USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 622 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 13 GLN : amide:sc= 0 K(o=-0.34,f=1) USER MOD Set 1.2: A 14 GLN : amide:sc= -0.344 K(o=-0.34,f=1) USER MOD Single : A 6 TYR OH : rot 8:sc= 1.27 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -0.13 USER MOD Single : A 19 GLN : amide:sc= 0.915 K(o=0.92,f=-5.5!) USER MOD Single : A 24 LYS NZ :NH3+ 146:sc= -0.963 (180deg=-4.84!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc=-0.00988 X(o=-0.0099,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.348 USER MOD Single : A 37 LYS NZ :NH3+ -154:sc= -0.208 (180deg=-1.17) USER MOD Single : A 46 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.119) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -153:sc= 0.255 (180deg=0.00467) USER MOD Single : A 78 GLN : amide:sc= -0.366 X(o=-0.37,f=-0.16) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -0.0212 K(o=-0.021,f=-0.89) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N ARG A 2 -3.595 11.605 5.393 1.00 0.00 N ATOM 19 CA ARG A 2 -4.626 10.753 6.063 1.00 0.00 C ATOM 20 C ARG A 2 -4.143 9.302 6.086 1.00 0.00 C ATOM 21 O ARG A 2 -3.320 8.900 5.285 1.00 0.00 O ATOM 22 CB ARG A 2 -5.969 10.826 5.313 1.00 0.00 C ATOM 23 CG ARG A 2 -6.208 12.239 4.761 1.00 0.00 C ATOM 24 CD ARG A 2 -6.353 13.222 5.923 1.00 0.00 C ATOM 25 NE ARG A 2 -6.481 14.612 5.386 1.00 0.00 N ATOM 26 CZ ARG A 2 -6.778 15.629 6.172 1.00 0.00 C ATOM 27 NH1 ARG A 2 -6.971 15.468 7.460 1.00 0.00 N ATOM 28 NH2 ARG A 2 -6.879 16.823 5.656 1.00 0.00 N ATOM 0 HA ARG A 2 -4.773 11.119 7.079 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -5.974 10.105 4.495 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -6.782 10.551 5.985 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -5.377 12.536 4.121 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -7.107 12.253 4.144 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -7.229 12.969 6.520 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -5.487 13.153 6.582 1.00 0.00 H new ATOM 0 HE ARG A 2 -6.335 14.777 4.390 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -6.892 14.540 7.875 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -7.200 16.271 8.046 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -6.729 16.961 4.657 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -7.108 17.618 6.252 1.00 0.00 H new ATOM 42 N LEU A 3 -4.650 8.514 7.001 1.00 0.00 N ATOM 43 CA LEU A 3 -4.230 7.087 7.088 1.00 0.00 C ATOM 44 C LEU A 3 -5.187 6.222 6.266 1.00 0.00 C ATOM 45 O LEU A 3 -6.151 5.687 6.784 1.00 0.00 O ATOM 46 CB LEU A 3 -4.261 6.633 8.549 1.00 0.00 C ATOM 47 CG LEU A 3 -3.372 7.551 9.390 1.00 0.00 C ATOM 48 CD1 LEU A 3 -3.893 7.591 10.827 1.00 0.00 C ATOM 49 CD2 LEU A 3 -1.941 7.015 9.384 1.00 0.00 C ATOM 0 H LEU A 3 -5.341 8.802 7.694 1.00 0.00 H new ATOM 0 HA LEU A 3 -3.218 6.983 6.696 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -5.284 6.655 8.926 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -3.915 5.602 8.628 1.00 0.00 H new ATOM 0 HG LEU A 3 -3.388 8.557 8.970 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.259 8.245 11.426 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.915 7.971 10.833 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.877 6.586 11.248 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.306 7.668 9.983 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -1.927 6.010 9.805 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.568 6.985 8.360 1.00 0.00 H new ATOM 61 N PHE A 4 -4.930 6.084 4.990 1.00 0.00 N ATOM 62 CA PHE A 4 -5.823 5.257 4.125 1.00 0.00 C ATOM 63 C PHE A 4 -5.334 3.808 4.125 1.00 0.00 C ATOM 64 O PHE A 4 -4.151 3.542 4.027 1.00 0.00 O ATOM 65 CB PHE A 4 -5.799 5.805 2.697 1.00 0.00 C ATOM 66 CG PHE A 4 -6.804 6.925 2.574 1.00 0.00 C ATOM 67 CD1 PHE A 4 -8.154 6.632 2.350 1.00 0.00 C ATOM 68 CD2 PHE A 4 -6.386 8.256 2.686 1.00 0.00 C ATOM 69 CE1 PHE A 4 -9.086 7.669 2.238 1.00 0.00 C ATOM 70 CE2 PHE A 4 -7.319 9.294 2.575 1.00 0.00 C ATOM 71 CZ PHE A 4 -8.669 9.001 2.351 1.00 0.00 C ATOM 0 H PHE A 4 -4.138 6.510 4.509 1.00 0.00 H new ATOM 0 HA PHE A 4 -6.841 5.296 4.511 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -4.801 6.168 2.452 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -6.033 5.012 1.987 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -8.476 5.605 2.264 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -5.344 8.482 2.858 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -10.128 7.442 2.064 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.997 10.321 2.662 1.00 0.00 H new ATOM 0 HZ PHE A 4 -9.389 9.802 2.265 1.00 0.00 H new ATOM 81 N GLY A 5 -6.241 2.870 4.235 1.00 0.00 N ATOM 82 CA GLY A 5 -5.840 1.432 4.244 1.00 0.00 C ATOM 83 C GLY A 5 -6.695 0.654 3.244 1.00 0.00 C ATOM 84 O GLY A 5 -7.907 0.768 3.224 1.00 0.00 O ATOM 0 H GLY A 5 -7.243 3.039 4.319 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.785 1.337 3.987 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -5.963 1.016 5.244 1.00 0.00 H new ATOM 88 N TYR A 6 -6.066 -0.137 2.415 1.00 0.00 N ATOM 89 CA TYR A 6 -6.820 -0.937 1.405 1.00 0.00 C ATOM 90 C TYR A 6 -7.074 -2.343 1.968 1.00 0.00 C ATOM 91 O TYR A 6 -6.227 -2.917 2.626 1.00 0.00 O ATOM 92 CB TYR A 6 -5.984 -1.010 0.113 1.00 0.00 C ATOM 93 CG TYR A 6 -6.632 -1.932 -0.902 1.00 0.00 C ATOM 94 CD1 TYR A 6 -8.006 -1.856 -1.157 1.00 0.00 C ATOM 95 CD2 TYR A 6 -5.846 -2.869 -1.583 1.00 0.00 C ATOM 96 CE1 TYR A 6 -8.594 -2.717 -2.091 1.00 0.00 C ATOM 97 CE2 TYR A 6 -6.432 -3.728 -2.519 1.00 0.00 C ATOM 98 CZ TYR A 6 -7.807 -3.652 -2.774 1.00 0.00 C ATOM 99 OH TYR A 6 -8.386 -4.500 -3.696 1.00 0.00 O ATOM 0 H TYR A 6 -5.054 -0.264 2.394 1.00 0.00 H new ATOM 0 HA TYR A 6 -7.780 -0.472 1.182 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -5.878 -0.012 -0.313 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -4.980 -1.366 0.345 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -8.613 -1.133 -0.633 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -4.786 -2.929 -1.386 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -9.655 -2.660 -2.285 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -5.824 -4.450 -3.045 1.00 0.00 H new ATOM 0 HH TYR A 6 -9.317 -4.234 -3.845 1.00 0.00 H new ATOM 109 N ALA A 7 -8.236 -2.894 1.711 1.00 0.00 N ATOM 110 CA ALA A 7 -8.553 -4.259 2.228 1.00 0.00 C ATOM 111 C ALA A 7 -9.279 -5.069 1.149 1.00 0.00 C ATOM 112 O ALA A 7 -9.832 -4.526 0.211 1.00 0.00 O ATOM 113 CB ALA A 7 -9.454 -4.144 3.464 1.00 0.00 C ATOM 0 H ALA A 7 -8.978 -2.456 1.165 1.00 0.00 H new ATOM 0 HA ALA A 7 -7.624 -4.762 2.496 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.685 -5.141 3.840 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.939 -3.574 4.238 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.379 -3.635 3.194 1.00 0.00 H new ATOM 119 N ARG A 8 -9.286 -6.368 1.291 1.00 0.00 N ATOM 120 CA ARG A 8 -9.980 -7.245 0.301 1.00 0.00 C ATOM 121 C ARG A 8 -10.216 -8.607 0.951 1.00 0.00 C ATOM 122 O ARG A 8 -9.288 -9.352 1.199 1.00 0.00 O ATOM 123 CB ARG A 8 -9.116 -7.410 -0.952 1.00 0.00 C ATOM 124 CG ARG A 8 -9.879 -8.236 -2.004 1.00 0.00 C ATOM 125 CD ARG A 8 -9.911 -7.482 -3.337 1.00 0.00 C ATOM 126 NE ARG A 8 -8.628 -7.709 -4.070 1.00 0.00 N ATOM 127 CZ ARG A 8 -8.353 -8.869 -4.634 1.00 0.00 C ATOM 128 NH1 ARG A 8 -9.194 -9.876 -4.579 1.00 0.00 N ATOM 129 NH2 ARG A 8 -7.219 -9.021 -5.261 1.00 0.00 N ATOM 0 H ARG A 8 -8.835 -6.865 2.059 1.00 0.00 H new ATOM 0 HA ARG A 8 -10.930 -6.797 0.008 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.859 -6.432 -1.360 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.179 -7.905 -0.697 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -9.398 -9.205 -2.136 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -10.895 -8.428 -1.661 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -10.752 -7.824 -3.940 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -10.058 -6.416 -3.161 1.00 0.00 H new ATOM 0 HE ARG A 8 -7.950 -6.950 -4.135 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -10.084 -9.771 -4.092 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -8.957 -10.763 -5.024 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -6.556 -8.247 -5.311 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -6.995 -9.914 -5.701 1.00 0.00 H new ATOM 143 N VAL A 9 -11.451 -8.927 1.246 1.00 0.00 N ATOM 144 CA VAL A 9 -11.748 -10.229 1.907 1.00 0.00 C ATOM 145 C VAL A 9 -11.378 -11.392 0.985 1.00 0.00 C ATOM 146 O VAL A 9 -11.224 -11.229 -0.211 1.00 0.00 O ATOM 147 CB VAL A 9 -13.238 -10.309 2.257 1.00 0.00 C ATOM 148 CG1 VAL A 9 -13.589 -9.193 3.239 1.00 0.00 C ATOM 149 CG2 VAL A 9 -14.084 -10.157 0.990 1.00 0.00 C ATOM 0 H VAL A 9 -12.264 -8.341 1.057 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.156 -10.297 2.819 1.00 0.00 H new ATOM 0 HB VAL A 9 -13.446 -11.278 2.711 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -14.648 -9.248 3.489 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -12.996 -9.307 4.146 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -13.374 -8.226 2.783 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -15.141 -10.215 1.249 