USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 862 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 97 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 115 HIS : no HD1:sc= -0.0359 X(o=-0.036,f=-0.14) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -1.97! USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -40:sc= 0.13 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -0.318 X(o=-0.32,f=-0.59) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.778 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.074 X(o=-0.074,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 158:sc= 0.0695 (180deg=0.00922) USER MOD Single : A 70 ASN : amide:sc= -1.05 X(o=-1.1,f=-0.67) USER MOD Single : A 71 SER OG : rot 53:sc= 0.121 USER MOD Single : A 74 SER OG : rot 122:sc= -0.68 USER MOD Single : A 80 THR OG1 : rot -68:sc= -4.14 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot -170:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -0.594 0.649 14.229 1.00 0.00 N ATOM 21 CA LYS A 2 -0.215 -0.182 13.093 1.00 0.00 C ATOM 22 C LYS A 2 -1.435 -0.551 12.255 1.00 0.00 C ATOM 23 O LYS A 2 -2.180 -1.470 12.594 1.00 0.00 O ATOM 24 CB LYS A 2 0.489 -1.446 13.575 1.00 0.00 C ATOM 25 CG LYS A 2 2.006 -1.350 13.540 1.00 0.00 C ATOM 26 CD LYS A 2 2.530 -0.390 14.596 1.00 0.00 C ATOM 27 CE LYS A 2 3.969 -0.706 14.974 1.00 0.00 C ATOM 28 NZ LYS A 2 4.858 0.478 14.812 1.00 0.00 N ATOM 0 HA LYS A 2 0.470 0.391 12.468 1.00 0.00 H new ATOM 0 HB2 LYS A 2 0.171 -1.663 14.595 1.00 0.00 H new ATOM 0 HB3 LYS A 2 0.172 -2.286 12.957 1.00 0.00 H new ATOM 0 HG2 LYS A 2 2.438 -2.338 13.699 1.00 0.00 H new ATOM 0 HG3 LYS A 2 2.328 -1.017 12.553 1.00 0.00 H new ATOM 0 HD2 LYS A 2 2.467 0.632 14.223 1.00 0.00 H new ATOM 0 HD3 LYS A 2 1.899 -0.445 15.483 1.00 0.00 H new ATOM 0 HE2 LYS A 2 4.006 -1.049 16.008 1.00 0.00 H new ATOM 0 HE3 LYS A 2 4.336 -1.524 14.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 5.830 0.222 15.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 4.843 0.790 13.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 4.523 1.250 15.423 1.00 0.00 H new ATOM 42 N ARG A 3 -1.633 0.172 11.156 1.00 0.00 N ATOM 43 CA ARG A 3 -2.762 -0.079 10.267 1.00 0.00 C ATOM 44 C ARG A 3 -2.383 0.205 8.817 1.00 0.00 C ATOM 45 O ARG A 3 -2.609 1.301 8.311 1.00 0.00 O ATOM 46 CB ARG A 3 -3.963 0.784 10.666 1.00 0.00 C ATOM 47 CG ARG A 3 -4.114 0.969 12.169 1.00 0.00 C ATOM 48 CD ARG A 3 -3.246 2.108 12.682 1.00 0.00 C ATOM 49 NE ARG A 3 -4.020 3.094 13.433 1.00 0.00 N ATOM 50 CZ ARG A 3 -4.731 4.067 12.868 1.00 0.00 C ATOM 51 NH1 ARG A 3 -4.774 4.188 11.547 1.00 0.00 N ATOM 52 NH2 ARG A 3 -5.403 4.922 13.627 1.00 0.00 N ATOM 0 H ARG A 3 -1.026 0.936 10.860 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.034 -1.131 10.359 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -3.867 1.763 10.197 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -4.872 0.329 10.272 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -5.158 1.170 12.409 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -3.842 0.045 12.679 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -2.459 1.705 13.319 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -2.756 2.597 11.840 1.00 0.00 H new ATOM 0 HE ARG A 3 -4.015 3.033 14.451 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -4.260 3.533 10.958 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -5.321 4.936 11.121 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -5.375 4.834 14.643 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -5.948 5.668 13.195 1.00 0.00 H new ATOM 66 N VAL A 4 -1.803 -0.789 8.155 1.00 0.00 N ATOM 67 CA VAL A 4 -1.390 -0.640 6.764 1.00 0.00 C ATOM 68 C VAL A 4 -2.565 -0.847 5.811 1.00 0.00 C ATOM 69 O VAL A 4 -3.463 -1.642 6.083 1.00 0.00 O ATOM 70 CB VAL A 4 -0.264 -1.629 6.412 1.00 0.00 C ATOM 71 CG1 VAL A 4 0.289 -1.340 5.024 1.00 0.00 C ATOM 72 CG2 VAL A 4 0.840 -1.569 7.462 1.00 0.00 C ATOM 0 H VAL A 4 -1.608 -1.706 8.558 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.018 0.378 6.647 1.00 0.00 H new ATOM 0 HB VAL A 4 -0.676 -2.638 6.406 1.00 0.00 H new ATOM 0 HG11 VAL A 4 1.084 -2.050 4.794 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.508 -1.437 4.287 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.688 -0.326 4.995 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.630 -2.273 7.200 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.252 -0.560 7.500 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.429 -1.830 8.437 1.00 0.00 H new ATOM 82 N LEU A 5 -2.559 -0.123 4.695 1.00 0.00 N ATOM 83 CA LEU A 5 -3.631 -0.228 3.708 1.00 0.00 C ATOM 84 C LEU A 5 -3.163 -0.972 2.462 1.00 0.00 C ATOM 85 O LEU A 5 -2.040 -0.785 1.995 1.00 0.00 O ATOM 86 CB LEU A 5 -4.144 1.161 3.320 1.00 0.00 C ATOM 87 CG LEU A 5 -5.342 1.164 2.366 1.00 0.00 C ATOM 88 CD1 LEU A 5 -6.586 0.639 3.068 1.00 0.00 C ATOM 89 CD2 LEU A 5 -5.588 2.562 1.819 1.00 0.00 C ATOM 0 H LEU A 5 -1.825 0.542 4.451 1.00 0.00 H new ATOM 0 HA LEU A 5 -4.444 -0.794 4.163 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -4.420 1.697 4.228 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.329 1.717 2.857 1.00 0.00 H new ATOM 0 HG LEU A 5 -5.115 0.503 1.529 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.427 0.649 2.374 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.408 -0.381 3.409 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.815 1.273 3.925 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.443 2.543 1.143 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.792 3.245 2.644 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.705 2.901 1.277 1.00 0.00 H new ATOM 101 N VAL A 6 -4.038 -1.820 1.933 1.00 0.00 N ATOM 102 CA VAL A 6 -3.729 -2.604 0.742 1.00 0.00 C ATOM 103 C VAL A 6 -4.658 -2.251 -0.414 1.00 0.00 C ATOM 104 O VAL A 6 -5.833 -1.951 -0.211 1.00 0.00 O ATOM 105 CB VAL A 6 -3.851 -4.113 1.023 1.00 0.00 C ATOM 106 CG1 VAL A 6 -3.343 -4.928 -0.160 1.00 0.00 C ATOM 107 CG2 VAL A 6 -3.108 -4.480 2.299 1.00 0.00 C ATOM 0 H VAL A 6 -4.971 -1.983 2.312 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.702 -2.363 0.468 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.905 -4.352 1.164 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.439 -5.991 0.062 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.930 -4.688 -1.046 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.295 -4.689 -0.343 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.205 -5.550 2.482 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.054 -4.224 2.193 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.532 -3.929 3.138 1.00 0.00 H new ATOM 117 N VAL A 7 -4.124 -2.303 -1.629 1.00 0.00 N ATOM 118 CA VAL A 7 -4.906 -2.005 -2.821 1.00 0.00 C ATOM 119 C VAL A 7 -4.677 -3.072 -3.883 1.00 0.00 C ATOM 120 O VAL A 7 -3.549 -3.300 -4.310 1.00 0.00 O ATOM 121 CB VAL A 7 -4.553 -0.622 -3.404 1.00 0.00 C ATOM 122 CG1 VAL A 7 -5.548 -0.226 -4.484 1.00 0.00 C ATOM 123 CG2 VAL A 7 -4.505 0.425 -2.303 1.00 0.00 C ATOM 0 H VAL A 7 -3.152 -2.549 -1.814 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.955 -1.995 -2.527 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.565 -0.683 -3.859 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.282 0.753 -4.883 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.526 -0.963 -5.287 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.550 -0.184 -4.058 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.254 1.395 -2.734 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.478 0.485 -1.815 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.748 0.147 -1.569 1.00 0.00 H new ATOM 133 N ASP A 8 -5.749 -3.735 -4.296 1.00 0.00 N ATOM 134 CA ASP A 8 -5.644 -4.786 -5.298 1.00 0.00 C ATOM 135 C ASP A 8 -6.979 -4.985 -6.008 1.00 0.00 C ATOM 136 O ASP A 8 -8.039 -4.782 -5.421 1.00 0.00 O ATOM 137 CB ASP A 8 -5.175 -6.087 -4.634 1.00 0.00 C ATOM 138 CG ASP A 8 -5.272 -7.292 -5.551 1.00 0.00 C ATOM 139 OD1 ASP A 8 -5.107 -7.121 -6.778 1.00 0.00 O ATOM 140 OD2 ASP A 8 -5.509 -8.407 -5.042 1.00 0.00 O ATOM 0 H ASP A 8 -6.695 -3.565 -3.955 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.910 -4.492 -6.048 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -4.142 -5.969 -4.307 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.773 -6.268 -3.741 1.00 0.00 H new ATOM 145 N ASP A 9 -6.918 -5.376 -7.276 1.00 0.00 N ATOM 146 CA ASP A 9 -8.119 -5.594 -8.072 1.00 0.00 C ATOM 147 C ASP A 9 -8.691 -6.990 -7.837 1.00 0.00 C ATOM 148 O ASP A 9 -8.991 -7.720 -8.781 1.00 0.00 O ATOM 149 CB ASP A 9 -7.811 -5.383 -9.558 1.00 0.00 C ATOM 150 CG ASP A 9 -9.029 -5.579 -10.439 1.00 0.00 C ATOM 151 OD1 ASP A 9 -10.007 -4.820 -10.276 1.00 0.00 O ATOM 152 OD2 ASP A 9 -9.005 -6.491 -11.292 1.00 0.00 O ATOM 0 H ASP A 9 -6.046 -5.549 -7.776 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.871 -4.869 -7.760 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.419 -4.377 -9.705 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -7.029 -6.077 -9.865 1.00 0.00 H new ATOM 157 N GLU A 10 -8.841 -7.350 -6.567 1.00 0.00 N ATOM 158 CA GLU A 10 -9.383 -8.654 -6.196 1.00 0.00 C ATOM 159 C GLU A 10 -10.491 -8.501 -5.157 1.00 0.00 C ATOM 160 O GLU A 10 -10.978 -7.397 -4.915 1.00 0.00 O ATOM 161 CB GLU A 10 -8.272 -9.555 -5.650 1.00 0.00 C ATOM 162 CG GLU A 10 -8.415 -11.014 -6.055 1.00 0.00 C ATOM 163 CD GLU A 10 -8.453 -11.951 -4.864 1.00 0.00 C ATOM 164 OE1 GLU A 10 -9.522 -12.058 -4.226 1.00 0.00 O ATOM 165 OE2 GLU A 10 -7.414 -12.577 -4.567 1.00 0.00 O ATOM 0 H GLU A 10 -8.595 -6.756 -5.775 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.806 -9.115 -7.088 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.309 -9.183 -6.000 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.264 -9.488 -4.562 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.328 -11.137 -6.638 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.583 -11.290 -6.703 1.00 0.00 H new ATOM 217 N THR A 14 -5.701 -9.638 0.551 1.00 0.00 N ATOM 218 CA THR A 14 -4.818 -10.332 -0.373 1.00 0.00 C ATOM 219 C THR A 14 -4.202 -11.555 0.301 1.00 0.00 C ATOM 220 O THR A 14 -3.591 -11.450 1.366 1.00 0.00 O ATOM 221 CB THR A 14 -3.726 -9.384 -0.878 1.00 0.00 C ATOM 222 OG1 THR A 14 -2.770 -9.132 0.135 1.00 0.00 O ATOM 223 CG2 THR A 14 -4.263 -8.044 -1.341 1.00 0.00 C ATOM 0 HA THR A 14 -5.402 -10.670 -1.229 1.00 0.00 H new ATOM 0 HB THR A 14 -3.275 -9.894 -1.729 1.00 0.00 H new ATOM 0 HG1 THR A 14 -2.081 -8.526 -0.209 1.00 0.00 H new ATOM 0 HG21 THR A 14 -3.438 -7.421 -1.686 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.968 -8.197 -2.158 1.00 0.00 H new ATOM 0 HG23 THR A 14 -4.770 -7.549 -0.512 1.00 0.00 H new ATOM 231 N SER A 15 -4.390 -12.717 -0.319 1.00 0.00 N ATOM 232 CA SER A 15 -3.881 -13.982 0.213 1.00 0.00 C ATOM 233 C SER A 15 -2.474 -13.848 0.792 1.00 0.00 C ATOM 234 O SER A 15 -1.587 -13.260 0.174 1.00 0.00 O ATOM 235 CB SER A 15 -3.889 -15.051 -0.880 1.00 0.00 C ATOM 236 OG SER A 15 -5.214 -15.392 -1.252 1.00 0.00 O ATOM 0 H SER A 15 -4.896 -12.810 -1.200 1.00 0.00 H new ATOM 0 HA SER A 15 -4.543 -14.276 1.027 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.345 -14.688 -1.752 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.367 -15.940 -0.527 1.00 0.00 H new ATOM 0 HG SER A 15 -5.191 -16.076 -1.953 1.00 0.00 H new ATOM 242 N SER A 16 -2.283 -14.417 1.987 1.00 0.00 N ATOM 243 CA SER A 16 -0.990 -14.394 2.675 1.00 0.00 C ATOM 244 C SER A 16 -0.727 -13.063 3.382 1.00 0.00 C ATOM 245 O SER A 16 0.236 -12.943 4.135 1.00 0.00 O ATOM 246 CB SER A 16 0.147 -14.693 1.697 1.00 0.00 C ATOM 247 OG SER A 16 1.328 -15.065 2.386 1.00 0.00 O ATOM 0 H SER A 16 -3.017 -14.904 2.501 1.00 0.00 H new ATOM 0 HA SER A 16 -1.029 -15.171 3.438 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.152 -15.495 1.022 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.342 -13.814 1.082 1.00 0.00 H new ATOM 0 HG SER A 16 1.434 -14.502 3.181 1.00 0.00 H new ATOM 253 N LEU A 17 -1.572 -12.068 3.140 1.00 0.00 N ATOM 254 CA LEU A 17 -1.402 -10.757 3.763 1.00 0.00 C ATOM 255 C LEU A 17 -2.146 -10.680 5.092 1.00 0.00 C ATOM 256 O LEU A 17 -1.562 -10.344 6.123 1.00 0.00 O ATOM 257 CB LEU A 17 -1.912 -9.667 2.812 1.00 0.00 C ATOM 258 CG LEU A 17 -1.208 -8.298 2.869 1.00 0.00 C ATOM 259 CD1 LEU A 17 -2.145 -7.250 3.444 1.00 0.00 C ATOM 260 CD2 LEU A 17 0.089 -8.350 3.672 1.00 0.00 C ATOM 0 H LEU A 17 -2.379 -12.141 2.520 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.341 -10.603 3.961 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.834 -10.045 1.792 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.972 -9.511 3.014 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.944 -8.024 1.848 