -0.938 1.00 0.00 C ATOM 175 CG PHE A 13 0.388 -15.434 -2.308 1.00 0.00 C ATOM 176 CD1 PHE A 13 -0.376 -16.585 -2.535 1.00 0.00 C ATOM 177 CD2 PHE A 13 0.625 -14.533 -3.354 1.00 0.00 C ATOM 178 CE1 PHE A 13 -0.904 -16.834 -3.807 1.00 0.00 C ATOM 179 CE2 PHE A 13 0.097 -14.784 -4.627 1.00 0.00 C ATOM 180 CZ PHE A 13 -0.667 -15.934 -4.853 1.00 0.00 C ATOM 0 H PHE A 13 -1.522 -15.007 -1.227 1.00 0.00 H new ATOM 0 HA PHE A 13 0.145 -16.711 0.313 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.147 -14.094 -0.819 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.921 -15.666 -0.829 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -0.558 -17.280 -1.729 1.00 0.00 H new ATOM 0 HD2 PHE A 13 1.215 -13.645 -3.179 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.495 -17.721 -3.982 1.00 0.00 H new ATOM 0 HE2 PHE A 13 0.280 -14.090 -5.434 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.074 -16.128 -5.834 1.00 0.00 H new ATOM 190 N LEU A 14 -0.604 -13.923 1.742 1.00 0.00 N ATOM 191 CA LEU A 14 -0.413 -13.127 2.986 1.00 0.00 C ATOM 192 C LEU A 14 -1.077 -13.851 4.159 1.00 0.00 C ATOM 193 O LEU A 14 -2.171 -13.518 4.567 1.00 0.00 O ATOM 194 CB LEU A 14 -1.058 -11.746 2.813 1.00 0.00 C ATOM 195 CG LEU A 14 -0.178 -10.851 1.928 1.00 0.00 C ATOM 196 CD1 LEU A 14 0.446 -11.667 0.791 1.00 0.00 C ATOM 197 CD2 LEU A 14 -1.035 -9.731 1.334 1.00 0.00 C ATOM 0 H LEU A 14 -1.420 -13.668 1.185 1.00 0.00 H new ATOM 0 HA LEU A 14 0.653 -13.010 3.183 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.046 -11.853 2.365 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.199 -11.279 3.788 1.00 0.00 H new ATOM 0 HG LEU A 14 0.621 -10.429 2.538 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.066 -11.017 0.174 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.061 -12.464 1.210 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.344 -12.102 0.179 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.415 -9.093 0.705 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.835 -10.164 0.734 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.467 -9.137 2.140 1.00 0.00 H new ATOM 209 N SER A 15 -0.425 -14.842 4.703 1.00 0.00 N ATOM 210 CA SER A 15 -1.022 -15.586 5.847 1.00 0.00 C ATOM 211 C SER A 15 -1.457 -14.595 6.930 1.00 0.00 C ATOM 212 O SER A 15 -1.250 -13.404 6.812 1.00 0.00 O ATOM 213 CB SER A 15 0.016 -16.548 6.424 1.00 0.00 C ATOM 214 OG SER A 15 0.890 -15.833 7.289 1.00 0.00 O ATOM 0 H SER A 15 0.494 -15.168 4.405 1.00 0.00 H new ATOM 0 HA SER A 15 -1.889 -16.149 5.502 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.479 -17.350 6.971 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.584 -17.014 5.619 1.00 0.00 H new ATOM 0 HG SER A 15 1.556 -16.448 7.662 1.00 0.00 H new ATOM 220 N GLU A 16 -2.059 -15.080 7.982 1.00 0.00 N ATOM 221 CA GLU A 16 -2.509 -14.167 9.071 1.00 0.00 C ATOM 222 C GLU A 16 -1.289 -13.543 9.752 1.00 0.00 C ATOM 223 O GLU A 16 -1.399 -12.580 10.485 1.00 0.00 O ATOM 224 CB GLU A 16 -3.318 -14.961 10.100 1.00 0.00 C ATOM 225 CG GLU A 16 -4.172 -14.001 10.930 1.00 0.00 C ATOM 226 CD GLU A 16 -3.875 -14.204 12.416 1.00 0.00 C ATOM 227 OE1 GLU A 16 -4.126 -15.292 12.906 1.00 0.00 O ATOM 228 OE2 GLU A 16 -3.399 -13.269 13.039 1.00 0.00 O ATOM 0 H GLU A 16 -2.259 -16.069 8.134 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.132 -13.378 8.649 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.955 -15.687 9.595 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.647 -15.523 10.750 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.961 -12.971 10.644 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.230 -14.176 10.733 1.00 0.00 H new ATOM 235 N GLU A 17 -0.125 -14.082 9.514 1.00 0.00 N ATOM 236 CA GLU A 17 1.101 -13.519 10.148 1.00 0.00 C ATOM 237 C GLU A 17 1.688 -12.432 9.245 1.00 0.00 C ATOM 238 O GLU A 17 2.372 -11.536 9.700 1.00 0.00 O ATOM 239 CB GLU A 17 2.134 -14.633 10.339 1.00 0.00 C ATOM 240 CG GLU A 17 3.442 -14.032 10.857 1.00 0.00 C ATOM 241 CD GLU A 17 4.388 -13.776 9.681 1.00 0.00 C ATOM 242 OE1 GLU A 17 4.113 -14.280 8.604 1.00 0.00 O ATOM 243 OE2 GLU A 17 5.372 -13.081 9.878 1.00 0.00 O ATOM 0 H GLU A 17 0.030 -14.888 8.908 1.00 0.00 H new ATOM 0 HA GLU A 17 0.845 -13.090 11.117 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.758 -15.375 11.043 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.307 -15.149 9.395 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.242 -13.100 11.386 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.908 -14.710 11.572 1.00 0.00 H new ATOM 250 N MET A 18 1.428 -12.504 7.969 1.00 0.00 N ATOM 251 CA MET A 18 1.971 -11.476 7.036 1.00 0.00 C ATOM 252 C MET A 18 1.183 -10.173 7.195 1.00 0.00 C ATOM 253 O MET A 18 1.750 -9.109 7.347 1.00 0.00 O ATOM 254 CB MET A 18 1.841 -11.977 5.596 1.00 0.00 C ATOM 255 CG MET A 18 3.229 -12.059 4.955 1.00 0.00 C ATOM 256 SD MET A 18 3.366 -13.598 4.012 1.00 0.00 S ATOM 257 CE MET A 18 5.171 -13.720 4.039 1.00 0.00 C ATOM 0 H MET A 18 0.862 -13.231 7.531 1.00 0.00 H new ATOM 0 HA MET A 18 3.021 -11.295 7.266 1.00 0.00 H new ATOM 0 HB2 MET A 18 1.364 -12.957 5.583 1.00 0.00 H new ATOM 0 HB3 MET A 18 1.203 -11.305 5.022 1.00 0.00 H new ATOM 0 HG2 MET A 18 3.390 -11.203 4.300 1.00 0.00 H new ATOM 0 HG3 MET A 18 4.000 -12.021 5.725 1.00 0.00 H new ATOM 0 HE1 MET A 18 5.483 -14.616 3.503 1.00 0.00 H new ATOM 0 HE2 MET A 18 5.602 -12.841 3.559 1.00 0.00 H new ATOM 0 HE3 MET A 18 5.517 -13.776 5.071 1.00 0.00 H new ATOM 267 N ILE A 19 -0.118 -10.247 7.156 1.00 0.00 N ATOM 268 CA ILE A 19 -0.942 -9.013 7.301 1.00 0.00 C ATOM 269 C ILE A 19 -0.692 -8.386 8.670 1.00 0.00 C ATOM 270 O ILE A 19 -0.456 -7.199 8.789 1.00 0.00 O ATOM 271 CB ILE A 19 -2.424 -9.371 7.172 1.00 0.00 C ATOM 272 CG1 ILE A 19 -2.643 -10.186 5.896 1.00 0.00 C ATOM 273 CG2 ILE A 19 -3.258 -8.090 7.107 1.00 0.00 C ATOM 274 CD1 ILE A 19 -3.495 -11.413 6.220 1.00 0.00 C ATOM 0 H ILE A 19 -0.648 -11.110 7.030 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.667 -8.303 6.521 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.730 -9.959 8.037 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.137 -9.575 5.141 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.684 -10.495 5.479 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.313 -8.347 7.015 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.104 -7.509 8.016 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.952 -7.500 6.243 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.653 -11.996 5.313 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.982 -12.026 6.961 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.458 -11.093 6.618 1.00 0.00 H new ATOM 286 N ALA A 20 -0.743 -9.173 9.706 1.00 0.00 N ATOM 287 CA ALA A 20 -0.511 -8.627 11.070 1.00 0.00 C ATOM 288 C ALA A 20 0.832 -7.894 11.109 1.00 0.00 C ATOM 289 O ALA A 20 1.032 -6.990 11.894 1.00 0.00 O ATOM 290 CB ALA A 20 -0.495 -9.778 12.074 1.00 0.00 C ATOM 0 H ALA A 20 -0.936 -10.174 9.667 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.308 -7.928 11.325 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.325 -9.384 13.076 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.452 -10.299 12.046 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.304 -10.474 11.817 1.00 0.00 H new ATOM 296 N GLU A 21 1.754 -8.278 10.270 1.00 0.00 N ATOM 297 CA GLU A 21 3.084 -7.603 10.264 1.00 0.00 C ATOM 298 C GLU A 21 2.983 -6.267 9.524 1.00 0.00 C ATOM 299 O GLU A 21 3.252 -5.219 10.075 1.00 0.00 O ATOM 300 CB GLU A 21 4.106 -8.498 9.561 1.00 0.00 C ATOM 301 CG GLU A 21 5.388 -7.703 9.306 1.00 0.00 C ATOM 302 CD GLU A 21 6.591 -8.647 9.349 1.00 0.00 C ATOM 303 OE1 GLU A 21 6.440 -9.742 9.866 1.00 0.00 O ATOM 304 OE2 GLU A 21 7.641 -8.259 8.866 1.00 0.00 O ATOM 0 H GLU A 21 1.645 -9.029 9.589 1.00 0.00 H new ATOM 0 HA GLU A 21 3.401 -7.423 11.291 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.323 -9.372 10.175 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.698 -8.864 8.619 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.335 -7.208 8.336 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.499 -6.921 10.057 1.00 0.00 H new ATOM 311 N PHE A 22 2.601 -6.299 8.276 1.00 0.00 N ATOM 312 CA PHE A 22 2.488 -5.032 7.497 1.00 0.00 C ATOM 313 C PHE A 22 1.661 -4.013 8.284 1.00 0.00 C ATOM 314 O PHE A 22 1.787 -2.820 8.095 1.00 0.00 O ATOM 315 CB PHE A 22 1.800 -5.318 6.161 1.00 0.00 C ATOM 316 CG PHE A 22 2.608 -6.325 5.377 1.00 0.00 C ATOM 317 CD1 PHE A 22 4.004 -6.340 5.483 1.00 0.00 C ATOM 318 CD2 PHE A 22 1.959 -7.246 4.544 1.00 0.00 C ATOM 319 CE1 PHE A 22 4.750 -7.274 4.755 1.00 0.00 C ATOM 320 CE2 PHE A 22 2.706 -8.180 3.818 1.00 0.00 C ATOM 321 CZ PHE A 22 4.102 -8.194 3.923 1.00 0.00 C ATOM 0 H PHE A 22 2.362 -7.147 7.762 1.00 0.00 H new ATOM 0 HA PHE A 22 3.485 -4.628 7.319 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.794 -5.700 6.334 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.697 -4.396 5.589 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.505 -5.631 6.126 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.882 -7.235 4.462 1.00 0.00 H new ATOM 0 HE1 PHE A 22 5.827 -7.285 4.835 1.00 0.00 H new ATOM 0 HE2 PHE A 22 2.206 -8.890 3.176 1.00 0.00 H new ATOM 0 HZ PHE A 22 4.679 -8.915 3.362 1.00 0.00 H new ATOM 331 N LYS A 23 0.812 -4.474 9.159 1.00 0.00 N ATOM 332 CA LYS A 23 -0.027 -3.531 9.952 1.00 0.00 C ATOM 333 C LYS A 23 0.869 -2.536 10.695 1.00 0.00 C ATOM 334 O LYS A 23 0.682 -1.339 10.613 1.00 0.00 O ATOM 335 CB LYS A 23 -0.861 -4.320 10.962 1.00 0.00 C ATOM 336 CG LYS A 23 -2.163 -4.776 10.301 1.00 0.00 C ATOM 337 CD LYS A 23 -3.115 -5.323 11.368 1.00 0.00 C ATOM 338 CE LYS A 23 -4.477 -5.618 10.735 1.00 0.00 C ATOM 339 NZ LYS A 23 -5.534 -5.567 11.785 1.00 0.00 N ATOM 0 H LYS A 23 0.662 -5.463 9.360 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.688 -2.984 9.279 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.299 -5.184 11.318 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.080 -3.701 11.832 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.629 -3.941 9.777 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.955 -5.544 9.556 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.702 -6.231 11.808 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.227 -4.600 12.176 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.691 -4.890 9.952 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.465 -6.600 10.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.460 -5.767 11.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.331 -6.277 12.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.550 -4.621 12.216 1.00 0.00 H new ATOM 353 N ALA A 24 1.836 -3.017 11.423 1.00 0.00 N ATOM 354 CA ALA A 24 2.734 -2.092 12.171 1.00 0.00 C ATOM 355 C ALA A 24 3.755 -1.473 11.213 1.00 0.00 C ATOM 356 O ALA A 24 4.525 -0.611 11.584 1.00 0.00 O ATOM 357 CB ALA A 24 3.471 -2.871 13.262 1.00 0.00 C ATOM 0 H ALA A 24 2.044 -4.009 11.533 1.00 0.00 H new ATOM 0 HA ALA A 24 2.138 -1.300 12.624 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.128 -2.196 13.810 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.747 -3.309 13.949 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.064 -3.664 12.806 1.00 0.00 H new ATOM 363 N ALA A 25 3.774 -1.911 9.984 1.00 0.00 N ATOM 364 CA ALA A 25 4.753 -1.350 9.009 1.00 0.00 C ATOM 365 C ALA A 25 4.141 -0.149 8.282 1.00 0.00 C ATOM 366 O ALA A 25 4.494 0.987 8.534 1.00 0.00 O ATOM 367 CB ALA A 25 5.129 -2.427 7.990 1.00 0.00 C ATOM 0 H ALA A 25 3.155 -2.632 9.613 1.00 0.00 H new ATOM 0 HA ALA A 25 5.645 -1.024 9.545 1.00 0.00 H new ATOM 0 HB1 ALA A 25 5.845 -2.019 7.276 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.576 -3.276 8.507 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.235 -2.754 7.460 1.00 0.00 H new ATOM 373 N PHE A 26 3.235 -0.389 7.374 1.00 0.00 N ATOM 374 CA PHE A 26 2.612 0.739 6.624 1.00 0.00 C ATOM 375 C PHE A 26 1.642 1.505 7.526 1.00 0.00 C ATOM 376 O PHE A 26 1.502 2.706 7.418 1.00 0.00 O ATOM 377 CB PHE A 26 1.855 0.196 5.417 1.00 0.00 C ATOM 378 CG PHE A 26 1.910 1.223 4.319 1.00 0.00 C ATOM 379 CD1 PHE A 26 2.962 1.207 3.398 1.00 0.00 C ATOM 380 CD2 PHE A 26 0.918 2.201 4.231 1.00 0.00 C ATOM 381 CE1 PHE A 26 3.019 2.169 2.384 1.00 0.00 C ATOM 382 CE2 PHE A 26 0.974 3.163 3.221 1.00 0.00 C ATOM 383 CZ PHE A 26 2.024 3.149 2.295 1.00 0.00 C ATOM 0 H PHE A 26 2.899 -1.318 7.119 1.00 0.00 H new ATOM 0 HA PHE A 26 3.399 1.415 6.291 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.299 -0.741 5.082 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.820 -0.019 5.684 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.731 0.452 3.470 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.107 2.213 4.944 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.830 2.155 1.671 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.206 3.919 3.154 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.066 3.893 1.513 1.00 0.00 H new ATOM 393 N ASP A 27 0.964 0.826 8.408 1.00 0.00 N ATOM 394 CA ASP A 27 0.001 1.529 9.301 1.00 0.00 C ATOM 395 C ASP A 27 0.722 2.002 10.567 1.00 0.00 C ATOM 396 O ASP A 27 0.117 2.186 11.605 1.00 0.00 O ATOM 397 CB ASP A 27 -1.137 0.579 9.677 1.00 0.00 C ATOM 398 CG ASP A 27 -2.365 0.895 8.823 1.00 0.00 C ATOM 399 OD1 ASP A 27 -2.281 1.803 8.013 1.00 0.00 O ATOM 400 OD2 ASP A 27 -3.369 0.223 8.992 1.00 0.00 O ATOM 0 H ASP A 27 1.034 -0.182 8.549 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.410 2.393 8.780 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -0.829 -0.455 9.522 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -1.379 0.684 10.735 1.00 0.00 H new ATOM 405 N MET A 28 2.009 2.205 10.488 1.00 0.00 N ATOM 406 CA MET A 28 2.764 2.672 11.685 1.00 0.00 C ATOM 407 C MET A 28 2.416 4.136 11.965 1.00 0.00 C ATOM 408 O MET A 28 2.189 4.526 13.092 1.00 0.00 O ATOM 409 CB MET A 28 4.266 2.547 11.421 1.00 0.00 C ATOM 410 CG MET A 28 5.043 2.943 12.677 1.00 0.00 C ATOM 411 SD MET A 28 4.585 1.844 14.040 1.00 0.00 S ATOM 412 CE MET A 28 5.967 2.254 15.134 1.00 0.00 C ATOM 0 H MET A 28 2.570 2.068 9.647 1.00 0.00 H new ATOM 0 HA MET A 28 2.495 2.062 12.547 1.00 0.00 H new ATOM 0 HB2 MET A 28 4.511 1.524 11.137 1.00 0.00 H new ATOM 0 HB3 MET A 28 4.553 3.187 10.587 1.00 0.00 H new ATOM 0 HG2 MET A 28 6.115 2.880 12.489 1.00 0.00 H new ATOM 0 HG3 MET A 28 4.826 3.978 12.941 1.00 0.00 H new ATOM 0 HE1 MET A 28 5.884 1.678 16.056 1.00 0.00 H new ATOM 0 HE2 MET A 28 6.907 2.013 14.638 1.00 0.00 H new ATOM 0 HE3 MET A 28 5.943 3.318 15.367 1.00 0.00 H new ATOM 422 N PHE A 29 2.373 4.948 10.944 1.00 0.00 N ATOM 423 CA PHE A 29 2.040 6.386 11.148 1.00 0.00 C ATOM 424 C PHE A 29 0.623 6.506 11.714 1.00 0.00 C ATOM 425 O PHE A 29 0.433 6.752 12.889 1.00 0.00 O ATOM 426 CB PHE A 29 2.115 7.123 9.807 1.00 0.00 C ATOM 427 CG PHE A 29 3.559 7.391 9.457 1.00 0.00 C ATOM 428 CD1 PHE A 29 4.430 7.912 10.422 1.00 0.00 C ATOM 429 CD2 PHE A 29 4.027 7.121 8.165 1.00 0.00 C ATOM 430 CE1 PHE A 29 5.768 8.161 10.095 1.00 0.00 C ATOM 431 CE2 PHE A 29 5.365 7.369 7.838 1.00 0.00 C ATOM 432 CZ PHE A 29 6.235 7.890 8.803 1.00 0.00 C ATOM 0 H PHE A 29 2.554 4.677 9.977 1.00 0.00 H new ATOM 0 HA PHE A 29 2.751 6.827 11.847 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.646 6.526 9.025 1.00 0.00 H new ATOM 0 HB3 PHE A 29 1.564 8.062 9.865 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.069 8.122 11.418 1.00 0.00 H new ATOM 0 HD2 PHE A 29 3.355 6.721 7.420 1.00 0.00 H new ATOM 0 HE1 PHE A 29 6.440 8.562 10.839 1.00 0.00 H new ATOM 0 HE2 PHE A 29 5.726 7.159 6.842 1.00 0.00 H new ATOM 0 HZ PHE A 29 7.267 8.083 8.551 1.00 0.00 H new ATOM 442 N ASP A 30 -0.372 6.334 10.888 1.00 0.00 N ATOM 443 CA ASP A 30 -1.775 6.437 11.379 1.00 0.00 C ATOM 444 C ASP A 30 -2.089 5.240 12.278 1.00 0.00 C ATOM 445 O ASP A 30 -2.381 4.158 11.808 1.00 0.00 O ATOM 446 CB ASP A 30 -2.731 6.444 10.184 1.00 0.00 C ATOM 447 CG ASP A 30 -3.438 7.798 10.103 1.00 0.00 C ATOM 448 OD1 ASP A 30 -4.205 8.097 11.002 1.00 0.00 O ATOM 449 OD2 ASP A 30 -3.198 