USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 552 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 4 TYR OH : rot 165:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0.803 K(o=0.8,f=0) USER MOD Single : A 7 THR OG1 : rot 77:sc= 0.121 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000992) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0.433 K(o=0.43,f=-7.7!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HE2:sc= 0.484 K(o=0.48,f=-2.7!) USER MOD Single : A 34 LYS NZ :NH3+ -153:sc= -0.159 (180deg=-1.19) USER MOD Single : A 35 ASN : amide:sc= -4.29! C(o=-4.3!,f=-4.3!) USER MOD Single : A 36 LYS NZ :NH3+ 156:sc= 1.25 (180deg=1.15) USER MOD Single : A 43 LYS NZ :NH3+ 144:sc= 1.24 (180deg=0.591) USER MOD Single : A 45 LYS NZ :NH3+ 146:sc= -0.09 (180deg=-1.2) USER MOD Single : A 51 TYR OH : rot -22:sc= 0.84 USER MOD Single : A 55 SER OG : rot -94:sc= 1.21 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 47 N ASP A 3 9.291 -2.637 1.710 1.00 0.00 N ATOM 48 CA ASP A 3 8.864 -1.381 1.113 1.00 0.00 C ATOM 49 C ASP A 3 7.340 -1.405 1.029 1.00 0.00 C ATOM 50 O ASP A 3 6.726 -2.478 1.026 1.00 0.00 O ATOM 51 CB ASP A 3 9.485 -1.225 -0.281 1.00 0.00 C ATOM 52 CG ASP A 3 8.977 0.042 -0.958 1.00 0.00 C ATOM 53 OD1 ASP A 3 9.435 1.137 -0.564 1.00 0.00 O ATOM 54 OD2 ASP A 3 8.072 -0.046 -1.815 1.00 0.00 O ATOM 0 HA ASP A 3 9.191 -0.534 1.716 1.00 0.00 H new ATOM 0 HB2 ASP A 3 10.571 -1.189 -0.199 1.00 0.00 H new ATOM 0 HB3 ASP A 3 9.240 -2.093 -0.893 1.00 0.00 H new ATOM 59 N TYR A 4 6.732 -0.231 0.889 1.00 0.00 N ATOM 60 CA TYR A 4 5.298 -0.036 0.986 1.00 0.00 C ATOM 61 C TYR A 4 4.577 -0.590 -0.238 1.00 0.00 C ATOM 62 O TYR A 4 3.417 -0.974 -0.114 1.00 0.00 O ATOM 63 CB TYR A 4 5.043 1.461 1.129 1.00 0.00 C ATOM 64 CG TYR A 4 5.494 1.996 2.473 1.00 0.00 C ATOM 65 CD1 TYR A 4 4.690 1.793 3.606 1.00 0.00 C ATOM 66 CD2 TYR A 4 6.743 2.627 2.615 1.00 0.00 C ATOM 67 CE1 TYR A 4 5.090 2.283 4.855 1.00 0.00 C ATOM 68 CE2 TYR A 4 7.144 3.141 3.862 1.00 0.00 C ATOM 69 CZ TYR A 4 6.289 3.013 4.981 1.00 0.00 C ATOM 70 OH TYR A 4 6.588 3.538 6.195 1.00 0.00 O ATOM 0 H TYR A 4 7.242 0.632 0.700 1.00 0.00 H new ATOM 0 HA TYR A 4 4.910 -0.575 1.850 1.00 0.00 H new ATOM 0 HB2 TYR A 4 5.566 1.994 0.335 1.00 0.00 H new ATOM 0 HB3 TYR A 4 3.979 1.660 1.000 1.00 0.00 H new ATOM 0 HD1 TYR A 4 3.758 1.256 3.513 1.00 0.00 H new ATOM 0 HD2 TYR A 4 7.398 2.718 1.761 1.00 0.00 H new ATOM 0 HE1 TYR A 4 4.477 2.101 5.726 1.00 0.00 H new ATOM 0 HE2 TYR A 4 8.101 3.631 3.964 1.00 0.00 H new ATOM 0 HH TYR A 4 7.531 3.803 6.213 1.00 0.00 H new ATOM 80 N TYR A 5 5.252 -0.735 -1.385 1.00 0.00 N ATOM 81 CA TYR A 5 4.717 -1.485 -2.507 1.00 0.00 C ATOM 82 C TYR A 5 4.345 -2.894 -2.048 1.00 0.00 C ATOM 83 O TYR A 5 3.240 -3.373 -2.310 1.00 0.00 O ATOM 84 CB TYR A 5 5.771 -1.559 -3.619 1.00 0.00 C ATOM 85 CG TYR A 5 5.975 -0.342 -4.509 1.00 0.00 C ATOM 86 CD1 TYR A 5 5.496 0.942 -4.172 1.00 0.00 C ATOM 87 CD2 TYR A 5 6.694 -0.515 -5.707 1.00 0.00 C ATOM 88 CE1 TYR A 5 5.701 2.027 -5.043 1.00 0.00 C ATOM 89 CE2 TYR A 5 6.882 0.555 -6.594 1.00 0.00 C ATOM 90 CZ TYR A 5 6.381 1.830 -6.264 1.00 0.00 C ATOM 91 OH TYR A 5 6.557 2.853 -7.136 1.00 0.00 O ATOM 0 H TYR A 5 6.176 -0.336 -1.552 1.00 0.00 H new ATOM 0 HA TYR A 5 3.826 -0.987 -2.889 1.00 0.00 H new ATOM 0 HB2 TYR A 5 6.728 -1.793 -3.153 1.00 0.00 H new ATOM 0 HB3 TYR A 5 5.515 -2.401 -4.262 1.00 0.00 H new ATOM 0 HD1 TYR A 5 4.970 1.092 -3.241 1.00 0.00 H new ATOM 0 HD2 TYR A 5 7.106 -1.484 -5.946 1.00 0.00 H new ATOM 0 HE1 TYR A 5 5.339 3.009 -4.778 1.00 0.00 H new ATOM 0 HE2 TYR A 5 7.408 0.403 -7.525 1.00 0.00 H new ATOM 0 HH TYR A 5 7.047 2.532 -7.922 1.00 0.00 H new ATOM 101 N GLN A 6 5.270 -3.570 -1.365 1.00 0.00 N ATOM 102 CA GLN A 6 5.166 -5.003 -1.165 1.00 0.00 C ATOM 103 C GLN A 6 4.502 -5.359 0.158 1.00 0.00 C ATOM 104 O GLN A 6 3.923 -6.438 0.256 1.00 0.00 O ATOM 105 CB GLN A 6 6.552 -5.636 -1.319 1.00 0.00 C ATOM 106 CG GLN A 6 6.453 -7.097 -1.792 1.00 0.00 C ATOM 107 CD GLN A 6 7.547 -7.449 -2.793 1.00 0.00 C ATOM 108 OE1 GLN A 6 8.509 -8.146 -2.475 1.00 0.00 O ATOM 109 NE2 GLN A 6 7.425 -6.981 -4.021 1.00 0.00 N ATOM 0 H GLN A 6 6.095 -3.143 -0.945 1.00 0.00 H new ATOM 0 HA GLN A 6 4.510 -5.417 -1.931 1.00 0.00 H new ATOM 0 HB2 GLN A 6 7.139 -5.060 -2.034 1.00 0.00 H new ATOM 0 HB3 GLN A 6 7.080 -5.595 -0.366 1.00 0.00 H new ATOM 0 HG2 GLN A 6 6.522 -7.762 -0.931 1.00 0.00 H new ATOM 0 HG3 GLN A 6 5.477 -7.265 -2.248 1.00 0.00 H new ATOM 0 HE21 GLN A 6 6.621 -6.404 -4.269 1.00 0.00 H new ATOM 0 HE22 GLN A 6 8.134 -7.196 -4.722 1.00 0.00 H new ATOM 118 N THR A 7 4.455 -4.434 1.119 1.00 0.00 N ATOM 119 CA THR A 7 3.513 -4.533 2.236 1.00 0.00 C ATOM 120 C THR A 7 2.063 -4.609 1.734 1.00 0.00 C ATOM 121 O THR A 7 1.208 -5.183 2.406 1.00 0.00 O ATOM 122 CB THR A 7 3.722 -3.360 3.212 1.00 0.00 C ATOM 123 OG1 THR A 7 5.084 -3.291 3.591 1.00 0.00 O ATOM 124 CG2 THR A 7 2.892 -3.498 4.495 1.00 0.00 C ATOM 0 H THR A 7 5.056 -3.610 1.146 1.00 0.00 H new ATOM 0 HA THR A 7 3.709 -5.459 2.777 1.00 0.00 H new ATOM 0 HB THR A 7 3.402 -2.461 2.685 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.606 -2.890 2.865 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.080 -2.643 5.144 1.00 0.00 H new ATOM 0 HG22 THR A 7 1.833 -3.534 4.241 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.172 -4.415 5.013 1.00 0.00 H new ATOM 132 N LEU A 8 1.784 -4.089 0.534 1.00 0.00 N ATOM 133 CA LEU A 8 0.478 -4.191 -0.103 1.00 0.00 C ATOM 134 C LEU A 8 0.425 -5.340 -1.132 1.00 0.00 C ATOM 135 O LEU A 8 -0.588 -5.505 -1.810 1.00 0.00 O ATOM 136 CB LEU A 8 0.075 -2.815 -0.668 1.00 0.00 C ATOM 137 CG LEU A 8 -1.459 -2.611 -0.694 1.00 0.00 C ATOM 138 CD1 LEU A 8 -1.910 -1.308 -0.034 1.00 0.00 C ATOM 139 CD2 LEU A 8 -2.055 -2.624 -2.103 1.00 0.00 C ATOM 0 H LEU A 8 2.470 -3.581 -0.024 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.271 -4.463 0.640 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.532 -2.030 -0.065 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.469 -2.711 -1.679 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.827 -3.466 -0.127 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.996 -1.230 -0.088 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.597 -1.302 1.010 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.459 -0.462 -0.553 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.133 -2.476 -2.043 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.610 -1.823 -2.693 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.847 -3.583 -2.577 1.00 0.00 H new ATOM 151 N GLY A 9 1.470 -6.166 -1.240 1.00 0.00 N ATOM 152 CA GLY A 9 1.504 -7.346 -2.098 1.00 0.00 C ATOM 153 C GLY A 9 1.696 -6.995 -3.575 1.00 0.00 C ATOM 154 O GLY A 9 1.009 -7.556 -4.431 1.00 0.00 O ATOM 0 H GLY A 9 2.335 -6.026 -0.719 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.313 -8.001 -1.776 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.575 -7.904 -1.979 1.00 0.00 H new ATOM 158 N LEU A 10 2.580 -6.042 -3.884 1.00 0.00 N ATOM 159 CA LEU A 10 2.825 -5.530 -5.233 1.00 0.00 C ATOM 160 C LEU A 10 4.308 -5.179 -5.398 1.00 0.00 C ATOM 161 O LEU A 10 5.065 -5.313 -4.432 1.00 0.00 O ATOM 162 CB LEU A 10 2.038 -4.225 -5.437 1.00 0.00 C ATOM 163 CG LEU A 10 0.523 -4.280 -5.194 1.00 0.00 C ATOM 164 CD1 LEU A 10 0.092 -2.846 -4.937 1.00 0.00 C ATOM 165 CD2 LEU A 10 -0.246 -4.891 -6.369 1.00 0.00 C ATOM 0 H LEU A 10 3.163 -5.592 -3.178 1.00 0.00 H new ATOM 0 HA LEU A 10 2.522 -6.294 -5.949 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.460 -3.468 -4.776 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.205 -3.885 -6.459 1.00 0.00 H new ATOM 0 HG LEU A 10 0.298 -4.930 -4.348 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.982 -2.816 -4.756 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.618 -2.459 -4.064 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.331 -2.233 -5.806 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.311 -4.903 -6.139 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.075 -4.295 -7.265 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.100 -5.910 -6.540 1.00 0.00 H new ATOM 177 N ALA A 11 4.683 -4.670 -6.584 1.00 0.00 N ATOM 178 CA ALA A 11 5.868 -3.860 -6.906 1.00 0.00 C ATOM 179 C ALA A 11 6.187 -3.830 -8.402 1.00 0.00 C ATOM 180 O ALA A 11 5.960 -4.814 -9.103 1.00 0.00 O ATOM 181 CB ALA A 11 7.138 -4.279 -6.163 1.00 0.00 C ATOM 0 H ALA A 11 4.113 -4.830 -7.415 1.00 0.00 H new ATOM 0 HA ALA A 11 5.580 -2.865 -6.568 1.00 0.00 H new