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.636 -6.287 3.479 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.031 -7.169 2.814 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.441 -7.541 4.452 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.549 -7.362 3.684 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.128 -8.662 4.694 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.773 -9.063 3.212 1.00 0.00 H new ATOM 272 N SER A 18 -3.438 -10.993 5.063 1.00 0.00 N ATOM 273 CA SER A 18 -4.264 -10.957 6.267 1.00 0.00 C ATOM 274 C SER A 18 -3.620 -11.750 7.400 1.00 0.00 C ATOM 275 O SER A 18 -3.450 -11.242 8.508 1.00 0.00 O ATOM 276 CB SER A 18 -5.659 -11.512 5.971 1.00 0.00 C ATOM 277 OG SER A 18 -6.628 -10.944 6.836 1.00 0.00 O ATOM 0 H SER A 18 -3.936 -11.275 4.219 1.00 0.00 H new ATOM 0 HA SER A 18 -4.351 -9.917 6.582 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.925 -11.303 4.935 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.655 -12.596 6.086 1.00 0.00 H new ATOM 0 HG SER A 18 -7.511 -11.313 6.626 1.00 0.00 H new ATOM 283 N ALA A 19 -3.259 -12.999 7.115 1.00 0.00 N ATOM 284 CA ALA A 19 -2.632 -13.859 8.111 1.00 0.00 C ATOM 285 C ALA A 19 -1.355 -13.226 8.654 1.00 0.00 C ATOM 286 O ALA A 19 -1.080 -13.284 9.853 1.00 0.00 O ATOM 287 CB ALA A 19 -2.332 -15.224 7.513 1.00 0.00 C ATOM 0 H ALA A 19 -3.390 -13.436 6.203 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.328 -13.982 8.941 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.864 -15.857 8.267 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.260 -15.686 7.177 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.656 -15.109 6.665 1.00 0.00 H new ATOM 293 N ILE A 20 -0.579 -12.621 7.761 1.00 0.00 N ATOM 294 CA ILE A 20 0.670 -11.976 8.145 1.00 0.00 C ATOM 295 C ILE A 20 0.421 -10.854 9.148 1.00 0.00 C ATOM 296 O ILE A 20 0.830 -10.947 10.306 1.00 0.00 O ATOM 297 CB ILE A 20 1.415 -11.427 6.904 1.00 0.00 C ATOM 298 CG1 ILE A 20 2.099 -12.570 6.159 1.00 0.00 C ATOM 299 CG2 ILE A 20 2.440 -10.368 7.294 1.00 0.00 C ATOM 300 CD1 ILE A 20 2.686 -12.154 4.831 1.00 0.00 C ATOM 0 H ILE A 20 -0.794 -12.564 6.766 1.00 0.00 H new ATOM 0 HA ILE A 20 1.298 -12.730 8.620 1.00 0.00 H new ATOM 0 HB ILE A 20 0.681 -10.957 6.250 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.891 -12.980 6.786 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.377 -13.370 5.994 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.945 -10.004 6.399 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.936 -9.538 7.789 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.173 -10.804 7.973 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.156 -13.015 4.356 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.894 -11.771 4.187 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.432 -11.375 4.991 1.00 0.00 H new ATOM 312 N LEU A 21 -0.254 -9.798 8.706 1.00 0.00 N ATOM 313 CA LEU A 21 -0.555 -8.671 9.580 1.00 0.00 C ATOM 314 C LEU A 21 -1.197 -9.152 10.877 1.00 0.00 C ATOM 315 O LEU A 21 -0.973 -8.579 11.944 1.00 0.00 O ATOM 316 CB LEU A 21 -1.480 -7.697 8.866 1.00 0.00 C ATOM 317 CG LEU A 21 -0.900 -7.116 7.580 1.00 0.00 C ATOM 318 CD1 LEU A 21 -1.891 -7.253 6.439 1.00 0.00 C ATOM 319 CD2 LEU A 21 -0.501 -5.663 7.788 1.00 0.00 C ATOM 0 H LEU A 21 -0.601 -9.699 7.752 1.00 0.00 H new ATOM 0 HA LEU A 21 0.377 -8.163 9.828 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.415 -8.206 8.633 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.723 -6.879 9.545 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.005 -7.678 7.315 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.460 -6.833 5.530 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.119 -8.307 6.279 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.807 -6.717 6.687 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.089 -5.263 6.862 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.378 -5.083 8.076 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.250 -5.601 8.576 1.00 0.00 H new ATOM 331 N GLU A 22 -1.986 -10.215 10.775 1.00 0.00 N ATOM 332 CA GLU A 22 -2.651 -10.788 11.937 1.00 0.00 C ATOM 333 C GLU A 22 -1.634 -11.433 12.872 1.00 0.00 C ATOM 334 O GLU A 22 -1.860 -11.527 14.079 1.00 0.00 O ATOM 335 CB GLU A 22 -3.693 -11.814 11.503 1.00 0.00 C ATOM 336 CG GLU A 22 -5.028 -11.199 11.114 1.00 0.00 C ATOM 337 CD GLU A 22 -6.210 -12.018 11.596 1.00 0.00 C ATOM 338 OE1 GLU A 22 -6.335 -12.217 12.822 1.00 0.00 O ATOM 339 OE2 GLU A 22 -7.012 -12.460 10.745 1.00 0.00 O ATOM 0 H GLU A 22 -2.181 -10.698 9.898 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.155 -9.984 12.474 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.303 -12.380 10.657 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.852 -12.524 12.315 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.095 -10.193 11.528 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.077 -11.101 10.029 1.00 0.00 H new ATOM 346 N GLU A 23 -0.509 -11.870 12.310 1.00 0.00 N ATOM 347 CA GLU A 23 0.543 -12.495 13.095 1.00 0.00 C ATOM 348 C GLU A 23 1.407 -11.426 13.758 1.00 0.00 C ATOM 349 O GLU A 23 1.887 -11.602 14.877 1.00 0.00 O ATOM 350 CB GLU A 23 1.398 -13.399 12.201 1.00 0.00 C ATOM 351 CG GLU A 23 2.731 -13.790 12.816 1.00 0.00 C ATOM 352 CD GLU A 23 3.042 -15.266 12.651 1.00 0.00 C ATOM 353 OE1 GLU A 23 2.396 -16.088 13.334 1.00 0.00 O ATOM 354 OE2 GLU A 23 3.932 -15.598 11.840 1.00 0.00 O ATOM 0 H GLU A 23 -0.306 -11.801 11.313 1.00 0.00 H new ATOM 0 HA GLU A 23 0.090 -13.107 13.875 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.835 -14.304 11.972 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.581 -12.890 11.255 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.525 -13.202 12.356 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.724 -13.541 13.877 1.00 0.00 H new ATOM 361 N GLU A 24 1.597 -10.315 13.052 1.00 0.00 N ATOM 362 CA GLU A 24 2.398 -9.212 13.565 1.00 0.00 C ATOM 363 C GLU A 24 1.586 -8.343 14.521 1.00 0.00 C ATOM 364 O GLU A 24 2.139 -7.710 15.421 1.00 0.00 O ATOM 365 CB GLU A 24 2.927 -8.361 12.412 1.00 0.00 C ATOM 366 CG GLU A 24 4.058 -9.018 11.639 1.00 0.00 C ATOM 367 CD GLU A 24 5.386 -8.930 12.365 1.00 0.00 C ATOM 368 OE1 GLU A 24 5.900 -7.804 12.528 1.00 0.00 O ATOM 369 OE2 GLU A 24 5.913 -9.988 12.771 1.00 0.00 O ATOM 0 H GLU A 24 1.206 -10.156 12.123 1.00 0.00 H new ATOM 0 HA GLU A 24 3.239 -9.634 14.114 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.108 -8.144 11.726 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.274 -7.406 12.806 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.813 -10.065 11.463 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.150 -8.543 10.662 1.00 0.00 H new ATOM 376 N GLY A 25 0.272 -8.312 14.318 1.00 0.00 N ATOM 377 CA GLY A 25 -0.591 -7.516 15.166 1.00 0.00 C ATOM 378 C GLY A 25 -0.832 -6.131 14.600 1.00 0.00 C ATOM 379 O GLY A 25 -0.495 -5.127 15.229 1.00 0.00 O ATOM 0 H GLY A 25 -0.209 -8.826 13.580 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.546 -8.027 15.291 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.144 -7.429 16.156 1.00 0.00 H new ATOM 383 N TYR A 26 -1.408 -6.078 13.405 1.00 0.00 N ATOM 384 CA TYR A 26 -1.688 -4.809 12.743 1.00 0.00 C ATOM 385 C TYR A 26 -3.177 -4.650 12.454 1.00 0.00 C ATOM 386 O TYR A 26 -3.991 -5.506 12.801 1.00 0.00 O ATOM 387 CB TYR A 26 -0.921 -4.719 11.422 1.00 0.00 C ATOM 388 CG TYR A 26 0.540 -4.361 11.566 1.00 0.00 C ATOM 389 CD1 TYR A 26 1.384 -5.102 12.382 1.00 0.00 C ATOM 390 CD2 TYR A 26 1.074 -3.281 10.876 1.00 0.00 C ATOM 391 CE1 TYR A 26 2.722 -4.776 12.504 1.00 0.00 C ATOM 392 CE2 TYR A 26 2.410 -2.949 10.993 1.00 0.00 C ATOM 393 CZ TYR A 26 3.229 -3.699 11.808 1.00 0.00 C ATOM 394 OH TYR A 26 4.561 -3.372 11.928 1.00 0.00 O ATOM 0 H TYR A 26 -1.691 -6.901 12.873 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.370 -4.014 13.417 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.998 -5.676 10.906 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -1.403 -3.975 10.787 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.990 -5.945 12.929 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.434 -2.690 10.237 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.367 -5.362 13.142 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.810 -2.106 10.449 1.00 0.00 H new ATOM 0 HH TYR A 26 4.757 -2.589 11.372 1.00 0.00 H new ATOM 404 N HIS A 27 -3.506 -3.556 11.781 1.00 0.00 N ATOM 405 CA HIS A 27 -4.877 -3.261 11.387 1.00 0.00 C ATOM 406 C HIS A 27 -4.908 -3.020 9.883 1.00 0.00 C ATOM 407 O HIS A 27 -4.893 -1.879 9.422 1.00 0.00 O ATOM 408 CB HIS A 27 -5.406 -2.037 12.140 1.00 0.00 C ATOM 409 CG HIS A 27 -6.800 -2.208 12.657 1.00 0.00 C ATOM 410 ND1 HIS A 27 -7.297 -3.416 13.101 1.00 0.00 N ATOM 411 CD2 HIS A 27 -7.807 -1.313 12.802 1.00 0.00 C ATOM 412 CE1 HIS A 27 -8.548 -3.256 13.496 1.00 0.00 C ATOM 413 NE2 HIS A 27 -8.881 -1.990 13.326 1.00 0.00 N ATOM 0 H HIS A 27 -2.830 -2.848 11.493 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.520 -4.105 11.638 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.741 -1.820 12.976 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.377 -1.172 11.477 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -7.772 -0.263 12.552 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -9.189 -4.030 13.891 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -9.789 -1.581 13.548 1.00 0.00 H new ATOM 422 N PRO A 28 -4.901 -4.108 9.098 1.00 0.00 N ATOM 423 CA PRO A 28 -4.877 -4.033 7.641 1.00 0.00 C ATOM 424 C PRO A 28 -6.246 -3.857 6.999 1.00 0.00 C ATOM 425 O PRO A 28 -7.254 -4.376 7.481 1.00 0.00 O ATOM 426 CB PRO A 28 -4.278 -5.381 7.250 1.00 0.00 C ATOM 427 CG PRO A 28 -4.733 -6.319 8.317 1.00 0.00 C ATOM 428 CD PRO A 28 -4.873 -5.502 9.578 1.00 0.00 C ATOM 0 HA PRO A 28 -4.320 -3.161 7.300 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -4.626 -5.699 6.267 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.190 -5.333 7.202 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.683 -6.781 8.047 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -4.014 -7.126 8.456 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -5.784 -5.756 10.119 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -4.039 -5.673 10.259 1.00 0.00 H new ATOM 436 N ASP A 29 -6.252 -3.134 5.885 1.00 0.00 N ATOM 437 CA ASP A 29 -7.462 -2.883 5.118 1.00 0.00 C ATOM 438 C ASP A 29 -7.128 -2.992 3.638 1.00 0.00 C ATOM 439 O ASP A 29 -6.106 -2.477 3.195 1.00 0.00 O ATOM 440 CB ASP A 29 -8.023 -1.496 5.435 1.00 0.00 C ATOM 441 CG ASP A 29 -9.336 -1.229 4.726 1.00 0.00 C ATOM 442 OD1 ASP A 29 -10.395 -1.591 5.282 1.00 0.00 O ATOM 443 OD2 ASP A 29 -9.307 -0.659 3.616 1.00 0.00 O ATOM 0 H ASP A 29 -5.415 -2.705 5.489 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.222 -3.618 5.382 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -8.169 -1.403 6.511 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.296 -0.738 5.145 1.00 0.00 H new ATOM 448 N THR A 30 -7.970 -3.672 2.873 1.00 0.00 N ATOM 449 CA THR A 30 -7.713 -3.840 1.449 1.00 0.00 C ATOM 450 C THR A 30 -8.857 -3.305 0.599 1.00 0.00 C ATOM 451 O THR A 30 -10.028 -3.580 0.865 1.00 0.00 O ATOM 452 CB THR A 30 -7.469 -5.312 1.135 1.00 0.00 C ATOM 453 OG1 THR A 30 -8.684 -6.041 1.168 1.00 0.00 O ATOM 454 CG2 THR A 30 -6.512 -5.966 2.105 1.00 0.00 C ATOM 0 H THR A 30 -8.827 -4.112 3.208 1.00 0.00 H new ATOM 0 HA THR A 30 -6.823 -3.262 1.202 1.00 0.00 H new ATOM 0 HB THR A 30 -7.029 -5.333 0.138 1.00 0.00 H new ATOM 0 HG1 THR A 30 -8.506 -6.983 0.962 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.376 -7.013 1.832 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.550 -5.454 2.069 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.918 -5.904 3.115 1.00 0.00 H new ATOM 462 N ALA A 31 -8.504 -2.546 -0.432 1.00 0.00 N ATOM 463 CA ALA A 31 -9.488 -1.975 -1.339 1.00 0.00 C ATOM 464 C ALA A 31 -9.522 -2.756 -2.649 1.00 0.00 C ATOM 465 O ALA A 31 -9.029 -3.882 -2.720 1.00 0.00 O ATOM 466 CB ALA A 31 -9.177 -0.507 -1.594 1.00 0.00 C ATOM 0 H ALA A 31 -7.538 -2.312 -0.660 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.473 -2.044 -0.877 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.920 -0.090 -2.274 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.202 0.039 -0.651 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.186 -0.417 -2.040 1.00 0.00 H new ATOM 472 N LYS A 32 -10.105 -2.160 -3.684 1.00 0.00 N ATOM 473 CA LYS A 32 -10.196 -2.818 -4.983 1.00 0.00 C ATOM 474 C LYS A 32 -9.340 -2.101 -6.022 1.00 0.00 C ATOM 475 O LYS A 32 -8.818 -2.725 -6.946 1.00 0.00 O ATOM 476 CB LYS A 32 -11.651 -2.873 -5.456 1.00 0.00 C ATOM 477 CG LYS A 32 -12.649 -3.140 -4.341 1.00 0.00 C ATOM 478 CD LYS A 32 -14.082 -3.074 -4.846 1.00 0.00 C ATOM 479 CE LYS A 32 -15.067 -3.578 -3.803 1.00 0.00 C ATOM 480 NZ LYS A 32 -15.655 -4.892 -4.181 1.00 0.00 N ATOM 0 H LYS A 32 -10.519 -1.229 -3.650 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.821 -3.835 -4.868 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.903 -1.928 -5.938 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.748 -3.652 -6.212 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -12.459 -4.123 -3.910 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -12.509 -2.410 -3.544 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -14.328 -2.046 -5.112 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -14.176 -3.670 -5.754 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -14.562 -3.670 -2.842 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -15.865 -2.847 -3.