USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 797 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 41 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 44 LYS NZ :NH3+ -162:sc= -0.336 (180deg=-0.784) USER MOD Single : A 3 THR OG1 : rot -23:sc= 0.612 USER MOD Single : A 7 SER OG : rot 180:sc= -0.567 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 82:sc= 0.394 USER MOD Single : A 19 GLN : amide:sc=-8.06e-05 X(o=-8.1e-05,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= -0.56 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00337) USER MOD Single : A 31 GLN : amide:sc= -0.0244 X(o=-0.024,f=0) USER MOD Single : A 33 SER OG : rot 151:sc= -3.97! USER MOD Single : A 35 MET CE :methyl 165:sc= -0.049 (180deg=-0.425) USER MOD Single : A 36 SER OG : rot 180:sc= -0.198 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0.0883 USER MOD Single : A 42 GLN :FLIP amide:sc= -0.553 F(o=-3.5!,f=-0.55) USER MOD Single : A 52 ASN : amide:sc= -0.302 X(o=-0.3,f=-0.0017) USER MOD Single : A 54 GLN : amide:sc= -0.603 K(o=-0.6,f=-2!) USER MOD Single : A 55 SER OG : rot -114:sc= 1.21 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN :FLIP amide:sc= -1.85 F(o=-2.7,f=-1.8) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.104 USER MOD Single : A 80 SER OG : rot -38:sc= 0.172 USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.453 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 89:sc= 1.25 USER MOD Single : A 91 HIS : no HD1:sc= -0.419 X(o=-0.42,f=-0.028) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN :FLIP amide:sc= -1.4 F(o=-2,f=-1.4) USER MOD Single : A 105 MET CE :methyl -125:sc= -6.59! (180deg=-9.02!) USER MOD Single : A 107 GLN : amide:sc= -1.66 X(o=-1.7,f=-1.3) USER MOD Single : A 108 SER OG : rot -51:sc= 0.00292 USER MOD ----------------------------------------------------------------- ATOM 31 N THR A 3 4.392 -3.210 -3.598 1.00 51.11 N ATOM 32 CA THR A 3 5.845 -3.138 -3.508 1.00 13.53 C ATOM 33 C THR A 3 6.457 -4.527 -3.368 1.00 53.32 C ATOM 34 O THR A 3 7.537 -4.685 -2.800 1.00 21.25 O ATOM 35 CB THR A 3 6.291 -2.270 -2.315 1.00 71.34 C ATOM 36 OG1 THR A 3 5.301 -2.313 -1.281 1.00 42.43 O ATOM 37 CG2 THR A 3 6.518 -0.830 -2.749 1.00 14.12 C ATOM 0 HA THR A 3 6.197 -2.681 -4.433 1.00 13.53 H new ATOM 0 HB THR A 3 7.231 -2.670 -1.934 1.00 71.34 H new ATOM 0 HG1 THR A 3 4.433 -2.550 -1.669 1.00 42.43 H new ATOM 0 HG21 THR A 3 6.832 -0.236 -1.890 1.00 14.12 H new ATOM 0 HG22 THR A 3 7.293 -0.799 -3.515 1.00 14.12 H new ATOM 0 HG23 THR A 3 5.592 -0.422 -3.153 1.00 14.12 H new ATOM 45 N ASP A 4 5.760 -5.530 -3.891 1.00 4.10 N ATOM 46 