ATOM 0 HB1 ALA A 11 7.963 -3.631 -6.458 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.976 -4.193 -5.089 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.381 -5.312 -6.412 1.00 0.00 H new ATOM 187 N ARG A 12 6.778 -2.710 -8.857 1.00 0.00 N ATOM 188 CA ARG A 12 7.337 -2.444 -10.194 1.00 0.00 C ATOM 189 C ARG A 12 6.560 -3.147 -11.302 1.00 0.00 C ATOM 190 O ARG A 12 7.111 -3.882 -12.127 1.00 0.00 O ATOM 191 CB ARG A 12 8.865 -2.657 -10.252 1.00 0.00 C ATOM 192 CG ARG A 12 9.368 -4.041 -9.809 1.00 0.00 C ATOM 193 CD ARG A 12 9.999 -3.983 -8.410 1.00 0.00 C ATOM 194 NE ARG A 12 11.395 -3.530 -8.465 1.00 0.00 N ATOM 195 CZ ARG A 12 11.949 -2.459 -7.887 1.00 0.00 C ATOM 196 NH1 ARG A 12 11.235 -1.628 -7.138 1.00 0.00 N ATOM 197 NH2 ARG A 12 13.241 -2.239 -8.074 1.00 0.00 N ATOM 0 H ARG A 12 6.885 -1.900 -8.247 1.00 0.00 H new ATOM 0 HA ARG A 12 7.199 -1.381 -10.390 1.00 0.00 H new ATOM 0 HB2 ARG A 12 9.198 -2.481 -11.275 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.342 -1.902 -9.627 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.539 -4.748 -9.807 1.00 0.00 H new ATOM 0 HG3 ARG A 12 10.101 -4.411 -10.526 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.422 -3.309 -7.778 1.00 0.00 H new ATOM 0 HD3 ARG A 12 9.954 -4.970 -7.949 1.00 0.00 H new ATOM 0 HE ARG A 12 12.026 -4.110 -9.018 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.240 -1.800 -6.992 1.00 0.00 H new ATOM 0 HH12 ARG A 12 11.681 -0.818 -6.708 1.00 0.00 H new ATOM 0 HH21 ARG A 12 13.790 -2.879 -8.648 1.00 0.00 H new ATOM 0 HH22 ARG A 12 13.688 -1.429 -7.644 1.00 0.00 H new ATOM 211 N GLY A 13 5.259 -2.915 -11.320 1.00 0.00 N ATOM 212 CA GLY A 13 4.323 -3.556 -12.234 1.00 0.00 C ATOM 213 C GLY A 13 2.877 -3.402 -11.782 1.00 0.00 C ATOM 214 O GLY A 13 1.965 -3.861 -12.474 1.00 0.00 O ATOM 0 H GLY A 13 4.810 -2.258 -10.682 1.00 0.00 H new ATOM 0 HA2 GLY A 13 4.438 -3.126 -13.229 1.00 0.00 H new ATOM 0 HA3 GLY A 13 4.565 -4.616 -12.315 1.00 0.00 H new ATOM 218 N ALA A 14 2.642 -2.762 -10.636 1.00 0.00 N ATOM 219 CA ALA A 14 1.341 -2.278 -10.231 1.00 0.00 C ATOM 220 C ALA A 14 1.269 -0.788 -10.565 1.00 0.00 C ATOM 221 O ALA A 14 1.782 0.050 -9.816 1.00 0.00 O ATOM 222 CB ALA A 14 1.130 -2.577 -8.748 1.00 0.00 C ATOM 0 H ALA A 14 3.375 -2.566 -9.954 1.00 0.00 H new ATOM 0 HA ALA A 14 0.534 -2.780 -10.765 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.150 -2.213 -8.439 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.187 -3.653 -8.582 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.903 -2.079 -8.163 1.00 0.00 H new ATOM 228 N SER A 15 0.649 -0.468 -11.700 1.00 0.00 N ATOM 229 CA SER A 15 0.219 0.885 -12.032 1.00 0.00 C ATOM 230 C SER A 15 -0.844 1.339 -11.039 1.00 0.00 C ATOM 231 O SER A 15 -1.332 0.546 -10.232 1.00 0.00 O ATOM 232 CB SER A 15 -0.311 0.914 -13.473 1.00 0.00 C ATOM 233 OG SER A 15 -1.301 -0.079 -13.693 1.00 0.00 O ATOM 0 H SER A 15 0.429 -1.153 -12.423 1.00 0.00 H new ATOM 0 HA SER A 15 1.061 1.574 -11.966 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.730 1.898 -13.686 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.516 0.762 -14.167 1.00 0.00 H new ATOM 0 HG SER A 15 -1.615 -0.028 -14.620 1.00 0.00 H new ATOM 239 N ASP A 16 -1.241 2.608 -11.099 1.00 0.00 N ATOM 240 CA ASP A 16 -2.204 3.154 -10.152 1.00 0.00 C ATOM 241 C ASP A 16 -3.563 2.431 -10.190 1.00 0.00 C ATOM 242 O ASP A 16 -4.240 2.338 -9.167 1.00 0.00 O ATOM 243 CB ASP A 16 -2.355 4.671 -10.323 1.00 0.00 C ATOM 244 CG ASP A 16 -3.138 5.115 -11.559 1.00 0.00 C ATOM 245 OD1 ASP A 16 -3.126 4.415 -12.594 1.00 0.00 O ATOM 246 OD2 ASP A 16 -3.666 6.251 -11.537 1.00 0.00 O ATOM 0 H ASP A 16 -0.909 3.276 -11.795 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.799 2.971 -9.157 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.848 5.072 -9.438 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.361 5.116 -10.364 1.00 0.00 H new ATOM 251 N GLU A 17 -3.931 1.850 -11.334 1.00 0.00 N ATOM 252 CA GLU A 17 -5.159 1.097 -11.563 1.00 0.00 C ATOM 253 C GLU A 17 -5.020 -0.367 -11.175 1.00 0.00 C ATOM 254 O GLU A 17 -6.031 -1.063 -11.127 1.00 0.00 O ATOM 255 CB GLU A 17 -5.547 1.234 -13.048 1.00 0.00 C ATOM 256 CG GLU A 17 -6.863 1.988 -13.262 1.00 0.00 C ATOM 257 CD GLU A 17 -8.109 1.167 -12.916 1.00 0.00 C ATOM 258 OE1 GLU A 17 -8.579 1.205 -11.757 1.00 0.00 O ATOM 259 OE2 GLU A 17 -8.712 0.564 -13.835 1.00 0.00 O ATOM 0 H GLU A 17 -3.346 1.897 -12.169 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.944 1.508 -10.928 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.749 1.752 -13.579 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.630 0.240 -13.488 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.855 2.893 -12.655 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.925 2.304 -14.303 1.00 0.00 H new ATOM 266 N GLU A 18 -3.810 -0.845 -10.889 1.00 0.00 N ATOM 267 CA GLU A 18 -3.578 -2.120 -10.234 1.00 0.00 C ATOM 268 C GLU A 18 -3.468 -1.864 -8.729 1.00 0.00 C ATOM 269 O GLU A 18 -3.894 -2.689 -7.934 1.00 0.00 O ATOM 270 CB GLU A 18 -2.269 -2.721 -10.759 1.00 0.00 C ATOM 271 CG GLU A 18 -2.438 -4.124 -11.355 1.00 0.00 C ATOM 272 CD GLU A 18 -2.987 -5.175 -10.382 1.00 0.00 C ATOM 273 OE1 GLU A 18 -4.225 -5.341 -10.302 1.00 0.00 O ATOM 274 OE2 GLU A 18 -2.187 -5.947 -9.803 1.00 0.00 O ATOM 0 H GLU A 18 -2.951 -0.343 -11.113 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.393 -2.815 -10.436 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.853 -2.059 -11.519 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.546 -2.765 -9.945 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.106 -4.060 -12.214 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.472 -4.464 -11.727 1.00 0.00 H new ATOM 281 N ILE A 19 -2.933 -0.711 -8.322 1.00 0.00 N ATOM 282 CA ILE A 19 -2.776 -0.300 -6.939 1.00 0.00 C ATOM 283 C ILE A 19 -4.153 -0.111 -6.332 1.00 0.00 C ATOM 284 O ILE A 19 -4.481 -0.815 -5.393 1.00 0.00 O ATOM 285 CB ILE A 19 -1.868 0.943 -6.864 1.00 0.00 C ATOM 286 CG1 ILE A 19 -0.416 0.431 -6.919 1.00 0.00 C ATOM 287 CG2 ILE A 19 -2.115 1.803 -5.618 1.00 0.00 C ATOM 288 CD1 ILE A 19 0.628 1.521 -7.116 1.00 0.00 C ATOM 0 H ILE A 19 -2.585 -0.014 -8.980 1.00 0.00 H new ATOM 0 HA ILE A 19 -2.273 -1.063 -6.345 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.089 1.607 -7.700 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.196 -0.103 -5.994 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.328 -0.290 -7.732 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.443 2.661 -5.629 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.148 2.152 -5.615 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.930 1.209 -4.723 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.621 1.073 -7.143 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.439 2.041 -8.055 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.573 2.231 -6.291 1.00 0.00 H new ATOM 300 N LYS A 20 -4.995 0.785 -6.845 1.00 0.00 N ATOM 301 CA LYS A 20 -6.342 0.974 -6.328 1.00 0.00 C ATOM 302 C LYS A 20 -7.187 -0.305 -6.460 1.00 0.00 C ATOM 303 O LYS A 20 -8.085 -0.546 -5.654 1.00 0.00 O ATOM 304 CB LYS A 20 -6.919 2.202 -7.039 1.00 0.00 C ATOM 305 CG LYS A 20 -8.236 2.666 -6.416 1.00 0.00 C ATOM 306 CD LYS A 20 -8.562 4.117 -6.784 1.00 0.00 C ATOM 307 CE LYS A 20 -8.592 4.413 -8.289 1.00 0.00 C ATOM 308 NZ LYS A 20 -9.546 3.551 -9.010 1.00 0.00 N ATOM 0 H LYS A 20 -4.760 1.396 -7.627 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.342 1.163 -5.255 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.195 3.016 -7.000 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.080 1.968 -8.091 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.045 2.016 -6.750 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.178 2.571 -5.332 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.532 4.375 -6.359 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.825 4.769 -6.315 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.859 5.458 -8.446 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.594 4.273 -8.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -9.543 3.799 -10.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.268 2.555 -8.