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -13.876 -9.192 0.527 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -13.838 -10.955 0.290 1.00 0.00 H new ATOM 159 N SER A 10 -11.243 -12.564 1.546 1.00 0.00 N ATOM 160 CA SER A 10 -10.892 -13.760 0.730 1.00 0.00 C ATOM 161 C SER A 10 -11.287 -15.028 1.490 1.00 0.00 C ATOM 162 O SER A 10 -10.693 -16.073 1.310 1.00 0.00 O ATOM 163 CB SER A 10 -9.386 -13.770 0.466 1.00 0.00 C ATOM 164 OG SER A 10 -9.137 -14.358 -0.805 1.00 0.00 O ATOM 0 H SER A 10 -11.362 -12.744 2.543 1.00 0.00 H new ATOM 0 HA SER A 10 -11.427 -13.725 -0.219 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.993 -12.753 0.493 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.872 -14.331 1.246 1.00 0.00 H new ATOM 0 HG SER A 10 -8.173 -14.365 -0.979 1.00 0.00 H new ATOM 170 N THR A 11 -12.288 -14.945 2.337 1.00 0.00 N ATOM 171 CA THR A 11 -12.719 -16.151 3.105 1.00 0.00 C ATOM 172 C THR A 11 -14.239 -16.125 3.311 1.00 0.00 C ATOM 173 O THR A 11 -14.873 -15.093 3.183 1.00 0.00 O ATOM 174 CB THR A 11 -11.987 -16.193 4.462 1.00 0.00 C ATOM 175 OG1 THR A 11 -12.264 -17.425 5.108 1.00 0.00 O ATOM 176 CG2 THR A 11 -12.434 -15.031 5.365 1.00 0.00 C ATOM 0 H THR A 11 -12.821 -14.096 2.527 1.00 0.00 H new ATOM 0 HA THR A 11 -12.463 -17.049 2.542 1.00 0.00 H new ATOM 0 HB THR A 11 -10.916 -16.097 4.281 1.00 0.00 H new ATOM 0 HG1 THR A 11 -11.798 -17.454 5.970 1.00 0.00 H new ATOM 0 HG21 THR A 11 -11.903 -15.084 6.315 1.00 0.00 H new ATOM 0 HG22 THR A 11 -12.209 -14.083 4.876 1.00 0.00 H new ATOM 0 HG23 THR A 11 -13.507 -15.102 5.544 1.00 0.00 H new ATOM 184 N SER A 12 -14.824 -17.252 3.635 1.00 0.00 N ATOM 185 CA SER A 12 -16.300 -17.299 3.855 1.00 0.00 C ATOM 186 C SER A 12 -16.650 -16.506 5.115 1.00 0.00 C ATOM 187 O SER A 12 -17.660 -15.831 5.172 1.00 0.00 O ATOM 188 CB SER A 12 -16.745 -18.752 4.023 1.00 0.00 C ATOM 189 OG SER A 12 -16.964 -19.326 2.741 1.00 0.00 O ATOM 0 H SER A 12 -14.341 -18.142 3.756 1.00 0.00 H new ATOM 0 HA SER A 12 -16.811 -16.862 2.997 1.00 0.00 H new ATOM 0 HB2 SER A 12 -15.985 -19.317 4.563 1.00 0.00 H new ATOM 0 HB3 SER A 12 -17.658 -18.799 4.616 1.00 0.00 H new ATOM 0 HG SER A 12 -17.248 -20.258 2.844 1.00 0.00 H new ATOM 195 N GLN A 13 -15.817 -16.579 6.121 1.00 0.00 N ATOM 196 CA GLN A 13 -16.085 -15.829 7.384 1.00 0.00 C ATOM 197 C GLN A 13 -16.125 -14.326 7.084 1.00 0.00 C ATOM 198 O GLN A 13 -16.247 -13.921 5.943 1.00 0.00 O ATOM 199 CB GLN A 13 -14.973 -16.123 8.398 1.00 0.00 C ATOM 200 CG GLN A 13 -15.573 -16.235 9.803 1.00 0.00 C ATOM 201 CD GLN A 13 -14.585 -15.673 10.827 1.00 0.00 C ATOM 202 OE1 GLN A 13 -14.917 -14.777 11.579 1.00 0.00 O ATOM 203 NE2 GLN A 13 -13.378 -16.165 10.892 1.00 0.00 N ATOM 0 H GLN A 13 -14.958 -17.129 6.121 1.00 0.00 H new ATOM 0 HA GLN A 13 -17.043 -16.141 7.799 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -14.463 -17.050 8.135 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -14.226 -15.330 8.373 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -16.515 -15.688 9.852 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -15.797 -17.277 10.032 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -13.099 -16.917 10.261 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -12.714 -15.798 11.573 1.00 0.00 H new ATOM 212 N GLN A 14 -16.024 -13.502 8.096 1.00 0.00 N ATOM 213 CA GLN A 14 -16.058 -12.026 7.867 1.00 0.00 C ATOM 214 C GLN A 14 -14.629 -11.492 7.720 1.00 0.00 C ATOM 215 O GLN A 14 -14.117 -10.805 8.584 1.00 0.00 O ATOM 216 CB GLN A 14 -16.755 -11.339 9.048 1.00 0.00 C ATOM 217 CG GLN A 14 -16.017 -11.653 10.358 1.00 0.00 C ATOM 218 CD GLN A 14 -17.007 -12.172 11.404 1.00 0.00 C ATOM 219 OE1 GLN A 14 -17.340 -11.474 12.342 1.00 0.00 O ATOM 220 NE2 GLN A 14 -17.498 -13.374 11.281 1.00 0.00 N ATOM 0 H GLN A 14 -15.920 -13.787 9.070 1.00 0.00 H new ATOM 0 HA GLN A 14 -16.612 -11.814 6.952 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -16.781 -10.261 8.887 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -17.789 -11.677 9.115 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -15.241 -12.397 10.179 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -15.520 -10.757 10.729 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -17.219 -13.961 10.494 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -18.161 -13.727 11.971 1.00 0.00 H new ATOM 229 N SER A 15 -13.985 -11.804 6.624 1.00 0.00 N ATOM 230 CA SER A 15 -12.589 -11.323 6.403 1.00 0.00 C ATOM 231 C SER A 15 -12.556 -9.791 6.407 1.00 0.00 C ATOM 232 O SER A 15 -11.541 -9.192 6.699 1.00 0.00 O ATOM 233 CB SER A 15 -12.081 -11.838 5.056 1.00 0.00 C ATOM 234 OG SER A 15 -10.746 -12.304 5.203 1.00 0.00 O ATOM 0 H SER A 15 -14.369 -12.374 5.870 1.00 0.00 H new ATOM 0 HA SER A 15 -11.951 -11.697 7.204 1.00 0.00 H new ATOM 0 HB2 SER A 15 -12.722 -12.643 4.697 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.121 -11.043 4.312 1.00 0.00 H new ATOM 0 HG SER A 15 -10.419 -12.636 4.341 1.00 0.00 H new ATOM 240 N LEU A 16 -13.656 -9.155 6.084 1.00 0.00 N ATOM 241 CA LEU A 16 -13.686 -7.660 6.070 1.00 0.00 C ATOM 242 C LEU A 16 -13.361 -7.141 7.478 1.00 0.00 C ATOM 243 O LEU A 16 -12.569 -6.233 7.645 1.00 0.00 O ATOM 244 CB LEU A 16 -15.082 -7.189 5.616 1.00 0.00 C ATOM 245 CG LEU A 16 -15.259 -5.680 5.858 1.00 0.00 C ATOM 246 CD1 LEU A 16 -16.030 -5.057 4.695 1.00 0.00 C ATOM 247 CD2 LEU A 16 -16.041 -5.460 7.156 1.00 0.00 C ATOM 0 H LEU A 16 -14.534 -9.607 5.830 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.944 -7.268 5.374 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -15.218 -7.410 4.557 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -15.850 -7.741 6.158 1.00 0.00 H new ATOM 0 HG LEU A 16 -14.278 -5.212 5.935 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -16.153 -3.988 4.871 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -15.477 -5.211 3.768 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -17.010 -5.527 4.615 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -16.167 -4.391 7.328 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -17.020 -5.932 7.075 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -15.494 -5.900 7.990 1.00 0.00 H new ATOM 259 N ASP A 17 -13.963 -7.720 8.483 1.00 0.00 N ATOM 260 CA ASP A 17 -13.687 -7.274 9.880 1.00 0.00 C ATOM 261 C ASP A 17 -12.243 -7.626 10.233 1.00 0.00 C ATOM 262 O ASP A 17 -11.526 -6.838 10.820 1.00 0.00 O ATOM 263 CB ASP A 17 -14.641 -7.987 10.839 1.00 0.00 C ATOM 264 CG ASP A 17 -15.005 -7.048 11.989 1.00 0.00 C ATOM 265 OD1 ASP A 17 -14.098 -6.484 12.578 1.00 0.00 O ATOM 266 OD2 ASP A 17 -16.186 -6.909 12.264 1.00 0.00 O ATOM 0 H ASP A 17 -14.634 -8.483 8.397 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.835 -6.197 9.964 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -15.542 -8.296 10.309 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -14.173 -8.891 11.228 1.00 0.00 H new ATOM 271 N ILE A 18 -11.815 -8.807 9.869 1.00 0.00 N ATOM 272 CA ILE A 18 -10.418 -9.232 10.168 1.00 0.00 C ATOM 273 C ILE A 18 -9.445 -8.356 9.373 1.00 0.00 C ATOM 274 O ILE A 18 -8.377 -8.016 9.848 1.00 0.00 O ATOM 275 CB ILE A 18 -10.240 -10.701 9.766 1.00 0.00 C ATOM 276 CG1 ILE A 18 -11.288 -11.558 10.486 1.00 0.00 C ATOM 277 CG2 ILE A 18 -8.839 -11.175 10.159 1.00 0.00 C ATOM 278 CD1 ILE A 18 -11.735 -12.698 9.567 1.00 0.00 C ATOM 0 H ILE A 18 -12.378 -9.499 9.374 1.00 0.00 H new ATOM 0 HA ILE A 18 -10.216 -9.122 11.234 1.00 0.00 H new ATOM 0 HB ILE A 18 -10.366 -10.798 8.688 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -10.871 -11.963 11.408 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -12.145 -10.945 10.766 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -8.714 -12.219 9.872 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -8.093 -10.567 9.648 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.711 -11.077 11.237 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -12.480 -13.307 10.079 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -12.169 -12.283 8.657 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.875 -13.317 9.310 1.00 0.00 H new ATOM 290 N GLN A 19 -9.811 -7.984 8.172 1.00 0.00 N ATOM 291 CA GLN A 19 -8.914 -7.125 7.344 1.00 0.00 C ATOM 292 C GLN A 19 -8.855 -5.732 7.966 1.00 0.00 C ATOM 293 O GLN A 19 -7.790 -5.205 8.216 1.00 0.00 O ATOM 294 CB GLN A 19 -9.460 -7.022 5.919 1.00 0.00 C ATOM 295 CG GLN A 19 -8.988 -8.226 5.103 1.00 0.00 C ATOM 296 CD GLN A 19 -7.705 -7.864 4.351 1.00 0.00 C ATOM 297 OE1 GLN A 19 -7.750 -7.455 3.208 1.00 0.00 O ATOM 298 NE2 GLN A 19 -6.553 -8.000 4.951 1.00 0.00 N ATOM 0 H GLN A 19 -10.694 -8.239 7.730 1.00 0.00 H new ATOM 0 HA GLN A 19 -7.917 -7.564 7.311 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.549 -6.986 5.937 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.119 -6.097 5.453 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -8.809 -9.076 5.761 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -9.763 -8.527 4.398 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -6.515 -8.343 5.911 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -5.691 -7.763 4.460 1.00 0.00 H new ATOM 307 N VAL A 20 -9.999 -5.139 8.229 1.00 0.00 N ATOM 308 CA VAL A 20 -10.034 -3.772 8.852 1.00 0.00 C ATOM 309 C VAL A 20 -9.139 -3.758 10.096 1.00 0.00 C ATOM 310 O VAL A 20 -8.305 -2.888 10.265 1.00 0.00 O ATOM 311 CB VAL A 20 -11.478 -3.439 9.249 1.00 0.00 C ATOM 312 CG1 VAL A 20 -11.537 -2.040 9.868 1.00 0.00 C ATOM 313 CG2 VAL A 20 -12.374 -3.488 8.007 1.00 0.00 C ATOM 0 H VAL A 20 -10.915 -5.545 8.038 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.672 -3.030 8.140 1.00 0.00 H new ATOM 0 HB VAL A 20 -11.827 -4.169 9.979 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -12.565 -1.809 10.148 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.903 -2.007 10.754 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -11.185 -1.306 9.143 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -13.400 -3.251 8.289 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -12.022 -2.761 7.275 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -12.338 -4.487 7.572 1.00 0.00 H new ATOM 323 N ARG A 21 -9.296 -4.737 10.951 1.00 0.00 N ATOM 324 CA ARG A 21 -8.445 -4.818 12.177 1.00 0.00 C ATOM 325 C ARG A 21 -6.979 -4.899 11.744 1.00 0.00 C ATOM 326 O ARG A 21 -6.093 -4.404 12.414 1.00 0.00 O ATOM 327 CB ARG A 21 -8.809 -6.074 12.978 1.00 0.00 C ATOM 328 CG ARG A 21 -10.330 -6.147 13.191 1.00 0.00 C ATOM 329 CD ARG A 21 -10.664 -5.888 14.664 1.00 0.00 C ATOM 330 NE ARG A 21 -10.909 -4.426 14.869 1.00 0.00 N ATOM 331 CZ ARG A 21 -12.032 -3.855 14.477 1.00 0.00 C ATOM 332 NH1 ARG A 21 -12.984 -4.541 13.888 1.00 0.00 N ATOM 333 NH2 ARG A 21 -12.201 -2.577 14.679 1.00 0.00 N ATOM 0 H ARG A 21 -9.980 -5.487 10.852 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.607 -3.939 12.801 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.466 -6.963 12.449 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -8.300 -6.060 13.942 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -10.830 -5.411 12.561 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -10.701 -7.127 12.892 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -11.545 -6.460 14.954 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -9.844 -6.223 15.299 1.00 0.00 H new ATOM 0 HE ARG A 21 -10.192 -3.859 15.322 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -12.865 -5.541 13.723 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -13.842 -4.074 13.595 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -11.470 -2.032 15.135 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -13.065 -2.123 14.381 1.00 0.00 H new ATOM 347 N ALA A 22 -6.727 -5.508 10.611 1.00 0.00 N ATOM 348 CA ALA A 22 -5.332 -5.617 10.104 1.00 0.00 C ATOM 349 C ALA A 22 -4.856 -4.230 9.667 1.00 0.00 C ATOM 350 O ALA A 22 -3.714 -3.865 9.871 1.00 0.00 O ATOM 351 CB ALA A 22 -5.297 -6.570 8.907 1.00 0.00 C ATOM 0 H ALA A 22 -7.436 -5.936 10.015 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.681 -6.002 10.889 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.275 -6.650 8.535 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.649 -7.554 9.215 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.941 -6.185 8.117 1.00 0.00 H new ATOM 357 N LEU A 23 -5.731 -3.452 9.073 1.00 0.00 N ATOM 358 CA LEU A 23 -5.335 -2.082 8.630 1.00 0.00 C ATOM 359 C LEU A 23 -5.196 -1.190 9.865 1.00 0.00 C ATOM 360 O LEU A 23 -4.255 -0.428 9.989 1.00 0.00 O ATOM 361 CB LEU A 23 -6.395 -1.474 7.688 1.00 0.00 C ATOM 362 CG LEU A 23 -6.976 -2.525 6.721 1.00 0.00 C ATOM 363 CD1 LEU A 23 -7.843 -1.818 5.678 1.00 0.00 C ATOM 364 CD2 LEU A 23 -5.854 -3.285 6.002 1.00 0.00 C ATOM 0 H LEU A 23 -6.699 -3.708 8.878 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.391 -2.147 8.089 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.201 -1.041 8.280 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.948 -0.661 7.115 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.570 -3.236 7.295 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.258 -2.555 4.990 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.655 -1.290 6.178 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.234 -1.105 5.122 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.289 -4.021 5.325 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.246 -2.583 5.432 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.229 -3.792 6.737 1.00 0.00 H new ATOM 376 N LYS A 24 -6.128 -1.285 10.784 1.00 0.00 N ATOM 377 CA LYS A 24 -6.060 -0.450 12.021 1.00 0.00 C ATOM 378 C LYS A 24 -4.802 -0.823 12.805 1.00 0.00 C ATOM 379 O LYS A 24 -4.088 0.034 13.291 1.00 0.00 O ATOM 380 CB LYS A 24 -7.310 -0.703 12.879 1.00 0.00 C ATOM 381 CG LYS A 24 -8.103 0.598 13.042 1.00 0.00 C ATOM 382 CD LYS A 24 -9.158 0.698 11.937 1.00 0.00 C ATOM 383 CE LYS A 24 -10.284 -0.302 12.209 1.00 0.00 C ATOM 384 NZ LYS A 24 -10.800 -0.111 13.596 1.00 0.00 N ATOM 0 H LYS A 24 -6.934 -1.907 10.728 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.021 0.606 11.756 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.935 -1.464 12.411 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.019 -1.087 13.857 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.583 0.623 14.020 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.430 1.454 12.995 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.560 1.710 11.895 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.704 0.494 10.967 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.090 -0.163 11.488 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.917 -1.321 12.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.821 -0.305 13.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.311 -0.763 14.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.628 0.869 13.899 1.00 0.00 H new ATOM 398 N ASP A 25 -4.512 -2.097 12.910 1.00 0.00 N ATOM 399 CA ASP A 25 -3.289 -2.537 13.636 1.00 0.00 C ATOM 400 C ASP A 25 -2.070 -1.942 12.934 1.00 0.00 C ATOM 401 O ASP A 25 -1.090 -1.578 13.554 1.00 0.00 O ATOM 402 CB ASP A 25 -3.204 -4.060 13.589 1.00 0.00 C ATOM 403 CG ASP A 25 -2.423 -4.569 14.801 1.00 0.00 C ATOM 404 OD1 ASP A 25 -2.701 -4.109 15.896 1.00 0.00 O ATOM 405 OD2 ASP A 25 -1.558 -5.409 14.613 1.00 0.00 O ATOM 0 H ASP A 25 -5.076 -2.852 12.520 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.323 -2.205 14.674 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.206 -4.490 13.583 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.715 -4.379 12.669 1.00 0.00 H new ATOM 410 N ALA A 26 -2.149 -1.837 11.637 1.00 0.00 N ATOM 411 CA ALA A 26 -1.031 -1.261 10.847 1.00 0.00 C ATOM 412 C ALA A 26 -0.951 0.244 11.115 1.00 0.00 C ATOM 413 O ALA A 26 0.111 0.836 11.076 1.00 0.00 O ATOM 414 CB ALA A 26 -1.315 -1.502 9.363 1.00 0.00 C ATOM 0 H ALA A 26 -2.954 -2.131 11.085 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.087 -1.728 11.127 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.504 -1.086 8.765 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.390 -2.573 9.176 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.253 -1.019 9.089 1.00 0.00 H new ATOM 420 N GLY A 27 -2.074 0.864 11.374 1.00 0.00 N ATOM 421 CA GLY A 27 -2.087 2.333 11.633 1.00 0.00 C ATOM 422 C GLY A 27 -3.011 2.991 10.615 1.00 0.00 C ATOM 423 O GLY A 27 -2.690 4.007 10.028 1.00 0.00 O ATOM 0 H GLY A 27 -2.987 0.412 11.417 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.433 2.537 12.647 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.080 2.742 11.551 1.00 0.00 H new ATOM 427 N VAL A 28 -4.155 2.400 10.393 1.00 0.00 N ATOM 428 CA VAL A 28 -5.117 2.952 9.405 1.00 0.00 C ATOM 429 C VAL A 28 -6.402 3.371 10.125 1.00 0.00 C ATOM 430 O VAL A 28 -6.834 2.734 11.068 1.00 0.00 O ATOM 431 CB VAL A 28 -5.416 1.865 8.364 1.00 0.00 C ATOM 432 CG1 VAL A 28 -6.413 2.381 7.322 1.00 0.00 C ATOM 433 CG2 VAL A 28 -4.115 1.473 7.662 1.00 0.00 C ATOM 0 H VAL A 28 -4.464 1.548 10.862 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.698 3.827 8.909 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.848 1.001 8.869 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.614 1.597 6.591 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.343 2.663 7.816 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -5.993 3.250 6.816 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.320 0.701 6.921 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.691 2.347 7.168 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.406 1.092 8.397 1.00 0.00 H new ATOM 443 N LYS A 29 -7.015 4.440 9.681 1.00 0.00 N ATOM 444 CA LYS A 29 -8.274 4.914 10.324 1.00 0.00 C ATOM 445 C LYS A 29 -9.428 3.997 9.914 1.00 0.00 C ATOM 446 O LYS A 29 -9.539 3.608 8.766 1.00 0.00 O ATOM 447 CB LYS A 29 -8.569 6.351 9.865 1.00 0.00 C ATOM 448 CG LYS A 29 -8.980 7.212 11.067 1.00 0.00 C ATOM 449 CD LYS A 29 -7.824 8.136 11.461 1.00 0.00 C ATOM 450 CE LYS A 29 -8.373 9.336 12.236 1.00 0.00 C ATOM 451 NZ LYS A 29 -7.427 10.481 12.116 1.00 0.00 N ATOM 0 H LYS A 29 -6.694 5.006 8.896 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.163 4.895 11.408 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.687 6.777 9.387 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.365 6.348 9.120 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.862 7.803 10.819 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.251 6.574 11.908 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.103 7.594 12.072 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.296 8.475 10.570 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.352 9.617 11.847 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.511 9.073 13.