CA ASP A 4 6.237 -6.907 -3.826 1.00 52.32 C ATOM 47 C ASP A 4 6.552 -7.439 -5.221 1.00 3.33 C ATOM 48 O ASP A 4 7.167 -8.495 -5.368 1.00 23.31 O ATOM 49 CB ASP A 4 5.194 -7.798 -3.151 1.00 31.54 C ATOM 50 CG ASP A 4 5.683 -8.364 -1.832 1.00 21.50 C ATOM 51 OD1 ASP A 4 5.973 -7.567 -0.916 1.00 30.33 O ATOM 52 OD2 ASP A 4 5.777 -9.605 -1.716 1.00 51.45 O ATOM 0 H ASP A 4 4.864 -5.416 -4.364 1.00 4.10 H new ATOM 0 HA ASP A 4 7.153 -6.921 -3.236 1.00 52.32 H new ATOM 0 HB2 ASP A 4 4.284 -7.223 -2.981 1.00 31.54 H new ATOM 0 HB3 ASP A 4 4.933 -8.618 -3.820 1.00 31.54 H new ATOM 57 N ILE A 5 6.127 -6.701 -6.240 1.00 54.42 N ATOM 58 CA ILE A 5 6.364 -7.098 -7.622 1.00 60.43 C ATOM 59 C ILE A 5 7.004 -5.966 -8.418 1.00 53.12 C ATOM 60 O ILE A 5 8.119 -6.100 -8.923 1.00 60.14 O ATOM 61 CB ILE A 5 5.058 -7.525 -8.318 1.00 32.35 C ATOM 62 CG1 ILE A 5 4.444 -8.730 -7.602 1.00 33.22 C ATOM 63 CG2 ILE A 5 5.318 -7.848 -9.781 1.00 51.04 C ATOM 64 CD1 ILE A 5 3.474 -8.351 -6.505 1.00 34.42 C ATOM 0 H ILE A 5 5.616 -5.824 -6.135 1.00 54.42 H new ATOM 0 HA ILE A 5 7.045 -7.948 -7.592 1.00 60.43 H new ATOM 0 HB ILE A 5 4.350 -6.697 -8.270 1.00 32.35 H new ATOM 0 HG12 ILE A 5 3.928 -9.353 -8.333 1.00 33.22 H new ATOM 0 HG13 ILE A 5 5.244 -9.335 -7.176 1.00 33.22 H new ATOM 0 HG21 ILE A 5 4.385 -8.148 -10.259 1.00 51.04 H new ATOM 0 HG22 ILE A 5 5.716 -6.966 -10.283 1.00 51.04 H new ATOM 0 HG23 ILE A 5 6.040 -8.662 -9.851 1.00 51.04 H new ATOM 0 HD11 ILE A 5 3.078 -9.254 -6.041 1.00 34.42 H new ATOM 0 HD12 ILE A 5 3.990 -7.754 -5.753 1.00 34.42 H new ATOM 0 HD13 ILE A 5 2.654 -7.771 -6.929 1.00 34.42 H new ATOM 76 N LEU A 6 6.292 -4.850 -8.525 1.00 14.53 N ATOM 77 CA LEU A 6 6.790 -3.691 -9.258 1.00 21.02 C ATOM 78 C LEU A 6 7.418 -2.675 -8.309 1.00 14.11 C ATOM 79 O LEU A 6 7.090 -2.633 -7.123 1.00 70.31 O ATOM 80 CB LEU A 6 5.656 -3.036 -10.048 1.00 12.34 C ATOM 81 CG LEU A 6 5.368 -3.629 -11.427 1.00 21.40 C ATOM 82 CD1 LEU A 6 3.999 -3.190 -11.922 1.00 71.12 C ATOM 83 CD2 LEU A 6 6.450 -3.226 -12.418 1.00 3.43 C ATOM 0 H LEU A 6 5.367 -4.723 -8.113 1.00 14.53 H new ATOM 0 HA LEU A 6 7.557 -4.034 -9.953 1.00 21.02 H new ATOM 0 HB2 LEU A 6 4.745 -3.094 -9.452 1.00 12.34 H new ATOM 0 HB3 LEU A 6 5.890 -1.979 -10.171 1.00 12.34 H new ATOM 0 HG LEU A 6 5.369 -4.716 -11.341 1.00 21.40 H new ATOM 0 HD11 LEU A 6 3.812 -3.622 -12.905 1.00 71.12 H new ATOM 0 HD12 LEU A 6 3.234 -3.530 -11.224 1.00 71.12 H new ATOM 0 HD13 LEU A 6 3.969 -2.103 -11.992 1.00 71.12 H new ATOM 0 HD21 LEU A 6 6.228 -3.657 -13.394 1.00 3.43 H new ATOM 0 HD22 LEU A 6 6.482 -2.140 -12.500 1.00 3.43 H new ATOM 0 HD23 LEU