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -10.501 3.690 -8.622 1.00 0.00 H new ATOM 322 N ARG A 21 -6.849 -1.202 -7.387 1.00 0.00 N ATOM 323 CA ARG A 21 -7.373 -2.566 -7.418 1.00 0.00 C ATOM 324 C ARG A 21 -6.953 -3.314 -6.151 1.00 0.00 C ATOM 325 O ARG A 21 -7.805 -3.822 -5.416 1.00 0.00 O ATOM 326 CB ARG A 21 -6.842 -3.259 -8.685 1.00 0.00 C ATOM 327 CG ARG A 21 -7.904 -3.949 -9.530 1.00 0.00 C ATOM 328 CD ARG A 21 -8.830 -2.933 -10.210 1.00 0.00 C ATOM 329 NE ARG A 21 -9.316 -3.474 -11.482 1.00 0.00 N ATOM 330 CZ ARG A 21 -8.687 -3.384 -12.657 1.00 0.00 C ATOM 331 NH1 ARG A 21 -7.622 -2.609 -12.829 1.00 0.00 N ATOM 332 NH2 ARG A 21 -9.127 -4.095 -13.684 1.00 0.00 N ATOM 0 H ARG A 21 -6.197 -0.999 -8.145 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.463 -2.559 -7.447 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.333 -2.518 -9.301 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.095 -3.997 -8.392 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.422 -4.568 -10.287 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.494 -4.616 -8.901 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -9.672 -2.702 -9.558 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -8.295 -1.999 -10.383 1.00 0.00 H new ATOM 0 HE ARG A 21 -10.212 -3.961 -11.469 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -7.260 -2.059 -12.050 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -7.166 -2.564 -13.740 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -9.938 -4.703 -13.573 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -8.655 -4.034 -14.586 1.00 0.00 H new ATOM 346 N ALA A 22 -5.649 -3.393 -5.907 1.00 0.00 N ATOM 347 CA ALA A 22 -5.005 -4.057 -4.795 1.00 0.00 C ATOM 348 C ALA A 22 -5.483 -3.486 -3.470 1.00 0.00 C ATOM 349 O ALA A 22 -5.924 -4.245 -2.628 1.00 0.00 O ATOM 350 CB ALA A 22 -3.494 -3.957 -4.953 1.00 0.00 C ATOM 0 H ALA A 22 -4.970 -2.960 -6.533 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.278 -5.112 -4.794 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.007 -4.457 -4.116 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.193 -4.434 -5.886 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.199 -2.908 -4.971 1.00 0.00 H new ATOM 356 N TYR A 23 -5.472 -2.176 -3.257 1.00 0.00 N ATOM 357 CA TYR A 23 -5.920 -1.501 -2.061 1.00 0.00 C ATOM 358 C TYR A 23 -7.385 -1.837 -1.734 1.00 0.00 C ATOM 359 O TYR A 23 -7.716 -2.083 -0.569 1.00 0.00 O ATOM 360 CB TYR A 23 -5.522 -0.024 -2.259 1.00 0.00 C ATOM 361 CG TYR A 23 -6.534 1.044 -1.970 1.00 0.00 C ATOM 362 CD1 TYR A 23 -7.645 1.163 -2.818 1.00 0.00 C ATOM 363 CD2 TYR A 23 -6.278 2.025 -1.007 1.00 0.00 C ATOM 364 CE1 TYR A 23 -8.526 2.240 -2.707 1.00 0.00 C ATOM 365 CE2 TYR A 23 -7.175 3.089 -0.852 1.00 0.00 C ATOM 366 CZ TYR A 23 -8.272 3.207 -1.723 1.00 0.00 C ATOM 367 OH TYR A 23 -9.152 4.233 -1.549 1.00 0.00 O ATOM 0 H TYR A 23 -5.128 -1.524 -3.962 1.00 0.00 H new ATOM 0 HA TYR A 23 -5.444 -1.838 -1.140 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.651 0.169 -1.633 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.203 0.095 -3.294 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.822 0.408 -3.570 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -5.395 1.963 -0.388 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -9.381 2.327 -3.361 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -7.025 3.815 -0.067 1.00 0.00 H new ATOM 0 HH TYR A 23 -8.835 4.817 -0.829 1.00 0.00 H new ATOM 377 N ARG A 24 -8.255 -1.984 -2.740 1.00 0.00 N ATOM 378 CA ARG A 24 -9.634 -2.418 -2.515 1.00 0.00 C ATOM 379 C ARG A 24 -9.732 -3.882 -2.093 1.00 0.00 C ATOM 380 O ARG A 24 -10.664 -4.210 -1.358 1.00 0.00 O ATOM 381 CB ARG A 24 -10.492 -2.131 -3.761 1.00 0.00 C ATOM 382 CG ARG A 24 -10.942 -0.662 -3.864 1.00 0.00 C ATOM 383 CD ARG A 24 -11.966 -0.312 -2.774 1.00 0.00 C ATOM 384 NE ARG A 24 -12.573 1.016 -2.969 1.00 0.00 N ATOM 385 CZ ARG A 24 -13.867 1.281 -3.186 1.00 0.00 C ATOM 386 NH1 ARG A 24 -14.713 0.324 -3.548 1.00 0.00 N ATOM 387 NH2 ARG A 24 -14.296 2.527 -3.035 1.00 0.00 N ATOM 0 H ARG A 24 -8.026 -1.808 -3.718 1.00 0.00 H new ATOM 0 HA ARG A 24 -10.025 -1.838 -1.679 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.924 -2.393 -4.653 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -11.372 -2.773 -3.743 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.075 -0.007 -3.775 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.378 -0.481 -4.847 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.751 -1.068 -2.763 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.479 -0.345 -1.800 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.942 1.817 -2.935 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -14.380 -0.633 -3.665 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -15.696 0.546 -3.709 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.644 3.261 -2.759 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -15.278 2.751 -3.195 1.00 0.00 H new ATOM 401 N ARG A 25 -8.812 -4.769 -2.493 1.00 0.00 N ATOM 402 CA ARG A 25 -8.780 -6.111 -1.902 1.00 0.00 C ATOM 403 C ARG A 25 -8.037 -6.107 -0.573 1.00 0.00 C ATOM 404 O ARG A 25 -8.471 -6.802 0.325 1.00 0.00 O ATOM 405 CB ARG A 25 -8.259 -7.203 -2.856 1.00 0.00 C ATOM 406 CG ARG A 25 -6.839 -6.984 -3.395 1.00 0.00 C ATOM 407 CD ARG A 25 -6.258 -8.178 -4.154 1.00 0.00 C ATOM 408 NE ARG A 25 -7.122 -8.556 -5.274 1.00 0.00 N ATOM 409 CZ ARG A 25 -6.894 -8.420 -6.582 1.00 0.00 C ATOM 410 NH1 ARG A 25 -5.753 -7.940 -7.065 1.00 0.00 N ATOM 411 NH2 ARG A 25 -7.860 -8.758 -7.420 1.00 0.00 N ATOM 0 H ARG A 25 -8.100 -4.590 -3.202 1.00 0.00 H new ATOM 0 HA ARG A 25 -9.818 -6.381 -1.709 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -8.288 -8.160 -2.336 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -8.943 -7.279 -3.702 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.844 -6.117 -4.056 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -6.180 -6.744 -2.560 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.264 -7.929 -4.525 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.143 -9.024 -3.476 1.00 0.00 H new ATOM 0 HE ARG A 25 -8.015 -8.979 -5.022 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -5.008 -7.658 -6.428 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -5.622 -7.853 -8.073 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.747 -9.110 -7.060 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.718 -8.666 -8.426 1.00 0.00 H new ATOM 425 N GLN A 26 -6.948 -5.363 -0.401 1.00 0.00 N ATOM 426 CA GLN A 26 -5.989 -5.557 0.676 1.00 0.00 C ATOM 427 C GLN A 26 -6.572 -5.179 2.031 1.00 0.00 C ATOM 428 O GLN A 26 -6.319 -5.890 3.002 1.00 0.00 O ATOM 429 CB GLN A 26 -4.710 -4.773 0.336 1.00 0.00 C ATOM 430 CG GLN A 26 -3.787 -5.625 -0.543 1.00 0.00 C ATOM 431 CD GLN A 26 -3.086 -6.728 0.241 1.00 0.00 C ATOM 432 OE1 GLN A 26 -3.472 -7.889 0.145 1.00 0.00 O ATOM 433 NE2 GLN A 26 -2.085 -6.393 1.036 1.00 0.00 N ATOM 0 H GLN A 26 -6.705 -4.591 -1.022 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.739 -6.615 0.761 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.967 -3.849 -0.182 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.193 -4.491 1.253 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -4.369 -6.071 -1.349 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.039 -4.983 -1.008 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -1.785 -5.420 1.096 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -1.612 -7.107 1.590 1.00 0.00 H new ATOM 442 N ALA A 27 -7.396 -4.125 2.090 1.00 0.00 N ATOM 443 CA ALA A 27 -8.150 -3.824 3.298 1.00 0.00 C ATOM 444 C ALA A 27 -9.041 -5.011 3.658 1.00 0.00 C ATOM 445 O ALA A 27 -8.983 -5.486 4.782 1.00 0.00 O ATOM 446 CB ALA A 27 -8.977 -2.549 3.123 1.00 0.00 C ATOM 0 H ALA A 27 -7.552 -3.476 1.319 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.451 -3.650 4.116 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.531 -2.346 4.039 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.313 -1.712 2.907 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.677 -2.680 2.297 1.00 0.00 H new ATOM 452 N LEU A 28 -9.851 -5.500 2.715 1.00 0.00 N ATOM 453 CA LEU A 28 -10.774 -6.619 2.911 1.00 0.00 C ATOM 454 C LEU A 28 -10.031 -7.902 3.320 1.00 0.00 C ATOM 455 O LEU A 28 -10.440 -8.611 4.240 1.00 0.00 O ATOM 456 CB LEU A 28 -11.560 -6.815 1.600 1.00 0.00 C ATOM 457 CG LEU A 28 -12.729 -7.808 1.691 1.00 0.00 C ATOM 458 CD1 LEU A 28 -13.846 -7.256 2.583 1.00 0.00 C ATOM 459 CD2 LEU A 28 -13.286 -8.056 0.284 1.00 0.00 C ATOM 0 H LEU A 28 -9.883 -5.118 1.770 1.00 0.00 H new ATOM 0 HA LEU A 28 -11.460 -6.395 3.728 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.947 -5.849 1.277 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -10.871 -7.157 0.828 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.364 -8.739 2.126 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -14.662 -7.977 2.632 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -13.457 -7.080 3.586 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -14.214 -6.318 2.167 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -14.116 -8.760 0.340 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -13.636 -7.115 -0.140 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -12.502 -8.470 -0.350 1.00 0.00 H new ATOM 471 N ARG A 29 -8.922 -8.189 2.638 1.00 0.00 N ATOM 472 CA ARG A 29 -8.168 -9.430 2.691 1.00 0.00 C ATOM 473 C ARG A 29 -7.608 -9.711 4.077 1.00 0.00 C ATOM 474 O ARG A 29 -7.521 -10.881 4.451 1.00 0.00 O ATOM 475 CB ARG A 29 -7.064 -9.378 1.617 1.00 0.00 C ATOM 476 CG ARG A 29 -6.377 -10.733 1.432 1.00 0.00 C ATOM 477 CD ARG A 29 -6.027 -11.046 -0.029 1.00 0.00 C ATOM 478 NE ARG A 29 -4.940 -10.209 -0.560 1.00 0.00 N ATOM 479 CZ ARG A 29 -4.381 -10.336 -1.769 1.00 0.00 C ATOM 480 NH1 ARG A 29 -4.802 -11.255 -2.630 1.00 0.00 N ATOM 481 NH2 ARG A 29 -3.399 -9.518 -2.117 1.00 0.00 N ATOM 0 H ARG A 29 -8.505 -7.515 1.995 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.838 -10.263 2.480 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.496 -9.059 0.669 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.321 -8.631 1.897 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.465 -10.754 2.029 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.028 -11.518 1.818 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.741 -12.095 -0.110 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.916 -10.909 -0.645 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.582 -9.469 0.044 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.566 -11.881 -2.375 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.362 -11.335 -3.547 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.077 -8.802 -1.466 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.965 -9.605 -3.036 1.00 0.00 H new ATOM 495 N TYR A 30 -7.282 -8.671 4.845 1.00 0.00 N ATOM 496 CA TYR A 30 -6.737 -8.803 6.193 1.00 0.00 C ATOM 497 C TYR A 30 -7.493 -7.901 7.183 1.00 0.00 C ATOM 498 O TYR A 30 -7.024 -7.662 8.289 1.00 0.00 O ATOM 499 CB TYR A 30 -5.232 -8.501 6.157 1.00 0.00 C ATOM 500 CG TYR A 30 -4.458 -9.328 5.143 1.00 0.00 C ATOM 501 CD1 TYR A 30 -4.327 -10.718 5.316 1.00 0.00 C ATOM 502 CD2 TYR A 30 -3.889 -8.714 4.012 1.00 0.00 C ATOM 503 CE1 TYR A 30 -3.614 -11.483 4.376 1.00 0.00 C ATOM 504 CE2 TYR A 30 -3.155 -9.473 3.085 1.00 0.00 C ATOM 505 CZ TYR A 30 -3.012 -10.864 3.264 1.00 0.00 C ATOM 506 OH TYR A 30 -2.332 -11.625 2.364 1.00 0.00 O ATOM 0 H TYR A 30 -7.391 -7.703 4.543 1.00 0.00 H new ATOM 0 HA TYR A 30 -6.872 -9.825 6.547 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -5.090 -7.444 5.933 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -4.813 -8.676 7.148 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.775 -11.199 6.173 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -4.017 -7.653 3.856 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.528 -12.551 4.508 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.699 -8.990 2.233 1.00 0.00 H new ATOM 0 HH TYR A 30 -1.976 -11.052 1.654 1.00 0.00 H new ATOM 516 N HIS A 31 -8.685 -7.416 6.816 1.00 0.00 N ATOM 517 CA HIS A 31 -9.609 -6.713 7.703 1.00 0.00 C ATOM 518 C HIS A 31 -9.796 -7.580 8.947 1.00 0.00 C ATOM 519 O HIS A 31 -10.212 -8.730 8.785 1.00 0.00 O ATOM 520 CB HIS A 31 -10.961 -6.516 6.988 1.00 0.00 C ATOM 521 CG HIS A 31 -11.568 -5.156 7.141 1.00 0.00 C ATOM 522 ND1 HIS A 31 -12.288 -4.719 8.220 1.00 0.00 N ATOM 523 CD2 HIS A 31 -11.692 -4.216 6.157 1.00 0.00 C ATOM 524 CE1 HIS A 31 -12.838 -3.544 7.912 1.00 0.00 C ATOM 525 NE2 HIS A 31 -12.506 -3.193 6.655 1.00 0.00 N ATOM 0 H HIS A 31 -9.040 -7.507 5.864 1.00 0.00 H new ATOM 0 HA HIS A 31 -9.219 -5.733 7.976 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -10.826 -6.719 5.926 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -11.666 -7.256 7.367 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -12.387 -5.209 9.109 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -11.244 -4.256 5.175 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -13.459 -2.959 8.574 1.00 0.00 H new ATOM 533 N PRO A 32 -9.515 -7.097 10.164 1.00 0.00 N ATOM 534 CA PRO A 32 -9.450 -7.966 11.331 1.00 0.00 C ATOM 535 C PRO A 32 -10.798 -8.635 11.602 1.00 0.00 C ATOM 536 O PRO A 32 -10.829 -9.780 12.048 1.00 0.00 O ATOM 537 CB PRO A 32 -8.970 -7.080 12.481 1.00 0.00 C ATOM 538 CG PRO A 32 -9.309 -5.660 12.028 1.00 0.00 C ATOM 539 CD PRO A 32 -9.205 -5.724 10.510 1.00 0.00 C ATOM 0 HA PRO A 32 -8.760 -8.798 11.187 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -9.474 -7.331 13.414 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -7.900 -7.198 12.655 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -10.309 -5.367 12.348 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -8.614 -4.931 12.445 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -9.903 -5.032 10.038 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -8.206 -5.449 10.172 1.00 0.00 H new ATOM 547 N ASP A 33 -11.897 -7.983 11.214 1.00 0.00 N ATOM 548 CA ASP A 33 -13.244 -8.504 11.390 1.00 0.00 C ATOM 549 C ASP A 33 -13.654 -9.468 10.271 1.00 0.00 C ATOM 550 O ASP A 33 -14.644 -10.176 10.437 1.00 0.00 O ATOM 551 CB ASP A 33 -14.265 -7.351 11.454 1.00 0.00 C ATOM 552 CG ASP A 33 -14.345 -6.520 10.182 1.00 0.00 C ATOM 553 OD1 ASP A 33 -14.759 -7.016 9.111 1.00 0.00 O ATOM 554 OD2 ASP A 33 -13.910 -5.350 10.266 1.00 0.00 O ATOM 0 H ASP A 33 -11.870 -7.068 10.764 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.239 -9.058 12.329 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -15.251 -7.764 11.668 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -14.006 -6.697 12.287 1.00 0.00 H new ATOM 559 N LYS A 34 -12.931 -9.558 9.148 1.00 0.00 N ATOM 560 CA LYS A 34 -13.448 -10.275 7.982 1.00 0.00 C ATOM 561 C LYS A 34 -12.947 -11.715 8.042 1.00 0.00 C ATOM 562 O LYS A 34 -13.713 -12.650 8.270 1.00 0.00 O ATOM 563 CB LYS A 34 -13.036 -9.552 6.680 1.00 0.00 C ATOM 564 CG LYS A 34 -13.245 -10.364 5.389 1.00 0.00 C ATOM 565 CD LYS A 34 -14.704 -10.808 5.189 1.00 0.00 C ATOM 566 CE LYS A 34 -15.610 -9.743 4.560 1.00 0.00 C ATOM 567 NZ LYS A 34 -15.911 -8.581 5.427 1.00 0.00 N ATOM 0 H LYS A 34 -12.004 -9.151 9.025 1.00 0.00 H new ATOM 0 HA LYS A 34 -14.538 -10.291 7.989 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -13.603 -8.624 6.603 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.984 -9.278 6.752 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -12.933 -9.764 4.534 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -12.603 -11.244 5.412 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -14.717 -11.697 4.559 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -15.119 -11.096 6.155 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -15.139 -9.382 3.646 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -16.550 -10.213 4.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -16.827 -8.171 5.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -15.953 -8.890 6.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -15.165 -7.865 5.319 1.00 0.00 H new ATOM 581 N ASN A 35 -11.646 -11.862 7.804 1.00 0.00 N ATOM 582 CA ASN A 35 -10.890 -13.108 7.648 1.00 0.00 C ATOM 583 C ASN A 35 -10.688 -13.713 9.032 1.00 0.00 C ATOM 584 O ASN A 35 -10.600 -14.932 9.162 1.00 0.00 O ATOM 585 CB ASN A 35 -9.494 -12.826 7.022 1.00 0.00 C ATOM 586 CG ASN A 35 -8.942 -11.526 7.533 1.00 0.00 C ATOM 587 OD1 ASN A 35 -8.374 -11.474 8.614 1.00 0.00 O ATOM 588 ND2 ASN A 35 -9.286 -10.445 6.865 1.00 0.00 N ATOM 0 H ASN A 35 -11.041 -11.047 7.707 1.00 0.00 H new ATOM 0 HA ASN A 35 -11.439 -13.786 6.994 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.809 -13.639 7.264 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.576 -12.791 5.936 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -9.080 -9.522 7.247 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.759 -10.530 5.965 1.00 0.00 H new ATOM 595 N LYS A 36 -10.589 -12.855 10.057 1.00 0.00 N ATOM 596 CA LYS A 36 -10.288 -13.176 11.440 1.00 0.00 C ATOM 597 C LYS A 36 -8.996 -13.996 11.566 1.00 0.00 C ATOM 598 O LYS A 36 -8.837 -14.745 12.534 1.00 0.00 O ATOM 599 CB LYS A 36 -11.523 -13.750 12.146 1.00 0.00 C ATOM 600 CG LYS A 36 -12.623 -12.701 12.391 1.00 0.00 C ATOM 601 CD LYS A 36 -13.784 -13.304 13.199 1.00 0.00 C ATOM 602 CE LYS A 36 -14.899 -12.295 13.521 1.00 0.00 C ATOM 603 NZ LYS A 36 -15.643 -11.856 12.322 1.00 0.00 N ATOM 0 H LYS A 36 -10.728 -11.854 9.922 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.060 -12.261 11.987 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.932 -14.563 11.546 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.221 -14.180 13.101 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -12.206 -11.848 12.927 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.994 -12.327 11.437 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -14.210 -14.138 12.641 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -13.394 -13.711 14.132 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -15.595 -12.744 14.230 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -14.463 -11.424 14.