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -16.321 -5.200 -3.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -16.159 -4.799 -5.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -14.896 -5.597 -4.278 1.00 0.00 H new ATOM 494 N THR A 33 -9.202 -0.791 -5.866 1.00 0.00 N ATOM 495 CA THR A 33 -8.410 0.009 -6.792 1.00 0.00 C ATOM 496 C THR A 33 -8.063 1.359 -6.176 1.00 0.00 C ATOM 497 O THR A 33 -8.365 1.616 -5.012 1.00 0.00 O ATOM 498 CB THR A 33 -9.170 0.215 -8.105 1.00 0.00 C ATOM 499 OG1 THR A 33 -10.160 -0.783 -8.275 1.00 0.00 O ATOM 500 CG2 THR A 33 -8.274 0.187 -9.324 1.00 0.00 C ATOM 0 H THR A 33 -9.628 -0.259 -5.107 1.00 0.00 H new ATOM 0 HA THR A 33 -7.485 -0.528 -6.999 1.00 0.00 H new ATOM 0 HB THR A 33 -9.619 1.205 -8.026 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.635 -0.632 -9.119 1.00 0.00 H new ATOM 0 HG21 THR A 33 -8.875 0.339 -10.221 1.00 0.00 H new ATOM 0 HG22 THR A 33 -7.530 0.980 -9.247 1.00 0.00 H new ATOM 0 HG23 THR A 33 -7.771 -0.778 -9.384 1.00 0.00 H new ATOM 508 N LEU A 34 -7.429 2.216 -6.966 1.00 0.00 N ATOM 509 CA LEU A 34 -7.045 3.540 -6.496 1.00 0.00 C ATOM 510 C LEU A 34 -8.278 4.373 -6.167 1.00 0.00 C ATOM 511 O LEU A 34 -8.311 5.080 -5.160 1.00 0.00 O ATOM 512 CB LEU A 34 -6.190 4.248 -7.548 1.00 0.00 C ATOM 513 CG LEU A 34 -4.995 3.438 -8.054 1.00 0.00 C ATOM 514 CD1 LEU A 34 -4.478 4.011 -9.365 1.00 0.00 C ATOM 515 CD2 LEU A 34 -3.890 3.409 -7.008 1.00 0.00 C ATOM 0 H LEU A 34 -7.170 2.018 -7.933 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.457 3.425 -5.586 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.823 4.505 -8.397 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.824 5.185 -7.128 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.324 2.414 -8.234 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.628 3.422 -9.709 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.270 3.978 -10.114 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.165 5.044 -9.212 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.048 2.829 -7.385 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.563 4.427 -6.796 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.267 2.951 -6.094 1.00 0.00 H new ATOM 527 N ARG A 35 -9.297 4.274 -7.014 1.00 0.00 N ATOM 528 CA ARG A 35 -10.536 5.009 -6.799 1.00 0.00 C ATOM 529 C ARG A 35 -11.176 4.576 -5.485 1.00 0.00 C ATOM 530 O ARG A 35 -11.597 5.407 -4.680 1.00 0.00 O ATOM 531 CB ARG A 35 -11.507 4.774 -7.958 1.00 0.00 C ATOM 532 CG ARG A 35 -11.017 5.336 -9.284 1.00 0.00 C ATOM 533 CD ARG A 35 -12.107 6.125 -9.993 1.00 0.00 C ATOM 534 NE ARG A 35 -12.037 7.552 -9.686 1.00 0.00 N ATOM 535 CZ ARG A 35 -11.155 8.386 -10.232 1.00 0.00 C ATOM 536 NH1 ARG A 35 -10.267 7.941 -11.112 1.00 0.00 N ATOM 537 NH2 ARG A 35 -11.160 9.668 -9.896 1.00 0.00 N ATOM 0 H ARG A 35 -9.289 3.694 -7.853 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.306 6.073 -6.750 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.677 3.703 -8.067 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -12.468 5.226 -7.714 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.155 5.980 -9.111 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.682 4.520 -9.924 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -12.017 5.981 -11.070 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -13.083 5.739 -9.700 1.00 0.00 H new ATOM 0 HE ARG A 35 -12.703 7.931 -9.013 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -10.258 6.955 -11.373 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.594 8.585 -11.527 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -11.840 10.015 -9.219 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -10.484 10.307 -10.314 1.00 0.00 H new ATOM 551 N GLU A 36 -11.231 3.265 -5.272 1.00 0.00 N ATOM 552 CA GLU A 36 -11.804 2.712 -4.052 1.00 0.00 C ATOM 553 C GLU A 36 -10.957 3.101 -2.845 1.00 0.00 C ATOM 554 O GLU A 36 -11.485 3.402 -1.775 1.00 0.00 O ATOM 555 CB GLU A 36 -11.907 1.189 -4.155 1.00 0.00 C ATOM 556 CG GLU A 36 -13.292 0.699 -4.549 1.00 0.00 C ATOM 557 CD GLU A 36 -13.675 1.107 -5.957 1.00 0.00 C ATOM 558 OE1 GLU A 36 -12.849 0.920 -6.874 1.00 0.00 O ATOM 559 OE2 GLU A 36 -14.801 1.614 -6.143 1.00 0.00 O ATOM 0 H GLU A 36 -10.885 2.566 -5.930 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.806 3.122 -3.923 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -11.182 0.833 -4.887 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.634 0.749 -3.196 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -13.326 -0.387 -4.467 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -14.027 1.094 -3.847 1.00 0.00 H new ATOM 566 N ALA A 37 -9.639 3.100 -3.029 1.00 0.00 N ATOM 567 CA ALA A 37 -8.722 3.464 -1.955 1.00 0.00 C ATOM 568 C ALA A 37 -8.936 4.912 -1.542 1.00 0.00 C ATOM 569 O ALA A 37 -9.197 5.201 -0.375 1.00 0.00 O ATOM 570 CB ALA A 37 -7.281 3.240 -2.388 1.00 0.00 C ATOM 0 H ALA A 37 -9.185 2.852 -3.908 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.926 2.827 -1.095 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.610 3.517 -1.575 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.135 2.189 -2.637 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.064 3.854 -3.262 1.00 0.00 H new ATOM 576 N GLU A 38 -8.832 5.824 -2.508 1.00 0.00 N ATOM 577 CA GLU A 38 -9.024 7.246 -2.243 1.00 0.00 C ATOM 578 C GLU A 38 -10.283 7.476 -1.418 1.00 0.00 C ATOM 579 O GLU A 38 -10.290 8.283 -0.488 1.00 0.00 O ATOM 580 CB GLU A 38 -9.108 8.025 -3.555 1.00 0.00 C ATOM 581 CG GLU A 38 -7.805 8.045 -4.336 1.00 0.00 C ATOM 582 CD GLU A 38 -7.959 8.657 -5.715 1.00 0.00 C ATOM 583 OE1 GLU A 38 -8.108 9.895 -5.802 1.00 0.00 O ATOM 584 OE2 GLU A 38 -7.933 7.900 -6.707 1.00 0.00 O ATOM 0 H GLU A 38 -8.616 5.602 -3.480 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.167 7.605 -1.673 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.888 7.588 -4.178 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.409 9.050 -3.340 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.058 8.607 -3.775 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.430 7.026 -4.435 1.00 0.00 H new ATOM 591 N LYS A 39 -11.345 6.750 -1.753 1.00 0.00 N ATOM 592 CA LYS A 39 -12.602 6.866 -1.027 1.00 0.00 C ATOM 593 C LYS A 39 -12.389 6.512 0.440 1.00 0.00 C ATOM 594 O LYS A 39 -12.894 7.188 1.336 1.00 0.00 O ATOM 595 CB LYS A 39 -13.661 5.948 -1.642 1.00 0.00 C ATOM 596 CG LYS A 39 -14.982 5.948 -0.891 1.00 0.00 C ATOM 597 CD LYS A 39 -15.056 4.802 0.104 1.00 0.00 C ATOM 598 CE LYS A 39 -16.388 4.784 0.835 1.00 0.00 C ATOM 599 NZ LYS A 39 -16.329 5.538 2.118 1.00 0.00 N ATOM 0 H LYS A 39 -11.359 6.078 -2.520 1.00 0.00 H new ATOM 0 HA LYS A 39 -12.953 7.895 -1.097 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -13.840 6.254 -2.673 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -13.272 4.930 -1.674 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -15.103 6.896 -0.366 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.805 5.869 -1.601 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -14.914 3.856 -0.418 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -14.245 4.893 0.826 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -17.158 5.215 0.196 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.679 3.752 1.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -17.257 5.501 2.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -15.612 5.111 2.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -16.076 6.529 1.927 1.00 0.00 H new ATOM 613 N LYS A 40 -11.628 5.447 0.672 1.00 0.00 N ATOM 614 CA LYS A 40 -11.330 4.996 2.024 1.00 0.00 C ATOM 615 C LYS A 40 -10.335 5.935 2.699 1.00 0.00 C ATOM 616 O LYS A 40 -10.499 6.299 3.864 1.00 0.00 O ATOM 617 CB LYS A 40 -10.768 3.576 1.991 1.00 0.00 C ATOM 618 CG LYS A 40 -11.834 2.501 1.853 1.00 0.00 C ATOM 619 CD LYS A 40 -12.142 1.844 3.189 1.00 0.00 C ATOM 620 CE LYS A 40 -12.976 0.585 3.011 1.00 0.00 C ATOM 621 NZ LYS A 40 -13.322 -0.040 4.317 1.00 0.00 N ATOM 0 H LYS A 40 -11.206 4.879 -0.063 1.00 0.00 H new ATOM 0 HA LYS A 40 -12.255 5.001 2.600 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -10.068 3.491 1.159 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.201 3.398 2.904 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.744 2.940 1.445 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.499 1.744 1.143 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -11.210 1.596 3.697 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -12.676 2.548 3.828 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -13.891 0.829 2.471 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -12.427 -0.131 2.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -13.891 -0.895 4.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -12.449 -0.296 4.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -13.868 0.634 4.891 1.00 0.00 H new ATOM 635 N ILE A 41 -9.303 6.320 1.956 1.00 0.00 N ATOM 636 CA ILE A 41 -8.276 7.216 2.475 1.00 0.00 C ATOM 637 C ILE A 41 -8.810 8.635 2.652 1.00 0.00 C ATOM 638 O ILE A 41 -8.227 9.440 3.379 1.00 0.00 O ATOM 639 CB ILE A 41 -7.047 7.255 1.547 1.00 0.00 C ATOM 640 CG1 ILE A 41 -6.567 5.835 1.239 1.00 0.00 C ATOM 641 CG2 ILE A 41 -5.929 8.072 2.178 1.00 0.00 C ATOM 642 CD1 ILE A 41 -5.654 5.754 0.035 1.00 0.00 C ATOM 0 H ILE A 41 -9.155 6.025 0.991 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.980 6.823 3.448 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.335 7.733 0.611 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -6.043 5.440 2.110 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -7.434 5.195 1.072 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.069 8.089 1.509 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.275 9.091 2.350 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.641 7.622 3.128 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.353 4.719 -0.124 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.181 6.118 -0.847 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.769 6.367 0.207 1.00 0.00 H new ATOM 654 N LYS A 42 -9.922 8.938 1.986 1.00 0.00 N ATOM 655 CA LYS A 42 -10.530 10.262 2.076 1.00 0.00 C ATOM 656 C LYS A 42 -10.791 10.653 3.528 1.00 0.00 C ATOM 657 O LYS A 42 -10.883 11.837 3.854 1.00 0.00 O ATOM 658 CB LYS A 42 -11.834 10.300 1.285 1.00 0.00 C ATOM 659 CG LYS A 42 -12.057 11.608 0.542 1.00 0.00 C ATOM 660 CD LYS A 42 -13.009 12.524 1.296 1.00 0.00 C ATOM 661 CE LYS A 42 -13.084 13.899 0.654 1.00 0.00 C ATOM 662 NZ LYS A 42 -13.493 14.946 1.630 1.00 0.00 N ATOM 0 H LYS A 42 -10.419 8.286 1.379 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.830 10.981 1.650 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.838 9.479 0.568 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -12.668 10.132 1.967 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.102 12.113 0.399 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.460 11.400 -0.449 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -14.003 12.078 1.319 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -12.679 12.622 2.330 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.112 14.156 0.232 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -13.795 13.876 -0.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -13.532 15.869 1.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -14.431 14.715 2.