A 6 7.416 -3.592 -12.071 1.00 3.43 H new ATOM 95 N SER A 7 8.320 -1.856 -8.840 1.00 13.43 N ATOM 96 CA SER A 7 8.994 -0.840 -8.040 1.00 23.13 C ATOM 97 C SER A 7 8.098 0.378 -7.840 1.00 11.20 C ATOM 98 O SER A 7 7.145 0.608 -8.585 1.00 12.34 O ATOM 99 CB SER A 7 10.304 -0.419 -8.710 1.00 33.51 C ATOM 100 OG SER A 7 11.417 -0.713 -7.884 1.00 32.25 O ATOM 0 H SER A 7 8.601 -1.876 -9.820 1.00 13.43 H new ATOM 0 HA SER A 7 9.215 -1.270 -7.063 1.00 23.13 H new ATOM 0 HB2 SER A 7 10.410 -0.934 -9.665 1.00 33.51 H new ATOM 0 HB3 SER A 7 10.279 0.649 -8.925 1.00 33.51 H new ATOM 0 HG SER A 7 12.242 -0.436 -8.335 1.00 32.25 H new ATOM 106 N PRO A 8 8.409 1.178 -6.810 1.00 5.53 N ATOM 107 CA PRO A 8 7.646 2.387 -6.487 1.00 55.30 C ATOM 108 C PRO A 8 7.835 3.487 -7.526 1.00 10.31 C ATOM 109 O PRO A 8 6.865 4.066 -8.015 1.00 71.45 O ATOM 110 CB PRO A 8 8.222 2.821 -5.137 1.00 41.52 C ATOM 111 CG PRO A 8 9.601 2.258 -5.115 1.00 71.41 C ATOM 112 CD PRO A 8 9.532 0.965 -5.881 1.00 10.32 C ATOM 0 HA PRO A 8 6.573 2.198 -6.466 1.00 55.30 H new ATOM 0 HB2 PRO A 8 8.236 3.907 -5.043 1.00 41.52 H new ATOM 0 HB3 PRO A 8 7.625 2.437 -4.310 1.00 41.52 H new ATOM 0 HG2 PRO A 8 10.311 2.946 -5.574 1.00 71.41 H new ATOM 0 HG3 PRO A 8 9.937 2.088 -4.092 1.00 71.41 H new ATOM 0 HD2 PRO A 8 10.461 0.763 -6.414 1.00 10.32 H new ATOM 0 HD3 PRO A 8 9.352 0.116 -5.221 1.00 10.32 H new ATOM 120 N SER A 9 9.090 3.771 -7.858 1.00 42.32 N ATOM 121 CA SER A 9 9.407 4.805 -8.837 1.00 73.20 C ATOM 122 C SER A 9 8.724 4.517 -10.171 1.00 25.11 C ATOM 123 O SER A 9 8.364 5.435 -10.907 1.00 52.33 O ATOM 124 CB SER A 9 10.920 4.902 -9.036 1.00 45.11 C ATOM 125 OG SER A 9 11.444 3.697 -9.567 1.00 34.35 O ATOM 0 H SER A 9 9.904 3.300 -7.464 1.00 42.32 H new ATOM 0 HA SER A 9 9.037 5.757 -8.457 1.00 73.20 H new ATOM 0 HB2 SER A 9 11.149 5.729 -9.708 1.00 45.11 H new ATOM 0 HB3 SER A 9 11.402 5.123 -8.083 1.00 45.11 H new ATOM 0 HG SER A 9 12.413 3.786 -9.686 1.00 34.35 H new ATOM 131 N ASP A 10 8.551 3.235 -10.475 1.00 1.41 N ATOM 132 CA ASP A 10 7.911 2.825 -11.719 1.00 63.44 C ATOM 133 C ASP A 10 6.409 3.086 -11.670 1.00 62.02 C ATOM 134 O ASP A 10 5.797 3.434 -12.680 1.00 53.31 O ATOM 135 CB ASP A 10 8.175 1.342 -11.988 1.00 41.21 C ATOM 136 CG ASP A 10 9.639 1.054 -12.259 1.00 13.32 C ATOM 137 OD1 ASP A 10 10.408 2.020 -12.446 1.00 21.23 O ATOM 138 OD2 ASP A 10 10.015 -0.137 -12.285 1.00 13.54 O ATOM 0 H ASP A 10 8.845 2.463 -9.877 1.00 1.41 H new ATOM 0 HA ASP A 10 8.337 3.416 -12.530 1.00 63.44 H new ATOM 0 HB2 ASP A 10 7.845 0.756 -11.130 1.00 41.21 H new ATOM 0 HB3 ASP A 10 7.580 1.019 -12.842 1.00 41.21 H