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -16.589 -11.528 12.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -15.129 -11.079 11.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -15.735 -12.652 11.659 1.00 0.00 H new ATOM 617 N GLU A 37 -8.082 -13.903 10.600 1.00 0.00 N ATOM 618 CA GLU A 37 -6.828 -14.620 10.607 1.00 0.00 C ATOM 619 C GLU A 37 -5.925 -14.020 11.695 1.00 0.00 C ATOM 620 O GLU A 37 -5.816 -12.796 11.766 1.00 0.00 O ATOM 621 CB GLU A 37 -6.265 -14.511 9.193 1.00 0.00 C ATOM 622 CG GLU A 37 -4.972 -15.287 8.994 1.00 0.00 C ATOM 623 CD GLU A 37 -3.701 -14.461 9.203 1.00 0.00 C ATOM 624 OE1 GLU A 37 -3.418 -13.562 8.372 1.00 0.00 O ATOM 625 OE2 GLU A 37 -2.936 -14.796 10.132 1.00 0.00 O ATOM 0 H GLU A 37 -8.205 -13.312 9.778 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.926 -15.677 10.853 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.010 -14.874 8.485 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -6.089 -13.461 8.960 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.959 -16.131 9.683 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -4.961 -15.699 7.985 1.00 0.00 H new ATOM 632 N PRO A 38 -5.327 -14.826 12.588 1.00 0.00 N ATOM 633 CA PRO A 38 -4.649 -14.308 13.765 1.00 0.00 C ATOM 634 C PRO A 38 -3.380 -13.519 13.443 1.00 0.00 C ATOM 635 O PRO A 38 -2.320 -14.084 13.155 1.00 0.00 O ATOM 636 CB PRO A 38 -4.406 -15.499 14.682 1.00 0.00 C ATOM 637 CG PRO A 38 -4.485 -16.714 13.761 1.00 0.00 C ATOM 638 CD PRO A 38 -5.464 -16.270 12.682 1.00 0.00 C ATOM 0 HA PRO A 38 -5.273 -13.566 14.263 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.433 -15.433 15.169 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.155 -15.551 15.472 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.511 -16.966 13.342 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.842 -17.598 14.290 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.237 -16.747 11.728 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -6.485 -16.549 12.942 1.00 0.00 H new ATOM 646 N GLY A 39 -3.494 -12.199 13.551 1.00 0.00 N ATOM 647 CA GLY A 39 -2.454 -11.214 13.267 1.00 0.00 C ATOM 648 C GLY A 39 -2.749 -10.387 12.016 1.00 0.00 C ATOM 649 O GLY A 39 -1.983 -9.475 11.684 1.00 0.00 O ATOM 0 H GLY A 39 -4.364 -11.763 13.856 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.349 -10.546 14.122 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.500 -11.725 13.142 1.00 0.00 H new ATOM 653 N ALA A 40 -3.871 -10.657 11.340 1.00 0.00 N ATOM 654 CA ALA A 40 -4.352 -9.859 10.227 1.00 0.00 C ATOM 655 C ALA A 40 -4.555 -8.402 10.642 1.00 0.00 C ATOM 656 O ALA A 40 -4.315 -7.515 9.830 1.00 0.00 O ATOM 657 CB ALA A 40 -5.647 -10.459 9.692 1.00 0.00 C ATOM 0 H ALA A 40 -4.473 -11.450 11.561 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.602 -9.870 9.436 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.008 -9.859 8.856 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.463 -11.479 9.354 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.397 -10.468 10.482 1.00 0.00 H new ATOM 663 N GLU A 41 -4.912 -8.137 11.905 1.00 0.00 N ATOM 664 CA GLU A 41 -5.076 -6.781 12.423 1.00 0.00 C ATOM 665 C GLU A 41 -3.807 -5.948 12.226 1.00 0.00 C ATOM 666 O GLU A 41 -3.867 -4.797 11.789 1.00 0.00 O ATOM 667 CB GLU A 41 -5.441 -6.837 13.916 1.00 0.00 C ATOM 668 CG GLU A 41 -5.900 -5.463 14.419 1.00 0.00 C ATOM 669 CD GLU A 41 -5.930 -5.381 15.941 1.00 0.00 C ATOM 670 OE1 GLU A 41 -6.872 -5.907 16.571 1.00 0.00 O ATOM 671 OE2 GLU A 41 -5.032 -4.719 16.516 1.00 0.00 O ATOM 0 H GLU A 41 -5.095 -8.864 12.597 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.880 -6.301 11.866 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.233 -7.570 14.074 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.579 -7.170 14.493 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.232 -4.695 14.030 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.894 -5.249 14.027 1.00 0.00 H new ATOM 678 N GLU A 42 -2.651 -6.524 12.546 1.00 0.00 N ATOM 679 CA GLU A 42 -1.386 -5.812 12.442 1.00 0.00 C ATOM 680 C GLU A 42 -0.970 -5.700 10.970 1.00 0.00 C ATOM 681 O GLU A 42 -0.349 -4.721 10.560 1.00 0.00 O ATOM 682 CB GLU A 42 -0.329 -6.525 13.296 1.00 0.00 C ATOM 683 CG GLU A 42 0.816 -5.581 13.686 1.00 0.00 C ATOM 684 CD GLU A 42 0.362 -4.431 14.597 1.00 0.00 C ATOM 685 OE1 GLU A 42 -0.416 -4.649 15.559 1.00 0.00 O ATOM 686 OE2 GLU A 42 0.811 -3.284 14.378 1.00 0.00 O ATOM 0 H GLU A 42 -2.567 -7.484 12.880 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.491 -4.797 12.824 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.796 -6.922 14.197 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.072 -7.375 12.744 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.594 -6.152 14.192 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.262 -5.167 12.782 1.00 0.00 H new ATOM 693 N LYS A 43 -1.354 -6.681 10.146 1.00 0.00 N ATOM 694 CA LYS A 43 -1.202 -6.649 8.707 1.00 0.00 C ATOM 695 C LYS A 43 -1.950 -5.436 8.152 1.00 0.00 C ATOM 696 O LYS A 43 -1.357 -4.604 7.477 1.00 0.00 O ATOM 697 CB LYS A 43 -1.663 -7.993 8.108 1.00 0.00 C ATOM 698 CG LYS A 43 -0.641 -8.603 7.136 1.00 0.00 C ATOM 699 CD LYS A 43 -0.966 -10.074 6.824 1.00 0.00 C ATOM 700 CE LYS A 43 -0.662 -10.980 8.028 1.00 0.00 C ATOM 701 NZ LYS A 43 -0.974 -12.403 7.789 1.00 0.00 N ATOM 0 H LYS A 43 -1.791 -7.539 10.482 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.156 -6.531 8.423 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.852 -8.699 8.917 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.609 -7.846 7.586 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.630 -8.028 6.210 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.358 -8.534 7.566 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.018 -10.167 6.553 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.384 -10.403 5.963 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.393 -10.886 8.286 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.233 -10.631 8.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.269 -12.998 8.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.920 -12.618 8.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.953 -12.596 6.767 1.00 0.00 H new ATOM 715 N PHE A 44 -3.230 -5.296 8.499 1.00 0.00 N ATOM 716 CA PHE A 44 -4.108 -4.185 8.153 1.00 0.00 C ATOM 717 C PHE A 44 -3.506 -2.838 8.566 1.00 0.00 C ATOM 718 O PHE A 44 -3.583 -1.873 7.801 1.00 0.00 O ATOM 719 CB PHE A 44 -5.476 -4.429 8.801 1.00 0.00 C ATOM 720 CG PHE A 44 -6.548 -3.414 8.470 1.00 0.00 C ATOM 721 CD1 PHE A 44 -7.393 -3.609 7.360 1.00 0.00 C ATOM 722 CD2 PHE A 44 -6.725 -2.287 9.297 1.00 0.00 C ATOM 723 CE1 PHE A 44 -8.410 -2.679 7.082 1.00 0.00 C ATOM 724 CE2 PHE A 44 -7.739 -1.356 9.012 1.00 0.00 C ATOM 725 CZ PHE A 44 -8.581 -1.552 7.905 1.00 0.00 C ATOM 0 H PHE A 44 -3.707 -5.999 9.063 1.00 0.00 H new ATOM 0 HA PHE A 44 -4.228 -4.136 7.071 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -5.830 -5.415 8.500 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -5.346 -4.454 9.883 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -7.260 -4.471 6.724 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -6.081 -2.138 10.151 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -9.062 -2.831 6.234 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -7.871 -0.490 9.644 1.00 0.00 H new ATOM 0 HZ PHE A 44 -9.360 -0.837 7.686 1.00 0.00 H new ATOM 735 N LYS A 45 -2.940 -2.756 9.775 1.00 0.00 N ATOM 736 CA LYS A 45 -2.258 -1.560 10.275 1.00 0.00 C ATOM 737 C LYS A 45 -1.122 -1.150 9.355 1.00 0.00 C ATOM 738 O LYS A 45 -1.072 0.007 8.941 1.00 0.00 O ATOM 739 CB LYS A 45 -1.705 -1.802 11.689 1.00 0.00 C ATOM 740 CG LYS A 45 -2.736 -1.550 12.780 1.00 0.00 C ATOM 741 CD LYS A 45 -3.044 -0.065 13.036 1.00 0.00 C ATOM 742 CE LYS A 45 -1.968 0.678 13.844 1.00 0.00 C ATOM 743 NZ LYS A 45 -0.827 1.181 13.043 1.00 0.00 N ATOM 0 H LYS A 45 -2.943 -3.529 10.441 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.992 -0.755 10.307 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.349 -2.829 11.763 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -0.844 -1.154 11.853 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.662 -2.059 12.512 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.382 -2.000 13.708 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.172 0.437 12.077 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.994 0.010 13.565 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.434 1.520 14.355 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.586 0.009 14.