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.800 11.296 12.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.502 10.210 12.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.317 10.737 11.114 1.00 0.00 H new ATOM 465 N ALA A 30 -10.291 3.655 10.839 1.00 0.00 N ATOM 466 CA ALA A 30 -11.444 2.769 10.497 1.00 0.00 C ATOM 467 C ALA A 30 -12.341 3.494 9.495 1.00 0.00 C ATOM 468 O ALA A 30 -12.935 2.885 8.623 1.00 0.00 O ATOM 469 CB ALA A 30 -12.242 2.446 11.760 1.00 0.00 C ATOM 0 H ALA A 30 -10.246 3.951 11.814 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.078 1.839 10.063 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -13.082 1.800 11.505 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.598 1.938 12.477 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -12.616 3.370 12.200 1.00 0.00 H new ATOM 475 N ASN A 31 -12.427 4.794 9.606 1.00 0.00 N ATOM 476 CA ASN A 31 -13.260 5.577 8.659 1.00 0.00 C ATOM 477 C ASN A 31 -12.616 5.521 7.267 1.00 0.00 C ATOM 478 O ASN A 31 -13.284 5.662 6.260 1.00 0.00 O ATOM 479 CB ASN A 31 -13.330 7.031 9.144 1.00 0.00 C ATOM 480 CG ASN A 31 -14.786 7.497 9.174 1.00 0.00 C ATOM 481 OD1 ASN A 31 -15.169 8.388 8.442 1.00 0.00 O ATOM 482 ND2 ASN A 31 -15.621 6.928 10.000 1.00 0.00 N ATOM 0 H ASN A 31 -11.951 5.347 10.319 1.00 0.00 H new ATOM 0 HA ASN A 31 -14.267 5.164 8.608 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -12.891 7.114 10.138 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -12.747 7.673 8.484 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -16.594 7.231 10.031 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -15.300 6.180 10.615 1.00 0.00 H new ATOM 489 N ARG A 32 -11.323 5.307 7.208 1.00 0.00 N ATOM 490 CA ARG A 32 -10.627 5.235 5.891 1.00 0.00 C ATOM 491 C ARG A 32 -10.273 3.774 5.593 1.00 0.00 C ATOM 492 O ARG A 32 -9.121 3.427 5.400 1.00 0.00 O ATOM 493 CB ARG A 32 -9.347 6.078 5.952 1.00 0.00 C ATOM 494 CG ARG A 32 -9.674 7.549 5.650 1.00 0.00 C ATOM 495 CD ARG A 32 -9.183 8.436 6.797 1.00 0.00 C ATOM 496 NE ARG A 32 -10.010 9.682 6.852 1.00 0.00 N ATOM 497 CZ ARG A 32 -9.858 10.647 5.966 1.00 0.00 C ATOM 498 NH1 ARG A 32 -8.973 10.561 4.998 1.00 0.00 N ATOM 499 NH2 ARG A 32 -10.603 11.715 6.053 1.00 0.00 N ATOM 0 H ARG A 32 -10.720 5.179 8.021 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.275 5.619 5.103 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.892 5.993 6.939 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -8.620 5.703 5.232 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -9.201 7.852 4.716 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -10.749 7.672 5.517 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.253 7.898 7.743 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.133 8.690 6.651 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.706 9.787 7.590 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.383 9.733 4.919 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.876 11.322 4.326 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -11.293 11.796 6.800 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -10.495 12.469 5.374 1.00 0.00 H new ATOM 513 N ILE A 33 -11.261 2.917 5.552 1.00 0.00 N ATOM 514 CA ILE A 33 -10.998 1.475 5.267 1.00 0.00 C ATOM 515 C ILE A 33 -11.685 1.094 3.951 1.00 0.00 C ATOM 516 O ILE A 33 -12.833 0.691 3.936 1.00 0.00 O ATOM 517 CB ILE A 33 -11.551 0.620 6.418 1.00 0.00 C ATOM 518 CG1 ILE A 33 -10.843 1.010 7.727 1.00 0.00 C ATOM 519 CG2 ILE A 33 -11.324 -0.873 6.129 1.00 0.00 C ATOM 520 CD1 ILE A 33 -9.339 0.711 7.635 1.00 0.00 C ATOM 0 H ILE A 33 -12.241 3.155 5.704 1.00 0.00 H new ATOM 0 HA ILE A 33 -9.926 1.300 5.179 1.00 0.00 H new ATOM 0 HB ILE A 33 -12.622 0.798 6.513 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -10.997 2.070 7.929 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -11.279 0.460 8.561 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -11.720 -1.467 6.952 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -11.834 -1.147 5.205 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -10.256 -1.065 6.024 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -8.854 0.993 8.570 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -9.190 -0.354 7.456 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.904 1.281 6.814 1.00 0.00 H new ATOM 532 N PHE A 34 -10.987 1.217 2.850 1.00 0.00 N ATOM 533 CA PHE A 34 -11.592 0.864 1.532 1.00 0.00 C ATOM 534 C PHE A 34 -11.369 -0.623 1.258 1.00 0.00 C ATOM 535 O PHE A 34 -10.546 -1.000 0.445 1.00 0.00 O ATOM 536 CB PHE A 34 -10.944 1.700 0.428 1.00 0.00 C ATOM 537 CG PHE A 34 -11.749 2.960 0.218 1.00 0.00 C ATOM 538 CD1 PHE A 34 -11.460 4.109 0.964 1.00 0.00 C ATOM 539 CD2 PHE A 34 -12.790 2.977 -0.717 1.00 0.00 C ATOM 540 CE1 PHE A 34 -12.209 5.274 0.771 1.00 0.00 C ATOM 541 CE2 PHE A 34 -13.540 4.143 -0.909 1.00 0.00 C ATOM 542 CZ PHE A 34 -13.249 5.291 -0.165 1.00 0.00 C ATOM 0 H PHE A 34 -10.023 1.547 2.808 1.00 0.00 H new ATOM 0 HA PHE A 34 -12.662 1.072 1.552 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -9.919 1.951 0.700 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -10.897 1.127 -0.498 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -10.659 4.096 1.688 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -13.015 2.090 -1.291 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -11.985 6.161 1.345 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -14.343 4.156 -1.631 1.00 0.00 H new ATOM 0 HZ PHE A 34 -13.827 6.191 -0.313 1.00 0.00 H new ATOM 552 N THR A 35 -12.099 -1.468 1.935 1.00 0.00 N ATOM 553 CA THR A 35 -11.940 -2.935 1.729 1.00 0.00 C ATOM 554 C THR A 35 -12.669 -3.357 0.450 1.00 0.00 C ATOM 555 O THR A 35 -13.341 -2.562 -0.182 1.00 0.00 O ATOM 556 CB THR A 35 -12.534 -3.684 2.928 1.00 0.00 C ATOM 557 OG1 THR A 35 -12.448 -5.083 2.699 1.00 0.00 O ATOM 558 CG2 THR A 35 -14.002 -3.286 3.120 1.00 0.00 C ATOM 0 H THR A 35 -12.802 -1.203 2.625 1.00 0.00 H new ATOM 0 HA THR A 35 -10.881 -3.176 1.636 1.00 0.00 H new ATOM 0 HB THR A 35 -11.974 -3.424 3.826 1.00 0.00 H new ATOM 0 HG1 THR A 35 -12.826 -5.564 3.465 1.00 0.00 H new ATOM 0 HG21 THR A 35 -14.416 -3.823 3.974 1.00 0.00 H new ATOM 0 HG22 THR A 35 -14.068 -2.213 3.300 1.00 0.00 H new ATOM 0 HG23 THR A 35 -14.568 -3.539 2.223 1.00 0.00 H new ATOM 566 N ASP A 36 -12.537 -4.599 0.067 1.00 0.00 N ATOM 567 CA ASP A 36 -13.216 -5.089 -1.168 1.00 0.00 C ATOM 568 C ASP A 36 -13.984 -6.372 -0.845 1.00 0.00 C ATOM 569 O ASP A 36 -13.397 -7.399 -0.555 1.00 0.00 O ATOM 570 CB ASP A 36 -12.167 -5.377 -2.246 1.00 0.00 C ATOM 571 CG ASP A 36 -12.041 -4.170 -3.179 1.00 0.00 C ATOM 572 OD1 ASP A 36 -13.048 -3.528 -3.427 1.00 0.00 O ATOM 573 OD2 ASP A 36 -10.939 -3.909 -3.631 1.00 0.00 O ATOM 0 H ASP A 36 -11.984 -5.300 0.560 1.00 0.00 H new ATOM 0 HA ASP A 36 -13.909 -4.330 -1.532 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.204 -5.592 -1.782 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.451 -6.262 -2.816 1.00 0.00 H new ATOM 578 N LYS A 37 -15.292 -6.322 -0.893 1.00 0.00 N ATOM 579 CA LYS A 37 -16.104 -7.538 -0.590 1.00 0.00 C ATOM 580 C LYS A 37 -15.966 -8.540 -1.743 1.00 0.00 C ATOM 581 O LYS A 37 -16.901 -8.787 -2.483 1.00 0.00 O ATOM 582 CB LYS A 37 -17.577 -7.144 -0.419 1.00 0.00 C ATOM 583 CG LYS A 37 -17.697 -6.029 0.622 1.00 0.00 C ATOM 584 CD LYS A 37 -17.452 -6.598 2.022 1.00 0.00 C ATOM 585 CE LYS A 37 -18.608 -7.520 2.420 1.00 0.00 C ATOM 586 NZ LYS A 37 -19.904 -6.807 2.231 1.00 0.00 N ATOM 0 H LYS A 37 -15.832 -5.490 -1.129 1.00 0.00 H new ATOM 0 HA LYS A 37 -15.747 -7.995 0.333 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -17.987 -6.810 -1.372 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -18.161 -8.010 -0.107 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -16.975 -5.240 0.409 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -18.687 -5.577 0.571 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -16.512 -7.150 2.040 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -17.359 -5.786 2.743 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -18.588 -8.426 1.815 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -18.499 -7.828 3.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -20.617 -7.207 2.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -19.778 -5.796 2.