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.802 14.987 2.406 1.00 0.00 H new ATOM 676 N GLU A 43 -10.910 9.653 4.396 1.00 0.00 N ATOM 677 CA GLU A 43 -11.161 9.897 5.811 1.00 0.00 C ATOM 678 C GLU A 43 -10.137 9.175 6.681 1.00 0.00 C ATOM 679 O GLU A 43 -9.501 9.783 7.541 1.00 0.00 O ATOM 680 CB GLU A 43 -12.574 9.444 6.185 1.00 0.00 C ATOM 681 CG GLU A 43 -13.643 9.931 5.221 1.00 0.00 C ATOM 682 CD GLU A 43 -14.952 9.181 5.376 1.00 0.00 C ATOM 683 OE1 GLU A 43 -15.033 8.026 4.903 1.00 0.00 O ATOM 684 OE2 GLU A 43 -15.895 9.747 5.967 1.00 0.00 O ATOM 0 H GLU A 43 -10.837 8.667 4.144 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.070 10.968 5.989 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.599 8.355 6.223 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.809 9.803 7.187 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -13.816 10.995 5.383 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.283 9.819 4.198 1.00 0.00 H new ATOM 691 N LEU A 44 -9.983 7.875 6.452 1.00 0.00 N ATOM 692 CA LEU A 44 -9.037 7.070 7.217 1.00 0.00 C ATOM 693 C LEU A 44 -7.611 7.581 7.031 1.00 0.00 C ATOM 694 O LEU A 44 -7.103 7.638 5.911 1.00 0.00 O ATOM 695 CB LEU A 44 -9.129 5.601 6.794 1.00 0.00 C ATOM 696 CG LEU A 44 -9.866 4.690 7.778 1.00 0.00 C ATOM 697 CD1 LEU A 44 -9.063 4.527 9.058 1.00 0.00 C ATOM 698 CD2 LEU A 44 -11.250 5.243 8.081 1.00 0.00 C ATOM 0 H LEU A 44 -10.501 7.356 5.743 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.295 7.153 8.273 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.630 5.547 5.827 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.119 5.216 6.652 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.981 3.708 7.319 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.603 3.876 9.746 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.094 4.086 8.826 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.916 5.502 9.522 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.760 4.583 8.782 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.157 6.236 8.520 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.826 5.307 7.158 1.00 0.00 H new ATOM 710 N PHE A 45 -6.970 7.947 8.137 1.00 0.00 N ATOM 711 CA PHE A 45 -5.601 8.449 8.097 1.00 0.00 C ATOM 712 C PHE A 45 -4.600 7.297 8.095 1.00 0.00 C ATOM 713 O PHE A 45 -3.748 7.198 8.977 1.00 0.00 O ATOM 714 CB PHE A 45 -5.339 9.370 9.290 1.00 0.00 C ATOM 715 CG PHE A 45 -3.971 9.990 9.282 1.00 0.00 C ATOM 716 CD1 PHE A 45 -3.526 10.704 8.180 1.00 0.00 C ATOM 717 CD2 PHE A 45 -3.128 9.858 10.374 1.00 0.00 C ATOM 718 CE1 PHE A 45 -2.267 11.275 8.169 1.00 0.00 C ATOM 719 CE2 PHE A 45 -1.869 10.427 10.369 1.00 0.00 C ATOM 720 CZ PHE A 45 -1.438 11.136 9.265 1.00 0.00 C ATOM 0 H PHE A 45 -7.377 7.905 9.071 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.474 9.017 7.176 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -6.088 10.162 9.298 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.466 8.802 10.212 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.170 10.815 7.320 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.459 9.304 11.240 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.932 11.829 7.305 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.223 10.317 11.227 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.454 11.581 9.259 1.00 0.00 H new ATOM 730 N PHE A 46 -4.714 6.428 7.096 1.00 0.00 N ATOM 731 CA PHE A 46 -3.823 5.279 6.973 1.00 0.00 C ATOM 732 C PHE A 46 -2.360 5.724 6.898 1.00 0.00 C ATOM 733 O PHE A 46 -1.987 6.508 6.025 1.00 0.00 O ATOM 734 CB PHE A 46 -4.181 4.468 5.725 1.00 0.00 C ATOM 735 CG PHE A 46 -5.297 3.484 5.936 1.00 0.00 C ATOM 736 CD1 PHE A 46 -5.195 2.495 6.900 1.00 0.00 C ATOM 737 CD2 PHE A 46 -6.445 3.544 5.162 1.00 0.00 C ATOM 738 CE1 PHE A 46 -6.220 1.585 7.090 1.00 0.00 C ATOM 739 CE2 PHE A 46 -7.471 2.637 5.346 1.00 0.00 C ATOM 740 CZ PHE A 46 -7.358 1.656 6.311 1.00 0.00 C ATOM 0 H PHE A 46 -5.415 6.497 6.359 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.949 4.656 7.859 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -4.462 5.154 4.926 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.295 3.930 5.387 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -4.306 2.433 7.510 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -6.539 4.309 4.406 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -6.130 0.820 7.847 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -8.360 2.695 4.736 1.00 0.00 H new ATOM 0 HZ PHE A 46 -8.158 0.945 6.456 1.00 0.00 H new ATOM 750 N PRO A 47 -1.505 5.225 7.814 1.00 0.00 N ATOM 751 CA PRO A 47 -0.081 5.576 7.838 1.00 0.00 C ATOM 752 C PRO A 47 0.688 4.940 6.688 1.00 0.00 C ATOM 753 O PRO A 47 1.652 5.510 6.180 1.00 0.00 O ATOM 754 CB PRO A 47 0.401 5.008 9.174 1.00 0.00 C ATOM 755 CG PRO A 47 -0.526 3.879 9.459 1.00 0.00 C ATOM 756 CD PRO A 47 -1.858 4.282 8.890 1.00 0.00 C ATOM 0 HA PRO A 47 0.076 6.649 7.732 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.434 4.666 9.110 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.363 5.761 9.962 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -0.169 2.956 9.001 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.599 3.695 10.531 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -2.406 3.422 8.505 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.490 4.752 9.643 1.00 0.00 H new ATOM 764 N VAL A 48 0.258 3.751 6.283 1.00 0.00 N ATOM 765 CA VAL A 48 0.909 3.038 5.194 1.00 0.00 C ATOM 766 C VAL A 48 -0.099 2.602 4.139 1.00 0.00 C ATOM 767 O VAL A 48 -1.203 2.167 4.463 1.00 0.00 O ATOM 768 CB VAL A 48 1.667 1.804 5.712 1.00 0.00 C ATOM 769 CG1 VAL A 48 2.598 1.256 4.641 1.00 0.00 C ATOM 770 CG2 VAL A 48 2.436 2.156 6.974 1.00 0.00 C ATOM 0 H VAL A 48 -0.538 3.262 6.693 1.00 0.00 H new ATOM 0 HA VAL A 48 1.620 3.729 4.741 1.00 0.00 H new ATOM 0 HB VAL A 48 0.944 1.025 5.955 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.124 0.384 5.028 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.016 0.970 3.765 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.322 2.022 4.361 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.969 1.276 7.333 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.151 2.949 6.755 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.740 2.496 7.741 1.00 0.00 H new ATOM 780 N ILE A 49 0.287 2.727 2.876 1.00 0.00 N ATOM 781 CA ILE A 49 -0.584 2.351 1.765 1.00 0.00 C ATOM 782 C ILE A 49 0.199 1.650 0.660 1.00 0.00 C ATOM 783 O ILE A 49 0.969 2.287 -0.062 1.00 0.00 O ATOM 784 CB ILE A 49 -1.287 3.579 1.142 1.00 0.00 C ATOM 785 CG1 ILE A 49 -1.588 4.649 2.202 1.00 0.00 C ATOM 786 CG2 ILE A 49 -2.560 3.151 0.425 1.00 0.00 C ATOM 787 CD1 ILE A 49 -2.844 4.385 3.005 1.00 0.00 C ATOM 0 H ILE A 49 1.199 3.086 2.593 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.331 1.676 2.184 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.610 4.023 0.412 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.741 4.718 2.884 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.681 5.617 1.710 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.045 4.026 -0.009 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.312 2.444 -0.366 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.236 2.677 1.136 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.986 5.185 3.731 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.703 4.346 2.335 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.748 3.433 3.528 1.00 0.00 H new ATOM 799 N VAL A 50 0.002 0.342 0.510 1.00 0.00 N ATOM 800 CA VAL A 50 0.691 -0.415 -0.525 1.00 0.00 C ATOM 801 C VAL A 50 -0.270 -0.754 -1.662 1.00 0.00 C ATOM 802 O VAL A 50 -1.390 -1.206 -1.426 1.00 0.00 O ATOM 803 CB VAL A 50 1.286 -1.721 0.037 1.00 0.00 C ATOM 804 CG1 VAL A 50 2.052 -2.473 -1.041 1.00 0.00 C ATOM 805 CG2 VAL A 50 2.182 -1.427 1.232 1.00 0.00 C ATOM 0 H VAL A 50 -0.627 -0.211 1.091 1.00 0.00 H new ATOM 0 HA VAL A 50 1.503 0.208 -0.900 1.00 0.00 H new ATOM 0 HB VAL A 50 0.466 -2.356 0.372 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.463 -3.391 -0.622 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.378 -2.719 -1.862 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.864 -1.849 -1.413 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.594 -2.360 1.616 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.996 -0.771 0.924 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.599 -0.939 2.013 1.00 0.00 H new ATOM 815 N LEU A 51 0.176 -0.539 -2.893 1.00 0.00 N ATOM 816 CA LEU A 51 -0.645 -0.826 -4.062 1.00 0.00 C ATOM 817 C LEU A 51 -0.217 -2.138 -4.711 1.00 0.00 C ATOM 818 O LEU A 51 0.974 -2.406 -4.863 1.00 0.00 O ATOM 819 CB LEU A 51 -0.553 0.320 -5.071 1.00 0.00 C ATOM 820 CG LEU A 51 -1.189 0.044 -6.436 1.00 0.00 C ATOM 821 CD1 LEU A 51 -2.705 -0.002 -6.319 1.00 0.00 C ATOM 822 CD2 LEU A 51 -0.763 1.101 -7.443 1.00 0.00 C ATOM 0 H LEU A 51 1.101 -0.167 -3.108 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.681 -0.924 -3.738 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.028 1.201 -4.639 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.498 0.566 -5.222 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.843 -0.928 -6.788 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.140 -0.199 -7.299 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.993 -0.795 -5.628 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.070 0.955 -5.946 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.224 0.891 -8.408 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.081 2.084 -7.096 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.322 1.087 -7.548 1.00 0.00 H new ATOM 834 N ASP A 52 -1.195 -2.951 -5.088 1.00 0.00 N ATOM 835 CA ASP A 52 -0.922 -4.236 -5.717 1.00 0.00 C ATOM 836 C ASP A 52 -1.473 -4.277 -7.140 1.00 0.00 C ATOM 837 O ASP A 52 -2.555 -4.812 -7.382 1.00 0.00 O ATOM 838 CB ASP A 52 -1.527 -5.372 -4.889 1.00 0.00 C ATOM 839 CG ASP A 52 -0.596 -6.562 -4.772 1.00 0.00 C ATOM 840 OD1 ASP A 52 0.448 -6.436 -4.100 1.00 0.00 O ATOM 841 OD2 ASP A 52 -0.912 -7.622 -5.355 1.00 0.00 O ATOM 0 H ASP A 52 -2.186 -2.743 -4.969 1.00 0.00 H new ATOM 0 HA ASP A 52 0.159 -4.366 -5.764 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.767 -5.003 -3.892 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.464 -5.691 -5.345 1.00 0.00 H new ATOM 846 N VAL A 53 -0.722 -3.705 -8.074 1.00 0.00 N ATOM 847 CA VAL A 53 -1.130 -3.673 -9.474 1.00 0.00 C ATOM 848 C VAL A 53 -1.291 -5.085 -10.038 1.00 0.00 C ATOM 849 O VAL A 53 -0.406 -5.594 -10.725 1.00 0.00 O ATOM 850 CB VAL A 53 -0.114 -2.891 -10.339 1.00 0.00 C ATOM 851 CG1 VAL A 53 1.299 -3.408 -10.121 1.00 0.00 C ATOM 852 CG2 VAL A 53 -0.488 -2.966 -11.812 1.00 0.00 C ATOM 0 H VAL A 53 0.175 -3.256 -7.887 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.093 -3.164 -9.511 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.145 -1.846 -10.029 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.994 -2.841 -10.741 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.571 -3.292 -9.072 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.347 -4.462 -10.394 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.240 -2.409 -12.401 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.494 -4.008 -12.133 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.479 -2.535 -11.958 1.00 0.00 H new ATOM 862 N TRP A 54 -2.431 -5.711 -9.750 1.00 0.00 N ATOM 863 CA TRP A 54 -2.708 -7.059 -10.238 1.00 0.00 C ATOM 864 C TRP A 54 -3.291 -7.004 -11.648 1.00 0.00 C ATOM 865 O TRP A 54 -2.587 -7.242 -12.630 1.00 0.00 O ATOM 866 CB TRP A 54 -3.673 -7.779 -9.289 1.00 0.00 C ATOM 867 CG TRP A 54 -4.170 -9.092 -9.817 1.00 0.00 C ATOM 868 CD1 TRP A 54 -5.462 -9.534 -9.824 1.00 0.00 C ATOM 869 CD2 TRP A 54 -3.386 -10.133 -10.413 1.00 0.00 C ATOM 870 NE1 TRP A 54 -5.529 -10.784 -10.390 1.00 0.00 N ATOM 871 CE2 TRP A 54 -4.268 -11.174 -10.759 1.00 0.00 C ATOM 872 CE3 TRP A 54 -2.023 -10.285 -10.689 1.00 0.00 C ATOM 873 CZ2 TRP A 54 -3.833 -12.349 -11.367 1.00 0.00 C ATOM 874 CZ3 TRP A 54 -1.593 -11.453 -11.292 1.00 0.00 C ATOM 875 CH2 TRP A 54 -2.494 -12.471 -11.624 1.00 0.00 C ATOM 0 H TRP A 54 -3.176 -5.307 -9.182 1.00 0.00 H new ATOM 0 HA TRP A 54 -1.772 -7.617 -10.272 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -3.173 -7.947 -8.335 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -4.526 -7.130 -9.092 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -6.307 -8.982 -9.441 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -6.380 -11.333 -10.515 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -1.320 -9.505 -10.436 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -4.527 -13.135 -11.626 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.543 -11.582 -11.511 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.125 -13.371 -12.093 1.00 0.00 H new ATOM 886 N MET A 55 -4.576 -6.677 -11.739 1.00 0.00 N ATOM 887 CA MET A 55 -5.248 -6.577 -13.028 1.00 0.00 C ATOM 888 C MET A 55 -6.322 -5.486 -13.007 1.00 0.00 C ATOM 889 O MET A 55 -7.465 -5.725 -13.398 1.00 0.00 O ATOM 890 CB MET A 55 -5.875 -7.924 -13.401 1.00 0.00 C ATOM 891 CG MET A 55 -4.939 -8.836 -14.179 1.00 0.00 C ATOM 892 SD MET A 55 -5.335 -8.905 -15.937 