8.512 9.143 1.00 0.00 O ATOM 0 H ASP A 30 -0.274 6.127 9.894 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.896 7.359 11.948 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.180 6.254 9.263 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.465 5.644 10.287 1.00 0.00 H new ATOM 454 N ALA A 31 -2.030 5.422 13.569 1.00 0.00 N ATOM 455 CA ALA A 31 -2.322 4.293 14.497 1.00 0.00 C ATOM 456 C ALA A 31 -3.564 4.624 15.330 1.00 0.00 C ATOM 457 O ALA A 31 -4.369 3.765 15.629 1.00 0.00 O ATOM 458 CB ALA A 31 -1.127 4.075 15.427 1.00 0.00 C ATOM 0 H ALA A 31 -1.792 6.305 14.021 1.00 0.00 H new ATOM 0 HA ALA A 31 -2.503 3.386 13.920 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.340 3.249 16.106 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -0.243 3.839 14.834 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -0.945 4.982 16.004 1.00 0.00 H new ATOM 464 N ASP A 32 -3.724 5.863 15.710 1.00 0.00 N ATOM 465 CA ASP A 32 -4.911 6.245 16.525 1.00 0.00 C ATOM 466 C ASP A 32 -5.658 7.388 15.835 1.00 0.00 C ATOM 467 O ASP A 32 -6.055 8.351 16.463 1.00 0.00 O ATOM 468 CB ASP A 32 -4.453 6.700 17.912 1.00 0.00 C ATOM 469 CG ASP A 32 -5.309 6.023 18.985 1.00 0.00 C ATOM 470 OD1 ASP A 32 -6.177 5.246 18.621 1.00 0.00 O ATOM 471 OD2 ASP A 32 -5.083 6.294 20.153 1.00 0.00 O ATOM 0 H ASP A 32 -3.084 6.626 15.491 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.574 5.386 16.625 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -3.403 6.449 18.059 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -4.537 7.784 17.996 1.00 0.00 H new ATOM 476 N GLY A 33 -5.856 7.292 14.549 1.00 0.00 N ATOM 477 CA GLY A 33 -6.578 8.375 13.825 1.00 0.00 C ATOM 478 C GLY A 33 -7.551 7.756 12.819 1.00 0.00 C ATOM 479 O GLY A 33 -8.749 7.759 13.018 1.00 0.00 O ATOM 0 H GLY A 33 -5.549 6.511 13.969 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.120 9.002 14.533 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.866 9.019 13.309 1.00 0.00 H new ATOM 483 N GLY A 34 -7.044 7.226 11.739 1.00 0.00 N ATOM 484 CA GLY A 34 -7.941 6.607 10.723 1.00 0.00 C ATOM 485 C GLY A 34 -7.263 5.373 10.125 1.00 0.00 C ATOM 486 O GLY A 34 -7.829 4.298 10.090 1.00 0.00 O ATOM 0 H GLY A 34 -6.049 7.195 11.517 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.889 6.327 11.182 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.168 7.327 9.937 1.00 0.00 H new ATOM 490 N GLY A 35 -6.055 5.516 9.653 1.00 0.00 N ATOM 491 CA GLY A 35 -5.347 4.348 9.057 1.00 0.00 C ATOM 492 C GLY A 35 -5.041 4.630 7.585 1.00 0.00 C ATOM 493 O GLY A 35 -5.105 3.752 6.748 1.00 0.00 O ATOM 0 H GLY A 35 -5.528 6.390 9.654 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.422 4.154 9.601 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.962 3.453 9.146 1.00 0.00 H new ATOM 497 N ASP A 36 -4.712 5.851 7.264 1.00 0.00 N ATOM 498 CA ASP A 36 -4.403 6.190 5.846 1.00 0.00 C ATOM 499 C ASP A 36 -3.226 7.165 5.803 1.00 0.00 C ATOM 500 O ASP A 36 -2.954 7.869 6.756 1.00 0.00 O ATOM 501 CB ASP A 36 -5.629 6.841 5.203 1.00 0.00 C ATOM 502 CG ASP A 36 -6.869 5.998 5.508 1.00 0.00 C ATOM 503 OD1 ASP A 36 -7.077 5.015 4.817 1.00 0.00 O ATOM 504 OD2 ASP A 36 -7.589 6.353 6.427 1.00 0.00 O ATOM 0 H ASP A 36 -4.644 6.628 7.921 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.144 5.283 5.300 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.760 7.853 5.586 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.488 6.924 4.125 1.00 0.00 H new ATOM 509 N ILE A 37 -2.522 7.212 4.706 1.00 0.00 N ATOM 510 CA ILE A 37 -1.362 8.140 4.604 1.00 0.00 C ATOM 511 C ILE A 37 -1.565 9.073 3.409 1.00 0.00 C ATOM 512 O ILE A 37 -2.025 8.661 2.361 1.00 0.00 O ATOM 513 CB ILE A 37 -0.077 7.326 4.414 1.00 0.00 C ATOM 514 CG1 ILE A 37 -0.086 6.131 5.371 1.00 0.00 C ATOM 515 CG2 ILE A 37 1.139 8.206 4.715 1.00 0.00 C ATOM 516 CD1 ILE A 37 -1.000 5.036 4.816 1.00 0.00 C ATOM 0 H ILE A 37 -2.700 6.647 3.876 1.00 0.00 H new ATOM 0 HA ILE A 37 -1.282 8.733 5.515 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.023 6.972 3.385 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.926 5.745 5.497 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.433 6.444 6.356 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.051 7.625 4.579 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.148 9.059 4.036 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.085 8.561 5.744 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.005 4.186 5.498 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.013 5.425 4.713 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.634 4.716 3.841 1.00 0.00 H new ATOM 528 N SER A 38 -1.230 10.326 3.555 1.00 0.00 N ATOM 529 CA SER A 38 -1.408 11.281 2.425 1.00 0.00 C ATOM 530 C SER A 38 -0.407 10.949 1.317 1.00 0.00 C ATOM 531 O SER A 38 0.232 9.915 1.336 1.00 0.00 O ATOM 532 CB SER A 38 -1.173 12.709 2.920 1.00 0.00 C ATOM 533 OG SER A 38 0.223 12.947 3.026 1.00 0.00 O ATOM 0 H SER A 38 -0.841 10.729 4.407 1.00 0.00 H new ATOM 0 HA SER A 38 -2.422 11.198 2.034 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.624 13.423 2.231 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.652 12.854 3.888 1.00 0.00 H new ATOM 0 HG SER A 38 0.381 13.901 3.185 1.00 0.00 H new ATOM 539 N THR A 39 -0.268 11.813 0.350 1.00 0.00 N ATOM 540 CA THR A 39 0.689 11.541 -0.759 1.00 0.00 C ATOM 541 C THR A 39 2.121 11.787 -0.276 1.00 0.00 C ATOM 542 O THR A 39 2.972 10.924 -0.362 1.00 0.00 O ATOM 543 CB THR A 39 0.382 12.467 -1.937 1.00 0.00 C ATOM 544 OG1 THR A 39 0.325 13.810 -1.478 1.00 0.00 O ATOM 545 CG2 THR A 39 -0.961 12.079 -2.557 1.00 0.00 C ATOM 0 H THR A 39 -0.775 12.695 0.280 1.00 0.00 H new ATOM 0 HA THR A 39 0.588 10.503 -1.076 1.00 0.00 H new ATOM 0 HB THR A 39 1.166 12.373 -2.688 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.130 14.405 -2.232 1.00 0.00 H new ATOM 0 HG21 THR A 39 -1.179 12.740 -3.396 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.915 11.048 -2.909 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.748 12.172 -1.808 1.00 0.00 H new ATOM 553 N LYS A 40 2.396 12.959 0.230 1.00 0.00 N ATOM 554 CA LYS A 40 3.773 13.257 0.714 1.00 0.00 C ATOM 555 C LYS A 40 4.006 12.565 2.059 1.00 0.00 C ATOM 556 O LYS A 40 5.125 12.426 2.511 1.00 0.00 O ATOM 557 CB LYS A 40 3.938 14.769 0.882 1.00 0.00 C ATOM 558 CG LYS A 40 5.401 15.092 1.196 1.00 0.00 C ATOM 559 CD LYS A 40 5.469 16.014 2.414 1.00 0.00 C ATOM 560 CE LYS A 40 6.777 15.769 3.169 1.00 0.00 C ATOM 561 NZ LYS A 40 7.636 16.984 3.085 1.00 0.00 N ATOM 0 H LYS A 40 1.726 13.722 0.329 1.00 0.00 H new ATOM 0 HA LYS A 40 4.499 12.890 -0.011 1.00 0.00 H new ATOM 0 HB2 LYS A 40 3.629 15.283 -0.028 1.00 0.00 H new ATOM 0 HB3 LYS A 40 3.295 15.129 1.685 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.954 14.173 1.391 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.871 15.571 0.337 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.409 17.056 2.098 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.618 15.830 3.070 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.568 15.530 4.212 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.299 14.912 2.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.525 16.817 3.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.846 17.192 2.