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -20.222 -6.920 1.247 1.00 0.00 H new ATOM 600 N ALA A 38 -14.800 -9.114 -1.898 1.00 0.00 N ATOM 601 CA ALA A 38 -14.582 -10.100 -2.999 1.00 0.00 C ATOM 602 C ALA A 38 -15.502 -11.309 -2.799 1.00 0.00 C ATOM 603 O ALA A 38 -15.884 -11.968 -3.747 1.00 0.00 O ATOM 604 CB ALA A 38 -13.125 -10.563 -2.988 1.00 0.00 C ATOM 0 H ALA A 38 -13.987 -8.941 -1.307 1.00 0.00 H new ATOM 0 HA ALA A 38 -14.808 -9.628 -3.955 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -12.966 -11.282 -3.791 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -12.469 -9.705 -3.134 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -12.900 -11.033 -2.030 1.00 0.00 H new ATOM 661 N ASP A 44 -15.289 -8.064 -6.330 1.00 0.00 N ATOM 662 CA ASP A 44 -15.532 -6.624 -6.017 1.00 0.00 C ATOM 663 C ASP A 44 -14.194 -5.893 -5.901 1.00 0.00 C ATOM 664 O ASP A 44 -13.671 -5.711 -4.817 1.00 0.00 O ATOM 665 CB ASP A 44 -16.291 -6.510 -4.694 1.00 0.00 C ATOM 666 CG ASP A 44 -17.766 -6.843 -4.921 1.00 0.00 C ATOM 667 OD1 ASP A 44 -18.041 -7.926 -5.410 1.00 0.00 O ATOM 668 OD2 ASP A 44 -18.597 -6.008 -4.603 1.00 0.00 O ATOM 0 HA ASP A 44 -16.123 -6.175 -6.815 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -15.863 -7.190 -3.957 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -16.193 -5.502 -4.292 1.00 0.00 H new ATOM 673 N ARG A 45 -13.639 -5.472 -7.008 1.00 0.00 N ATOM 674 CA ARG A 45 -12.335 -4.752 -6.969 1.00 0.00 C ATOM 675 C ARG A 45 -12.581 -3.243 -7.065 1.00 0.00 C ATOM 676 O ARG A 45 -11.858 -2.529 -7.735 1.00 0.00 O ATOM 677 CB ARG A 45 -11.463 -5.208 -8.143 1.00 0.00 C ATOM 678 CG ARG A 45 -10.551 -6.350 -7.687 1.00 0.00 C ATOM 679 CD ARG A 45 -10.358 -7.354 -8.829 1.00 0.00 C ATOM 680 NE ARG A 45 -10.873 -8.694 -8.403 1.00 0.00 N ATOM 681 CZ ARG A 45 -10.535 -9.795 -9.043 1.00 0.00 C ATOM 682 NH1 ARG A 45 -9.730 -9.770 -10.082 1.00 0.00 N ATOM 683 NH2 ARG A 45 -11.012 -10.939 -8.636 1.00 0.00 N ATOM 0 H ARG A 45 -14.035 -5.597 -7.939 1.00 0.00 H new ATOM 0 HA ARG A 45 -11.824 -4.976 -6.032 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -12.091 -5.538 -8.970 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.864 -4.375 -8.511 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.585 -5.953 -7.374 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -10.986 -6.850 -6.821 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -10.887 -7.015 -9.720 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -9.303 -7.424 -9.092 1.00 0.00 H new ATOM 0 HE ARG A 45 -11.499 -8.756 -7.600 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.350 -8.883 -10.412 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -9.485 -10.638 -10.558 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -11.638 -10.973 -7.832 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -10.759 -11.799 -9.122 1.00 0.00 H new ATOM 697 N LYS A 46 -13.595 -2.756 -6.396 1.00 0.00 N ATOM 698 CA LYS A 46 -13.894 -1.293 -6.438 1.00 0.00 C ATOM 699 C LYS A 46 -13.107 -0.558 -5.340 1.00 0.00 C ATOM 700 O LYS A 46 -13.335 0.612 -5.092 1.00 0.00 O ATOM 701 CB LYS A 46 -15.393 -1.070 -6.215 1.00 0.00 C ATOM 702 CG LYS A 46 -16.196 -1.954 -7.170 1.00 0.00 C ATOM 703 CD LYS A 46 -17.584 -1.351 -7.383 1.00 0.00 C ATOM 704 CE LYS A 46 -18.556 -1.924 -6.348 1.00 0.00 C ATOM 705 NZ LYS A 46 -18.949 -3.305 -6.746 1.00 0.00 N ATOM 0 H LYS A 46 -14.230 -3.310 -5.821 1.00 0.00 H new ATOM 0 HA LYS A 46 -13.601 -0.902 -7.413 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -15.655 -1.302 -5.183 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -15.642 -0.022 -6.379 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -15.676 -2.042 -8.124 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -16.285 -2.961 -6.762 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -17.538 -0.266 -7.292 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -17.937 -1.572 -8.390 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -18.089 -1.937 -5.363 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -19.440 -1.290 -6.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -19.805 -3.585 -6.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -19.140 -3.331 -7.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -18.177 -3.964 -6.521 1.00 0.00 H new ATOM 719 N GLY A 47 -12.188 -1.227 -4.679 1.00 0.00 N ATOM 720 CA GLY A 47 -11.402 -0.559 -3.602 1.00 0.00 C ATOM 721 C GLY A 47 -10.521 0.532 -4.207 1.00 0.00 C ATOM 722 O GLY A 47 -10.543 1.663 -3.767 1.00 0.00 O ATOM 0 H GLY A 47 -11.952 -2.206 -4.843 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.076 -0.127 -2.862 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.785 -1.291 -3.082 1.00 0.00 H new ATOM 726 N LEU A 48 -9.751 0.201 -5.212 1.00 0.00 N ATOM 727 CA LEU A 48 -8.870 1.224 -5.847 1.00 0.00 C ATOM 728 C LEU A 48 -9.740 2.166 -6.679 1.00 0.00 C ATOM 729 O LEU A 48 -9.465 3.345 -6.788 1.00 0.00 O ATOM 730 CB LEU A 48 -7.765 0.616 -6.760 1.00 0.00 C ATOM 731 CG LEU A 48 -7.493 -0.893 -6.546 1.00 0.00 C ATOM 732 CD1 LEU A 48 -7.417 -1.249 -5.055 1.00 0.00 C ATOM 733 CD2 LEU A 48 -8.567 -1.732 -7.252 1.00 0.00 C ATOM 0 H LEU A 48 -9.695 -0.733 -5.619 1.00 0.00 H new ATOM 0 HA LEU A 48 -8.356 1.749 -5.042 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.048 0.774 -7.801 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.837 1.164 -6.595 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.522 -1.124 -6.985 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.225 -2.316 -4.945 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.610 -0.685 -4.587 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.362 -0.999 -4.573 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.364 -2.791 -7.094 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -9.547 -1.486 -6.844 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.554 -1.516 -8.320 1.00 0.00 H new ATOM 745 N ASP A 49 -10.794 1.652 -7.263 1.00 0.00 N ATOM 746 CA ASP A 49 -11.697 2.510 -8.091 1.00 0.00 C ATOM 747 C ASP A 49 -12.244 3.658 -7.234 1.00 0.00 C ATOM 748 O ASP A 49 -12.515 4.736 -7.728 1.00 0.00 O ATOM 749 CB ASP A 49 -12.859 1.664 -8.612 1.00 0.00 C ATOM 750 CG ASP A 49 -12.334 0.636 -9.615 1.00 0.00 C ATOM 751 OD1 ASP A 49 -11.628 -0.265 -9.194 1.00 0.00 O ATOM 752 OD2 ASP A 49 -12.647 0.767 -10.787 1.00 0.00 O ATOM 0 H ASP A 49 -11.069 0.672 -7.202 1.00 0.00 H new ATOM 0 HA ASP A 49 -11.138 2.922 -8.931 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -13.355 1.158 -7.783 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -13.604 2.303 -9.087 1.00 0.00 H new ATOM 757 N LEU A 50 -12.400 3.430 -5.955 1.00 0.00 N ATOM 758 CA LEU A 50 -12.923 4.502 -5.056 1.00 0.00 C ATOM 759 C LEU A 50 -11.760 5.099 -4.257 1.00 0.00 C ATOM 760 O LEU A 50 -11.736 6.281 -3.969 1.00 0.00 O ATOM 761 CB LEU A 50 -13.956 3.907 -4.091 1.00 0.00 C ATOM 762 CG LEU A 50 -15.010 3.123 -4.879 1.00 0.00 C ATOM 763 CD1 LEU A 50 -15.782 2.206 -3.929 1.00 0.00 C ATOM 764 CD2 LEU A 50 -15.984 4.102 -5.542 1.00 0.00 C ATOM 0 H LEU A 50 -12.187 2.546 -5.494 1.00 0.00 H new ATOM 0 HA LEU A 50 -13.397 5.281 -5.653 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -13.462 3.251 -3.374 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -14.433 4.703 -3.519 1.00 0.00 H new ATOM 0 HG LEU A 50 -14.517 2.523 -5.644 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -16.532 1.649 -4.491 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -15.091 1.509 -3.455 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -16.274 2.806 -3.164 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -16.734 3.545 -6.103 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -16.475 4.702 -4.776 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -15.437 4.757 -6.220 1.00 0.00 H new ATOM 776 N LEU A 51 -10.795 4.288 -3.905 1.00 0.00 N ATOM 777 CA LEU A 51 -9.622 4.792 -3.130 1.00 0.00 C ATOM 778 C LEU A 51 -8.815 5.745 -4.015 1.00 0.00 C ATOM 779 O LEU A 51 -8.363 6.783 -3.572 1.00 0.00 O ATOM 780 CB LEU A 51 -8.743 3.609 -2.709 1.00 0.00 C ATOM 781 CG LEU A 51 -7.724 4.061 -1.661 1.00 0.00 C ATOM 782 CD1 LEU A 51 -8.391 4.108 -0.286 1.00 0.00 C ATOM 783 CD2 LEU A 51 -6.557 3.070 -1.624 1.00 0.00 C ATOM 0 H LEU A 51 -10.770 3.292 -4.123 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.964 5.319 -2.239 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.364 2.810 -2.304 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -8.227 3.202 -3.578 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.354 5.053 -1.920 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.664 4.430 0.460 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.223 4.811 -0.309 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.761 3.116 -0.027 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.830 3.391 -0.878 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.929 2.079 -1.365 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.079 3.034 -2.603 1.00 0.00 H new ATOM 795 N ARG A 52 -8.639 5.399 -5.267 1.00 0.00 N ATOM 796 CA ARG A 52 -7.868 6.278 -6.200 1.00 0.00 C ATOM 797 C ARG A 52 -8.506 7.670 -6.255 1.00 0.00 C ATOM 798 O ARG A 52 -7.847 8.652 -6.541 1.00 0.00 O ATOM 799 CB ARG A 52 -7.873 5.658 -7.598 1.00 0.00 C ATOM 800 CG ARG A 52 -6.867 4.506 -7.647 1.00 0.00 C ATOM 801 CD ARG A 52 -7.222 3.566 -8.800 1.00 0.00 C ATOM 802 NE ARG A 52 -7.328 4.350 -10.068 1.00 0.00 N ATOM 803 CZ ARG A 52 -7.573 3.762 -11.223 1.00 0.00 C ATOM 804 NH1 ARG A 52 -7.738 2.462 -11.311 1.00 0.00 N ATOM 805 NH2 ARG A 52 -7.653 4.489 -12.303 1.00 0.00 N ATOM 0 H ARG A 52 -8.998 4.541 -5.685 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.843 6.371 -5.842 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -8.871 5.294 -7.843 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.616 6.411 -8.343 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.858 4.896 -7.780 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.877 