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.487 2.077 13.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.058 0.481 13.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.134 1.338 12.062 1.00 0.00 H new ATOM 757 N GLU A 46 -0.229 -2.077 9.029 1.00 0.00 N ATOM 758 CA GLU A 46 0.984 -1.754 8.288 1.00 0.00 C ATOM 759 C GLU A 46 0.618 -1.470 6.831 1.00 0.00 C ATOM 760 O GLU A 46 1.173 -0.563 6.210 1.00 0.00 O ATOM 761 CB GLU A 46 1.967 -2.915 8.419 1.00 0.00 C ATOM 762 CG GLU A 46 3.318 -2.484 8.988 1.00 0.00 C ATOM 763 CD GLU A 46 4.300 -1.899 7.976 1.00 0.00 C ATOM 764 OE1 GLU A 46 4.944 -2.661 7.224 1.00 0.00 O ATOM 765 OE2 GLU A 46 4.573 -0.677 8.022 1.00 0.00 O ATOM 0 H GLU A 46 -0.323 -3.064 9.268 1.00 0.00 H new ATOM 0 HA GLU A 46 1.463 -0.862 8.690 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.534 -3.681 9.063 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.118 -3.370 7.440 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.144 -1.744 9.769 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.784 -3.347 9.464 1.00 0.00 H new ATOM 772 N ILE A 47 -0.396 -2.181 6.322 1.00 0.00 N ATOM 773 CA ILE A 47 -1.022 -1.908 5.045 1.00 0.00 C ATOM 774 C ILE A 47 -1.464 -0.450 5.004 1.00 0.00 C ATOM 775 O ILE A 47 -1.196 0.161 3.986 1.00 0.00 O ATOM 776 CB ILE A 47 -2.166 -2.915 4.772 1.00 0.00 C ATOM 777 CG1 ILE A 47 -1.546 -4.249 4.307 1.00 0.00 C ATOM 778 CG2 ILE A 47 -3.198 -2.428 3.733 1.00 0.00 C ATOM 779 CD1 ILE A 47 -2.553 -5.401 4.265 1.00 0.00 C ATOM 0 H ILE A 47 -0.806 -2.979 6.807 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.308 -2.049 4.233 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.717 -3.033 5.705 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.115 -4.115 3.315 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.728 -4.515 4.976 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.966 -3.190 3.598 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.660 -1.505 4.084 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.698 -2.245 2.782 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.053 -6.310 3.930 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.966 -5.560 5.261 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.359 -5.155 3.574 1.00 0.00 H new ATOM 791 N ALA A 48 -2.076 0.138 6.043 1.00 0.00 N ATOM 792 CA ALA A 48 -2.583 1.516 6.006 1.00 0.00 C ATOM 793 C ALA A 48 -1.492 2.540 5.712 1.00 0.00 C ATOM 794 O ALA A 48 -1.757 3.551 5.054 1.00 0.00 O ATOM 795 CB ALA A 48 -3.285 1.864 7.318 1.00 0.00 C ATOM 0 H ALA A 48 -2.233 -0.331 6.935 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.298 1.562 5.184 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.654 2.889 7.273 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.122 1.183 7.475 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.580 1.769 8.144 1.00 0.00 H new ATOM 801 N GLU A 49 -0.270 2.288 6.167 1.00 0.00 N ATOM 802 CA GLU A 49 0.827 3.210 5.925 1.00 0.00 C ATOM 803 C GLU A 49 1.316 3.101 4.478 1.00 0.00 C ATOM 804 O GLU A 49 1.736 4.104 3.898 1.00 0.00 O ATOM 805 CB GLU A 49 1.927 2.972 6.958 1.00 0.00 C ATOM 806 CG GLU A 49 2.898 4.158 6.979 1.00 0.00 C ATOM 807 CD GLU A 49 3.654 4.227 8.301 1.00 0.00 C ATOM 808 OE1 GLU A 49 4.335 3.249 8.692 1.00 0.00 O ATOM 809 OE2 GLU A 49 3.491 5.260 8.993 1.00 0.00 O ATOM 0 H GLU A 49 -0.017 1.457 6.702 1.00 0.00 H new ATOM 0 HA GLU A 49 0.487 4.238 6.047 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.486 2.836 7.945 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.466 2.055 6.721 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.607 4.066 6.156 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.347 5.085 6.823 1.00 0.00 H new ATOM 816 N ALA A 50 1.153 1.928 3.852 1.00 0.00 N ATOM 817 CA ALA A 50 1.330 1.786 2.413 1.00 0.00 C ATOM 818 C ALA A 50 0.143 2.424 1.694 1.00 0.00 C ATOM 819 O ALA A 50 0.339 3.143 0.725 1.00 0.00 O ATOM 820 CB ALA A 50 1.438 0.307 2.019 1.00 0.00 C ATOM 0 H ALA A 50 0.897 1.063 4.329 1.00 0.00 H new ATOM 0 HA ALA A 50 2.254 2.286 2.123 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.570 0.227 0.940 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.293 -0.142 2.523 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.528 -0.215 2.313 1.00 0.00 H new ATOM 826 N TYR A 51 -1.076 2.178 2.174 1.00 0.00 N ATOM 827 CA TYR A 51 -2.384 2.470 1.588 1.00 0.00 C ATOM 828 C TYR A 51 -2.508 3.942 1.226 1.00 0.00 C ATOM 829 O TYR A 51 -3.112 4.275 0.210 1.00 0.00 O ATOM 830 CB TYR A 51 -3.449 2.096 2.633 1.00 0.00 C ATOM 831 CG TYR A 51 -4.783 1.561 2.183 1.00 0.00 C ATOM 832 CD1 TYR A 51 -4.882 0.211 1.802 1.00 0.00 C ATOM 833 CD2 TYR A 51 -5.942 2.342 2.306 1.00 0.00 C ATOM 834 CE1 TYR A 51 -6.130 -0.349 1.493 1.00 0.00 C ATOM 835 CE2 TYR A 51 -7.196 1.788 1.998 1.00 0.00 C ATOM 836 CZ TYR A 51 -7.294 0.449 1.563 1.00 0.00 C ATOM 837 OH TYR A 51 -8.501 -0.045 1.173 1.00 0.00 O ATOM 0 H TYR A 51 -1.182 1.720 3.079 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.515 1.897 0.670 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.007 1.352 3.296 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -3.641 2.985 3.234 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -3.992 -0.398 1.747 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -5.870 3.368 2.637 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -6.201 -1.387 1.202 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -8.088 2.389 2.094 1.00 0.00 H new ATOM 0 HH TYR A 51 -8.364 -0.794 0.556 1.00 0.00 H new ATOM 847 N ASP A 52 -1.923 4.823 2.038 1.00 0.00 N ATOM 848 CA ASP A 52 -1.916 6.255 1.749 1.00 0.00 C ATOM 849 C ASP A 52 -1.238 6.544 0.403 1.00 0.00 C ATOM 850 O ASP A 52 -1.807 7.175 -0.491 1.00 0.00 O ATOM 851 CB ASP A 52 -1.204 7.037 2.855 1.00 0.00 C ATOM 852 CG ASP A 52 -1.291 8.523 2.516 1.00 0.00 C ATOM 853 OD1 ASP A 52 -2.421 9.058 2.487 1.00 0.00 O ATOM 854 OD2 ASP A 52 -0.254 9.125 2.160 1.00 0.00 O ATOM 0 H ASP A 52 -1.447 4.568 2.903 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.956 6.579 1.699 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.669 6.839 3.821 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.163 6.724 2.932 1.00 0.00 H new ATOM 859 N VAL A 53 -0.013 6.054 0.256 1.00 0.00 N ATOM 860 CA VAL A 53 0.824 6.152 -0.931 1.00 0.00 C ATOM 861 C VAL A 53 0.240 5.310 -2.062 1.00 0.00 C ATOM 862 O VAL A 53 0.237 5.710 -3.223 1.00 0.00 O ATOM 863 CB VAL A 53 2.240 5.734 -0.465 1.00 0.00 C ATOM 864 CG1 VAL A 53 3.203 5.048 -1.430 1.00 0.00 C ATOM 865 CG2 VAL A 53 2.925 7.015 -0.026 1.00 0.00 C ATOM 0 H VAL A 53 0.450 5.546 1.010 1.00 0.00 H new ATOM 0 HA VAL A 53 0.873 7.155 -1.355 1.00 0.00 H new ATOM 0 HB VAL A 53 2.046 4.964 0.281 1.00 0.00 H new ATOM 0 HG11 VAL A 53 4.141 4.835 -0.918 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.762 4.116 -1.783 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.394 5.703 -2.280 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.935 6.789 0.317 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.974 7.708 -0.866 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.359 7.470 0.787 1.00 0.00 H new ATOM 875 N LEU A 54 -0.313 4.151 -1.744 1.00 0.00 N ATOM 876 CA LEU A 54 -0.897 3.211 -2.679 1.00 0.00 C ATOM 877 C LEU A 54 -2.410 3.449 -2.771 1.00 0.00 C ATOM 878 O LEU A 54 -3.209 2.519 -2.852 1.00 0.00 O ATOM 879 CB LEU A 54 -0.438 1.792 -2.296 1.00 0.00 C ATOM 880 CG LEU A 54 0.679 1.247 -3.205 1.00 0.00 C ATOM 881 CD1 LEU A 54 1.953 2.086 -3.263 1.00 0.00 C ATOM 882 CD2 LEU A 54 1.076 -0.145 -2.740 1.00 0.00 C ATOM 0 H LEU A 54 -0.368 3.827 -0.778 