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.137 17.792 3.510 1.00 0.00 H new ATOM 575 N GLU A 41 2.959 12.128 2.703 1.00 0.00 N ATOM 576 CA GLU A 41 3.126 11.443 4.016 1.00 0.00 C ATOM 577 C GLU A 41 3.626 10.018 3.781 1.00 0.00 C ATOM 578 O GLU A 41 4.442 9.507 4.522 1.00 0.00 O ATOM 579 CB GLU A 41 1.783 11.404 4.748 1.00 0.00 C ATOM 580 CG GLU A 41 1.578 12.718 5.507 1.00 0.00 C ATOM 581 CD GLU A 41 1.625 12.453 7.012 1.00 0.00 C ATOM 582 OE1 GLU A 41 1.362 11.327 7.405 1.00 0.00 O ATOM 583 OE2 GLU A 41 1.923 13.379 7.749 1.00 0.00 O ATOM 0 H GLU A 41 1.996 12.215 2.378 1.00 0.00 H new ATOM 0 HA GLU A 41 3.849 11.987 4.623 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.972 11.253 4.035 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.759 10.563 5.441 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.351 13.435 5.229 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.620 13.161 5.235 1.00 0.00 H new ATOM 590 N LEU A 42 3.148 9.373 2.753 1.00 0.00 N ATOM 591 CA LEU A 42 3.604 7.984 2.469 1.00 0.00 C ATOM 592 C LEU A 42 4.966 8.034 1.770 1.00 0.00 C ATOM 593 O LEU A 42 5.784 7.149 1.918 1.00 0.00 O ATOM 594 CB LEU A 42 2.582 7.279 1.571 1.00 0.00 C ATOM 595 CG LEU A 42 2.731 7.768 0.128 1.00 0.00 C ATOM 596 CD1 LEU A 42 3.687 6.842 -0.628 1.00 0.00 C ATOM 597 CD2 LEU A 42 1.364 7.753 -0.559 1.00 0.00 C ATOM 0 H LEU A 42 2.462 9.748 2.098 1.00 0.00 H new ATOM 0 HA LEU A 42 3.696 7.430 3.403 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.729 6.200 1.615 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.572 7.478 1.929 1.00 0.00 H new ATOM 0 HG LEU A 42 3.129 8.783 0.128 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.794 7.190 -1.656 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.662 6.848 -0.140 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.288 5.828 -0.628 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.469 8.101 -1.587 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.968 6.738 -0.559 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.680 8.410 -0.022 1.00 0.00 H new ATOM 609 N GLY A 43 5.214 9.067 1.010 1.00 0.00 N ATOM 610 CA GLY A 43 6.522 9.176 0.303 1.00 0.00 C ATOM 611 C GLY A 43 7.647 9.328 1.329 1.00 0.00 C ATOM 612 O GLY A 43 8.807 9.145 1.019 1.00 0.00 O ATOM 0 H GLY A 43 4.568 9.839 0.849 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.691 8.290 -0.309 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.512 10.032 -0.371 1.00 0.00 H new ATOM 616 N THR A 44 7.314 9.657 2.548 1.00 0.00 N ATOM 617 CA THR A 44 8.370 9.814 3.589 1.00 0.00 C ATOM 618 C THR A 44 8.966 8.443 3.909 1.00 0.00 C ATOM 619 O THR A 44 10.123 8.322 4.260 1.00 0.00 O ATOM 620 CB THR A 44 7.761 10.411 4.860 1.00 0.00 C ATOM 621 OG1 THR A 44 6.437 10.851 4.591 1.00 0.00 O ATOM 622 CG2 THR A 44 8.610 11.595 5.325 1.00 0.00 C ATOM 0 H THR A 44 6.360 9.823 2.867 1.00 0.00 H new ATOM 0 HA THR A 44 9.149 10.480 3.217 1.00 0.00 H new ATOM 0 HB THR A 44 7.738 9.652 5.642 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.800 10.162 4.872 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.176 12.020 6.230 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.625 11.256 5.533 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.635 12.354 4.543 1.00 0.00 H new ATOM 630 N VAL A 45 8.183 7.406 3.784 1.00 0.00 N ATOM 631 CA VAL A 45 8.699 6.042 4.071 1.00 0.00 C ATOM 632 C VAL A 45 9.618 5.613 2.927 1.00 0.00 C ATOM 633 O VAL A 45 10.598 4.923 3.126 1.00 0.00 O ATOM 634 CB VAL A 45 7.522 5.067 4.199 1.00 0.00 C ATOM 635 CG1 VAL A 45 7.001 4.686 2.810 1.00 0.00 C ATOM 636 CG2 VAL A 45 7.983 3.804 4.931 1.00 0.00 C ATOM 0 H VAL A 45 7.206 7.447 3.495 1.00 0.00 H new ATOM 0 HA VAL A 45 9.259 6.040 5.006 1.00 0.00 H new ATOM 0 HB VAL A 45 6.722 5.548 4.762 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.166 3.993 2.912 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.667 5.583 2.288 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.799 4.210 2.240 1.00 0.00 H new ATOM 0 HG21 VAL A 45 7.147 3.111 5.022 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.787 3.330 4.368 1.00 0.00 H new ATOM 0 HG23 VAL A 45 8.344 4.070 5.925 1.00 0.00 H new ATOM 646 N MET A 46 9.311 6.032 1.730 1.00 0.00 N ATOM 647 CA MET A 46 10.167 5.668 0.568 1.00 0.00 C ATOM 648 C MET A 46 11.395 6.574 0.563 1.00 0.00 C ATOM 649 O MET A 46 12.432 6.235 0.027 1.00 0.00 O ATOM 650 CB MET A 46 9.381 5.863 -0.730 1.00 0.00 C ATOM 651 CG MET A 46 9.073 4.500 -1.353 1.00 0.00 C ATOM 652 SD MET A 46 7.466 4.565 -2.184 1.00 0.00 S ATOM 653 CE MET A 46 6.445 4.643 -0.693 1.00 0.00 C ATOM 0 H MET A 46 8.502 6.612 1.507 1.00 0.00 H new ATOM 0 HA MET A 46 10.474 4.625 0.645 1.00 0.00 H new ATOM 0 HB2 MET A 46 8.454 6.400 -0.529 1.00 0.00 H new ATOM 0 HB3 MET A 46 9.957 6.471 -1.428 1.00 0.00 H new ATOM 0 HG2 MET A 46 9.852 4.230 -2.066 1.00 0.00 H new ATOM 0 HG3 MET A 46 9.065 3.729 -0.582 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.399 4.494 -0.960 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.757 3.864 0.002 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.563 5.619 -0.222 1.00 0.00 H new ATOM 663 N ARG A 47 11.285 7.727 1.166 1.00 0.00 N ATOM 664 CA ARG A 47 12.441 8.661 1.209 1.00 0.00 C ATOM 665 C ARG A 47 13.561 8.024 2.030 1.00 0.00 C ATOM 666 O ARG A 47 14.729 8.286 1.817 1.00 0.00 O ATOM 667 CB ARG A 47 12.010 9.978 1.862 1.00 0.00 C ATOM 668 CG ARG A 47 13.203 10.933 1.918 1.00 0.00 C ATOM 669 CD ARG A 47 13.519 11.274 3.377 1.00 0.00 C ATOM 670 NE ARG A 47 14.877 10.765 3.720 1.00 0.00 N ATOM 671 CZ ARG A 47 15.839 11.604 3.992 1.00 0.00 C ATOM 672 NH1 ARG A 47 15.862 12.220 5.142 1.00 0.00 N ATOM 673 NH2 ARG A 47 16.781 11.824 3.114 1.00 0.00 N ATOM 0 H ARG A 47 10.441 8.061 1.631 1.00 0.00 H new ATOM 0 HA ARG A 47 12.794 8.862 0.197 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.196 10.429 1.294 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.632 9.791 2.867 1.00 0.00 H new ATOM 0 HG2 ARG A 47 14.071 10.475 1.445 1.00 0.00 H new ATOM 0 HG3 ARG A 47 12.980 11.843 1.361 1.00 0.00 H new ATOM 0 HD2 ARG A 47 13.474 12.353 3.528 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.774 10.828 4.036 1.00 0.00 H new ATOM 0 HE ARG A 47 15.055 9.761 3.742 1.00 0.00 H new ATOM 0 HH11 ARG A 47 15.128 12.046 5.829 1.00 0.00 H new ATOM 0 HH12 ARG A 47 16.614 12.876 5.354 1.00 0.00 H new ATOM 0 HH21 ARG A 47 16.764 11.340 2.216 1.00 0.00 H new ATOM 0 HH22 ARG A 47 17.533 12.480 3.326 1.00 0.00 H new ATOM 687 N MET A 48 13.214 7.186 2.968 1.00 0.00 N ATOM 688 CA MET A 48 14.258 6.528 3.801 1.00 0.00 C ATOM 689 C MET A 48 15.263 5.817 2.892 1.00 0.00 C ATOM 690 O MET A 48 16.299 6.355 2.554 1.00 0.00 O ATOM 691 CB MET A 48 13.601 5.504 4.730 1.00 0.00 C ATOM 692 CG MET A 48 12.692 6.226 5.727 1.00 0.00 C ATOM 693 SD MET A 48 11.423 5.081 6.320 1.00 0.00 S ATOM 694 CE MET A 48 11.196 5.824 7.953 1.00 0.00 C ATOM 0 H MET A 48 12.253 6.929 3.193 1.00 0.00 H new ATOM 0 HA MET A 48 14.774 7.281 4.396 1.00 0.00 H new ATOM 0 HB2 MET A 48 13.022 4.788 4.147 1.00 0.00 H new ATOM 0 HB3 MET A 48 14.365 4.938 5.263 1.00 0.00 H new ATOM 0 HG2 MET A 48 13.279 6.602 6.565 1.00 0.00 H new ATOM 0 HG3 MET A 48 12.226 7.089 5.252 1.00 0.00 H new ATOM 0 HE1 MET A 48 10.440 5.265 8.505 1.00 0.00 H new ATOM 0 HE2 MET A 48 12.139 5.796 8.499 1.00 0.00 H new ATOM 0 HE3 MET A 48 10.872 6.859 7.840 1.00 0.00 H new ATOM 704 N LEU A 49 14.964 4.611 2.493 1.00 0.00 N ATOM 705 CA LEU A 49 15.899 3.865 1.605 1.00 0.00 C ATOM 706 C LEU A 49 15.559 4.162 0.143 1.00 0.00 C ATOM 707 O LEU A 49 15.119 3.297 -0.589 1.00 0.00 O ATOM 708 CB LEU A 49 15.760 2.363 1.867 1.00 0.00 C ATOM 709 CG LEU A 49 14.307 1.939 1.645 1.00 0.00 C ATOM 710 CD1 LEU A 49 14.269 0.656 0.813 1.00 0.00 C ATOM 711 CD2 LEU A 49 13.638 1.687 2.998 1.00 0.00 C ATOM 0 H LEU A 49 14.112 4.110 2.744 1.00 0.00 H new ATOM 0 HA LEU A 49 16.923 4.177 1.810 1.00 0.00 H new ATOM 0 HB2 LEU A 49 16.419 1.805 1.202 1.00 0.00 H new ATOM 0 HB3 LEU A 49 16.066 2.131 2.887 1.00 0.00 H new ATOM 0 HG LEU A 49 13.776 2.730 1.116 1.00 0.00 H new ATOM 0 HD11 LEU A 49 13.233 0.355 0.656 1.00 0.00 H new ATOM 0 HD12 LEU A 49 14.746 0.833 -0.151 1.00 0.00 H new ATOM 0 HD13 LEU A 49 14.801 -0.136 1.341 1.00 0.00 H new ATOM 0 HD21 LEU A 49 12.603 1.385 2.841 1.00 0.00 H new ATOM 0 HD22 LEU A 49 14.171 0.896 3.526 1.00 0.00 H new ATOM 0 HD23 LEU A 49 13.663 2.600 3.592 1.00 0.00 H new ATOM 723 N GLY A 50 15.757 5.378 -0.288 1.00 0.00 N ATOM 724 CA GLY A 50 15.442 5.726 -1.704 1.00 0.00 C ATOM 725 C GLY A 50 15.941 7.141 -2.010 1.00 0.00 C ATOM 726 O GLY A 50 17.124 7.413 -1.982 1.00 0.00 O ATOM 0 H GLY A 50 16.122 6.144 0.277 1.00 0.00 H new ATOM 0 HA2 GLY A 50 15.913 5.010 -2.378 1.00 0.00 H new ATOM 0 HA3 GLY A 50 