3.961 -6.703 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.460 2.793 -8.901 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.165 3.060 -8.593 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.208 5.363 -10.040 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.678 1.882 -10.474 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.926 2.032 -12.217 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.527 5.500 -12.248 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.842 4.047 -13.203 1.00 0.00 H new ATOM 819 N MET A 53 -9.785 7.760 -5.983 1.00 0.00 N ATOM 820 CA MET A 53 -10.473 9.082 -6.015 1.00 0.00 C ATOM 821 C MET A 53 -10.753 9.592 -4.584 1.00 0.00 C ATOM 822 O MET A 53 -11.309 10.660 -4.406 1.00 0.00 O ATOM 823 CB MET A 53 -11.781 8.947 -6.820 1.00 0.00 C ATOM 824 CG MET A 53 -12.838 8.158 -6.029 1.00 0.00 C ATOM 825 SD MET A 53 -14.401 8.168 -6.938 1.00 0.00 S ATOM 826 CE MET A 53 -15.297 9.276 -5.823 1.00 0.00 C ATOM 0 H MET A 53 -10.382 6.970 -5.740 1.00 0.00 H new ATOM 0 HA MET A 53 -9.827 9.815 -6.499 1.00 0.00 H new ATOM 0 HB2 MET A 53 -12.167 9.937 -7.061 1.00 0.00 H new ATOM 0 HB3 MET A 53 -11.580 8.444 -7.766 1.00 0.00 H new ATOM 0 HG2 MET A 53 -12.502 7.133 -5.874 1.00 0.00 H new ATOM 0 HG3 MET A 53 -12.976 8.601 -5.043 1.00 0.00 H new ATOM 0 HE1 MET A 53 -16.310 9.427 -6.197 1.00 0.00 H new ATOM 0 HE2 MET A 53 -15.340 8.834 -4.828 1.00 0.00 H new ATOM 0 HE3 MET A 53 -14.782 10.235 -5.772 1.00 0.00 H new ATOM 836 N LYS A 54 -10.379 8.843 -3.570 1.00 0.00 N ATOM 837 CA LYS A 54 -10.631 9.294 -2.168 1.00 0.00 C ATOM 838 C LYS A 54 -9.308 9.669 -1.491 1.00 0.00 C ATOM 839 O LYS A 54 -9.279 10.460 -0.568 1.00 0.00 O ATOM 840 CB LYS A 54 -11.305 8.164 -1.383 1.00 0.00 C ATOM 841 CG LYS A 54 -12.354 8.751 -0.435 1.00 0.00 C ATOM 842 CD LYS A 54 -11.657 9.558 0.663 1.00 0.00 C ATOM 843 CE LYS A 54 -12.613 9.749 1.842 1.00 0.00 C ATOM 844 NZ LYS A 54 -11.826 9.962 3.090 1.00 0.00 N ATOM 0 H LYS A 54 -9.911 7.941 -3.656 1.00 0.00 H new ATOM 0 HA LYS A 54 -11.282 10.168 -2.185 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -11.775 7.460 -2.070 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.559 7.607 -0.816 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -13.043 9.389 -0.988 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -12.947 7.951 0.008 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -10.756 9.041 0.992 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.345 10.527 0.274 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -13.265 10.603 1.660 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -13.255 8.875 1.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -12.382 9.644 3.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.941 9.418 3.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.605 10.973 3.193 1.00 0.00 H new ATOM 858 N VAL A 55 -8.214 9.102 -1.940 1.00 0.00 N ATOM 859 CA VAL A 55 -6.889 9.418 -1.323 1.00 0.00 C ATOM 860 C VAL A 55 -6.595 10.916 -1.444 1.00 0.00 C ATOM 861 O VAL A 55 -7.166 11.606 -2.266 1.00 0.00 O ATOM 862 CB VAL A 55 -5.788 8.632 -2.041 1.00 0.00 C ATOM 863 CG1 VAL A 55 -5.935 7.136 -1.738 1.00 0.00 C ATOM 864 CG2 VAL A 55 -5.895 8.869 -3.551 1.00 0.00 C ATOM 0 H VAL A 55 -8.183 8.433 -2.709 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.916 9.140 -0.269 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.814 8.971 -1.689 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.149 6.582 -2.251 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.852 6.972 -0.664 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.909 6.789 -2.083 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.112 8.310 -4.063 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.870 8.534 -3.904 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.779 9.932 -3.762 1.00 0.00 H new ATOM 874 N GLU A 56 -5.699 11.417 -0.630 1.00 0.00 N ATOM 875 CA GLU A 56 -5.349 12.866 -0.687 1.00 0.00 C ATOM 876 C GLU A 56 -3.881 13.010 -1.093 1.00 0.00 C ATOM 877 O GLU A 56 -3.020 12.324 -0.579 1.00 0.00 O ATOM 878 CB GLU A 56 -5.562 13.496 0.692 1.00 0.00 C ATOM 879 CG GLU A 56 -6.056 14.934 0.527 1.00 0.00 C ATOM 880 CD GLU A 56 -7.584 14.959 0.573 1.00 0.00 C ATOM 881 OE1 GLU A 56 -8.194 14.437 -0.345 1.00 0.00 O ATOM 882 OE2 GLU A 56 -8.120 15.500 1.527 1.00 0.00 O ATOM 0 H GLU A 56 -5.193 10.880 0.075 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.983 13.370 -1.416 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.287 12.914 1.261 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.630 13.483 1.257 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.648 15.563 1.318 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.704 15.344 -0.419 1.00 0.00 H new ATOM 889 N GLU A 57 -3.587 13.894 -2.013 1.00 0.00 N ATOM 890 CA GLU A 57 -2.168 14.079 -2.463 1.00 0.00 C ATOM 891 C GLU A 57 -1.255 14.321 -1.255 1.00 0.00 C ATOM 892 O GLU A 57 -1.214 15.401 -0.698 1.00 0.00 O ATOM 893 CB GLU A 57 -2.084 15.272 -3.419 1.00 0.00 C ATOM 894 CG GLU A 57 -2.656 16.519 -2.743 1.00 0.00 C ATOM 895 CD GLU A 57 -3.331 17.404 -3.791 1.00 0.00 C ATOM 896 OE1 GLU A 57 -2.807 17.491 -4.890 1.00 0.00 O ATOM 897 OE2 GLU A 57 -4.361 17.978 -3.479 1.00 0.00 O ATOM 0 H GLU A 57 -4.268 14.498 -2.474 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.840 13.176 -2.977 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.047 15.447 -3.707 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.637 15.057 -4.333 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.376 16.232 -1.976 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.861 17.072 -2.243 1.00 0.00 H new ATOM 904 N GLY A 58 -0.527 13.311 -0.856 1.00 0.00 N ATOM 905 CA GLY A 58 0.389 13.452 0.312 1.00 0.00 C ATOM 906 C GLY A 58 -0.115 12.587 1.472 1.00 0.00 C ATOM 907 O GLY A 58 0.206 12.839 2.620 1.00 0.00 O ATOM 0 H GLY A 58 -0.528 12.389 -1.293 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.399 13.150 0.033 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.442 14.496 0.621 1.00 0.00 H new ATOM 911 N ASP A 59 -0.901 11.573 1.190 1.00 0.00 N ATOM 912 CA ASP A 59 -1.419 10.700 2.286 1.00 0.00 C ATOM 913 C ASP A 59 -0.601 9.412 2.356 1.00 0.00 C ATOM 914 O ASP A 59 0.499 9.335 1.842 1.00 0.00 O ATOM 915 CB ASP A 59 -2.907 10.386 2.038 1.00 0.00 C ATOM 916 CG ASP A 59 -3.078 9.453 0.830 1.00 0.00 C ATOM 917 OD1 ASP A 59 -2.818 8.271 0.982 1.00 0.00 O ATOM 918 OD2 ASP A 59 -3.466 9.934 -0.219 1.00 0.00 O ATOM 0 H ASP A 59 -1.204 11.315 0.251 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.325 11.220 3.240 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.337 9.921 2.925 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.454 11.313 1.867 1.00 0.00 H new ATOM 923 N VAL A 60 -1.133 8.408 3.002 1.00 0.00 N ATOM 924 CA VAL A 60 -0.394 7.129 3.125 1.00 0.00 C ATOM 925 C VAL A 60 -1.367 5.954 2.922 1.00 0.00 C ATOM 926 O VAL A 60 -2.373 5.844 3.598 1.00 0.00 O ATOM 927 CB VAL A 60 0.293 7.100 4.507 1.00 0.00 C ATOM 928 CG1 VAL A 60 -0.631 6.551 5.607 1.00 0.00 C ATOM 929 CG2 VAL A 60 1.544 6.241 4.410 1.00 0.00 C ATOM 0 H VAL A 60 -2.050 8.424 3.449 1.00 0.00 H new ATOM 0 HA VAL A 60 0.377 7.038 2.360 1.00 0.00 H new ATOM 0 HB VAL A 60 0.546 8.124 4.783 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.102 6.551 6.560 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.518 7.180 5.685 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.929 5.533 5.357 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.041 6.211 5.380 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.269 5.229 4.112 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.221 6.666 3.669 1.00 0.00 H new ATOM 939 N ILE A 61 -1.074 5.088 1.987 1.00 0.00 N ATOM 940 CA ILE A 61 -1.972 3.927 1.719 1.00 0.00 C ATOM 941 C ILE A 61 -1.316 2.638 2.222 1.00 0.00 C ATOM 942 O ILE A 61 -0.512 2.033 1.537 1.00 0.00 O ATOM 943 CB ILE A 61 -2.218 3.831 0.210 1.00 0.00 C ATOM 944 CG1 ILE A 61 -2.802 5.156 -0.290 1.00 0.00 C ATOM 945 CG2 ILE A 61 -3.198 2.694 -0.094 1.00 0.00 C ATOM 946 CD1 ILE A 61 -2.717 5.212 -1.815 1.00 0.00 C ATOM 0 H ILE A 61 -0.245 5.136 1.394 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.920 4.065 2.239 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.274 3.628 -0.295 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.840 5.251 0.030 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.256 5.993 0.146 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.365 2.636 -1.170 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.782 1.751 0.260 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.145 2.885 0.410 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.133 6.156 -2.168 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.675 5.137 -2.124 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.283 4.384 -2.242 1.00 0.00 H new ATOM 958 N LEU A 62 -1.661 2.212 3.410 1.00 0.00 N ATOM 959 CA LEU A 62 -1.069 0.959 3.961 1.00 0.00 C ATOM 960 C LEU A 62 -1.838 -0.244 3.410 1.00 0.00 C ATOM 961 O LEU A 62 -3.046 -0.326 3.534 1.00 0.00 O ATOM 962 CB LEU A 62 -1.170 0.974 5.488 1.00 0.00 C ATOM 963 CG LEU A 62 -0.072 0.084 6.084 1.00 0.00 C ATOM 964 CD1 LEU A 62 0.477 0.730 7.357 1.00 0.00 