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.548 3.355 -3.701 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.087 1.797 -1.264 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.293 1.117 -2.338 1.00 0.00 H new ATOM 0 HG LEU A 54 0.247 1.261 -4.206 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.671 1.611 -3.931 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.716 3.083 -3.635 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.383 2.164 -2.264 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.867 -0.532 -3.383 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.435 -0.097 -1.712 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.211 -0.806 -2.791 1.00 0.00 H new ATOM 894 N SER A 55 -2.794 4.726 -2.827 1.00 0.00 N ATOM 895 CA SER A 55 -4.107 5.154 -3.295 1.00 0.00 C ATOM 896 C SER A 55 -4.064 6.467 -4.075 1.00 0.00 C ATOM 897 O SER A 55 -4.967 6.708 -4.877 1.00 0.00 O ATOM 898 CB SER A 55 -5.085 5.220 -2.126 1.00 0.00 C ATOM 899 OG SER A 55 -4.633 6.058 -1.084 1.00 0.00 O ATOM 0 H SER A 55 -2.192 5.499 -2.544 1.00 0.00 H new ATOM 0 HA SER A 55 -4.460 4.405 -4.004 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.049 5.581 -2.484 1.00 0.00 H new ATOM 0 HB3 SER A 55 -5.246 4.215 -1.735 1.00 0.00 H new ATOM 0 HG SER A 55 -4.161 5.521 -0.414 1.00 0.00 H new ATOM 905 N ASP A 56 -3.011 7.275 -3.940 1.00 0.00 N ATOM 906 CA ASP A 56 -2.813 8.519 -4.685 1.00 0.00 C ATOM 907 C ASP A 56 -1.449 8.446 -5.385 1.00 0.00 C ATOM 908 O ASP A 56 -0.487 8.027 -4.745 1.00 0.00 O ATOM 909 CB ASP A 56 -2.880 9.708 -3.724 1.00 0.00 C ATOM 910 CG ASP A 56 -2.438 10.973 -4.451 1.00 0.00 C ATOM 911 OD1 ASP A 56 -3.264 11.583 -5.165 1.00 0.00 O ATOM 912 OD2 ASP A 56 -1.227 11.260 -4.404 1.00 0.00 O ATOM 0 H ASP A 56 -2.250 7.076 -3.290 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.594 8.652 -5.434 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.896 9.828 -3.347 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.239 9.529 -2.861 1.00 0.00 H new ATOM 917 N PRO A 57 -1.330 8.743 -6.692 1.00 0.00 N ATOM 918 CA PRO A 57 -0.073 8.603 -7.430 1.00 0.00 C ATOM 919 C PRO A 57 0.930 9.728 -7.148 1.00 0.00 C ATOM 920 O PRO A 57 2.118 9.601 -7.452 1.00 0.00 O ATOM 921 CB PRO A 57 -0.489 8.613 -8.903 1.00 0.00 C ATOM 922 CG PRO A 57 -1.767 9.439 -8.934 1.00 0.00 C ATOM 923 CD PRO A 57 -2.399 9.186 -7.572 1.00 0.00 C ATOM 0 HA PRO A 57 0.446 7.692 -7.131 1.00 0.00 H new ATOM 0 HB2 PRO A 57 0.285 9.055 -9.531 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.661 7.602 -9.274 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.555 10.497 -9.086 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.425 9.126 -9.744 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -2.866 10.093 -7.188 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.181 8.430 -7.642 1.00 0.00 H new ATOM 931 N ARG A 58 0.465 10.841 -6.591 1.00 0.00 N ATOM 932 CA ARG A 58 1.204 12.088 -6.482 1.00 0.00 C ATOM 933 C ARG A 58 2.083 12.018 -5.246 1.00 0.00 C ATOM 934 O ARG A 58 3.287 12.243 -5.342 1.00 0.00 O ATOM 935 CB ARG A 58 0.210 13.256 -6.427 1.00 0.00 C ATOM 936 CG ARG A 58 -0.848 13.218 -7.551 1.00 0.00 C ATOM 937 CD ARG A 58 -2.046 14.119 -7.265 1.00 0.00 C ATOM 938 NE ARG A 58 -1.620 15.493 -6.953 1.00 0.00 N ATOM 939 CZ ARG A 58 -1.538 16.047 -5.735 1.00 0.00 C ATOM 940 NH1 ARG A 58 -1.980 15.392 -4.663 1.00 0.00 N ATOM 941 NH2 ARG A 58 -1.004 17.256 -5.612 1.00 0.00 N ATOM 0 H ARG A 58 -0.471 10.899 -6.189 1.00 0.00 H new ATOM 0 HA ARG A 58 1.848 12.247 -7.347 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -0.296 13.247 -5.462 1.00 0.00 H new ATOM 0 HB3 ARG A 58 0.761 14.195 -6.489 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.386 13.523 -8.490 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.194 12.193 -7.684 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.710 14.129 -8.129 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.617 13.714 -6.429 1.00 0.00 H new ATOM 0 HE ARG A 58 -1.361 16.083 -7.743 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.385 14.461 -4.765 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -1.914 15.821 -3.740 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -0.663 17.749 -6.437 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.934 17.692 -4.692 1.00 0.00 H new ATOM 955 N LYS A 59 1.556 11.482 -4.142 1.00 0.00 N ATOM 956 CA LYS A 59 2.315 11.331 -2.905 1.00 0.00 C ATOM 957 C LYS A 59 3.306 10.200 -3.120 1.00 0.00 C ATOM 958 O LYS A 59 4.459 10.301 -2.702 1.00 0.00 O ATOM 959 CB LYS A 59 1.345 10.908 -1.788 1.00 0.00 C ATOM 960 CG LYS A 59 2.037 10.773 -0.419 1.00 0.00 C ATOM 961 CD LYS A 59 1.988 12.092 0.348 1.00 0.00 C ATOM 962 CE LYS A 59 0.640 12.200 1.062 1.00 0.00 C ATOM 963 NZ LYS A 59 0.423 13.550 1.599 1.00 0.00 N ATOM 0 H LYS A 59 0.596 11.143 -4.084 1.00 0.00 H new ATOM 0 HA LYS A 59 2.820 12.259 -2.638 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.541 11.641 -1.714 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.885 9.956 -2.053 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.550 9.991 0.163 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.074 10.468 -0.560 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.802 12.138 1.071 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.121 12.931 -0.335 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.162 11.950 0.367 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.597 11.473 1.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.500 13.589 2.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.175 13.778 2.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.440 14.240 0.821 1.00 0.00 H new ATOM 977 N ARG A 60 2.885 9.155 -3.832 1.00 0.00 N ATOM 978 CA ARG A 60 3.737 8.072 -4.275 1.00 0.00 C ATOM 979 C ARG A 60 4.984 8.566 -4.990 1.00 0.00 C ATOM 980 O ARG A 60 6.015 7.916 -4.862 1.00 0.00 O ATOM 981 CB ARG A 60 2.917 7.175 -5.203 1.00 0.00 C ATOM 982 CG ARG A 60 3.252 5.711 -4.966 1.00 0.00 C ATOM 983 CD ARG A 60 2.511 4.787 -5.914 1.00 0.00 C ATOM 984 NE ARG A 60 1.059 4.992 -5.806 1.00 0.00 N ATOM 985 CZ ARG A 60 0.141 5.045 -6.773 1.00 0.00 C ATOM 986 NH1 ARG A 60 0.426 4.717 -8.032 1.00 0.00 N ATOM 987 NH2 ARG A 60 -1.075 5.451 -6.423 1.00 0.00 N ATOM 0 H ARG A 60 1.913 9.043 -4.120 1.00 0.00 H new ATOM 0 HA ARG A 60 4.082 7.520 -3.401 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.853 7.342 -5.033 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.119 7.436 -6.242 1.00 0.00 H new ATOM 0 HG2 ARG A 60 4.325 5.563 -5.084 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.005 5.446 -3.938 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.835 4.972 -6.938 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.755 3.750 -5.685 1.00 0.00 H new ATOM 0 HE ARG A 60 0.703 5.110 -4.858 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.368 4.415 -8.279 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.298 4.768 -8.749 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.269 5.704 -5.454 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.814 5.510 -7.123 1.00 0.00 H new ATOM 1001 N GLU A 61 4.897 9.670 -5.733 1.00 0.00 N ATOM 1002 CA GLU A 61 5.999 10.200 -6.522 1.00 0.00 C ATOM 1003 C GLU A 61 7.008 10.883 -5.588 1.00 0.00 C ATOM 1004 O GLU A 61 8.216 10.752 -5.754 1.00 0.00 O ATOM 1005 CB GLU A 61 5.419 11.205 -7.534 1.00 0.00 C ATOM 1006 CG GLU A 61 6.127 11.172 -8.888 1.00 0.00 C ATOM 1007 CD GLU A 61 7.651 11.235 -8.830 1.00 0.00 C ATOM 1008 OE1 GLU A 61 8.198 12.341 -8.619 1.00 0.00 O ATOM 1009 OE2 GLU A 61 8.298 10.195 -9.086 1.00 0.00 O ATOM 0 H GLU A 61 4.045 10.226 -5.802 1.00 0.00 H new ATOM 0 HA GLU A 61 6.516 9.404 -7.057 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.360 10.994 -7.680 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.489 12.210 -7.119 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.837 10.259 -9.409 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.768 12.009 -9.488 1.00 0.00 H new ATOM 1016 N ILE A 62 6.519 11.553 -4.544 1.00 0.00 N ATOM 1017 CA ILE A 62 7.375 12.270 -3.599 1.00 0.00 C ATOM 1018 C ILE A 62 8.088 11.229 -2.727 1.00 0.00 C ATOM 1019 O ILE A 62 9.293 11.339 -2.488 1.00 0.00 O ATOM 1020 CB ILE A 62 6.554 13.246 -2.711 1.00 0.00 C ATOM 1021 CG1 ILE A 62 5.608 14.150 -3.534 1.00 0.00 C ATOM 1022 CG2 ILE A 62 7.520 14.113 -1.886 1.00 0.00 C ATOM 1023 CD1 ILE A 62 4.811 15.165 -2.709 1.00 0.00 C ATOM 0 H ILE A 62 5.523 11.614 -4.330 1.00 0.00 H new ATOM 0 HA ILE A 62 8.098 12.873 -4.149 