14.367 5.664 -1.873 1.00 0.00 H new ATOM 730 N GLN A 51 15.044 8.042 -2.305 1.00 0.00 N ATOM 731 CA GLN A 51 15.456 9.442 -2.616 1.00 0.00 C ATOM 732 C GLN A 51 14.380 10.377 -2.101 1.00 0.00 C ATOM 733 O GLN A 51 13.223 10.011 -2.053 1.00 0.00 O ATOM 734 CB GLN A 51 15.552 9.645 -4.132 1.00 0.00 C ATOM 735 CG GLN A 51 15.428 8.306 -4.866 1.00 0.00 C ATOM 736 CD GLN A 51 15.933 8.461 -6.301 1.00 0.00 C ATOM 737 OE1 GLN A 51 16.880 9.181 -6.550 1.00 0.00 O ATOM 738 NE2 GLN A 51 15.336 7.813 -7.263 1.00 0.00 N ATOM 0 H GLN A 51 14.040 7.869 -2.344 1.00 0.00 H new ATOM 0 HA GLN A 51 16.423 9.640 -2.154 1.00 0.00 H new ATOM 0 HB2 GLN A 51 14.765 10.322 -4.464 1.00 0.00 H new ATOM 0 HB3 GLN A 51 16.503 10.116 -4.382 1.00 0.00 H new ATOM 0 HG2 GLN A 51 16.005 7.540 -4.347 1.00 0.00 H new ATOM 0 HG3 GLN A 51 14.389 7.976 -4.869 1.00 0.00 H new ATOM 0 HE21 GLN A 51 14.541 7.209 -7.054 1.00 0.00 H new ATOM 0 HE22 GLN A 51 15.664 7.911 -8.224 1.00 0.00 H new ATOM 747 N ASN A 52 14.703 11.587 -1.740 1.00 0.00 N ATOM 748 CA ASN A 52 13.597 12.449 -1.286 1.00 0.00 C ATOM 749 C ASN A 52 12.692 12.636 -2.504 1.00 0.00 C ATOM 750 O ASN A 52 13.158 13.026 -3.555 1.00 0.00 O ATOM 751 CB ASN A 52 14.144 13.807 -0.841 1.00 0.00 C ATOM 752 CG ASN A 52 15.296 13.600 0.143 1.00 0.00 C ATOM 753 OD1 ASN A 52 15.088 13.552 1.339 1.00 0.00 O ATOM 754 ND2 ASN A 52 16.513 13.473 -0.312 1.00 0.00 N ATOM 0 H ASN A 52 15.638 11.995 -1.740 1.00 0.00 H new ATOM 0 HA ASN A 52 13.063 12.009 -0.444 1.00 0.00 H new ATOM 0 HB2 ASN A 52 14.489 14.372 -1.707 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.353 14.393 -0.372 1.00 0.00 H new ATOM 0 HD21 ASN A 52 17.288 13.334 0.336 1.00 0.00 H new ATOM 0 HD22 ASN A 52 16.689 13.513 -1.316 1.00 0.00 H new ATOM 761 N PRO A 53 11.431 12.363 -2.337 1.00 0.00 N ATOM 762 CA PRO A 53 10.450 12.500 -3.416 1.00 0.00 C ATOM 763 C PRO A 53 9.770 13.872 -3.354 1.00 0.00 C ATOM 764 O PRO A 53 10.153 14.733 -2.588 1.00 0.00 O ATOM 765 CB PRO A 53 9.453 11.389 -3.090 1.00 0.00 C ATOM 766 CG PRO A 53 9.589 11.113 -1.568 1.00 0.00 C ATOM 767 CD PRO A 53 10.867 11.820 -1.094 1.00 0.00 C ATOM 0 HA PRO A 53 10.880 12.425 -4.415 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.437 11.693 -3.341 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.669 10.491 -3.669 1.00 0.00 H new ATOM 0 HG2 PRO A 53 8.719 11.488 -1.029 1.00 0.00 H new ATOM 0 HG3 PRO A 53 9.647 10.042 -1.374 1.00 0.00 H new ATOM 0 HD2 PRO A 53 10.648 12.608 -0.373 1.00 0.00 H new ATOM 0 HD3 PRO A 53 11.554 11.127 -0.609 1.00 0.00 H new ATOM 775 N THR A 54 8.754 14.071 -4.148 1.00 0.00 N ATOM 776 CA THR A 54 8.034 15.379 -4.134 1.00 0.00 C ATOM 777 C THR A 54 6.612 15.153 -3.690 1.00 0.00 C ATOM 778 O THR A 54 6.286 14.167 -3.059 1.00 0.00 O ATOM 779 CB THR A 54 8.008 16.004 -5.535 1.00 0.00 C ATOM 780 OG1 THR A 54 6.749 15.768 -6.155 1.00 0.00 O ATOM 781 CG2 THR A 54 9.088 15.380 -6.383 1.00 0.00 C ATOM 0 H THR A 54 8.390 13.384 -4.808 1.00 0.00 H new ATOM 0 HA THR A 54 8.554 16.051 -3.452 1.00 0.00 H new ATOM 0 HB THR A 54 8.173 17.077 -5.443 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.423 16.599 -6.560 1.00 0.00 H new ATOM 0 HG21 THR A 54 9.070 15.823 -7.379 1.00 0.00 H new ATOM 0 HG22 THR A 54 10.060 15.558 -5.923 1.00 0.00 H new ATOM 0 HG23 THR A 54 8.915 14.307 -6.461 1.00 0.00 H new ATOM 789 N LYS A 55 5.762 16.066 -4.016 1.00 0.00 N ATOM 790 CA LYS A 55 4.363 15.918 -3.618 1.00 0.00 C ATOM 791 C LYS A 55 3.579 15.198 -4.709 1.00 0.00 C ATOM 792 O LYS A 55 2.688 14.417 -4.436 1.00 0.00 O ATOM 793 CB LYS A 55 3.779 17.299 -3.366 1.00 0.00 C ATOM 794 CG LYS A 55 3.366 17.962 -4.686 1.00 0.00 C ATOM 795 CD LYS A 55 2.592 19.247 -4.386 1.00 0.00 C ATOM 796 CE LYS A 55 1.155 18.897 -3.997 1.00 0.00 C ATOM 797 NZ LYS A 55 0.254 20.036 -4.336 1.00 0.00 N ATOM 0 H LYS A 55 5.981 16.911 -4.544 1.00 0.00 H new ATOM 0 HA LYS A 55 4.298 15.323 -2.707 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.914 17.219 -2.707 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.513 17.922 -2.854 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.248 18.187 -5.285 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.749 17.280 -5.271 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.076 19.795 -3.578 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.595 19.899 -5.260 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.834 17.997 -4.522 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.099 18.680 -2.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.723 19.797 -4.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.556 20.884 -3.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.300 20.222 -5.358 1.00 0.00 H new ATOM 811 N GLU A 56 3.890 15.464 -5.942 1.00 0.00 N ATOM 812 CA GLU A 56 3.145 14.805 -7.040 1.00 0.00 C ATOM 813 C GLU A 56 3.720 13.407 -7.287 1.00 0.00 C ATOM 814 O GLU A 56 3.078 12.555 -7.868 1.00 0.00 O ATOM 815 CB GLU A 56 3.265 15.640 -8.315 1.00 0.00 C ATOM 816 CG GLU A 56 4.743 15.837 -8.659 1.00 0.00 C ATOM 817 CD GLU A 56 5.061 17.333 -8.706 1.00 0.00 C ATOM 818 OE1 GLU A 56 4.276 18.102 -8.176 1.00 0.00 O ATOM 819 OE2 GLU A 56 6.082 17.684 -9.273 1.00 0.00 O ATOM 0 H GLU A 56 4.625 16.107 -6.235 1.00 0.00 H new ATOM 0 HA GLU A 56 2.095 14.719 -6.761 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.752 15.142 -9.138 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.781 16.607 -8.176 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.369 15.344 -7.915 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.968 15.376 -9.621 1.00 0.00 H new ATOM 826 N GLU A 57 4.928 13.168 -6.853 1.00 0.00 N ATOM 827 CA GLU A 57 5.547 11.828 -7.067 1.00 0.00 C ATOM 828 C GLU A 57 4.712 10.756 -6.366 1.00 0.00 C ATOM 829 O GLU A 57 4.538 9.663 -6.870 1.00 0.00 O ATOM 830 CB GLU A 57 6.966 11.825 -6.492 1.00 0.00 C ATOM 831 CG GLU A 57 7.606 10.454 -6.719 1.00 0.00 C ATOM 832 CD GLU A 57 9.063 10.637 -7.149 1.00 0.00 C ATOM 833 OE1 GLU A 57 9.304 11.457 -8.018 1.00 0.00 O ATOM 834 OE2 GLU A 57 9.912 9.953 -6.600 1.00 0.00 O ATOM 0 H GLU A 57 5.513 13.842 -6.360 1.00 0.00 H new ATOM 0 HA GLU A 57 5.585 11.615 -8.135 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.565 12.601 -6.969 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.939 12.053 -5.427 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.557 9.862 -5.805 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.056 9.906 -7.484 1.00 0.00 H new ATOM 841 N LEU A 58 4.191 11.057 -5.207 1.00 0.00 N ATOM 842 CA LEU A 58 3.368 10.052 -4.478 1.00 0.00 C ATOM 843 C LEU A 58 1.913 10.155 -4.939 1.00 0.00 C ATOM 844 O LEU A 58 1.126 9.250 -4.751 1.00 0.00 O ATOM 845 CB LEU A 58 3.443 10.321 -2.973 1.00 0.00 C ATOM 846 CG LEU A 58 4.895 10.212 -2.500 1.00 0.00 C ATOM 847 CD1 LEU A 58 5.534 8.948 -3.081 1.00 0.00 C ATOM 848 CD2 LEU A 58 5.678 11.440 -2.972 1.00 0.00 C ATOM 0 H LEU A 58 4.300 11.954 -4.735 1.00 0.00 H new ATOM 0 HA LEU A 58 3.749 9.052 -4.688 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.052 11.314 -2.752 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.821 9.606 -2.435 1.00 0.00 H new ATOM 0 HG LEU A 58 4.916 10.160 -1.411 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.567 8.874 -2.742 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.978 8.072 -2.746 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.512 8.997 -4.170 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.712 11.364 -2.636 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.653 11.491 -4.061 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.227 12.341 -2.556 1.00 0.00 H new ATOM 860 N ASP A 59 1.548 11.255 -5.540 1.00 0.00 N ATOM 861 CA ASP A 59 0.144 11.415 -6.008 1.00 0.00 C ATOM 862 C ASP A 59 -0.079 10.565 -7.261 1.00 0.00 C ATOM 863 O ASP A 59 -1.167 10.086 -7.509 1.00 0.00 O ATOM 864 CB ASP A 59 -0.122 12.886 -6.335 1.00 0.00 C ATOM 865 CG ASP A 59 -1.610 13.187 -6.154 1.00 0.00 C ATOM 866 OD1 ASP A 59 -2.284 12.385 -5.529 1.00 0.00 O ATOM 867 OD2 ASP A 59 -2.050 14.214 -6.645 