C ATOM 965 CD2 LEU A 62 -0.654 -1.291 6.421 1.00 0.00 C ATOM 0 H LEU A 62 -2.329 2.680 4.023 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.021 0.890 3.670 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.068 1.994 5.859 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.151 0.618 5.801 1.00 0.00 H new ATOM 0 HG LEU A 62 0.733 -0.030 5.358 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.257 0.096 7.779 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.894 1.708 7.118 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.328 0.846 8.082 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.127 -1.923 6.844 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.461 -1.177 7.145 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.043 -1.754 5.514 1.00 0.00 H new ATOM 977 N VAL A 63 -1.148 -1.174 2.798 1.00 0.00 N ATOM 978 CA VAL A 63 -1.836 -2.371 2.233 1.00 0.00 C ATOM 979 C VAL A 63 -1.396 -3.626 2.989 1.00 0.00 C ATOM 980 O VAL A 63 -0.322 -3.674 3.560 1.00 0.00 O ATOM 981 CB VAL A 63 -1.477 -2.516 0.753 1.00 0.00 C ATOM 982 CG1 VAL A 63 -2.305 -3.644 0.135 1.00 0.00 C ATOM 983 CG2 VAL A 63 -1.778 -1.205 0.023 1.00 0.00 C ATOM 0 H VAL A 63 -0.137 -1.154 2.666 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.914 -2.247 2.337 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.416 -2.749 0.659 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.049 -3.747 -0.920 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.091 -4.579 0.654 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.366 -3.411 0.230 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.522 -1.309 -1.031 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.838 -0.971 0.118 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.188 -0.400 0.462 1.00 0.00 H new ATOM 1207 N ILE A 77 0.813 -3.195 -9.382 1.00 0.00 N ATOM 1208 CA ILE A 77 1.623 -1.994 -9.747 1.00 0.00 C ATOM 1209 C ILE A 77 0.713 -0.913 -10.349 1.00 0.00 C ATOM 1210 O ILE A 77 1.059 0.253 -10.364 1.00 0.00 O ATOM 1211 CB ILE A 77 2.704 -2.406 -10.759 1.00 0.00 C ATOM 1212 CG1 ILE A 77 3.641 -3.432 -10.106 1.00 0.00 C ATOM 1213 CG2 ILE A 77 3.522 -1.180 -11.188 1.00 0.00 C ATOM 1214 CD1 ILE A 77 3.255 -4.844 -10.556 1.00 0.00 C ATOM 0 HA ILE A 77 2.100 -1.587 -8.856 1.00 0.00 H new ATOM 0 HB ILE A 77 2.224 -2.841 -11.636 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.674 -3.222 -10.382 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.579 -3.356 -9.020 1.00 0.00 H new ATOM 0 HG21 ILE A 77 4.285 -1.484 -11.905 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.862 -0.446 -11.650 1.00 0.00 H new ATOM 0 HG23 ILE A 77 4.001 -0.738 -10.314 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.922 -5.569 -10.090 1.00 0.00 H new ATOM 0 HD12 ILE A 77 2.227 -5.053 -10.258 1.00 0.00 H new ATOM 0 HD13 ILE A 77 3.340 -4.916 -11.640 1.00 0.00 H new ATOM 1226 N GLN A 78 -0.445 -1.284 -10.846 1.00 0.00 N ATOM 1227 CA GLN A 78 -1.366 -0.274 -11.446 1.00 0.00 C ATOM 1228 C GLN A 78 -1.733 0.781 -10.399 1.00 0.00 C ATOM 1229 O GLN A 78 -1.337 1.926 -10.503 1.00 0.00 O ATOM 1230 CB GLN A 78 -2.636 -0.968 -11.939 1.00 0.00 C ATOM 1231 CG GLN A 78 -3.133 -0.285 -13.212 1.00 0.00 C ATOM 1232 CD GLN A 78 -3.961 0.947 -12.841 1.00 0.00 C ATOM 1233 OE1 GLN A 78 -5.167 0.867 -12.710 1.00 0.00 O ATOM 1234 NE2 GLN A 78 -3.360 2.091 -12.661 1.00 0.00 N ATOM 0 H GLN A 78 -0.789 -2.244 -10.860 1.00 0.00 H new ATOM 0 HA GLN A 78 -0.868 0.211 -12.285 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.434 -2.021 -12.134 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.406 -0.929 -11.169 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -2.287 0.006 -13.835 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -3.736 -0.979 -13.798 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -2.348 2.158 -12.771 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -3.902 2.918 -12.410 1.00 0.00 H new ATOM 1243 N LEU A 79 -2.496 0.410 -9.396 1.00 0.00 N ATOM 1244 CA LEU A 79 -2.889 1.405 -8.352 1.00 0.00 C ATOM 1245 C LEU A 79 -1.643 2.016 -7.689 1.00 0.00 C ATOM 1246 O LEU A 79 -1.719 3.070 -7.091 1.00 0.00 O ATOM 1247 CB LEU A 79 -3.855 0.775 -7.308 1.00 0.00 C ATOM 1248 CG LEU A 79 -3.187 -0.239 -6.344 1.00 0.00 C ATOM 1249 CD1 LEU A 79 -2.371 -1.282 -7.104 1.00 0.00 C ATOM 1250 CD2 LEU A 79 -2.290 0.480 -5.331 1.00 0.00 C ATOM 0 H LEU A 79 -2.860 -0.533 -9.258 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.433 2.215 -8.838 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.305 1.574 -6.719 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.665 0.274 -7.838 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.988 -0.751 -5.811 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.918 -1.976 -6.396 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.024 -1.831 -7.782 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.588 -0.785 -7.677 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.833 -0.252 -4.666 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.510 1.027 -5.860 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.889 1.178 -4.746 1.00 0.00 H new ATOM 1262 N ILE A 80 -0.495 1.385 -7.809 1.00 0.00 N ATOM 1263 CA ILE A 80 0.740 1.960 -7.200 1.00 0.00 C ATOM 1264 C ILE A 80 1.198 3.125 -8.085 1.00 0.00 C ATOM 1265 O ILE A 80 1.563 4.176 -7.599 1.00 0.00 O ATOM 1266 CB ILE A 80 1.823 0.865 -7.106 1.00 0.00 C ATOM 1267 CG1 ILE A 80 1.429 -0.124 -6.002 1.00 0.00 C ATOM 1268 CG2 ILE A 80 3.192 1.475 -6.764 1.00 0.00 C ATOM 1269 CD1 ILE A 80 2.434 -1.280 -5.956 1.00 0.00 C ATOM 0 H ILE A 80 -0.365 0.501 -8.301 1.00 0.00 H new ATOM 0 HA ILE A 80 0.551 2.326 -6.191 1.00 0.00 H new ATOM 0 HB ILE A 80 1.898 0.360 -8.069 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.402 0.385 -5.038 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.426 -0.509 -6.187 1.00 0.00 H new ATOM 0 HG21 ILE A 80 3.938 0.683 -6.703 1.00 0.00 H new ATOM 0 HG22 ILE A 80 3.478 2.185 -7.540 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.131 1.991 -5.806 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.149 -1.979 -5.170 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.439 -1.796 -6.916 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.430 -0.888 -5.749 1.00 0.00 H new ATOM 1281 N LYS A 81 1.163 2.942 -9.381 1.00 0.00 N ATOM 1282 CA LYS A 81 1.576 4.034 -10.308 1.00 0.00 C ATOM 1283 C LYS A 81 0.556 5.169 -10.211 1.00 0.00 C ATOM 1284 O LYS A 81 0.892 6.333 -10.329 1.00 0.00 O ATOM 1285 CB LYS A 81 1.612 3.505 -11.745 1.00 0.00 C ATOM 1286 CG LYS A 81 2.390 2.181 -11.801 1.00 0.00 C ATOM 1287 CD LYS A 81 3.591 2.317 -12.743 1.00 0.00 C ATOM 1288 CE LYS A 81 3.269 1.656 -14.086 1.00 0.00 C ATOM 1289 NZ LYS A 81 4.328 2.004 -15.076 1.00 0.00 N ATOM 0 H LYS A 81 0.865 2.079 -9.836 1.00 0.00 H new ATOM 0 HA LYS A 81 2.568 4.395 -10.036 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.596 3.355 -12.111 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.081 4.240 -12.400 1.00 0.00 H new ATOM 0 HG2 LYS A 81 2.730 1.907 -10.802 1.00 0.00 H new ATOM 0 HG3 LYS A 81 1.736 1.380 -12.146 1.00 0.00 H new ATOM 0 HD2 LYS A 81 3.831 3.370 -12.893 1.00 0.00 H new ATOM 0 HD3 LYS A 81 4.470 1.850 -12.298 1.00 0.00 H new ATOM 0 HE2 LYS A 81 3.209 0.574 -13.966 1.00 0.00 H new ATOM 0 HE3 LYS A 81 2.296 1.991 -14.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 4.111 1.556 -15.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 4.364 3.036 -15.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 5.249 1.663 -14.734 1.00 0.00 H new ATOM 1303 N GLU A 82 -0.687 4.829 -9.992 1.00 0.00 N ATOM 1304 CA GLU A 82 -1.748 5.868 -9.878 1.00 0.00 C ATOM 1305 C GLU A 82 -1.480 6.727 -8.642 1.00 0.00 C ATOM 1306 O GLU A 82 -1.488 7.943 -8.706 1.00 0.00 O ATOM 1307 CB GLU A 82 -3.110 5.184 -9.744 1.00 0.00 C ATOM 1308 CG GLU A 82 -4.193 6.072 -10.358 1.00 0.00 C ATOM 1309 CD GLU A 82 -3.970 6.184 -11.867 1.00 0.00 C ATOM 1310 OE1 GLU A 82 -3.634 5.179 -12.473 1.00 0.00 O ATOM 1311 OE2 GLU A 82 -4.140 7.271 -12.394 1.00 0.00 O ATOM 0 H GLU A 82 -1.013 3.868 -9.887 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.745 6.500 -10.766 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.093 4.216 -10.244 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.332 4.996 -8.694 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.179 5.653 -10.156 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.168 7.062 -9.902 1.00 0.00 H new ATOM 1318 N PHE A 83 -1.234 6.100 -7.517 1.00 0.00 N ATOM 1319 CA PHE A 83 -0.955 6.872 -6.270 1.00 0.00 C ATOM 1320 C PHE A 83 0.422 7.534 -6.380 1.00 0.00 C ATOM 1321 O PHE A 83 0.667 8.572 -5.795 1.00 0.00 O ATOM 1322 CB PHE A 83 -0.969 5.926 -5.065 1.00 0.00 C ATOM 1323 CG PHE A 83 -2.375 5.422 -4.824 1.00 0.00 C ATOM 1324 CD1 PHE A 83 -3.438 6.328 -4.710 1.00 0.00 C ATOM 1325 CD2 PHE A 83 -2.618 4.047 -4.712 1.00 0.00 C ATOM 1326 CE1 PHE A 83 -4.738 5.859 -4.486 1.00 0.00 C ATOM 1327 CE2 PHE A 83 -3.918 3.579 -4.490 1.00 0.00 C ATOM 1328 CZ PHE A 83 -4.978 4.485 -4.376 1.00 0.00 C ATOM 0 H PHE A 83 -1.215 5.086 -7.411 1.00 0.00 H new ATOM 0 HA PHE A 83 -1.720 7.637 -6.139 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -0.298 5.086 -5.243 