new ATOM 143 N ILE A 11 5.822 2.915 -10.491 1.00 23.44 N ATOM 144 CA ILE A 11 4.392 3.132 -10.311 1.00 3.05 C ATOM 145 C ILE A 11 4.069 4.620 -10.228 1.00 74.12 C ATOM 146 O ILE A 11 3.194 5.115 -10.938 1.00 50.41 O ATOM 147 CB ILE A 11 3.872 2.434 -9.040 1.00 63.10 C ATOM 148 CG1 ILE A 11 4.014 0.916 -9.171 1.00 42.14 C ATOM 149 CG2 ILE A 11 2.422 2.815 -8.782 1.00 3.41 C ATOM 150 CD1 ILE A 11 4.317 0.222 -7.862 1.00 2.01 C ATOM 0 H ILE A 11 6.315 2.627 -9.646 1.00 23.44 H new ATOM 0 HA ILE A 11 3.895 2.702 -11.181 1.00 3.05 H new ATOM 0 HB ILE A 11 4.471 2.764 -8.191 1.00 63.10 H new ATOM 0 HG12 ILE A 11 3.092 0.507 -9.585 1.00 42.14 H new ATOM 0 HG13 ILE A 11 4.809 0.694 -9.883 1.00 42.14 H new ATOM 0 HG21 ILE A 11 2.069 2.314 -7.881 1.00 3.41 H new ATOM 0 HG22 ILE A 11 2.347 3.894 -8.650 1.00 3.41 H new ATOM 0 HG23 ILE A 11 1.809 2.510 -9.630 1.00 3.41 H new ATOM 0 HD11 ILE A 11 4.404 -0.851 -8.031 1.00 2.01 H new ATOM 0 HD12 ILE A 11 5.254 0.603 -7.457 1.00 2.01 H new ATOM 0 HD13 ILE A 11 3.511 0.414 -7.154 1.00 2.01 H new ATOM 162 N ALA A 12 4.781 5.328 -9.358 1.00 64.31 N ATOM 163 CA ALA A 12 4.573 6.760 -9.186 1.00 30.14 C ATOM 164 C ALA A 12 4.750 7.503 -10.505 1.00 50.32 C ATOM 165 O ALA A 12 4.145 8.553 -10.723 1.00 63.32 O ATOM 166 CB ALA A 12 5.527 7.310 -8.136 1.00 24.52 C ATOM 0 H ALA A 12 5.507 4.933 -8.761 1.00 64.31 H new ATOM 0 HA ALA A 12 3.549 6.915 -8.847 1.00 30.14 H new ATOM 0 HB1 ALA A 12 5.360 8.381 -8.018 1.00 24.52 H new ATOM 0 HB2 ALA A 12 5.350 6.808 -7.185 1.00 24.52 H new ATOM 0 HB3 ALA A 12 6.556 7.136 -8.452 1.00 24.52 H new ATOM 172 N ALA A 13 5.583 6.953 -11.382 1.00 62.30 N ATOM 173 CA ALA A 13 5.839 7.563 -12.681 1.00 15.43 C ATOM 174 C ALA A 13 4.702 7.275 -13.656 1.00 24.30 C ATOM 175 O ALA A 13 4.469 8.036 -14.595 1.00 21.45 O ATOM 176 CB ALA A 13 7.161 7.067 -13.246 1.00 41.43 C ATOM 0 H ALA A 13 6.093 6.085 -11.216 1.00 62.30 H new ATOM 0 HA ALA A 13 5.899 8.643 -12.543 1.00 15.43 H new ATOM 0 HB1 ALA A 13 7.339 7.531 -14.216 1.00 41.43 H new ATOM 0 HB2 ALA A 13 7.970 7.330 -12.564 1.00 41.43 H new ATOM 0 HB3 ALA A 13 7.123 5.984 -13.363 1.00 41.43 H new ATOM 182 N ALA A 14 3.999 6.170 -13.428 1.00 2.32 N ATOM 183 CA ALA A 14 2.887 5.782 -14.286 1.00 14.22 C ATOM 184 C ALA A 14 1.588 6.440 -13.832 1.00 32.43 C ATOM 185 O ALA A 14 0.819 6.948 -14.648 1.00 52.44 O ATOM 186 CB ALA A 14 2.736 4.268 -14.303 1.00 4.22 C ATOM 0 H ALA A 14 4.180 5.528 -12.656 1.00 2.32 H new ATOM 0 HA ALA A 14 3.104 6.126 -15.297 1.00 14.22 H new ATOM 0 HB1 ALA A 14 1.901 3.993 -14.948 1.00 4.22 H new ATOM 0 HB2 ALA A 14 3.652 3.815 -14.682 1.00 4.22 