1.00 0.00 O ATOM 0 H ASP A 59 2.162 12.048 -5.726 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.538 11.089 -5.223 1.00 0.00 H new ATOM 0 HB2 ASP A 59 0.472 13.528 -5.684 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.182 13.103 -7.359 1.00 0.00 H new ATOM 872 N ALA A 60 0.942 10.374 -8.051 1.00 0.00 N ATOM 873 CA ALA A 60 0.787 9.554 -9.286 1.00 0.00 C ATOM 874 C ALA A 60 0.703 8.075 -8.909 1.00 0.00 C ATOM 875 O ALA A 60 -0.253 7.397 -9.228 1.00 0.00 O ATOM 876 CB ALA A 60 1.993 9.781 -10.202 1.00 0.00 C ATOM 0 H ALA A 60 1.877 10.750 -7.895 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.125 9.847 -9.806 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.881 9.182 -11.106 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.052 10.836 -10.471 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.905 9.487 -9.682 1.00 0.00 H new ATOM 882 N ILE A 61 1.698 7.569 -8.235 1.00 0.00 N ATOM 883 CA ILE A 61 1.669 6.127 -7.839 1.00 0.00 C ATOM 884 C ILE A 61 0.415 5.852 -7.012 1.00 0.00 C ATOM 885 O ILE A 61 -0.317 4.917 -7.268 1.00 0.00 O ATOM 886 CB ILE A 61 2.898 5.749 -6.996 1.00 0.00 C ATOM 887 CG1 ILE A 61 3.604 7.001 -6.467 1.00 0.00 C ATOM 888 CG2 ILE A 61 3.870 4.944 -7.854 1.00 0.00 C ATOM 889 CD1 ILE A 61 4.588 6.605 -5.364 1.00 0.00 C ATOM 0 H ILE A 61 2.527 8.085 -7.941 1.00 0.00 H new ATOM 0 HA ILE A 61 1.672 5.531 -8.752 1.00 0.00 H new ATOM 0 HB ILE A 61 2.566 5.153 -6.146 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.133 7.503 -7.277 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.871 7.708 -6.078 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.743 4.674 -7.259 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.378 4.038 -8.208 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.184 5.544 -8.708 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.090 7.496 -4.988 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.047 6.122 -4.550 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.328 5.914 -5.768 1.00 0.00 H new ATOM 901 N ILE A 62 0.170 6.650 -6.011 1.00 0.00 N ATOM 902 CA ILE A 62 -1.027 6.421 -5.161 1.00 0.00 C ATOM 903 C ILE A 62 -2.298 6.766 -5.946 1.00 0.00 C ATOM 904 O ILE A 62 -3.399 6.487 -5.518 1.00 0.00 O ATOM 905 CB ILE A 62 -0.934 7.292 -3.898 1.00 0.00 C ATOM 906 CG1 ILE A 62 -1.781 6.657 -2.793 1.00 0.00 C ATOM 907 CG2 ILE A 62 -1.444 8.711 -4.187 1.00 0.00 C ATOM 908 CD1 ILE A 62 -2.002 7.666 -1.666 1.00 0.00 C ATOM 0 H ILE A 62 0.746 7.449 -5.746 1.00 0.00 H new ATOM 0 HA ILE A 62 -1.068 5.371 -4.870 1.00 0.00 H new ATOM 0 HB ILE A 62 0.107 7.355 -3.581 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.740 6.334 -3.198 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.283 5.768 -2.405 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.371 9.315 -3.283 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.839 9.162 -4.974 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -2.484 8.665 -4.510 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.606 7.209 -0.882 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.039 7.968 -1.254 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.519 8.542 -2.058 1.00 0.00 H new ATOM 920 N GLU A 63 -2.149 7.379 -7.086 1.00 0.00 N ATOM 921 CA GLU A 63 -3.340 7.754 -7.905 1.00 0.00 C ATOM 922 C GLU A 63 -4.145 6.506 -8.277 1.00 0.00 C ATOM 923 O GLU A 63 -5.353 6.476 -8.150 1.00 0.00 O ATOM 924 CB GLU A 63 -2.877 8.450 -9.187 1.00 0.00 C ATOM 925 CG GLU A 63 -3.858 9.568 -9.541 1.00 0.00 C ATOM 926 CD GLU A 63 -5.193 8.956 -9.972 1.00 0.00 C ATOM 927 OE1 GLU A 63 -5.283 8.521 -11.109 1.00 0.00 O ATOM 928 OE2 GLU A 63 -6.101 8.931 -9.158 1.00 0.00 O ATOM 0 H GLU A 63 -1.249 7.639 -7.490 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.970 8.425 -7.321 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.876 8.859 -9.050 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.818 7.730 -10.004 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.006 10.222 -8.682 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.451 10.183 -10.344 1.00 0.00 H new ATOM 935 N GLU A 64 -3.489 5.484 -8.752 1.00 0.00 N ATOM 936 CA GLU A 64 -4.221 4.247 -9.154 1.00 0.00 C ATOM 937 C GLU A 64 -4.769 3.524 -7.919 1.00 0.00 C ATOM 938 O GLU A 64 -5.441 2.517 -8.031 1.00 0.00 O ATOM 939 CB GLU A 64 -3.266 3.315 -9.903 1.00 0.00 C ATOM 940 CG GLU A 64 -2.066 2.988 -9.012 1.00 0.00 C ATOM 941 CD GLU A 64 -0.775 3.376 -9.732 1.00 0.00 C ATOM 942 OE1 GLU A 64 -0.832 4.251 -10.579 1.00 0.00 O ATOM 943 OE2 GLU A 64 0.251 2.790 -9.424 1.00 0.00 O ATOM 0 H GLU A 64 -2.478 5.450 -8.880 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.055 4.525 -9.799 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.783 2.398 -10.185 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -2.929 3.788 -10.826 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.144 3.526 -8.067 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.056 1.925 -8.773 1.00 0.00 H new ATOM 950 N VAL A 65 -4.489 4.016 -6.745 1.00 0.00 N ATOM 951 CA VAL A 65 -5.000 3.337 -5.520 1.00 0.00 C ATOM 952 C VAL A 65 -6.028 4.228 -4.816 1.00 0.00 C ATOM 953 O VAL A 65 -6.821 3.763 -4.021 1.00 0.00 O ATOM 954 CB VAL A 65 -3.836 3.050 -4.572 1.00 0.00 C ATOM 955 CG1 VAL A 65 -4.198 1.872 -3.667 1.00 0.00 C ATOM 956 CG2 VAL A 65 -2.590 2.703 -5.390 1.00 0.00 C ATOM 0 H VAL A 65 -3.932 4.854 -6.580 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.478 2.400 -5.805 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.636 3.930 -3.960 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.369 1.665 -2.990 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.088 2.119 -3.087 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.396 0.991 -4.278 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.758 2.498 -4.716 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.789 1.822 -6.000 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.334 3.542 -6.037 1.00 0.00 H new ATOM 966 N ASP A 66 -6.022 5.504 -5.095 1.00 0.00 N ATOM 967 CA ASP A 66 -7.002 6.411 -4.434 1.00 0.00 C ATOM 968 C ASP A 66 -8.206 6.623 -5.355 1.00 0.00 C ATOM 969 O ASP A 66 -8.464 7.718 -5.813 1.00 0.00 O ATOM 970 CB ASP A 66 -6.338 7.759 -4.142 1.00 0.00 C ATOM 971 CG ASP A 66 -5.644 8.275 -5.403 1.00 0.00 C ATOM 972 OD1 ASP A 66 -6.305 8.368 -6.425 1.00 0.00 O ATOM 973 OD2 ASP A 66 -4.463 8.568 -5.326 1.00 0.00 O ATOM 0 H ASP A 66 -5.383 5.955 -5.750 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.336 5.962 -3.499 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.085 8.478 -3.806 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.614 7.651 -3.335 1.00 0.00 H new ATOM 978 N GLU A 67 -8.946 5.583 -5.628 1.00 0.00 N ATOM 979 CA GLU A 67 -10.132 5.728 -6.519 1.00 0.00 C ATOM 980 C GLU A 67 -10.957 6.936 -6.074 1.00 0.00 C ATOM 981 O GLU A 67 -11.293 7.794 -6.866 1.00 0.00 O ATOM 982 CB GLU A 67 -10.993 4.465 -6.438 1.00 0.00 C ATOM 983 CG GLU A 67 -11.247 4.106 -4.973 1.00 0.00 C ATOM 984 CD GLU A 67 -11.528 2.607 -4.858 1.00 0.00 C ATOM 985 OE1 GLU A 67 -10.598 1.835 -5.024 1.00 0.00 O ATOM 986 OE2 GLU A 67 -12.668 2.255 -4.606 1.00 0.00 O ATOM 0 H GLU A 67 -8.781 4.641 -5.273 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.798 5.872 -7.546 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.940 4.626 -6.952 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.492 3.639 -6.943 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.381 4.372 -4.367 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.093 4.676 -4.589 1.00 0.00 H new ATOM 993 N ASP A 68 -11.284 7.011 -4.814 1.00 0.00 N ATOM 994 CA ASP A 68 -12.086 8.166 -4.319 1.00 0.00 C ATOM 995 C ASP A 68 -11.534 9.461 -4.917 1.00 0.00 C ATOM 996 O ASP A 68 -12.206 10.150 -5.658 1.00 0.00 O ATOM 997 CB ASP A 68 -11.997 8.233 -2.792 1.00 0.00 C ATOM 998 CG ASP A 68 -13.178 9.039 -2.249 1.00 0.00 C ATOM 999 OD1 ASP A 68 -14.282 8.824 -2.721 1.00 0.00 O ATOM 1000 OD2 ASP A 68 -12.958 9.855 -1.370 1.00 0.00 O ATOM 0 H ASP A 68 -11.031 6.323 -4.105 1.00 