1.00 0.00 S ATOM 893 CE MET A 55 -3.804 -8.313 -16.651 1.00 0.00 C ATOM 0 H MET A 55 -5.172 -6.477 -10.936 1.00 0.00 H new ATOM 0 HA MET A 55 -4.504 -6.307 -13.778 1.00 0.00 H new ATOM 0 HB2 MET A 55 -6.191 -8.433 -12.490 1.00 0.00 H new ATOM 0 HB3 MET A 55 -6.772 -7.746 -13.994 1.00 0.00 H new ATOM 0 HG2 MET A 55 -3.914 -8.488 -14.055 1.00 0.00 H new ATOM 0 HG3 MET A 55 -4.987 -9.841 -13.760 1.00 0.00 H new ATOM 0 HE1 MET A 55 -3.891 -8.298 -17.737 1.00 0.00 H new ATOM 0 HE2 MET A 55 -3.600 -7.305 -16.289 1.00 0.00 H new ATOM 0 HE3 MET A 55 -2.988 -8.975 -16.362 1.00 0.00 H new ATOM 903 N PRO A 56 -5.974 -4.267 -12.549 1.00 0.00 N ATOM 904 CA PRO A 56 -6.901 -3.150 -12.478 1.00 0.00 C ATOM 905 C PRO A 56 -6.853 -2.281 -13.731 1.00 0.00 C ATOM 906 O PRO A 56 -6.407 -2.727 -14.789 1.00 0.00 O ATOM 907 CB PRO A 56 -6.398 -2.366 -11.257 1.00 0.00 C ATOM 908 CG PRO A 56 -5.004 -2.859 -10.983 1.00 0.00 C ATOM 909 CD PRO A 56 -4.657 -3.859 -12.057 1.00 0.00 C ATOM 0 HA PRO A 56 -7.939 -3.474 -12.400 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -6.399 -1.294 -11.456 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -7.045 -2.531 -10.396 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.296 -2.030 -10.988 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.947 -3.320 -9.997 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.050 -3.414 -12.845 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.093 -4.703 -11.659 1.00 0.00 H new ATOM 917 N ASP A 57 -7.311 -1.040 -13.607 1.00 0.00 N ATOM 918 CA ASP A 57 -7.316 -0.111 -14.731 1.00 0.00 C ATOM 919 C ASP A 57 -7.252 1.335 -14.246 1.00 0.00 C ATOM 920 O ASP A 57 -8.174 2.120 -14.472 1.00 0.00 O ATOM 921 CB ASP A 57 -8.566 -0.322 -15.586 1.00 0.00 C ATOM 922 CG ASP A 57 -8.541 0.500 -16.860 1.00 0.00 C ATOM 923 OD1 ASP A 57 -7.676 0.234 -17.720 1.00 0.00 O ATOM 924 OD2 ASP A 57 -9.385 1.409 -16.996 1.00 0.00 O ATOM 0 H ASP A 57 -7.684 -0.654 -12.739 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.432 -0.308 -15.337 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -8.655 -1.378 -15.840 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -9.449 -0.059 -15.004 1.00 0.00 H new ATOM 929 N GLY A 58 -6.156 1.683 -13.577 1.00 0.00 N ATOM 930 CA GLY A 58 -5.992 3.033 -13.071 1.00 0.00 C ATOM 931 C GLY A 58 -4.539 3.464 -13.025 1.00 0.00 C ATOM 932 O GLY A 58 -3.636 2.629 -13.084 1.00 0.00 O ATOM 0 H GLY A 58 -5.379 1.053 -13.377 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.553 3.724 -13.701 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.418 3.096 -12.070 1.00 0.00 H new ATOM 936 N ASP A 59 -4.313 4.770 -12.920 1.00 0.00 N ATOM 937 CA ASP A 59 -2.958 5.310 -12.865 1.00 0.00 C ATOM 938 C ASP A 59 -2.421 5.286 -11.437 1.00 0.00 C ATOM 939 O ASP A 59 -2.956 5.951 -10.551 1.00 0.00 O ATOM 940 CB ASP A 59 -2.933 6.740 -13.411 1.00 0.00 C ATOM 941 CG ASP A 59 -2.277 6.827 -14.776 1.00 0.00 C ATOM 942 OD1 ASP A 59 -1.272 6.118 -14.998 1.00 0.00 O ATOM 943 OD2 ASP A 59 -2.768 7.603 -15.623 1.00 0.00 O ATOM 0 H ASP A 59 -5.050 5.474 -12.871 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.317 4.683 -13.485 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.953 7.119 -13.476 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.398 7.383 -12.712 1.00 0.00 H new ATOM 948 N GLY A 60 -1.361 4.514 -11.223 1.00 0.00 N ATOM 949 CA GLY A 60 -0.771 4.418 -9.900 1.00 0.00 C ATOM 950 C GLY A 60 0.302 5.464 -9.662 1.00 0.00 C ATOM 951 O GLY A 60 0.554 5.854 -8.521 1.00 0.00 O ATOM 0 H GLY A 60 -0.900 3.954 -11.940 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.553 4.528 -9.149 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.341 3.425 -9.769 1.00 0.00 H new ATOM 955 N VAL A 61 0.935 5.920 -10.738 1.00 0.00 N ATOM 956 CA VAL A 61 1.983 6.921 -10.642 1.00 0.00 C ATOM 957 C VAL A 61 1.440 8.238 -10.092 1.00 0.00 C ATOM 958 O VAL A 61 2.085 8.894 -9.274 1.00 0.00 O ATOM 959 CB VAL A 61 2.627 7.177 -12.016 1.00 0.00 C ATOM 960 CG1 VAL A 61 3.757 8.178 -11.895 1.00 0.00 C ATOM 961 CG2 VAL A 61 3.126 5.875 -12.627 1.00 0.00 C ATOM 0 H VAL A 61 0.737 5.609 -11.689 1.00 0.00 H new ATOM 0 HA VAL A 61 2.737 6.532 -9.957 1.00 0.00 H new ATOM 0 HB VAL A 61 1.868 7.595 -12.678 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.200 8.347 -12.876 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.369 9.119 -11.506 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.516 7.790 -11.216 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.578 6.078 -13.598 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.869 5.425 -11.968 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.289 5.188 -12.753 1.00 0.00 H new ATOM 971 N ASN A 62 0.253 8.619 -10.550 1.00 0.00 N ATOM 972 CA ASN A 62 -0.377 9.858 -10.108 1.00 0.00 C ATOM 973 C ASN A 62 -0.956 9.712 -8.704 1.00 0.00 C ATOM 974 O ASN A 62 -1.078 10.693 -7.969 1.00 0.00 O ATOM 975 CB ASN A 62 -1.477 10.270 -11.089 1.00 0.00 C ATOM 976 CG ASN A 62 -1.298 11.687 -11.595 1.00 0.00 C ATOM 977 OD1 ASN A 62 -2.173 12.535 -11.423 1.00 0.00 O ATOM 978 ND2 ASN A 62 -0.159 11.950 -12.225 1.00 0.00 N ATOM 0 H ASN A 62 -0.293 8.087 -11.228 1.00 0.00 H new ATOM 0 HA ASN A 62 0.388 10.634 -10.081 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.482 9.583 -11.935 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.448 10.181 -10.601 1.00 0.00 H new ATOM 0 HD21 ASN A 62 0.018 12.886 -12.589 1.00 0.00 H new ATOM 0 HD22 ASN A 62 0.539 11.216 -12.345 1.00 0.00 H new ATOM 985 N PHE A 63 -1.313 8.486 -8.335 1.00 0.00 N ATOM 986 CA PHE A 63 -1.883 8.220 -7.019 1.00 0.00 C ATOM 987 C PHE A 63 -0.903 8.593 -5.911 1.00 0.00 C ATOM 988 O PHE A 63 -1.305 9.074 -4.852 1.00 0.00 O ATOM 989 CB PHE A 63 -2.273 6.745 -6.893 1.00 0.00 C ATOM 990 CG PHE A 63 -2.968 6.422 -5.601 1.00 0.00 C ATOM 991 CD1 PHE A 63 -3.965 7.249 -5.112 1.00 0.00 C ATOM 992 CD2 PHE A 63 -2.621 5.295 -4.873 1.00 0.00 C ATOM 993 CE1 PHE A 63 -4.605 6.960 -3.923 1.00 0.00 C ATOM 994 CE2 PHE A 63 -3.257 5.000 -3.682 1.00 0.00 C ATOM 995 CZ PHE A 63 -4.250 5.834 -3.207 1.00 0.00 C ATOM 0 H PHE A 63 -1.218 7.662 -8.928 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.776 8.836 -6.912 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -2.924 6.476 -7.725 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -1.377 6.131 -6.979 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.246 8.132 -5.668 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -1.845 4.640 -5.240 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -5.382 7.613 -3.554 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.978 4.119 -3.124 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.748 5.606 -2.276 1.00 0.00 H new ATOM 1005 N ILE A 64 0.385 8.368 -6.161 1.00 0.00 N ATOM 1006 CA ILE A 64 1.428 8.679 -5.185 1.00 0.00 C ATOM 1007 C ILE A 64 1.223 10.065 -4.573 1.00 0.00 C ATOM 1008 O ILE A 64 1.592 10.307 -3.425 1.00 0.00 O ATOM 1009 CB ILE A 64 2.831 8.595 -5.830 1.00 0.00 C ATOM 1010 CG1 ILE A 64 3.193 7.134 -6.120 1.00 0.00 C ATOM 1011 CG2 ILE A 64 3.886 9.236 -4.936 1.00 0.00 C ATOM 1012 CD1 ILE A 64 3.346 6.832 -7.594 1.00 0.00 C ATOM 0 H ILE A 64 0.733 7.970 -7.034 1.00 0.00 H new ATOM 0 HA ILE A 64 1.359 7.936 -4.390 1.00 0.00 H new ATOM 0 HB ILE A 64 2.807 9.147 -6.770 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.124 6.890 -5.609 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.421 6.487 -5.703 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.862 9.162 -5.415 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.639 10.285 -4.776 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.913 8.719 -3.977 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.602 5.781 -7.725 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.408 7.044 -8.108 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.138 7.453 -8.012 1.00 0.00 H new ATOM 1024 N ASP A 65 0.631 10.970 -5.345 1.00 0.00 N ATOM 1025 CA ASP A 65 0.379 12.324 -4.872 1.00 0.00 C ATOM 1026 C ASP A 65 -0.846 12.361 -3.967 1.00 0.00 C ATOM 1027 O ASP A 65 -0.864 13.074 -2.963 1.00 0.00 O ATOM 1028 CB ASP A 65 0.186 13.277 -6.053 1.00 0.00 C ATOM 1029 CG ASP A 65 0.258 14.734 -5.639 1.00 0.00 C ATOM 1030 OD1 ASP A 65 -0.188 15.054 -4.518 1.00 0.00 O ATOM 1031 OD2 ASP A 65 0.761 15.553 -6.436 1.00 0.00 O ATOM 0 H ASP A 65 0.318 10.790 -6.299 1.00 0.00 H new ATOM 0 HA ASP A 65 1.246 12.648 -4.296 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.949 13.078 -6.805 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.780 13.082 -6.519 1.00 0.00 H new ATOM 1036 N PHE A 66 -1.866 11.586 -4.320 1.00 0.00 N ATOM 1037 CA PHE A 66 -3.087 11.532 -3.525 1.00 0.00 C ATOM 1038 C PHE A 66 -2.768 11.131 -2.090 1.00 0.00 C ATOM 1039 O PHE A 66 -3.314 11.694 -1.141 1.00 0.00 O ATOM 1040 CB PHE A 66 -4.083 10.545 -4.134 1.00 0.00 C ATOM 1041 CG PHE A 66 -5.376 10.459 -3.376 1.00 0.00 C ATOM 1042 CD1 PHE A 66 -5.439 9.793 -2.162 1.00 0.00 C ATOM 1043 CD2 PHE A 66 -6.527 11.048 -3.873 1.00 0.00 C ATOM 1044 CE1 PHE A 66 -6.626 9.715 -1.460 1.00 0.00 C ATOM 1045 CE2 PHE A 66 -7.718 10.974 -3.176 1.00 0.00 C ATOM 1046 CZ PHE A 66 -7.766 10.306 -1.966 1.00 0.00 C ATOM 0 H PHE A 66 -1.872 10.989 -5.147 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.537 12.525 -3.523 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.292 10.839 -5.162 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.626 9.556 -4.172 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.550 9.330 -1.760 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -6.493 11.572 -4.817 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.662 9.192 -0.516 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -8.609 11.436 -3.575 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.695 10.247 -1.418 1.00 0.00 H new ATOM 1056 N ILE A 67 -1.871 10.161 -1.940 1.00 0.00 N ATOM 1057 CA ILE A 67 -1.469 9.693 -0.622 1.00 0.00 C ATOM 1058 C ILE A 67 -0.882 10.842 0.194 1.00 0.00 C ATOM 1059 O ILE A 67 -1.231 11.030 1.360 1.00 0.00 O ATOM 1060 CB ILE A 67 -0.439 8.544 -0.722 1.00 0.00 C ATOM 1061 CG1 ILE A 67 -1.104 7.289 -1.291 1.00 0.00 C ATOM 1062 CG2 ILE A 67 0.176 8.244 0.641 1.00 0.00 C ATOM 1063 CD1 ILE A 67 -1.174 7.272 -2.802 1.00 0.00 C ATOM 0 H ILE A 67 -1.410 9.685 -2.716 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.359 9.312 -0.121 1.00 0.00 H new ATOM 0 HB ILE A 67 0.360 8.858 -1.394 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.554 6.411 -0.951 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.114 7.209 -0.888 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.897 7.432 0.544 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.680 9.134 1.017 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.609 7.951 1.338 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.657 6.353 -3.134 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.749 8.130 -3.149 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -0.166 7.320 -3.214 1.00 0.00 H new ATOM 1075 N LYS A 68 0.003 11.613 -0.427 1.00 0.00 N ATOM 1076 CA LYS A 68 0.623 12.747 0.246 1.00 0.00 C ATOM 1077 C LYS A 68 -0.357 13.910 0.355 1.00 0.00 C ATOM 1078 O LYS A 68 -0.239 14.755 1.243 1.00 0.00 O ATOM 1079 CB LYS A 68 1.881 13.189 -0.503 1.00 0.00 C ATOM 1080 CG LYS A 68 2.890 12.070 -0.711 1.00 0.00 C ATOM 1081 CD LYS A 68 3.896 12.008 0.427 1.00 0.00 C ATOM 1082 CE LYS A 68 4.966 10.960 0.168 1.00 0.00 C ATOM 1083 NZ LYS A 68 4.579 9.625 0.701 1.00 0.00 N ATOM 0 H LYS A 68 0.306 11.474 -1.391 1.00 0.00 H new ATOM 0 HA LYS A 68 0.904 12.434 1.252 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.593 13.592 -1.474 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.357 13.999 0.050 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.367 11.117 -0.788 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.415 12.223 -1.654 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.364 12.984 0.554 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.379 11.779 1.359 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.147 10.884 -0.904 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.902 11.276 0.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.116 8.885 0.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.789 9.583 1.