H new ATOM 0 HB3 ALA A 14 2.546 3.910 -13.291 1.00 4.22 H new ATOM 192 N LEU A 15 1.348 6.425 -12.525 1.00 43.11 N ATOM 193 CA LEU A 15 0.141 7.020 -11.962 1.00 21.31 C ATOM 194 C LEU A 15 0.057 8.505 -12.300 1.00 32.30 C ATOM 195 O LEU A 15 -0.978 8.989 -12.757 1.00 53.53 O ATOM 196 CB LEU A 15 0.115 6.828 -10.444 1.00 53.25 C ATOM 197 CG LEU A 15 -0.485 5.513 -9.944 1.00 45.42 C ATOM 198 CD1 LEU A 15 -0.235 5.346 -8.453 1.00 55.43 C ATOM 199 CD2 LEU A 15 -1.975 5.457 -10.248 1.00 23.15 C ATOM 0 H LEU A 15 1.973 6.007 -11.836 1.00 43.11 H new ATOM 0 HA LEU A 15 -0.721 6.518 -12.401 1.00 21.31 H new ATOM 0 HB2 LEU A 15 1.136 6.903 -10.071 1.00 53.25 H new ATOM 0 HB3 LEU A 15 -0.447 7.651 -10.003 1.00 53.25 H new ATOM 0 HG LEU A 15 0.002 4.690 -10.467 1.00 45.42 H new ATOM 0 HD11 LEU A 15 -0.669 4.405 -8.114 1.00 55.43 H new ATOM 0 HD12 LEU A 15 0.838 5.340 -8.262 1.00 55.43 H new ATOM 0 HD13 LEU A 15 -0.695 6.173 -7.912 1.00 55.43 H new ATOM 0 HD21 LEU A 15 -2.385 4.515 -9.885 1.00 23.15 H new ATOM 0 HD22 LEU A 15 -2.479 6.287 -9.752 1.00 23.15 H new ATOM 0 HD23 LEU A 15 -2.130 5.530 -11.325 1.00 23.15 H new ATOM 211 N ARG A 16 1.153 9.221 -12.074 1.00 21.02 N ATOM 212 CA ARG A 16 1.203 10.651 -12.355 1.00 64.44 C ATOM 213 C ARG A 16 1.223 10.908 -13.859 1.00 52.13 C ATOM 214 O ARG A 16 0.704 11.919 -14.333 1.00 1.32 O ATOM 215 CB ARG A 16 2.437 11.277 -11.704 1.00 5.31 C ATOM 216 CG ARG A 16 2.423 11.213 -10.185 1.00 44.14 C ATOM 217 CD ARG A 16 3.228 12.348 -9.572 1.00 41.43 C ATOM 218 NE ARG A 16 3.200 12.313 -8.113 1.00 2.14 N ATOM 219 CZ ARG A 16 2.122 12.599 -7.391 1.00 61.01 C ATOM 220 NH1 ARG A 16 0.990 12.939 -7.991 1.00 73.01 N ATOM 221 NH2 ARG A 16 2.175 12.544 -6.066 1.00 43.53 N ATOM 0 H ARG A 16 2.018 8.835 -11.697 1.00 21.02 H new ATOM 0 HA ARG A 16 0.307 11.110 -11.936 1.00 64.44 H new ATOM 0 HB2 ARG A 16 3.329 10.770 -12.072 1.00 5.31 H new ATOM 0 HB3 ARG A 16 2.512 12.319 -12.015 1.00 5.31 H new ATOM 0 HG2 ARG A 16 1.394 11.260 -9.827 1.00 44.14 H new ATOM 0 HG3 ARG A 16 2.831 10.257 -9.856 1.00 44.14 H new ATOM 0 HD2 ARG A 16 4.260 12.287 -9.916 1.00 41.43 H new ATOM 0 HD3 ARG A 16 2.832 13.302 -9.919 1.00 41.43 H new ATOM 0 HE ARG A 16 4.055 12.055 -7.621 1.00 2.14 H new ATOM 0 HH11 ARG A 16 0.945 12.981 -9.009 1.00 73.01 H new ATOM 0 HH12 ARG A 16 0.164 13.158 -7.435 1.00 73.01 H new ATOM 0 HH21 ARG A 16 3.044 12.282 -5.601 1.00 43.53 H new ATOM 0 HH22 ARG A 16 1.347 12.764 -5.513 1.00 43.53 H new ATOM 235 N ASP A 17 1.825 9.987 -14.604 1.00 55.31 N ATOM 236 CA ASP A 17 1.911 10.114 -16.054 1.00 63.03 C ATOM 237 C ASP A 17 0.539 10.393 -16.659 