0.00 H new ATOM 0 HA ASP A 68 -13.127 8.040 -4.617 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -12.005 7.227 -2.372 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -11.057 8.697 -2.491 1.00 0.00 H new ATOM 1005 N GLY A 69 -10.315 9.796 -4.597 1.00 0.00 N ATOM 1006 CA GLY A 69 -9.719 11.047 -5.143 1.00 0.00 C ATOM 1007 C GLY A 69 -9.167 11.890 -3.993 1.00 0.00 C ATOM 1008 O GLY A 69 -9.378 13.086 -3.930 1.00 0.00 O ATOM 0 H GLY A 69 -9.706 9.258 -3.981 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -8.923 10.806 -5.847 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -10.472 11.611 -5.694 1.00 0.00 H new ATOM 1012 N SER A 70 -8.462 11.279 -3.080 1.00 0.00 N ATOM 1013 CA SER A 70 -7.900 12.048 -1.936 1.00 0.00 C ATOM 1014 C SER A 70 -6.372 11.959 -1.964 1.00 0.00 C ATOM 1015 O SER A 70 -5.684 12.776 -1.385 1.00 0.00 O ATOM 1016 CB SER A 70 -8.424 11.466 -0.622 1.00 0.00 C ATOM 1017 OG SER A 70 -8.819 10.116 -0.829 1.00 0.00 O ATOM 0 H SER A 70 -8.252 10.281 -3.078 1.00 0.00 H new ATOM 0 HA SER A 70 -8.204 13.092 -2.015 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.651 11.517 0.145 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.269 12.053 -0.263 1.00 0.00 H new ATOM 0 HG SER A 70 -9.154 9.740 0.012 1.00 0.00 H new ATOM 1023 N GLY A 71 -5.836 10.977 -2.637 1.00 0.00 N ATOM 1024 CA GLY A 71 -4.353 10.842 -2.705 1.00 0.00 C ATOM 1025 C GLY A 71 -3.838 10.174 -1.428 1.00 0.00 C ATOM 1026 O GLY A 71 -2.757 10.467 -0.956 1.00 0.00 O ATOM 0 H GLY A 71 -6.361 10.263 -3.142 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.071 10.250 -3.576 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.894 11.823 -2.825 1.00 0.00 H new ATOM 1030 N THR A 72 -4.602 9.277 -0.867 1.00 0.00 N ATOM 1031 CA THR A 72 -4.154 8.589 0.381 1.00 0.00 C ATOM 1032 C THR A 72 -4.542 7.110 0.304 1.00 0.00 C ATOM 1033 O THR A 72 -5.256 6.694 -0.586 1.00 0.00 O ATOM 1034 CB THR A 72 -4.817 9.234 1.613 1.00 0.00 C ATOM 1035 OG1 THR A 72 -5.688 8.299 2.233 1.00 0.00 O ATOM 1036 CG2 THR A 72 -5.617 10.472 1.196 1.00 0.00 C ATOM 0 H THR A 72 -5.516 8.990 -1.217 1.00 0.00 H new ATOM 0 HA THR A 72 -3.072 8.684 0.476 1.00 0.00 H new ATOM 0 HB THR A 72 -4.038 9.531 2.315 1.00 0.00 H new ATOM 0 HG1 THR A 72 -6.107 8.712 3.017 1.00 0.00 H new ATOM 0 HG21 THR A 72 -6.081 10.919 2.075 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.949 11.197 0.730 1.00 0.00 H new ATOM 0 HG23 THR A 72 -6.391 10.183 0.485 1.00 0.00 H new ATOM 1044 N ILE A 73 -4.077 6.312 1.225 1.00 0.00 N ATOM 1045 CA ILE A 73 -4.425 4.864 1.190 1.00 0.00 C ATOM 1046 C ILE A 73 -4.197 4.237 2.567 1.00 0.00 C ATOM 1047 O ILE A 73 -3.458 4.751 3.381 1.00 0.00 O ATOM 1048 CB ILE A 73 -3.544 4.154 0.163 1.00 0.00 C ATOM 1049 CG1 ILE A 73 -2.164 4.814 0.134 1.00 0.00 C ATOM 1050 CG2 ILE A 73 -4.185 4.257 -1.221 1.00 0.00 C ATOM 1051 CD1 ILE A 73 -1.080 3.737 0.191 1.00 0.00 C ATOM 0 H ILE A 73 -3.474 6.598 1.997 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.474 4.757 0.915 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.442 3.104 0.438 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.053 5.409 -0.773 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.058 5.496 0.978 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.555 3.750 -1.952 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -5.169 3.788 -1.202 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.289 5.306 -1.497 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -0.097 4.208 0.170 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.187 3.161 1.110 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.182 3.073 -0.667 1.00 0.00 H new ATOM 1063 N ASP A 74 -4.819 3.120 2.825 1.00 0.00 N ATOM 1064 CA ASP A 74 -4.635 2.447 4.142 1.00 0.00 C ATOM 1065 C ASP A 74 -3.705 1.244 3.964 1.00 0.00 C ATOM 1066 O ASP A 74 -3.095 1.071 2.928 1.00 0.00 O ATOM 1067 CB ASP A 74 -5.991 1.973 4.672 1.00 0.00 C ATOM 1068 CG ASP A 74 -6.867 1.513 3.505 1.00 0.00 C ATOM 1069 OD1 ASP A 74 -7.390 2.367 2.809 1.00 0.00 O ATOM 1070 OD2 ASP A 74 -7.001 0.313 3.329 1.00 0.00 O ATOM 0 H ASP A 74 -5.448 2.643 2.179 1.00 0.00 H new ATOM 0 HA ASP A 74 -4.198 3.148 4.853 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -5.851 1.155 5.379 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.484 2.781 5.213 1.00 0.00 H new ATOM 1075 N PHE A 75 -3.589 0.408 4.961 1.00 0.00 N ATOM 1076 CA PHE A 75 -2.697 -0.778 4.830 1.00 0.00 C ATOM 1077 C PHE A 75 -3.396 -1.840 3.974 1.00 0.00 C ATOM 1078 O PHE A 75 -2.764 -2.699 3.390 1.00 0.00 O ATOM 1079 CB PHE A 75 -2.366 -1.333 6.230 1.00 0.00 C ATOM 1080 CG PHE A 75 -3.364 -2.397 6.641 1.00 0.00 C ATOM 1081 CD1 PHE A 75 -4.691 -2.047 6.916 1.00 0.00 C ATOM 1082 CD2 PHE A 75 -2.955 -3.732 6.746 1.00 0.00 C ATOM 1083 CE1 PHE A 75 -5.610 -3.033 7.296 1.00 0.00 C ATOM 1084 CE2 PHE A 75 -3.874 -4.718 7.126 1.00 0.00 C ATOM 1085 CZ PHE A 75 -5.201 -4.368 7.402 1.00 0.00 C ATOM 0 H PHE A 75 -4.071 0.495 5.856 1.00 0.00 H new ATOM 0 HA PHE A 75 -1.764 -0.493 4.344 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -1.360 -1.753 6.230 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.373 -0.522 6.958 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -5.006 -1.017 6.835 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.931 -4.001 6.534 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -6.634 -2.764 7.507 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -3.559 -5.748 7.206 1.00 0.00 H new ATOM 0 HZ PHE A 75 -5.910 -5.128 7.697 1.00 0.00 H new ATOM 1095 N GLU A 76 -4.698 -1.784 3.895 1.00 0.00 N ATOM 1096 CA GLU A 76 -5.443 -2.782 3.079 1.00 0.00 C ATOM 1097 C GLU A 76 -5.210 -2.502 1.592 1.00 0.00 C ATOM 1098 O GLU A 76 -4.792 -3.365 0.846 1.00 0.00 O ATOM 1099 CB GLU A 76 -6.938 -2.678 3.391 1.00 0.00 C ATOM 1100 CG GLU A 76 -7.679 -3.852 2.749 1.00 0.00 C ATOM 1101 CD GLU A 76 -9.163 -3.780 3.117 1.00 0.00 C ATOM 1102 OE1 GLU A 76 -9.694 -2.682 3.148 1.00 0.00 O ATOM 1103 OE2 GLU A 76 -9.743 -4.825 3.364 1.00 0.00 O ATOM 0 H GLU A 76 -5.278 -1.087 4.362 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.090 -3.785 3.318 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.096 -2.681 4.470 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.334 -1.735 3.014 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.560 -3.823 1.666 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.254 -4.795 3.091 1.00 0.00 H new ATOM 1110 N GLU A 77 -5.476 -1.301 1.156 1.00 0.00 N ATOM 1111 CA GLU A 77 -5.266 -0.967 -0.282 1.00 0.00 C ATOM 1112 C GLU A 77 -3.778 -1.078 -0.616 1.00 0.00 C ATOM 1113 O GLU A 77 -3.400 -1.574 -1.660 1.00 0.00 O ATOM 1114 CB GLU A 77 -5.744 0.462 -0.549 1.00 0.00 C ATOM 1115 CG GLU A 77 -7.130 0.422 -1.195 1.00 0.00 C ATOM 1116 CD GLU A 77 -8.124 -0.232 -0.232 1.00 0.00 C ATOM 1117 OE1 GLU A 77 -8.117 -1.449 -0.141 1.00 0.00 O ATOM 1118 OE2 GLU A 77 -8.875 0.494 0.397 1.00 0.00 O ATOM 0 H GLU A 77 -5.829 -0.537 1.732 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.832 -1.661 -0.904 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.782 1.025 0.384 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.040 0.976 -1.204 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.457 1.432 -1.441 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.091 -0.137 -2.130 1.00 0.00 H new ATOM 1125 N PHE A 78 -2.928 -0.623 0.264 1.00 0.00 N ATOM 1126 CA PHE A 78 -1.464 -0.702 0.000 1.00 0.00 C ATOM 1127 C PHE A 78 -1.007 -2.160 0.092 1.00 0.00 C ATOM 1128 O PHE A 78 0.113 -2.492 -0.241 1.00 0.00 O ATOM 1129 CB PHE A 78 -0.715 0.135 1.039 1.00 0.00 C ATOM 1130 CG PHE A 78 0.762 0.128 0.724 1.00 0.00 C ATOM 1131 CD1 PHE A 78 1.243 0.821 -0.393 1.00 0.00 C ATOM 1132 CD2 PHE A 78 1.651 -0.568 1.551 1.00 0.00 C ATOM 1133 CE1 PHE A 78 2.612 0.817 -0.684 1.00 0.00 C ATOM 1134 CE2 PHE A 78 3.020 -0.573 1.261 1.00 0.00 C ATOM 1135 CZ PHE A 78 3.501 0.120 0.143 1.00 0.00 C ATOM 0 H PHE A 78 -3.185 -0.199 1.156 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.252 -0.318 -0.998 