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.561 9.473 0.551 1.00 0.00 H new ATOM 1097 N GLU A 69 -1.329 13.946 -0.553 1.00 0.00 N ATOM 1098 CA GLU A 69 -2.334 15.003 -0.557 1.00 0.00 C ATOM 1099 C GLU A 69 -3.176 14.955 0.711 1.00 0.00 C ATOM 1100 O GLU A 69 -3.458 15.986 1.321 1.00 0.00 O ATOM 1101 CB GLU A 69 -3.233 14.874 -1.786 1.00 0.00 C ATOM 1102 CG GLU A 69 -4.075 16.110 -2.056 1.00 0.00 C ATOM 1103 CD GLU A 69 -4.705 16.097 -3.435 1.00 0.00 C ATOM 1104 OE1 GLU A 69 -3.967 15.903 -4.423 1.00 0.00 O ATOM 1105 OE2 GLU A 69 -5.937 16.280 -3.527 1.00 0.00 O ATOM 0 H GLU A 69 -1.441 13.255 -1.295 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.818 15.962 -0.593 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.614 14.669 -2.659 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.893 14.017 -1.655 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.860 16.182 -1.303 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.452 16.999 -1.954 1.00 0.00 H new ATOM 1112 N ASN A 70 -3.577 13.750 1.102 1.00 0.00 N ATOM 1113 CA ASN A 70 -4.388 13.562 2.301 1.00 0.00 C ATOM 1114 C ASN A 70 -3.665 12.689 3.324 1.00 0.00 C ATOM 1115 O ASN A 70 -4.283 12.164 4.250 1.00 0.00 O ATOM 1116 CB ASN A 70 -5.735 12.930 1.939 1.00 0.00 C ATOM 1117 CG ASN A 70 -6.276 13.431 0.613 1.00 0.00 C ATOM 1118 OD1 ASN A 70 -7.224 14.214 0.571 1.00 0.00 O ATOM 1119 ND2 ASN A 70 -5.671 12.978 -0.480 1.00 0.00 N ATOM 0 H ASN A 70 -3.354 12.887 0.606 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.559 14.542 2.745 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.624 11.847 1.896 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.457 13.146 2.727 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.990 13.279 -1.401 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.888 12.329 -0.398 1.00 0.00 H new ATOM 1126 N SER A 71 -2.353 12.538 3.154 1.00 0.00 N ATOM 1127 CA SER A 71 -1.554 11.730 4.066 1.00 0.00 C ATOM 1128 C SER A 71 -0.063 11.978 3.842 1.00 0.00 C ATOM 1129 O SER A 71 0.655 11.107 3.351 1.00 0.00 O ATOM 1130 CB SER A 71 -1.878 10.246 3.881 1.00 0.00 C ATOM 1131 OG SER A 71 -2.635 9.750 4.972 1.00 0.00 O ATOM 0 H SER A 71 -1.824 12.965 2.394 1.00 0.00 H new ATOM 0 HA SER A 71 -1.801 12.019 5.088 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.434 10.105 2.954 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.953 9.677 3.788 1.00 0.00 H new ATOM 0 HG SER A 71 -3.418 10.323 5.114 1.00 0.00 H new ATOM 1137 N PRO A 72 0.422 13.178 4.201 1.00 0.00 N ATOM 1138 CA PRO A 72 1.832 13.543 4.040 1.00 0.00 C ATOM 1139 C PRO A 72 2.737 12.763 4.981 1.00 0.00 C ATOM 1140 O PRO A 72 3.945 12.662 4.766 1.00 0.00 O ATOM 1141 CB PRO A 72 1.872 15.041 4.379 1.00 0.00 C ATOM 1142 CG PRO A 72 0.447 15.483 4.425 1.00 0.00 C ATOM 1143 CD PRO A 72 -0.357 14.272 4.792 1.00 0.00 C ATOM 0 HA PRO A 72 2.193 13.318 3.036 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.366 15.213 5.335 1.00 0.00 H new ATOM 0 HB3 PRO A 72 2.431 15.598 3.627 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.310 16.278 5.158 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.132 15.881 3.461 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -0.454 14.162 5.872 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -1.367 14.317 4.384 1.00 0.00 H new ATOM 1151 N ASP A 73 2.136 12.215 6.022 1.00 0.00 N ATOM 1152 CA ASP A 73 2.868 11.436 7.011 1.00 0.00 C ATOM 1153 C ASP A 73 2.604 9.943 6.837 1.00 0.00 C ATOM 1154 O ASP A 73 2.669 9.175 7.797 1.00 0.00 O ATOM 1155 CB ASP A 73 2.479 11.873 8.423 1.00 0.00 C ATOM 1156 CG ASP A 73 3.460 11.387 9.472 1.00 0.00 C ATOM 1157 OD1 ASP A 73 4.277 10.497 9.157 1.00 0.00 O ATOM 1158 OD2 ASP A 73 3.412 11.899 10.611 1.00 0.00 O ATOM 0 H ASP A 73 1.136 12.295 6.207 1.00 0.00 H new ATOM 0 HA ASP A 73 3.933 11.616 6.861 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.421 12.961 8.460 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.484 11.493 8.656 1.00 0.00 H new ATOM 1163 N SER A 74 2.305 9.537 5.606 1.00 0.00 N ATOM 1164 CA SER A 74 2.031 8.136 5.311 1.00 0.00 C ATOM 1165 C SER A 74 3.137 7.536 4.447 1.00 0.00 C ATOM 1166 O SER A 74 4.098 8.220 4.095 1.00 0.00 O ATOM 1167 CB SER A 74 0.682 7.992 4.604 1.00 0.00 C ATOM 1168 OG SER A 74 0.413 6.636 4.291 1.00 0.00 O ATOM 0 H SER A 74 2.247 10.158 4.799 1.00 0.00 H new ATOM 0 HA SER A 74 1.996 7.594 6.256 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.110 8.386 5.241 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.681 8.587 3.690 1.00 0.00 H new ATOM 0 HG SER A 74 -0.429 6.364 4.711 1.00 0.00 H new ATOM 1174 N VAL A 75 2.999 6.256 4.110 1.00 0.00 N ATOM 1175 CA VAL A 75 3.993 5.575 3.291 1.00 0.00 C ATOM 1176 C VAL A 75 3.347 4.902 2.086 1.00 0.00 C ATOM 1177 O VAL A 75 2.221 4.417 2.164 1.00 0.00 O ATOM 1178 CB VAL A 75 4.760 4.513 4.104 1.00 0.00 C ATOM 1179 CG1 VAL A 75 5.820 3.838 3.242 1.00 0.00 C ATOM 1180 CG2 VAL A 75 5.387 5.140 5.340 1.00 0.00 C ATOM 0 H VAL A 75 2.211 5.673 4.391 1.00 0.00 H new ATOM 0 HA VAL A 75 4.693 6.337 2.948 1.00 0.00 H new ATOM 0 HB VAL A 75 4.053 3.750 4.429 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.350 3.092 3.834 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.342 3.353 2.391 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.527 4.586 2.883 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.924 4.377 5.902 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.081 5.924 5.038 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.605 5.569 5.967 1.00 0.00 H new ATOM 1190 N VAL A 76 4.072 4.872 0.976 1.00 0.00 N ATOM 1191 CA VAL A 76 3.577 4.249 -0.245 1.00 0.00 C ATOM 1192 C VAL A 76 4.567 3.203 -0.745 1.00 0.00 C ATOM 1193 O VAL A 76 5.723 3.514 -1.030 1.00 0.00 O ATOM 1194 CB VAL A 76 3.328 5.289 -1.355 1.00 0.00 C ATOM 1195 CG1 VAL A 76 2.456 4.700 -2.453 1.00 0.00 C ATOM 1196 CG2 VAL A 76 2.696 6.549 -0.778 1.00 0.00 C ATOM 0 H VAL A 76 5.007 5.272 0.896 1.00 0.00 H new ATOM 0 HA VAL A 76 2.627 3.771 -0.004 1.00 0.00 H new ATOM 0 HB VAL A 76 4.288 5.562 -1.793 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.291 5.449 -3.228 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.954 3.833 -2.887 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.497 4.396 -2.033 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.528 7.271 -1.577 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.744 6.297 -0.311 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.363 6.982 -0.032 1.00 0.00 H new ATOM 1206 N ILE A 77 4.115 1.958 -0.836 1.00 0.00 N ATOM 1207 CA ILE A 77 4.976 0.872 -1.290 1.00 0.00 C ATOM 1208 C ILE A 77 4.774 0.578 -2.774 1.00 0.00 C ATOM 1209 O ILE A 77 5.695 0.733 -3.575 1.00 0.00 O ATOM 1210 CB ILE A 77 4.731 -0.415 -0.474 1.00 0.00 C ATOM 1211 CG1 ILE A 77 5.005 -0.160 1.011 1.00 0.00 C ATOM 1212 CG2 ILE A 77 5.602 -1.556 -0.988 1.00 0.00 C ATOM 1213 CD1 ILE A 77 6.451 0.175 1.309 1.00 0.00 C ATOM 0 H ILE A 77 3.163 1.676 -0.603 1.00 0.00 H new ATOM 0 HA ILE A 77 6.004 1.201 -1.136 1.00 0.00 H new ATOM 0 HB ILE A 77 3.687 -0.704 -0.593 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.372 0.659 1.354 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.720 -1.044 1.582 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.412 -2.453 -0.398 1.00 0.00 H new ATOM 0 HG22 ILE A 77 5.364 -1.753 -2.033 1.00 0.00 H new ATOM 0 HG23 ILE A 77 6.653 -1.280 -0.900 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.572 0.343 2.379 1.00 0.00 H new ATOM 0 HD12 ILE A 77 7.088 -0.653 0.997 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.735 1.076 0.766 1.00 0.00 H new ATOM 1225 N VAL A 78 3.572 0.141 -3.135 1.00 0.00 N ATOM 1226 CA VAL A 78 3.270 -0.187 -4.524 1.00 0.00 C ATOM 1227 C VAL A 78 4.144 -1.348 -4.986 1.00 0.00 C ATOM 1228 O VAL A 78 5.369 -1.235 -5.022 1.00 0.00 O ATOM 1229 CB VAL A 78 3.486 1.024 -5.456 1.00 0.00 C ATOM 1230 CG1 VAL A 78 2.848 0.771 -6.813 1.00 0.00 C ATOM 1231 CG2 VAL A 78 2.927 2.291 -4.827 1.00 0.00 C ATOM 0 H VAL A 78 2.794 0.006 -2.489 1.00 0.00 H new ATOM 0 HA VAL A 78 2.219 -0.470 -4.576 1.00 0.00 H new ATOM 0 HB VAL A 78 4.558 1.160 -5.601 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.010 1.635 -7.458 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.299 -0.111 -7.268 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.778 0.608 -6.687 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.089 3.133 -5.500 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.858 2.168 -4.650 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.432 2.481 -3.880 1.00 0.00 H new ATOM 1241 N ILE A 79 3.515 -2.475 -5.305 1.00 0.00 N ATOM 1242 CA ILE A 79 4.257 -3.660 -5.724 1.00 0.00 C ATOM 1243 C ILE A 79 3.690 -4.226 -7.038 1.00 0.00 C ATOM 1244 O ILE A 79 3.237 -3.466 -7.893 1.00 0.00 O ATOM 1245 CB ILE A 79 4.224 -4.740 -4.612 1.00 0.00 C ATOM 1246 CG1 ILE A 79 4.086 -4.082 -3.237 1.00 0.00 C ATOM 1247 CG2 ILE A 79 5.497 -5.576 -4.647 1.00 0.00 C ATOM 1248 CD1 ILE A 79 3.854 -5.065 -2.111 1.00 0.00 C ATOM 0 H ILE A 79 2.502 -2.593 -5.282 1.00 0.00 H new ATOM 0 HA ILE A 79 5.293 -3.369 -5.898 1.00 0.00 H new ATOM 0 HB ILE A 79 3.365 -5.387 -4.789 1.00 0.00 H new ATOM 0 HG12 ILE A 79 4.989 -3.509 -3.026 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.258 -3.374 -3.265 1.00 0.00 H new ATOM 0 HG21 ILE A 79 5.459 -6.330 -3.861 1.00 0.00 H new ATOM 0 HG22 ILE A 79 5.583 -6.067 -5.616 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.361 -4.930 -4.489 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.766 -4.525 -1.168 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.935 -5.621 -2.297 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.693 -5.759 -2.055 1.00 0.00 H new ATOM 1260 N THR A 80 3.719 -5.553 -7.200 1.00 0.00 N ATOM 1261 CA THR A 80 3.210 -6.196 -8.410 1.00 0.00 C ATOM 1262 C THR A 80 3.805 -5.567 -9.666 1.00 0.00 C ATOM 1263 O THR A 80 4.611 -4.639 -9.590 1.00 0.00 O ATOM 1264 CB THR A 80 1.682 -6.123 -8.459 1.00 0.00 C ATOM 1265 OG1 THR A 80 1.189 -5.274 -7.439 1.00 0.00 O ATOM 1266 CG2 THR A 80 1.014 -7.470 -8.296 1.00 0.00 C ATOM 0 H THR A 80 4.091 -6.201 -6.506 1.00 0.00 H new ATOM 0 HA THR A 80 3.513 -7.243 -8.378 1.00 0.00 H new ATOM 0 HB THR A 80 1.442 -5.733 -9.448 1.00 0.00 H new ATOM 0 HG1 THR A 80 1.348 -5.687 -6.565 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.068 -7.347 -8.340 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.337 -8.135 -9.097 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.291 -7.900 -7.333 1.00 0.00 H new ATOM 1317 N VAL A 85 11.028 -3.317 -14.397 1.00 0.00 N ATOM 1318 CA VAL A 85 10.850 -2.498 -13.204 1.00 0.00 C ATOM 1319 C VAL A 85 10.925 -1.012 -13.544 1.00 0.00 C ATOM 1320 O VAL A 85 11.840 -0.309 -13.110 1.00 0.00 O ATOM 1321 CB VAL A 85 11.908 -2.826 -12.134 1.00 0.00 C ATOM 1322 CG1 VAL A 85 11.600 -2.100 -10.834 1.00 0.00 C ATOM 1323 CG2 VAL A 85 11.992 -4.329 -11.909 1.00 0.00 C ATOM 0 HA VAL A 85 9.862 -2.727 -12.805 1.00 0.00 H new ATOM 0 HB VAL A 85 12.878 -2.481 -12.492 1.00 0.00 H new ATOM 0 HG11 VAL A 85 12.359 -2.345 -10.091 1.00 0.00 H new ATOM 0 HG12 VAL A 85 11.598 -1.024 -11.010 1.00 0.00 H new ATOM 0 HG13 VAL A 85 10.621 -2.409 -10.468 1.00 0.00 H new ATOM 0 HG21 VAL A 85 12.745 -4.542 -11.150 1.00 0.00 H new ATOM 0 HG22 VAL A 85 11.024 -4.701 -11.575 1.00 0.00 H new ATOM 0 HG23 VAL A 85 12.268 -4.822 -12.841 1.00 0.00 H new ATOM 1333 N ASP A 86 9.958 -0.539 -14.322 1.00 0.00 N ATOM 1334 CA ASP A 86 9.915 0.862 -14.720 1.00 0.00 C ATOM 1335 C ASP A 86 8.924 1.641 -13.862 1.00 0.00 C ATOM 1336 O ASP A 86 9.242 2.715 -13.352 1.00 0.00 O ATOM 1337 CB ASP A 86 9.542 0.985 -16.198 1.00 0.00 C ATOM 1338 CG ASP A 86 9.545 2.423 -16.679 1.00 0.00 C ATOM 1339 OD1 ASP A 86 10.624 3.053 -16.659 1.00 0.00 O ATOM 1340 OD2 ASP A 86 8.471 2.919 -17.080 1.00 0.00 O ATOM 0 H ASP A 86 9.194 -1.106 -14.689 1.00 0.00 H new ATOM 0 HA ASP A 86 10.907 1.287 -14.570 1.00 0.00 H new ATOM 0 HB2 ASP A 86 10.244 0.404 -16.796 1.00 0.00 H new ATOM 0 HB3 ASP A 86 8.554 0.554 -16.357 1.00 0.00 H new ATOM 1345 N THR A 87 7.720 1.095 -13.698 1.00 0.00 N ATOM 1346 CA THR A 87 6.697 1.750 -12.890 1.00 0.00 C ATOM 1347 C THR A 87 7.224 2.023 -11.488 1.00 0.00 C ATOM 1348 O THR A 87 6.853 3.010 -10.853 1.00 0.00 O ATOM 1349 CB THR A 87 5.422 0.897 -12.832 1.00 0.00 C ATOM 1350 OG1 THR A 87 4.306 1.692 -12.479 1.00 0.00 O ATOM 1351 CG2 THR A 87 5.496 -0.251 -11.842 1.00 0.00 C ATOM 0 H THR A 87 7.432 0.208 -14.111 1.00 0.00 H new ATOM 0 HA THR A 87 6.447 2.702 -13.357 1.00 0.00 H new ATOM 0 HB THR A 87 5.317 0.479 -13.833 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.502 1.132 -12.448 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.558 -0.807 -11.859 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.316 -0.915 -12.115 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.667 0.143 -10.840 1.00 0.00 H new ATOM 1359 N ALA A 88 8.108 1.148 -11.020 1.00 0.00 N ATOM 1360 CA ALA A 88 8.705 1.301 -9.703 1.00 0.00 C ATOM 1361 C ALA A 88 9.476 2.609 -9.627 1.00 0.00 C ATOM 1362 O ALA A 88 9.170 3.480 -8.813 1.00 0.00 O ATOM 1363 CB ALA A 88 9.622 0.128 -9.400 1.00 0.00 C ATOM 0 H ALA A 88 8.425 0.327 -11.535 1.00 0.00 H new ATOM 0 HA ALA