1.00 0.00 H new ATOM 0 HB ILE A 62 5.925 12.644 -2.055 1.00 0.00 H new ATOM 0 HG12 ILE A 62 6.197 14.689 -4.276 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.908 13.518 -4.081 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.949 14.800 -1.261 1.00 0.00 H new ATOM 0 HG22 ILE A 62 8.134 13.472 -1.254 1.00 0.00 H new ATOM 0 HG23 ILE A 62 8.162 14.682 -2.558 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.176 15.754 -3.371 1.00 0.00 H new ATOM 0 HD12 ILE A 62 4.190 14.638 -1.985 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.499 15.827 -2.183 1.00 0.00 H new ATOM 1035 N PHE A 63 7.363 10.199 -2.286 1.00 0.00 N ATOM 1036 CA PHE A 63 7.932 9.081 -1.558 1.00 0.00 C ATOM 1037 C PHE A 63 8.917 8.290 -2.431 1.00 0.00 C ATOM 1038 O PHE A 63 9.866 7.708 -1.908 1.00 0.00 O ATOM 1039 CB PHE A 63 6.750 8.220 -1.076 1.00 0.00 C ATOM 1040 CG PHE A 63 7.022 6.741 -0.939 1.00 0.00 C ATOM 1041 CD1 PHE A 63 7.680 6.251 0.200 1.00 0.00 C ATOM 1042 CD2 PHE A 63 6.655 5.861 -1.976 1.00 0.00 C ATOM 1043 CE1 PHE A 63 7.960 4.882 0.304 1.00 0.00 C ATOM 1044 CE2 PHE A 63 6.931 4.488 -1.867 1.00 0.00 C ATOM 1045 CZ PHE A 63 7.580 3.999 -0.723 1.00 0.00 C ATOM 0 H PHE A 63 6.356 10.124 -2.429 1.00 0.00 H new ATOM 0 HA PHE A 63 8.517 9.423 -0.704 1.00 0.00 H new ATOM 0 HB2 PHE A 63 6.420 8.600 -0.109 1.00 0.00 H new ATOM 0 HB3 PHE A 63 5.921 8.354 -1.771 1.00 0.00 H new ATOM 0 HD1 PHE A 63 7.969 6.926 0.992 1.00 0.00 H new ATOM 0 HD2 PHE A 63 6.160 6.243 -2.857 1.00 0.00 H new ATOM 0 HE1 PHE A 63 8.470 4.503 1.177 1.00 0.00 H new ATOM 0 HE2 PHE A 63 6.645 3.812 -2.660 1.00 0.00 H new ATOM 0 HZ PHE A 63 7.788 2.943 -0.631 1.00 0.00 H new ATOM 1055 N ASP A 64 8.726 8.279 -3.752 1.00 0.00 N ATOM 1056 CA ASP A 64 9.659 7.644 -4.676 1.00 0.00 C ATOM 1057 C ASP A 64 10.978 8.400 -4.679 1.00 0.00 C ATOM 1058 O ASP A 64 12.049 7.817 -4.515 1.00 0.00 O ATOM 1059 CB ASP A 64 9.095 7.629 -6.102 1.00 0.00 C ATOM 1060 CG ASP A 64 9.708 6.510 -6.920 1.00 0.00 C ATOM 1061 OD1 ASP A 64 9.528 5.331 -6.536 1.00 0.00 O ATOM 1062 OD2 ASP A 64 10.262 6.791 -8.006 1.00 0.00 O ATOM 0 H ASP A 64 7.921 8.710 -4.207 1.00 0.00 H new ATOM 0 HA ASP A 64 9.815 6.617 -4.344 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.012 7.507 -6.067 1.00 0.00 H new ATOM 0 HB3 ASP A 64 9.292 8.586 -6.584 1.00 0.00 H new ATOM 1067 N ARG A 65 10.900 9.714 -4.902 1.00 0.00 N ATOM 1068 CA ARG A 65 12.058 10.542 -5.165 1.00 0.00 C ATOM 1069 C ARG A 65 12.935 10.710 -3.929 1.00 0.00 C ATOM 1070 O ARG A 65 14.161 10.637 -4.045 1.00 0.00 O ATOM 1071 CB ARG A 65 11.606 11.842 -5.834 1.00 0.00 C ATOM 1072 CG ARG A 65 11.163 12.996 -4.939 1.00 0.00 C ATOM 1073 CD ARG A 65 10.705 14.185 -5.785 1.00 0.00 C ATOM 1074 NE ARG A 65 9.415 13.943 -6.459 1.00 0.00 N ATOM 1075 CZ ARG A 65 8.313 14.686 -6.348 1.00 0.00 C ATOM 1076 NH1 ARG A 65 8.257 15.706 -5.499 1.00 0.00 N ATOM 1077 NH2 ARG A 65 7.258 14.399 -7.093 1.00 0.00 N ATOM 0 H ARG A 65 10.019 10.229 -4.903 1.00 0.00 H new ATOM 0 HA ARG A 65 12.722 10.047 -5.874 1.00 0.00 H new ATOM 0 HB2 ARG A 65 12.426 12.199 -6.457 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.779 11.603 -6.503 1.00 0.00 H new ATOM 0 HG2 ARG A 65 10.350 12.669 -4.290 1.00 0.00 H new ATOM 0 HG3 ARG A 65 11.986 13.298 -4.292 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.618 15.066 -5.149 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.465 14.407 -6.534 1.00 0.00 H new ATOM 0 HE ARG A 65 9.361 13.128 -7.070 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.065 15.932 -4.919 1.00 0.00 H new ATOM 0 HH12 ARG A 65 7.406 16.264 -5.427 1.00 0.00 H new ATOM 0 HH21 ARG A 65 7.292 13.615 -7.745 1.00 0.00 H new ATOM 0 HH22 ARG A 65 6.411 14.961 -7.015 1.00 0.00 H new ATOM 1091 N TYR A 66 12.317 10.955 -2.774 1.00 0.00 N ATOM 1092 CA TYR A 66 12.974 11.293 -1.506 1.00 0.00 C ATOM 1093 C TYR A 66 12.959 10.180 -0.455 1.00 0.00 C ATOM 1094 O TYR A 66 13.569 10.349 0.608 1.00 0.00 O ATOM 1095 CB TYR A 66 12.277 12.511 -0.890 1.00 0.00 C ATOM 1096 CG TYR A 66 12.369 13.796 -1.686 1.00 0.00 C ATOM 1097 CD1 TYR A 66 13.604 14.228 -2.208 1.00 0.00 C ATOM 1098 CD2 TYR A 66 11.218 14.581 -1.878 1.00 0.00 C ATOM 1099 CE1 TYR A 66 13.677 15.412 -2.957 1.00 0.00 C ATOM 1100 CE2 TYR A 66 11.284 15.769 -2.623 1.00 0.00 C ATOM 1101 CZ TYR A 66 12.515 16.177 -3.182 1.00 0.00 C ATOM 1102 OH TYR A 66 12.590 17.295 -3.949 1.00 0.00 O ATOM 0 H TYR A 66 11.301 10.923 -2.690 1.00 0.00 H new ATOM 0 HA TYR A 66 14.017 11.479 -1.763 1.00 0.00 H new ATOM 0 HB2 TYR A 66 11.224 12.269 -0.747 1.00 0.00 H new ATOM 0 HB3 TYR A 66 12.701 12.687 0.099 1.00 0.00 H new ATOM 0 HD1 TYR A 66 14.497 13.646 -2.031 1.00 0.00 H new ATOM 0 HD2 TYR A 66 10.277 14.268 -1.450 1.00 0.00 H new ATOM 0 HE1 TYR A 66 14.624 15.737 -3.361 1.00 0.00 H new ATOM 0 HE2 TYR A 66 10.397 16.368 -2.768 1.00 0.00 H new ATOM 0 HH TYR A 66 11.704 17.710 -4.010 1.00 0.00 H new ATOM 1112 N GLY A 67 12.250 9.077 -0.687 1.00 0.00 N ATOM 1113 CA GLY A 67 11.977 8.123 0.372 1.00 0.00 C ATOM 1114 C GLY A 67 10.913 8.662 1.328 1.00 0.00 C ATOM 1115 O GLY A 67 10.288 9.703 1.101 1.00 0.00 O ATOM 0 H GLY A 67 11.859 8.828 -1.595 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.640 7.180 -0.060 1.00 0.00 H new ATOM 0 HA3 GLY A 67 12.894 7.912 0.923 1.00 0.00 H new ATOM 1119 N GLU A 68 10.687 7.932 2.418 1.00 0.00 N ATOM 1120 CA GLU A 68 9.572 8.155 3.332 1.00 0.00 C ATOM 1121 C GLU A 68 9.737 9.446 4.147 1.00 0.00 C ATOM 1122 O GLU A 68 8.780 9.908 4.761 1.00 0.00 O ATOM 1123 CB GLU A 68 9.410 6.905 4.215 1.00 0.00 C ATOM 1124 CG GLU A 68 7.966 6.623 4.655 1.00 0.00 C ATOM 1125 CD GLU A 68 7.512 7.379 5.902 1.00 0.00 C ATOM 1126 OE1 GLU A 68 8.114 7.151 6.981 1.00 0.00 O ATOM 1127 OE2 GLU A 68 6.517 8.132 5.836 1.00 0.00 O ATOM 0 H GLU A 68 11.286 7.154 2.695 1.00 0.00 H new ATOM 0 HA GLU A 68 8.656 8.304 2.761 1.00 0.00 H new ATOM 0 HB2 GLU A 68 9.787 6.039 3.671 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.032 7.019 5.103 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.296 6.874 3.833 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.860 5.554 4.838 1.00 0.00 H new ATOM 1134 N GLU A 69 10.919 10.066 4.144 1.00 0.00 N ATOM 1135 CA GLU A 69 11.150 11.369 4.768 1.00 0.00 C ATOM 1136 C GLU A 69 10.412 12.444 3.965 1.00 0.00 C ATOM 1137 O GLU A 69 9.729 13.302 4.531 1.00 0.00 O ATOM 1138 CB GLU A 69 12.648 11.693 4.754 1.00 0.00 C ATOM 1139 CG GLU A 69 13.389 11.045 5.927 1.00 0.00 C ATOM 1140 CD GLU A 69 13.532 9.535 5.743 1.00 0.00 C ATOM 1141 OE1 GLU A 69 13.865 9.080 4.622 1.00 0.00 O ATOM 1142 OE2 GLU A 69 13.359 8.776 6.719 1.00 0.00 O ATOM 0 H GLU A 69 11.751 9.673 3.704 1.00 0.00 H new ATOM 0 HA GLU A 69 10.789 11.345 5.796 1.00 0.00 H new ATOM 0 HB2 GLU A 69 13.084 11.349 3.816 1.00 0.00 H new ATOM 0 HB3 GLU A 69 12.785 12.774 4.792 1.00 0.00 H new ATOM 0 HG2 GLU A 69 14.377 11.494 6.026 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.852 11.249 6.853 1.00 0.00 H new ATOM 1149 N GLY A 70 10.536 12.375 2.635 1.00 0.00 N ATOM 1150 CA GLY A 70 9.930 13.317 1.711 1.00 0.00 C ATOM 1151 C GLY A 70 8.413 13.260 1.728 1.00 0.00 C ATOM 1152 O GLY A 70 7.769 14.220 1.316 1.00 0.00 O ATOM 0 H GLY A 70 11.074 11.644 2.169 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.255 14.327 1.963 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.286 13.110 0.702 1.00 0.00 H new ATOM 1156 N LEU A 71 7.846 12.145 2.197 1.00 0.00 N ATOM 1157 CA LEU A 71 6.462 11.771 1.964 1.00 0.00 C ATOM 1158 C LEU A 71 5.564 12.814 2.614 1.00 0.00 C ATOM 1159 O LEU A 71 4.787 13.457 1.906 1.00 0.00 O ATOM 1160 CB LEU A 71 6.254 10.346 2.512 1.00 0.00 C ATOM 1161 CG LEU A 71 4.893 9.686 2.221 1.00 0.00 C ATOM 1162 CD1 LEU A 71 5.014 8.191 2.536 1.00 0.00 C ATOM 1163 CD2 LEU A 71 3.724 10.209 3.063 1.00 0.00 C ATOM 0 H LEU A 71 8.355 11.466 2.762 1.00 0.00 H new ATOM 0 HA LEU A 71 6.206 11.751 0.905 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.037 9.707 2.104 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.395 10.373 3.592 1.00 0.00 H new ATOM 0 HG LEU A 71 4.672 9.913 1.178 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.062 7.699 2.338 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.788 7.749 1.909 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.278 8.061 3.585 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.811 9.683 2.784 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.932 10.040 4.119 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.596 11.277 2.885 1.00 0.00 H new