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.093 1.157 1.038 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -0.886 -0.267 2.037 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.557 1.359 -1.031 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.280 -1.102 2.414 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.982 1.351 -1.546 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.705 -1.111 1.899 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.557 0.117 -0.081 1.00 0.00 H new ATOM 1145 N LEU A 79 -1.866 -3.033 0.543 1.00 0.00 N ATOM 1146 CA LEU A 79 -1.481 -4.468 0.656 1.00 0.00 C ATOM 1147 C LEU A 79 -1.534 -5.118 -0.730 1.00 0.00 C ATOM 1148 O LEU A 79 -0.921 -6.139 -0.972 1.00 0.00 O ATOM 1149 CB LEU A 79 -2.454 -5.183 1.596 1.00 0.00 C ATOM 1150 CG LEU A 79 -1.682 -6.154 2.489 1.00 0.00 C ATOM 1151 CD1 LEU A 79 -0.785 -5.368 3.445 1.00 0.00 C ATOM 1152 CD2 LEU A 79 -2.672 -6.996 3.297 1.00 0.00 C ATOM 0 H LEU A 79 -2.818 -2.814 0.838 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.470 -4.546 1.055 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.986 -4.455 2.208 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.204 -5.722 1.018 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.067 -6.806 1.869 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.235 -6.062 4.081 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.081 -4.766 2.871 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.399 -4.715 4.066 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.124 -7.690 3.935 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.286 -6.342 3.916 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.312 -7.557 2.617 1.00 0.00 H new ATOM 1164 N VAL A 80 -2.263 -4.534 -1.641 1.00 0.00 N ATOM 1165 CA VAL A 80 -2.354 -5.115 -3.010 1.00 0.00 C ATOM 1166 C VAL A 80 -1.150 -4.662 -3.836 1.00 0.00 C ATOM 1167 O VAL A 80 -0.382 -5.465 -4.327 1.00 0.00 O ATOM 1168 CB VAL A 80 -3.641 -4.633 -3.682 1.00 0.00 C ATOM 1169 CG1 VAL A 80 -3.858 -5.405 -4.983 1.00 0.00 C ATOM 1170 CG2 VAL A 80 -4.824 -4.874 -2.742 1.00 0.00 C ATOM 0 H VAL A 80 -2.800 -3.679 -1.496 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.362 -6.203 -2.944 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.561 -3.569 -3.902 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.775 -5.061 -5.461 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.014 -5.235 -5.652 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.940 -6.470 -4.765 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.743 -4.531 -3.218 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.904 -5.939 -2.523 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.669 -4.324 -1.814 1.00 0.00 H new ATOM 1180 N MET A 81 -0.979 -3.379 -3.991 1.00 0.00 N ATOM 1181 CA MET A 81 0.175 -2.870 -4.782 1.00 0.00 C ATOM 1182 C MET A 81 1.454 -3.576 -4.330 1.00 0.00 C ATOM 1183 O MET A 81 2.417 -3.669 -5.065 1.00 0.00 O ATOM 1184 CB MET A 81 0.316 -1.364 -4.557 1.00 0.00 C ATOM 1185 CG MET A 81 1.620 -0.871 -5.188 1.00 0.00 C ATOM 1186 SD MET A 81 1.728 0.928 -5.021 1.00 0.00 S ATOM 1187 CE MET A 81 1.102 1.039 -3.327 1.00 0.00 C ATOM 0 H MET A 81 -1.590 -2.660 -3.603 1.00 0.00 H new ATOM 0 HA MET A 81 0.008 -3.067 -5.841 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.533 -0.839 -4.995 1.00 0.00 H new ATOM 0 HB3 MET A 81 0.310 -1.143 -3.490 1.00 0.00 H new ATOM 0 HG2 MET A 81 2.473 -1.344 -4.702 1.00 0.00 H new ATOM 0 HG3 MET A 81 1.656 -1.152 -6.240 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.464 1.958 -2.865 1.00 0.00 H new ATOM 0 HE2 MET A 81 0.012 1.045 -3.342 1.00 0.00 H new ATOM 0 HE3 MET A 81 1.453 0.181 -2.753 1.00 0.00 H new ATOM 1197 N MET A 82 1.473 -4.074 -3.123 1.00 0.00 N ATOM 1198 CA MET A 82 2.689 -4.773 -2.621 1.00 0.00 C ATOM 1199 C MET A 82 2.704 -6.211 -3.143 1.00 0.00 C ATOM 1200 O MET A 82 3.723 -6.717 -3.564 1.00 0.00 O ATOM 1201 CB MET A 82 2.676 -4.786 -1.092 1.00 0.00 C ATOM 1202 CG MET A 82 3.707 -3.786 -0.565 1.00 0.00 C ATOM 1203 SD MET A 82 5.200 -4.671 -0.050 1.00 0.00 S ATOM 1204 CE MET A 82 6.350 -3.283 -0.204 1.00 0.00 C ATOM 0 H MET A 82 0.697 -4.026 -2.463 1.00 0.00 H new ATOM 0 HA MET A 82 3.578 -4.250 -2.972 1.00 0.00 H new ATOM 0 HB2 MET A 82 1.683 -4.529 -0.724 1.00 0.00 H new ATOM 0 HB3 MET A 82 2.903 -5.787 -0.724 1.00 0.00 H new ATOM 0 HG2 MET A 82 3.952 -3.058 -1.339 1.00 0.00 H new ATOM 0 HG3 MET A 82 3.293 -3.230 0.276 1.00 0.00 H new ATOM 0 HE1 MET A 82 7.353 -3.609 0.071 1.00 0.00 H new ATOM 0 HE2 MET A 82 6.354 -2.926 -1.234 1.00 0.00 H new ATOM 0 HE3 MET A 82 6.037 -2.476 0.458 1.00 0.00 H new ATOM 1214 N VAL A 83 1.580 -6.875 -3.118 1.00 0.00 N ATOM 1215 CA VAL A 83 1.536 -8.279 -3.614 1.00 0.00 C ATOM 1216 C VAL A 83 1.640 -8.284 -5.141 1.00 0.00 C ATOM 1217 O VAL A 83 1.791 -9.318 -5.760 1.00 0.00 O ATOM 1218 CB VAL A 83 0.216 -8.927 -3.191 1.00 0.00 C ATOM 1219 CG1 VAL A 83 0.257 -10.424 -3.502 1.00 0.00 C ATOM 1220 CG2 VAL A 83 0.011 -8.727 -1.688 1.00 0.00 C ATOM 0 H VAL A 83 0.693 -6.506 -2.776 1.00 0.00 H new ATOM 0 HA VAL A 83 2.369 -8.840 -3.191 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.606 -8.465 -3.738 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.684 -10.884 -3.200 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.405 -10.569 -4.572 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.079 -10.887 -2.956 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.929 -9.188 -1.384 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.834 -9.190 -1.144 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.019 -7.661 -1.464 1.00 0.00 H new ATOM 1230 N ARG A 84 1.560 -7.135 -5.753 1.00 0.00 N ATOM 1231 CA ARG A 84 1.652 -7.074 -7.239 1.00 0.00 C ATOM 1232 C ARG A 84 3.107 -7.271 -7.672 1.00 0.00 C ATOM 1233 O ARG A 84 3.400 -7.432 -8.840 1.00 0.00 O ATOM 1234 CB ARG A 84 1.156 -5.710 -7.724 1.00 0.00 C ATOM 1235 CG ARG A 84 -0.081 -5.901 -8.606 1.00 0.00 C ATOM 1236 CD ARG A 84 -1.322 -5.407 -7.858 1.00 0.00 C ATOM 1237 NE ARG A 84 -1.999 -4.352 -8.664 1.00 0.00 N ATOM 1238 CZ ARG A 84 -3.263 -4.095 -8.470 1.00 0.00 C ATOM 1239 NH1 ARG A 84 -4.130 -5.070 -8.438 1.00 0.00 N ATOM 1240 NH2 ARG A 84 -3.662 -2.864 -8.310 1.00 0.00 N ATOM 0 H ARG A 84 1.435 -6.236 -5.288 1.00 0.00 H new ATOM 0 HA ARG A 84 1.036 -7.862 -7.673 1.00 0.00 H new ATOM 0 HB2 ARG A 84 0.914 -5.075 -6.872 1.00 0.00 H new ATOM 0 HB3 ARG A 84 1.941 -5.204 -8.285 1.00 0.00 H new ATOM 0 HG2 ARG A 84 0.037 -5.351 -9.540 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -0.196 -6.953 -8.867 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -2.005 -6.237 -7.677 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -1.038 -5.010 -6.883 1.00 0.00 H new ATOM 0 HE ARG A 84 -1.474 -3.831 -9.367 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -3.819 -6.033 -8.565 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -5.118 -4.869 -8.286 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -2.985 -2.101 -8.337 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -4.651 -2.664 -8.158 1.00 0.00 H new ATOM 1254 N GLN A 85 4.022 -7.258 -6.741 1.00 0.00 N ATOM 1255 CA GLN A 85 5.456 -7.444 -7.103 1.00 0.00 C ATOM 1256 C GLN A 85 5.801 -8.934 -7.070 1.00 0.00 C ATOM 1257 O GLN A 85 6.554 -9.425 -7.888 1.00 0.00 O ATOM 1258 CB GLN A 85 6.338 -6.694 -6.100 1.00 0.00 C ATOM 1259 CG GLN A 85 6.327 -7.431 -4.759 1.00 0.00 C ATOM 1260 CD GLN A 85 6.911 -6.525 -3.673 1.00 0.00 C ATOM 1261 OE1 GLN A 85 7.753 -6.945 -2.903 1.00 0.00 O ATOM 1262 NE2 GLN A 85 6.499 -5.291 -3.579 1.00 0.00 N ATOM 0 H GLN A 85 3.839 -7.127 -5.746 1.00 0.00 H new ATOM 0 HA GLN A 85 5.631 -7.052 -8.105 1.00 0.00 H new ATOM 0 HB2 GLN A 85 7.357 -6.622 -6.479 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.973 -5.675 -5.970 1.00 0.00 H new ATOM 0 HG2 GLN A 85 5.308 -7.718 -4.498 1.00 0.00 H new ATOM 0 HG3 GLN A 85 6.909 -8.350 -4.832 1.00 0.00 H new ATOM 0 HE21 GLN A 85 5.793 -4.939 -4.225 1.00 0.00 H new ATOM 0 HE22 GLN A 85 6.883 -4.678 -2.860 1.00 0.00 H new