A 88 7.910 1.320 -8.958 1.00 0.00 H new ATOM 0 HB1 ALA A 88 10.062 0.256 -8.411 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.048 -0.798 -9.425 1.00 0.00 H new ATOM 0 HB3 ALA A 88 10.415 0.084 -10.147 1.00 0.00 H new ATOM 1369 N VAL A 89 10.470 2.741 -10.494 1.00 0.00 N ATOM 1370 CA VAL A 89 11.284 3.946 -10.544 1.00 0.00 C ATOM 1371 C VAL A 89 10.419 5.178 -10.804 1.00 0.00 C ATOM 1372 O VAL A 89 10.790 6.296 -10.449 1.00 0.00 O ATOM 1373 CB VAL A 89 12.369 3.847 -11.636 1.00 0.00 C ATOM 1374 CG1 VAL A 89 13.285 2.664 -11.366 1.00 0.00 C ATOM 1375 CG2 VAL A 89 11.742 3.732 -13.019 1.00 0.00 C ATOM 0 H VAL A 89 10.732 2.027 -11.173 1.00 0.00 H new ATOM 0 HA VAL A 89 11.770 4.045 -9.573 1.00 0.00 H new ATOM 0 HB VAL A 89 12.962 4.761 -11.610 1.00 0.00 H new ATOM 0 HG11 VAL A 89 14.045 2.607 -12.145 1.00 0.00 H new ATOM 0 HG12 VAL A 89 13.767 2.791 -10.397 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.700 1.744 -11.362 1.00 0.00 H new ATOM 0 HG21 VAL A 89 12.529 3.664 -13.771 1.00 0.00 H new ATOM 0 HG22 VAL A 89 11.119 2.838 -13.063 1.00 0.00 H new ATOM 0 HG23 VAL A 89 11.129 4.612 -13.215 1.00 0.00 H new ATOM 1385 N LYS A 90 9.261 4.960 -11.428 1.00 0.00 N ATOM 1386 CA LYS A 90 8.341 6.048 -11.738 1.00 0.00 C ATOM 1387 C LYS A 90 7.461 6.392 -10.535 1.00 0.00 C ATOM 1388 O LYS A 90 6.763 7.405 -10.540 1.00 0.00 O ATOM 1389 CB LYS A 90 7.465 5.665 -12.934 1.00 0.00 C ATOM 1390 CG LYS A 90 6.405 6.700 -13.275 1.00 0.00 C ATOM 1391 CD LYS A 90 5.726 6.391 -14.598 1.00 0.00 C ATOM 1392 CE LYS A 90 6.524 6.928 -15.775 1.00 0.00 C ATOM 1393 NZ LYS A 90 6.462 6.017 -16.952 1.00 0.00 N ATOM 0 H LYS A 90 8.940 4.039 -11.728 1.00 0.00 H new ATOM 0 HA LYS A 90 8.931 6.930 -11.987 1.00 0.00 H new ATOM 0 HB2 LYS A 90 8.102 5.511 -13.805 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.976 4.714 -12.724 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.659 6.732 -12.481 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.863 7.688 -13.322 1.00 0.00 H new ATOM 0 HD2 LYS A 90 5.604 5.313 -14.702 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.727 6.827 -14.606 1.00 0.00 H new ATOM 0 HE2 LYS A 90 6.141 7.909 -16.055 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.563 7.065 -15.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.019 6.420 -17.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 6.851 5.088 -16.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.473 5.906 -17.254 1.00 0.00 H new ATOM 1407 N ALA A 91 7.492 5.544 -9.509 1.00 0.00 N ATOM 1408 CA ALA A 91 6.689 5.770 -8.313 1.00 0.00 C ATOM 1409 C ALA A 91 7.560 6.111 -7.108 1.00 0.00 C ATOM 1410 O ALA A 91 7.188 6.941 -6.279 1.00 0.00 O ATOM 1411 CB ALA A 91 5.834 4.547 -8.015 1.00 0.00 C ATOM 0 H ALA A 91 8.062 4.699 -9.483 1.00 0.00 H new ATOM 0 HA ALA A 91 6.039 6.624 -8.505 1.00 0.00 H new ATOM 0 HB1 ALA A 91 5.239 4.728 -7.120 1.00 0.00 H new ATOM 0 HB2 ALA A 91 5.171 4.352 -8.858 1.00 0.00 H new ATOM 0 HB3 ALA A 91 6.479 3.683 -7.853 1.00 0.00 H new ATOM 1417 N ILE A 92 8.719 5.466 -7.011 1.00 0.00 N ATOM 1418 CA ILE A 92 9.631 5.707 -5.899 1.00 0.00 C ATOM 1419 C ILE A 92 10.300 7.074 -6.021 1.00 0.00 C ATOM 1420 O ILE A 92 10.338 7.659 -7.103 1.00 0.00 O ATOM 1421 CB ILE A 92 10.709 4.607 -5.795 1.00 0.00 C ATOM 1422 CG1 ILE A 92 11.749 4.748 -6.911 1.00 0.00 C ATOM 1423 CG2 ILE A 92 10.061 3.232 -5.850 1.00 0.00 C ATOM 1424 CD1 ILE A 92 12.840 3.699 -6.852 1.00 0.00 C ATOM 0 H ILE A 92 9.047 4.775 -7.686 1.00 0.00 H new ATOM 0 HA ILE A 92 9.031 5.686 -4.989 1.00 0.00 H new ATOM 0 HB ILE A 92 11.221 4.721 -4.839 1.00 0.00 H new ATOM 0 HG12 ILE A 92 11.246 4.685 -7.876 1.00 0.00 H new ATOM 0 HG13 ILE A 92 12.203 5.737 -6.852 1.00 0.00 H new ATOM 0 HG21 ILE A 92 10.831 2.464 -5.776 1.00 0.00 H new ATOM 0 HG22 ILE A 92 9.361 3.126 -5.021 1.00 0.00 H new ATOM 0 HG23 ILE A 92 9.526 3.119 -6.793 1.00 0.00 H new ATOM 0 HD11 ILE A 92 13.542 3.858 -7.671 1.00 0.00 H new ATOM 0 HD12 ILE A 92 13.368 3.776 -5.901 1.00 0.00 H new ATOM 0 HD13 ILE A 92 12.396 2.707 -6.942 1.00 0.00 H new ATOM 1436 N LYS A 93 10.808 7.579 -4.898 1.00 0.00 N ATOM 1437 CA LYS A 93 11.466 8.888 -4.850 1.00 0.00 C ATOM 1438 C LYS A 93 10.431 10.006 -4.778 1.00 0.00 C ATOM 1439 O LYS A 93 10.543 10.915 -3.957 1.00 0.00 O ATOM 1440 CB LYS A 93 12.382 9.095 -6.062 1.00 0.00 C ATOM 1441 CG LYS A 93 13.315 7.922 -6.322 1.00 0.00 C ATOM 1442 CD LYS A 93 14.753 8.262 -5.965 1.00 0.00 C ATOM 1443 CE LYS A 93 15.471 8.930 -7.125 1.00 0.00 C ATOM 1444 NZ LYS A 93 16.950 8.875 -6.969 1.00 0.00 N ATOM 0 H LYS A 93 10.777 7.097 -3.999 1.00 0.00 H new ATOM 0 HA LYS A 93 12.081 8.917 -3.950 1.00 0.00 H new ATOM 0 HB2 LYS A 93 11.769 9.265 -6.947 1.00 0.00 H new ATOM 0 HB3 LYS A 93 12.977 9.996 -5.909 1.00 0.00 H new ATOM 0 HG2 LYS A 93 12.989 7.061 -5.739 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.258 7.637 -7.372 1.00 0.00 H new ATOM 0 HD2 LYS A 93 14.767 8.922 -5.098 1.00 0.00 H new ATOM 0 HD3 LYS A 93 15.284 7.353 -5.682 1.00 0.00 H new ATOM 0 HE2 LYS A 93 15.186 8.442 -8.057 1.00 0.00 H new ATOM 0 HE3 LYS A 93 15.152 9.970 -7.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 17.402 9.342 -7.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 17.225 9.362 -6.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 17.258 7.883 -6.924 1.00 0.00 H new ATOM 1458 N LYS A 94 9.419 9.927 -5.636 1.00 0.00 N ATOM 1459 CA LYS A 94 8.361 10.925 -5.662 1.00 0.00 C ATOM 1460 C LYS A 94 7.432 10.759 -4.465 1.00 0.00 C ATOM 1461 O LYS A 94 6.800 11.718 -4.021 1.00 0.00 O ATOM 1462 CB LYS A 94 7.562 10.819 -6.959 1.00 0.00 C ATOM 1463 CG LYS A 94 6.734 12.056 -7.266 1.00 0.00 C ATOM 1464 CD LYS A 94 7.615 13.232 -7.655 1.00 0.00 C ATOM 1465 CE LYS A 94 7.812 14.188 -6.488 1.00 0.00 C ATOM 1466 NZ LYS A 94 7.994 15.594 -6.946 1.00 0.00 N ATOM 0 H LYS A 94 9.311 9.180 -6.322 1.00 0.00 H new ATOM 0 HA LYS A 94 8.823 11.911 -5.609 1.00 0.00 H new ATOM 0 HB2 LYS A 94 8.249 10.638 -7.785 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.900 9.955 -6.899 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.038 11.838 -8.076 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.136 12.321 -6.394 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.584 12.866 -7.995 1.00 0.00 H new ATOM 0 HD3 LYS A 94 7.164 13.765 -8.492 1.00 0.00 H new ATOM 0 HE2 LYS A 94 6.950 14.132 -5.823 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.682 13.879 -5.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 8.125 16.214 -6.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 8.831 15.653 -7.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 7.153 15.898 -7.477 1.00 0.00 H new ATOM 1480 N GLY A 95 7.352 9.536 -3.945 1.00 0.00 N ATOM 1481 CA GLY A 95 6.496 9.277 -2.803 1.00 0.00 C ATOM 1482 C GLY A 95 6.611 7.857 -2.278 1.00 0.00 C ATOM 1483 O GLY A 95 6.485 7.630 -1.075 1.00 0.00 O ATOM 0 H GLY A 95 7.863 8.725 -4.293 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.747 9.974 -2.004 1.00 0.00 H new ATOM 0 HA3 GLY A 95 5.460 9.471 -3.082 1.00 0.00 H new ATOM 1487 N ALA A 96 6.850 6.896 -3.169 1.00 0.00 N ATOM 1488 CA ALA A 96 6.973 5.507 -2.757 1.00 0.00 C ATOM 1489 C ALA A 96 8.160 5.327 -1.824 1.00 0.00 C ATOM 1490 O ALA A 96 8.905 6.271 -1.561 1.00 0.00 O ATOM 1491 CB ALA A 96 7.095 4.590 -3.968 1.00 0.00 C ATOM 0 H ALA A 96 6.961 7.055 -4.170 1.00 0.00 H new ATOM 0 HA ALA A 96 6.068 5.233 -2.215 1.00 0.00 H new ATOM 0 HB1 ALA A 96 7.186 3.556 -3.634 1.00 0.00 H new ATOM 0 HB2 ALA A 96 6.208 4.693 -4.593 1.00 0.00 H new ATOM 0 HB3 ALA A 96 7.979 4.864 -4.544 1.00 0.00 H new ATOM 1497 N TYR A 97 8.328 4.114 -1.319 1.00 0.00 N ATOM 1498 CA TYR A 97 9.423 3.817 -0.407 1.00 0.00 C ATOM 1499 C TYR A 97 10.573 3.112 -1.134 1.00 0.00 C ATOM 1500 O TYR A 97 11.648 2.940 -0.563 1.00 0.00 O ATOM 1501 CB TYR A 97 8.906 2.973 0.770 1.00 0.00 C ATOM 1502 CG TYR A 97 9.928 2.030 1.372 1.00 0.00 C ATOM 1503 CD1 TYR A 97 10.751 2.439 2.413 1.00 0.00 C ATOM 1504 CD2 TYR A 97 10.065 0.731 0.899 1.00 0.00 C ATOM 1505 CE1 TYR A 97 11.682 1.581 2.967 1.00 0.00 C ATOM 1506 CE2 TYR A 97 10.994 -0.133 1.446 1.00 0.00 C ATOM 1507 CZ TYR A 97 11.800 0.297 2.479 1.00 0.00 C ATOM 1508 OH TYR A 97 12.727 -0.562 3.028 1.00 0.00 O ATOM 0 H TYR A 97 7.721 3.320 -1.525 1.00 0.00 H new ATOM 0 HA TYR A 97 9.817 4.755 -0.016 1.00 0.00 H new ATOM 0 HB2 TYR A 97 8.547 3.644 1.550 1.00 0.00 H new ATOM 0 HB3 TYR A 97 8.049 2.390 0.432 1.00 0.00 H new ATOM 0 HD1 TYR A 97 10.662 3.445 2.796 1.00 0.00 H new ATOM 0 HD2 TYR A 97 9.435 0.391 0.090 1.00 0.00 H new ATOM 0 HE1 TYR A 97 12.313 1.914 3.777 1.00 0.00 H new ATOM 0 HE2 TYR A 97 11.088 -1.140 1.067 1.00 0.00 H new ATOM 0 HH TYR A 97 12.681 -1.428 2.571 1.00 0.00 H new ATOM 1518 N GLU A 98 10.333 2.732 -2.398 1.00 0.00 N ATOM 1519 CA GLU A 98 11.334 2.056 -3.248 1.00 0.00 C ATOM 1520 C GLU A 98 10.697 0.951 -4.090 1.00 0.00 C ATOM 1521 O GLU A 98 11.333 0.420 -5.000 1.00 0.00 O ATOM 1522 CB GLU A 98 12.485 1.448 -2.435 1.00 0.00 C ATOM 1523 CG GLU A 98 12.031 0.459 -1.372 1.00 0.00 C ATOM 1524 CD GLU A 98 12.598 -0.932 -1.585 1.00 0.00 C ATOM 1525 OE1 GLU A 98 12.295 -1.543 -2.630 1.00 0.00 O ATOM 1526 OE2 GLU A 98 13.345 -1.409 -0.705 1.00 0.00 O ATOM 0 H GLU A 98 9.438 2.884 -2.864 1.00 0.00 H new ATOM 0 HA GLU A 98 11.738 2.832 -3.898 1.00 0.00 H new ATOM 0 HB2 GLU A 98 13.172 0.945 -3.116 1.00 0.00 H new ATOM 0 HB3 GLU A 98 13.043 2.252 -1.955 1.00 0.00 H new ATOM 0 HG2 GLU A 98 12.333 0.823 -0.390 1.00 0.00 H new ATOM 0 HG3 GLU A 98 10.942 0.407 -1.372 1.00 0.00 H new ATOM 1533 N PHE A 99 9.446 0.603 -3.785 1.00 0.00 N ATOM 1534 CA PHE A 99 8.740 -0.445 -4.522 1.00 0.00 C ATOM 1535 C PHE A 99 9.204 -1.830 -4.079 1.00 0.00 C ATOM 1536 O PHE A 99 10.382 -2.168 -4.193 1.00 0.00 O ATOM 1537 CB PHE A 99 8.959 -0.287 -6.031 1.00 0.00 C ATOM 1538 CG PHE A 99 7.708 -0.428 -6.848 1.00 0.00 C ATOM 1539 CD1 PHE A 99 6.822 0.629 -6.970 1.00 0.00 C ATOM 1540 CD2 PHE A 99 7.426 -1.616 -7.505 1.00 0.00 C ATOM 1541 CE1 PHE A 99 5.675 0.505 -7.731 1.00 0.00 C ATOM 1542 CE2 PHE A 99 6.279 -1.746 -8.266 1.00 0.00 C ATOM 1543 CZ PHE A 99 5.404 -0.685 -8.381 1.00 0.00 C ATOM 0 H PHE A 99 8.903 1.030 -3.035 1.00 0.00 H new ATOM 0 HA PHE A 99 7.677 -0.344 -4.304 1.00 0.00 H new ATOM 0 HB2 PHE A 99 9.398 0.692 -6.223 1.00 0.00 H new ATOM 0 HB3 PHE A 99 9.683 -1.031 -6.363 1.00 0.00 H new ATOM 0 HD1 PHE A 99 7.030 1.561 -6.465 1.00 0.00 H new ATOM 0 HD2 PHE A 99 8.109 -2.448 -7.421 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.991 1.336 -7.818 1.00 0.00 H new ATOM 0 HE2 PHE A 99 6.068 -2.677 -8.770 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.509 -0.784 -8.978 1.00 0.00 H new ATOM 1553 N LEU A 100 8.268 -2.628 -3.577 1.00 0.00 N ATOM 1554 CA LEU A 100 8.576 -3.978 -3.123 1.00 0.00 C ATOM 1555 C LEU A 100 8.830 -4.900 -4.315 1.00 0.00 C ATOM 1556 O LEU A 100 8.390 -4.619 -5.430 1.00 0.00 O ATOM 1557 CB LEU A 100 7.420 -4.516 -2.274 1.00 0.00 C ATOM 1558 CG LEU A 100 7.791 -4.986 -0.868 1.00 0.00 C ATOM 1559 CD1 LEU A 100 9.002 -5.906 -0.905 1.00 0.00 C ATOM 1560 CD2 LEU A 100 8.046 -3.796 0.044 1.00 0.00 C ATOM 0 H LEU A 100 7.289 -2.362 -3.474 1.00 0.00 H new ATOM 0 HA LEU A 100 9.480 -3.946 -2.515 1.00 0.00 H new ATOM 0 HB2 LEU A 100 6.663 -3.736 -2.188 1.00 0.00 H new ATOM 0 HB3 LEU A 100 6.960 -5.349 -2.806 1.00 0.00 H new ATOM 0 HG LEU A 100 6.950 -5.552 -0.466 1.00 0.00 H new ATOM 0 HD11 LEU A 100 9.246 -6.227 0.108 1.00 0.00 H new ATOM 0 HD12 LEU A 100 8.777 -6.779 -1.518 1.00 0.00 H new ATOM 0 HD13 LEU A 100 9.851 -5.372 -1.331 1.00 0.00 H new ATOM 0 HD21 LEU A 100 8.309 -4.151 1.041 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.866 -3.200 -0.357 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.146 -3.183 0.103 1.00 0.00 H new ATOM 1572 N GLU A 101 9.543 -5.996 -4.076 1.00 0.00 N ATOM 1573 CA GLU A 101 9.853 -6.950 -5.135 1.00 0.00 C ATOM 1574 C GLU A 101 9.232 -8.314 -4.845 1.00 0.00 C ATOM 1575 O GLU A 101 9.000 -8.668 -3.689 1.00 0.00 O ATOM 1576 CB GLU A 101 11.368 -7.093 -5.292 1.00 0.00 C ATOM 1577 CG GLU A 101 12.097 -5.763 -5.396 1.00 0.00 C ATOM 1578 CD GLU A 101 11.874 -5.079 -6.731 1.00 0.00 C ATOM 1579 OE1 GLU A 101 10.853 -4.374 -6.873 1.00 0.00 O ATOM 1580 OE2 GLU A 101 12.719 -5.248 -7.634 1.00 0.00 O ATOM 0 H GLU A 101 9.916 -6.245 -3.160 1.00 0.00 H new ATOM 0 HA GLU A 101 9.429 -6.570 -6.064 1.00 0.00 H new ATOM 0 HB2 GLU A 101 11.762 -7.648 -4.441 1.00 0.00 H new ATOM 0 HB3 GLU A 101 11.578 -7.684 -6.183 1.00 0.00 H new ATOM 0 HG2 GLU A 101 11.761 -5.105 -4.594 1.00 0.00 H new ATOM 0 HG3 GLU A 101 13.165 -5.926 -5.249 1.00 0.00 H new ATOM 1654 N VAL A 106 4.366 -11.889 0.021 1.00 0.00 N ATOM 1655 CA VAL A 106 4.597 -10.599 0.675 1.00 0.00 C ATOM 1656 C