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.602 6.445 -4.179 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.254 7.389 -4.795 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.800 3.347 -4.797 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -5.556 6.558 -4.398 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -4.103 2.518 -4.407 1.00 0.00 H new ATOM 0 HZ PHE A 83 -5.981 4.124 -4.203 1.00 0.00 H new ATOM 1338 N ASP A 84 1.321 6.940 -7.128 1.00 0.00 N ATOM 1339 CA ASP A 84 2.685 7.526 -7.284 1.00 0.00 C ATOM 1340 C ASP A 84 2.578 8.904 -7.941 1.00 0.00 C ATOM 1341 O ASP A 84 3.324 9.811 -7.624 1.00 0.00 O ATOM 1342 CB ASP A 84 3.533 6.610 -8.170 1.00 0.00 C ATOM 1343 CG ASP A 84 5.011 6.775 -7.811 1.00 0.00 C ATOM 1344 OD1 ASP A 84 5.330 6.668 -6.636 1.00 0.00 O ATOM 1345 OD2 ASP A 84 5.798 7.005 -8.712 1.00 0.00 O ATOM 0 H ASP A 84 1.165 6.071 -7.638 1.00 0.00 H new ATOM 0 HA ASP A 84 3.151 7.624 -6.304 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.229 5.572 -8.034 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.374 6.854 -9.220 1.00 0.00 H new ATOM 1350 N ALA A 85 1.658 9.059 -8.856 1.00 0.00 N ATOM 1351 CA ALA A 85 1.492 10.372 -9.547 1.00 0.00 C ATOM 1352 C ALA A 85 0.659 11.323 -8.681 1.00 0.00 C ATOM 1353 O ALA A 85 0.744 12.529 -8.821 1.00 0.00 O ATOM 1354 CB ALA A 85 0.785 10.155 -10.885 1.00 0.00 C ATOM 0 H ALA A 85 1.011 8.329 -9.156 1.00 0.00 H new ATOM 0 HA ALA A 85 2.475 10.812 -9.715 1.00 0.00 H new ATOM 0 HB1 ALA A 85 0.663 11.112 -11.391 1.00 0.00 H new ATOM 0 HB2 ALA A 85 1.382 9.489 -11.508 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -0.194 9.709 -10.711 1.00 0.00 H new ATOM 1360 N GLN A 86 -0.150 10.796 -7.792 1.00 0.00 N ATOM 1361 CA GLN A 86 -0.989 11.673 -6.925 1.00 0.00 C ATOM 1362 C GLN A 86 -0.172 12.190 -5.730 1.00 0.00 C ATOM 1363 O GLN A 86 -0.695 12.890 -4.882 1.00 0.00 O ATOM 1364 CB GLN A 86 -2.197 10.869 -6.421 1.00 0.00 C ATOM 1365 CG GLN A 86 -3.480 11.394 -7.069 1.00 0.00 C ATOM 1366 CD GLN A 86 -4.507 10.264 -7.161 1.00 0.00 C ATOM 1367 OE1 GLN A 86 -4.458 9.318 -6.401 1.00 0.00 O ATOM 1368 NE2 GLN A 86 -5.444 10.323 -8.069 1.00 0.00 N ATOM 0 H GLN A 86 -0.263 9.795 -7.632 1.00 0.00 H new ATOM 0 HA GLN A 86 -1.329 12.531 -7.505 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -2.066 9.813 -6.657 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -2.269 10.946 -5.336 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -3.884 12.220 -6.483 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -3.264 11.785 -8.063 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -5.486 11.117 -8.708 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -6.134 9.575 -8.139 1.00 0.00 H new ATOM 1377 N GLY A 87 1.098 11.857 -5.645 1.00 0.00 N ATOM 1378 CA GLY A 87 1.924 12.337 -4.498 1.00 0.00 C ATOM 1379 C GLY A 87 1.494 11.602 -3.228 1.00 0.00 C ATOM 1380 O GLY A 87 1.560 12.137 -2.138 1.00 0.00 O ATOM 0 H GLY A 87 1.592 11.275 -6.321 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.981 12.159 -4.696 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.800 13.412 -4.370 1.00 0.00 H new ATOM 1384 N VAL A 88 1.052 10.380 -3.368 1.00 0.00 N ATOM 1385 CA VAL A 88 0.608 9.594 -2.181 1.00 0.00 C ATOM 1386 C VAL A 88 1.613 8.471 -1.911 1.00 0.00 C ATOM 1387 O VAL A 88 2.275 7.987 -2.809 1.00 0.00 O ATOM 1388 CB VAL A 88 -0.783 9.008 -2.459 1.00 0.00 C ATOM 1389 CG1 VAL A 88 -1.252 8.170 -1.265 1.00 0.00 C ATOM 1390 CG2 VAL A 88 -1.773 10.152 -2.688 1.00 0.00 C ATOM 0 H VAL A 88 0.979 9.890 -4.260 1.00 0.00 H new ATOM 0 HA VAL A 88 0.556 10.239 -1.304 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.732 8.373 -3.343 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.240 7.760 -1.474 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.549 7.355 -1.094 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.301 8.799 -0.376 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.763 9.742 -2.886 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.812 10.782 -1.800 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.450 10.748 -3.542 1.00 0.00 H new ATOM 1400 N SER A 89 1.728 8.060 -0.674 1.00 0.00 N ATOM 1401 CA SER A 89 2.686 6.972 -0.325 1.00 0.00 C ATOM 1402 C SER A 89 1.917 5.669 -0.111 1.00 0.00 C ATOM 1403 O SER A 89 0.712 5.672 0.062 1.00 0.00 O ATOM 1404 CB SER A 89 3.428 7.342 0.960 1.00 0.00 C ATOM 1405 OG SER A 89 4.645 8.000 0.628 1.00 0.00 O ATOM 0 H SER A 89 1.196 8.434 0.112 1.00 0.00 H new ATOM 0 HA SER A 89 3.403 6.843 -1.135 1.00 0.00 H new ATOM 0 HB2 SER A 89 2.807 7.991 1.578 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.634 6.446 1.546 1.00 0.00 H new ATOM 0 HG SER A 89 5.122 8.240 1.450 1.00 0.00 H new ATOM 1411 N ILE A 90 2.605 4.555 -0.113 1.00 0.00 N ATOM 1412 CA ILE A 90 1.916 3.247 0.099 1.00 0.00 C ATOM 1413 C ILE A 90 2.825 2.320 0.907 1.00 0.00 C ATOM 1414 O ILE A 90 3.880 1.919 0.450 1.00 0.00 O ATOM 1415 CB ILE A 90 1.595 2.591 -1.248 1.00 0.00 C ATOM 1416 CG1 ILE A 90 0.925 3.616 -2.179 1.00 0.00 C ATOM 1417 CG2 ILE A 90 0.648 1.408 -1.011 1.00 0.00 C ATOM 1418 CD1 ILE A 90 0.580 2.961 -3.520 1.00 0.00 C ATOM 0 H ILE A 90 3.614 4.495 -0.252 1.00 0.00 H new ATOM 0 HA ILE A 90 0.986 3.421 0.640 1.00 0.00 H new ATOM 0 HB ILE A 90 2.515 2.239 -1.715 1.00 0.00 H new ATOM 0 HG12 ILE A 90 0.020 4.006 -1.712 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.592 4.463 -2.340 1.00 0.00 H new ATOM 0 HG21 ILE A 90 0.413 0.934 -1.964 1.00 0.00 H new ATOM 0 HG22 ILE A 90 1.128 0.683 -0.354 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -0.271 1.765 -0.547 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.106 3.695 -4.172 1.00 0.00 H new ATOM 0 HD12 ILE A 90 1.492 2.593 -3.990 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.104 2.129 -3.353 1.00 0.00 H new ATOM 1430 N ARG A 91 2.421 1.980 2.104 1.00 0.00 N ATOM 1431 CA ARG A 91 3.253 1.078 2.953 1.00 0.00 C ATOM 1432 C ARG A 91 2.777 -0.365 2.775 1.00 0.00 C ATOM 1433 O ARG A 91 1.628 -0.612 2.458 1.00 0.00 O ATOM 1434 CB ARG A 91 3.107 1.482 4.422 1.00 0.00 C ATOM 1435 CG ARG A 91 3.394 2.976 4.578 1.00 0.00 C ATOM 1436 CD ARG A 91 3.211 3.380 6.041 1.00 0.00 C ATOM 1437 NE ARG A 91 4.059 4.576 6.340 1.00 0.00 N ATOM 1438 CZ ARG A 91 4.227 5.009 7.575 1.00 0.00 C ATOM 1439 NH1 ARG A 91 3.654 4.414 8.596 1.00 0.00 N ATOM 1440 NH2 ARG A 91 4.978 6.055 7.787 1.00 0.00 N ATOM 0 H ARG A 91 1.548 2.290 2.531 1.00 0.00 H new ATOM 0 HA ARG A 91 4.298 1.159 2.655 1.00 0.00 H new ATOM 0 HB2 ARG A 91 2.100 1.257 4.772 1.00 0.00 H new ATOM 0 HB3 ARG A 91 3.795 0.904 5.038 1.00 0.00 H new ATOM 0 HG2 ARG A 91 4.410 3.198 4.253 1.00 0.00 H new ATOM 0 HG3 ARG A 91 2.723 3.554 3.943 1.00 0.00 H new ATOM 0 HD2 ARG A 91 2.163 3.606 6.238 1.00 0.00 H new ATOM 0 HD3 ARG A 91 3.487 2.553 6.695 1.00 0.00 H new ATOM 0 HE ARG A 91 4.517 5.067 5.572 1.00 0.00 H new ATOM 0 HH11 ARG A 91 3.063 3.597 8.444 1.00 0.00 H new ATOM 0 HH12 ARG A 91 3.800 4.769 9.541 1.00 0.00 H new ATOM 0 HH21 ARG A 91 5.427 6.528 7.003 1.00 0.00 H new ATOM 0 HH22 ARG A 91 5.116 6.400 8.737 1.00 0.00 H new ATOM 1454 N PHE A 92 3.651 -1.318 2.981 1.00 0.00 N ATOM 1455 CA PHE A 92 3.256 -2.747 2.829 1.00 0.00 C ATOM 1456 C PHE A 92 3.667 -3.510 4.087 1.00 0.00 C ATOM 1457 O PHE A 92 4.838 -3.601 4.408 1.00 0.00 O ATOM 1458 CB PHE A 92 3.966 -3.340 1.610 1.00 0.00 C ATOM 1459 CG PHE A 92 3.482 -2.644 0.360 1.00 0.00 C ATOM 1460 CD1 PHE A 92 3.840 -1.313 0.114 1.00 0.00 C ATOM 1461 CD2 PHE A 92 2.673 -3.332 -0.554 1.00 0.00 C ATOM 1462 CE1 PHE A 92 3.391 -0.668 -1.045 1.00 0.00 C ATOM 1463 CE2 PHE A 92 2.223 -2.686 -1.713 1.00 0.00 C ATOM 1464 CZ PHE A 92 2.581 -1.356 -1.958 1.00 0.00 C ATOM 0 H PHE A 92 4.623 -1.165 3.249 1.00 0.00 H new ATOM 0 HA PHE A 92 2.178 -2.825 2.690 1.00 0.00 H new ATOM 0 HB2 PHE A 92 5.045 -3.222 1.711 1.00 0.00 H new ATOM 0 HB3 PHE A 92 3.767 -4.410 1.544 1.00 0.00 H new ATOM 0 HD1 PHE A 92 4.463 -0.783 0.819 1.00 0.00 H new ATOM 0 HD2 PHE A 92 2.397 -4.359 -0.365 1.00 0.00 H new ATOM 0 HE1 PHE A 92 3.669 0.358 -1.235 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.599 -3.215 -2.418 1.00 0.00 H new ATOM 0 HZ PHE A 92 2.233 -0.859 -2.852 1.00 0.00 H new ATOM 1474 N ILE A 93 2.712 -4.053 4.806 1.00 0.00 N ATOM 1475 CA ILE A 93 3.040 -4.807 6.054 1.00 0.00 C ATOM 1476 C ILE A 93 3.784 -6.099 5.688 1.00 0.00 C ATOM 1477 O ILE A 93 3.239 -7.185 5.739 1.00 0.00 O ATOM 1478 CB ILE A 93 1.743 -5.125 6.817 1.00 0.00 C ATOM 1479 CG1 ILE A 93 2.071 -5.888 8.104 1.00 0.00 C ATOM 1480 CG2 ILE A 93 0.815 -5.971 5.944 1.00 0.00 C ATOM 1481 CD1 ILE A 93 2.876 -4.985 9.042 1.00 0.00 C ATOM 0 H ILE A 93 1.719 -4.005 4.580 1.00 0.00 H new ATOM 0 HA ILE A 93 3.682 -4.203 6.695 1.00 0.00 H new ATOM 0 HB ILE A 93 1.244 -4.189 7.068 1.00 0.00 H new ATOM 0 HG12 ILE A 93 1.152 -6.210 8.593 1.00 0.00 H new ATOM 0 HG13 ILE A 93 2.640 -6.788 7.871 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -0.101 -6.191 6.493 1.00 0.00 H new ATOM 0 HG22 ILE A 93 0.570 -5.422 5.035 1.00 0.00 H new ATOM 0 HG23 ILE A 93 1.313 -6.904 5.681 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.109 -5.528 9.958 1.00 0.00 H new ATOM 0 HD12 ILE A 93 3.802 -4.685 8.552 1.00 0.00 H new ATOM 0 HD13 ILE A 93 2.290 -4.098 9.285 1.00 0.00 H new