VAL A 106 5.451 -10.744 1.936 1.00 0.00 C ATOM 1657 O VAL A 106 5.709 -9.763 2.629 1.00 0.00 O ATOM 1658 CB VAL A 106 3.273 -9.848 0.999 1.00 0.00 C ATOM 1659 CG1 VAL A 106 2.216 -10.141 -0.055 1.00 0.00 C ATOM 1660 CG2 VAL A 106 2.748 -10.181 2.392 1.00 0.00 C ATOM 0 HA VAL A 106 5.149 -9.994 -0.044 1.00 0.00 H new ATOM 0 HB VAL A 106 3.498 -8.782 0.985 1.00 0.00 H new ATOM 0 HG11 VAL A 106 1.299 -9.606 0.191 1.00 0.00 H new ATOM 0 HG12 VAL A 106 2.575 -9.815 -1.031 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.015 -11.212 -0.081 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.823 -9.633 2.573 1.00 0.00 H new ATOM 0 HG22 VAL A 106 2.556 -11.252 2.462 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.490 -9.896 3.138 1.00 0.00 H new ATOM 1670 N GLU A 107 5.889 -11.968 2.238 1.00 0.00 N ATOM 1671 CA GLU A 107 6.714 -12.210 3.419 1.00 0.00 C ATOM 1672 C GLU A 107 7.798 -11.143 3.548 1.00 0.00 C ATOM 1673 O GLU A 107 8.058 -10.633 4.638 1.00 0.00 O ATOM 1674 CB GLU A 107 7.350 -13.594 3.344 1.00 0.00 C ATOM 1675 CG GLU A 107 7.840 -14.108 4.686 1.00 0.00 C ATOM 1676 CD GLU A 107 9.189 -14.793 4.591 1.00 0.00 C ATOM 1677 OE1 GLU A 107 9.553 -15.236 3.481 1.00 0.00 O ATOM 1678 OE2 GLU A 107 9.882 -14.886 5.626 1.00 0.00 O ATOM 0 H GLU A 107 5.687 -12.800 1.684 1.00 0.00 H new ATOM 0 HA GLU A 107 6.073 -12.161 4.300 1.00 0.00 H new ATOM 0 HB2 GLU A 107 6.624 -14.298 2.937 1.00 0.00 H new ATOM 0 HB3 GLU A 107 8.188 -13.563 2.648 1.00 0.00 H new ATOM 0 HG2 GLU A 107 7.908 -13.276 5.387 1.00 0.00 H new ATOM 0 HG3 GLU A 107 7.109 -14.808 5.092 1.00 0.00 H new ATOM 1685 N ARG A 108 8.412 -10.794 2.419 1.00 0.00 N ATOM 1686 CA ARG A 108 9.449 -9.770 2.401 1.00 0.00 C ATOM 1687 C ARG A 108 8.829 -8.412 2.706 1.00 0.00 C ATOM 1688 O ARG A 108 9.417 -7.587 3.405 1.00 0.00 O ATOM 1689 CB ARG A 108 10.147 -9.738 1.039 1.00 0.00 C ATOM 1690 CG ARG A 108 11.223 -8.669 0.931 1.00 0.00 C ATOM 1691 CD ARG A 108 12.525 -9.122 1.572 1.00 0.00 C ATOM 1692 NE ARG A 108 13.397 -7.996 1.894 1.00 0.00 N ATOM 1693 CZ ARG A 108 14.515 -8.105 2.609 1.00 0.00 C ATOM 1694 NH1 ARG A 108 14.900 -9.287 3.074 1.00 0.00 N ATOM 1695 NH2 ARG A 108 15.250 -7.031 2.859 1.00 0.00 N ATOM 0 H ARG A 108 8.208 -11.205 1.508 1.00 0.00 H new ATOM 0 HA ARG A 108 10.193 -10.005 3.162 1.00 0.00 H new ATOM 0 HB2 ARG A 108 10.595 -10.713 0.847 1.00 0.00 H new ATOM 0 HB3 ARG A 108 9.401 -9.571 0.262 1.00 0.00 H new ATOM 0 HG2 ARG A 108 11.397 -8.431 -0.118 1.00 0.00 H new ATOM 0 HG3 ARG A 108 10.878 -7.754 1.413 1.00 0.00 H new ATOM 0 HD2 ARG A 108 12.306 -9.682 2.481 1.00 0.00 H new ATOM 0 HD3 ARG A 108 13.045 -9.801 0.896 1.00 0.00 H new ATOM 0 HE ARG A 108 13.134 -7.072 1.551 1.00 0.00 H new ATOM 0 HH11 ARG A 108 14.339 -10.117 2.884 1.00 0.00 H new ATOM 0 HH12 ARG A 108 15.757 -9.365 3.621 1.00 0.00 H new ATOM 0 HH21 ARG A 108 14.959 -6.120 2.504 1.00 0.00 H new ATOM 0 HH22 ARG A 108 16.106 -7.115 3.407 1.00 0.00 H new ATOM 1709 N PHE A 109 7.623 -8.203 2.188 1.00 0.00 N ATOM 1710 CA PHE A 109 6.889 -6.963 2.411 1.00 0.00 C ATOM 1711 C PHE A 109 6.675 -6.736 3.909 1.00 0.00 C ATOM 1712 O PHE A 109 6.473 -5.607 4.355 1.00 0.00 O ATOM 1713 CB PHE A 109 5.541 -7.017 1.674 1.00 0.00 C ATOM 1714 CG PHE A 109 4.549 -5.978 2.123 1.00 0.00 C ATOM 1715 CD1 PHE A 109 4.936 -4.660 2.297 1.00 0.00 C ATOM 1716 CD2 PHE A 109 3.228 -6.323 2.372 1.00 0.00 C ATOM 1717 CE1 PHE A 109 4.028 -3.704 2.710 1.00 0.00 C ATOM 1718 CE2 PHE A 109 2.315 -5.371 2.786 1.00 0.00 C ATOM 1719 CZ PHE A 109 2.716 -4.060 2.955 1.00 0.00 C ATOM 0 H PHE A 109 7.131 -8.882 1.607 1.00 0.00 H new ATOM 0 HA PHE A 109 7.470 -6.128 2.019 1.00 0.00 H new ATOM 0 HB2 PHE A 109 5.719 -6.895 0.606 1.00 0.00 H new ATOM 0 HB3 PHE A 109 5.103 -8.005 1.814 1.00 0.00 H new ATOM 0 HD1 PHE A 109 5.961 -4.376 2.108 1.00 0.00 H new ATOM 0 HD2 PHE A 109 2.910 -7.347 2.241 1.00 0.00 H new ATOM 0 HE1 PHE A 109 4.344 -2.680 2.841 1.00 0.00 H new ATOM 0 HE2 PHE A 109 1.290 -5.652 2.977 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.005 -3.314 3.278 1.00 0.00 H new ATOM 1729 N LEU A 110 6.727 -7.822 4.676 1.00 0.00 N ATOM 1730 CA LEU A 110 6.544 -7.758 6.122 1.00 0.00 C ATOM 1731 C LEU A 110 7.650 -6.946 6.785 1.00 0.00 C ATOM 1732 O LEU A 110 7.385 -6.037 7.572 1.00 0.00 O ATOM 1733 CB LEU A 110 6.524 -9.164 6.707 1.00 0.00 C ATOM 1734 CG LEU A 110 5.557 -9.366 7.873 1.00 0.00 C ATOM 1735 CD1 LEU A 110 5.309 -10.846 8.104 1.00 0.00 C ATOM 1736 CD2 LEU A 110 6.098 -8.708 9.135 1.00 0.00 C ATOM 0 H LEU A 110 6.895 -8.762 4.317 1.00 0.00 H new ATOM 0 HA LEU A 110 5.592 -7.265 6.317 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.266 -9.867 5.915 1.00 0.00 H new ATOM 0 HB3 LEU A 110 7.530 -9.416 7.042 1.00 0.00 H new ATOM 0 HG LEU A 110 4.607 -8.893 7.622 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.618 -10.973 8.938 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.878 -11.287 7.205 1.00 0.00 H new ATOM 0 HD13 LEU A 110 6.252 -11.341 8.335 1.00 0.00 H new ATOM 0 HD21 LEU A 110 5.396 -8.862 9.955 1.00 0.00 H new ATOM 0 HD22 LEU A 110 7.060 -9.151 9.393 1.00 0.00 H new ATOM 0 HD23 LEU A 110 6.225 -7.639 8.962 1.00 0.00 H new ATOM 1748 N LEU A 111 8.894 -7.289 6.466 1.00 0.00 N ATOM 1749 CA LEU A 111 10.051 -6.603 7.033 1.00 0.00 C ATOM 1750 C LEU A 111 9.955 -5.098 6.815 1.00 0.00 C ATOM 1751 O LEU A 111 10.039 -4.318 7.765 1.00 0.00 O ATOM 1752 CB LEU A 111 11.344 -7.139 6.416 1.00 0.00 C ATOM 1753 CG LEU A 111 11.578 -8.640 6.606 1.00 0.00 C ATOM 1754 CD1 LEU A 111 11.302 -9.395 5.316 1.00 0.00 C ATOM 1755 CD2 LEU A 111 13.000 -8.903 7.084 1.00 0.00 C ATOM 0 H LEU A 111 9.128 -8.040 5.816 1.00 0.00 H new ATOM 0 HA LEU A 111 10.063 -6.795 8.106 1.00 0.00 H new ATOM 0 HB2 LEU A 111 11.337 -6.920 5.348 1.00 0.00 H new ATOM 0 HB3 LEU A 111 12.186 -6.598 6.847 1.00 0.00 H new ATOM 0 HG LEU A 111 10.886 -8.999 7.367 1.00 0.00 H new ATOM 0 HD11 LEU A 111 11.474 -10.460 5.474 1.00 0.00 H new ATOM 0 HD12 LEU A 111 10.266 -9.236 5.016 1.00 0.00 H new ATOM 0 HD13 LEU A 111 11.967 -9.032 4.532 1.00 0.00 H new ATOM 0 HD21 LEU A 111 13.148 -9.975 7.214 1.00 0.00 H new ATOM 0 HD22 LEU A 111 13.708 -8.526 6.346 1.00 0.00 H new ATOM 0 HD23 LEU A 111 13.164 -8.397 8.035 1.00 0.00 H new ATOM 1767 N THR A 112 9.782 -4.694 5.561 1.00 0.00 N ATOM 1768 CA THR A 112 9.679 -3.278 5.220 1.00 0.00 C ATOM 1769 C THR A 112 8.634 -2.579 6.086 1.00 0.00 C ATOM 1770 O THR A 112 8.938 -1.596 6.760 1.00 0.00 O ATOM 1771 CB THR A 112 9.325 -3.116 3.741 1.00 0.00 C ATOM 1772 OG1 THR A 112 10.304 -3.730 2.921 1.00 0.00 O ATOM 1773 CG2 THR A 112 9.206 -1.670 3.307 1.00 0.00 C ATOM 0 H THR A 112 9.710 -5.326 4.764 1.00 0.00 H new ATOM 0 HA THR A 112 10.646 -2.813 5.410 1.00 0.00 H new ATOM 0 HB THR A 112 8.353 -3.595 3.624 1.00 0.00 H new ATOM 0 HG1 THR A 112 10.148 -3.483 1.985 1.00 0.00 H new ATOM 0 HG21 THR A 112 8.953 -1.628 2.248 1.00 0.00 H new ATOM 0 HG22 THR A 112 8.424 -1.179 3.886 1.00 0.00 H new ATOM 0 HG23 THR A 112 10.155 -1.161 3.474 1.00 0.00 H new ATOM 1781 N ILE A 113 7.403 -3.093 6.047 1.00 0.00 N ATOM 1782 CA ILE A 113 6.289 -2.526 6.813 1.00 0.00 C ATOM 1783 C ILE A 113 6.768 -1.871 8.103 1.00 0.00 C ATOM 1784 O ILE A 113 6.639 -0.659 8.273 1.00 0.00 O ATOM 1785 CB ILE A 113 5.228 -3.607 7.133 1.00 0.00 C ATOM 1786 CG1 ILE A 113 4.354 -3.869 5.905 1.00 0.00 C ATOM 1787 CG2 ILE A 113 4.367 -3.201 8.324 1.00 0.00 C ATOM 1788 CD1 ILE A 113 3.471 -2.699 5.527 1.00 0.00 C ATOM 0 H ILE A 113 7.150 -3.908 5.488 1.00 0.00 H new ATOM 0 HA ILE A 113 5.833 -1.757 6.190 1.00 0.00 H new ATOM 0 HB ILE A 113 5.750 -4.526 7.398 1.00 0.00 H new ATOM 0 HG12 ILE A 113 4.996 -4.117 5.059 1.00 0.00 H new ATOM 0 HG13 ILE A 113 3.727 -4.740 6.095 1.00 0.00 H new ATOM 0 HG21 ILE A 113 3.632 -3.980 8.524 1.00 0.00 H new ATOM 0 HG22 ILE A 113 5.000 -3.066 9.201 1.00 0.00 H new ATOM 0 HG23 ILE A 113 3.853 -2.266 8.100 1.00 0.00 H new ATOM 0 HD11 ILE A 113 2.881 -2.958 4.648 1.00 0.00 H new ATOM 0 HD12 ILE A 113 2.804 -2.464 6.356 1.00 0.00 H new ATOM 0 HD13 ILE A 113 4.092 -1.831 5.304 1.00 0.00 H new ATOM 1800 N LYS A 114 7.339 -2.667 8.999 1.00 0.00 N ATOM 1801 CA LYS A 114 7.852 -2.137 10.257 1.00 0.00 C ATOM 1802 C LYS A 114 8.714 -0.914 9.974 1.00 0.00 C ATOM 1803 O LYS A 114 8.435 0.189 10.443 1.00 0.00 O ATOM 1804 CB LYS A 114 8.667 -3.200 10.992 1.00 0.00 C ATOM 1805 CG LYS A 114 8.874 -2.898 12.467 1.00 0.00 C ATOM 1806 CD LYS A 114 9.948 -1.841 12.678 1.00 0.00 C ATOM 1807 CE LYS A 114 9.382 -0.591 13.336 1.00 0.00 C ATOM 1808 NZ LYS A 114 10.295 -0.055 14.383 1.00 0.00 N ATOM 0 H LYS A 114 7.458 -3.673 8.880 1.00 0.00 H new ATOM 0 HA LYS A 114 7.014 -1.850 10.893 1.00 0.00 H new ATOM 0 HB2 LYS A 114 8.165 -4.163 10.894 1.00 0.00 H new ATOM 0 HB3 LYS A 114 9.640 -3.297 10.510 1.00 0.00 H new ATOM 0 HG2 LYS A 114 7.936 -2.556 12.904 1.00 0.00 H new ATOM 0 HG3 LYS A 114 9.155 -3.812 12.990 1.00 0.00 H new ATOM 0 HD2 LYS A 114 10.745 -2.250 13.298 1.00 0.00 H new ATOM 0 HD3 LYS A 114 10.394 -1.578 11.719 1.00 0.00 H new ATOM 0 HE2 LYS A 114 9.211 0.173 12.578 1.00 0.00 H new ATOM 0 HE3 LYS A 114 8.414 -0.821 13.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 9.874 0.796 14.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 10.439 -0.775 15.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 11.210 0.189 13.954 1.00 0.00 H new ATOM 1822 N HIS A 115 9.757 -1.132 9.185 1.00 0.00 N ATOM 1823 CA HIS A 115 10.669 -0.061 8.804 1.00 0.00 C ATOM 1824 C HIS A 115 9.906 1.104 8.173 1.00 0.00 C ATOM 1825 O HIS A 115 10.369 2.245 8.197 1.00 0.00 O ATOM 1826 CB HIS A 115 11.724 -0.584 7.831 1.00 0.00 C ATOM 1827 CG HIS A 115 12.835 0.389 7.576 1.00 0.00 C ATOM 1828 ND1 HIS A 115 13.326 1.241 8.543 1.00 0.00 N ATOM 1829 CD2 HIS A 115 13.550 0.643 6.454 1.00 0.00 C ATOM 1830 CE1 HIS A 115 14.295 1.977 8.027 1.00 0.00 C ATOM 1831 NE2 HIS A 115 14.450 1.633 6.762 1.00 0.00 N ATOM 0 H HIS A 115 9.994 -2.044 8.795 1.00 0.00 H new ATOM 0 HA HIS A 115 11.165 0.299 9.705 1.00 0.00 H new ATOM 0 HB2 HIS A 115 12.145 -1.509 8.226 1.00 0.00 H new ATOM 0 HB3 HIS A 115 11.243 -0.831 6.884 1.00 0.00 H new ATOM 0 HD2 HIS A 115 13.434 0.158 5.496 1.00 0.00 H new ATOM 0 HE1 HIS A 115 14.863 2.731 8.551 1.00 0.00 H new ATOM 0 HE2 HIS A 115 15.129 2.038 6.117 1.00 0.00 H new ATOM 1840 N ALA A 116 8.732 0.812 7.606 1.00 0.00 N ATOM 1841 CA ALA A 116 7.915 1.841 6.973 1.00 0.00 C ATOM 1842 C ALA A 116 7.303 2.780 8.008 1.00 0.00 C ATOM 1843 O ALA A 116 7.322 4.000 7.842 1.00 0.00 O ATOM 1844 CB ALA A 116 6.822 1.200 6.130 1.00 0.00 C ATOM 0 H ALA A 116 8.331 -0.125 7.574 1.00 0.00 H new ATOM 0 HA ALA A 116 8.562 2.433 6.326 1.00 0.00 H new ATOM 0 HB1 ALA A 116 6.219 1.979 5.663 1.00 0.00 H new ATOM 0 HB2 ALA A 116 7.275 0.579 5.357 1.00 0.00 H new ATOM 0 HB3 ALA A 116 6.188 0.582 6.766 1.00 0.00 H new ATOM 1850 N PHE A 117 6.759 2.205 9.077 1.00 0.00 N ATOM 1851 CA PHE A 117 6.140 2.995 10.139 1.00 0.00 C ATOM 1852 C PHE A 117 7.177 3.838 10.881 1.00 0.00 C ATOM 1853 O PHE A 117 6.825 4.743 11.637 1.00 0.00 O ATOM 1854 CB PHE A 117 5.410 2.081 11.126 1.00 0.00 C ATOM 1855 CG PHE A 117 4.100 1.558 10.603 1.00 0.00 C ATOM 1856 CD1 PHE A 117 4.068 0.472 9.745 1.00 0.00 C ATOM 1857 CD2 PHE A 117 2.903 2.154 10.968 1.00 0.00 C ATOM 1858 CE1 PHE A 117 2.869 -0.011 9.262 1.00 0.00 C ATOM 1859 CE2 PHE A 117 1.699 1.675 10.487 1.00 0.00 C ATOM 1860 CZ PHE A 117 1.683 0.591 9.633 1.00 0.00 C ATOM 0 H PHE A 117 6.734 1.197 9.231 1.00 0.00 H new ATOM 0 HA PHE A 117 5.421 3.670 9.675 1.00 0.00 H new ATOM 0 HB2 PHE A 117 6.055 1.238 11.374 1.00 0.00 H new ATOM 0 HB3 PHE A 117 5.230 2.628 12.051 1.00 0.00 H new ATOM 0 HD1 PHE A 117 4.992 -0.003 9.450 1.00 0.00 H new ATOM 0 HD2 PHE A 117 2.911 3.003 11.636 1.00 0.00 H new ATOM 0 HE1 PHE A 117 2.858 -0.860 8.594 1.00 0.00 H new ATOM 0 HE2 PHE A 117 0.773 2.148 10.779 1.00 0.00 H new ATOM 0 HZ PHE A 117 0.744 0.214 9.255 1.00 0.00 H new ATOM 1870 N GLU A 118 8.457 3.539 10.662 1.00 0.00 N ATOM 1871 CA GLU A 118 9.536 4.273 11.314 1.00 0.00 C ATOM 1872 C GLU A 118 9.485 5.763 10.972 1.00 0.00 C ATOM 1873 O GLU A 118 10.096 6.583 11.657 1.00 0.00 O ATOM 1874 CB GLU A 118 10.888 3.694 10.907 1.00 0.00 C ATOM 1875 CG GLU A 118 11.908 3.676 12.035 1.00 0.00 C ATOM 1876 CD GLU A 118 12.144 5.050 12.631 1.00 0.00 C ATOM 1877 OE1 GLU A 118 12.856 5.858 11.999 1.00 0.00 O ATOM 1878 OE2 GLU A 118 11.617 5.318 13.732 1.00 0.00 O ATOM 0 H GLU A 118 8.770 2.795 10.039 1.00 0.00 H new ATOM 0 HA GLU A 118 9.406 4.168 12.391 1.00 0.00 H new ATOM 0 HB2 GLU A 118 10.743 2.677 10.543 1.00 0.00 H new ATOM 0 HB3 GLU A 118 11.288 4.276 10.076 1.00 0.00 H new ATOM 0 HG2 GLU A 118 11.566 2.999 12.818 1.00 0.00 H new ATOM 0 HG3 GLU A 118 12.852 3.280 11.660 1.00 0.00 H new