1.00 13.15 C ATOM 238 O ASP A 17 0.396 11.251 -17.531 1.00 64.41 O ATOM 239 CB ASP A 17 2.502 8.842 -16.664 1.00 73.33 C ATOM 240 CG ASP A 17 2.182 8.705 -18.140 1.00 3.00 C ATOM 241 OD1 ASP A 17 2.705 9.511 -18.938 1.00 2.32 O ATOM 242 OD2 ASP A 17 1.410 7.791 -18.497 1.00 40.32 O ATOM 0 H ASP A 17 2.260 9.145 -14.228 1.00 55.31 H new ATOM 0 HA ASP A 17 2.565 10.956 -16.282 1.00 63.03 H new ATOM 0 HB2 ASP A 17 3.584 8.846 -16.529 1.00 73.33 H new ATOM 0 HB3 ASP A 17 2.117 7.973 -16.130 1.00 73.33 H new ATOM 247 N CYS A 18 -0.468 9.664 -16.190 1.00 24.41 N ATOM 248 CA CYS A 18 -1.829 9.831 -16.685 1.00 52.24 C ATOM 249 C CYS A 18 -2.832 9.812 -15.537 1.00 31.35 C ATOM 250 O CYS A 18 -3.890 9.190 -15.635 1.00 2.25 O ATOM 251 CB CYS A 18 -2.167 8.730 -17.692 1.00 1.50 C ATOM 252 SG CYS A 18 -1.490 9.009 -19.345 1.00 63.12 S ATOM 0 H CYS A 18 -0.367 8.951 -15.467 1.00 24.41 H new ATOM 0 HA CYS A 18 -1.892 10.799 -17.182 1.00 52.24 H new ATOM 0 HB2 CYS A 18 -1.793 7.779 -17.313 1.00 1.50 H new ATOM 0 HB3 CYS A 18 -3.251 8.640 -17.765 1.00 1.50 H new ATOM 0 HG CYS A 18 -0.246 8.632 -19.374 1.00 63.12 H new ATOM 258 N GLN A 19 -2.491 10.495 -14.449 1.00 32.24 N ATOM 259 CA GLN A 19 -3.361 10.553 -13.280 1.00 53.50 C ATOM 260 C GLN A 19 -4.724 11.134 -13.644 1.00 43.24 C ATOM 261 O GLN A 19 -5.750 10.717 -13.109 1.00 73.24 O ATOM 262 CB GLN A 19 -2.714 11.393 -12.178 1.00 11.35 C ATOM 263 CG GLN A 19 -2.140 12.711 -12.674 1.00 30.51 C ATOM 264 CD GLN A 19 -2.034 13.751 -11.577 1.00 3.23 C ATOM 265 OE1 GLN A 19 -2.812 14.704 -11.531 1.00 75.03 O ATOM 266 NE2 GLN A 19 -1.067 13.574 -10.684 1.00 44.22 N ATOM 0 H GLN A 19 -1.619 11.016 -14.353 1.00 32.24 H new ATOM 0 HA GLN A 19 -3.505 9.536 -12.915 1.00 53.50 H new ATOM 0 HB2 GLN A 19 -3.456 11.597 -11.406 1.00 11.35 H new ATOM 0 HB3 GLN A 19 -1.918 10.813 -11.710 1.00 11.35 H new ATOM 0 HG2 GLN A 19 -1.152 12.535 -13.099 1.00 30.51 H new ATOM 0 HG3 GLN A 19 -2.768 13.098 -13.476 1.00 30.51 H new ATOM 0 HE21 GLN A 19 -0.444 12.770 -10.759 1.00 44.22 H new ATOM 0 HE22 GLN A 19 -0.947 14.242 -9.923 1.00 44.22 H new ATOM 275 N ALA A 20 -4.725 12.100 -14.558 1.00 22.51 N ATOM 276 CA ALA A 20 -5.961 12.736 -14.995 1.00 10.32 C ATOM 277 C ALA A 20 -6.992 11.698 -15.424 1.00 64.42 C ATOM 278 O ALA A 20 -6.659 10.649 -15.976 1.00 64.32 O ATOM 279 CB ALA A 20 -5.681 13.707 -16.133 1.00 32.23 C ATOM 0 H ALA A 20 -3.884 12.458 -15.009 1.00 22.51 H new ATOM 0 HA ALA A 20 -6.373 13.290 -14.152 1.00 10.32 H new ATOM 0 HB1 ALA A 20 -6.613 14.175 -16.450 1.00 32.23 H new ATOM 0 HB2 ALA A 20 -4.986 14.475 -15.793 1.00 32.23 H new ATOM 0 HB3 ALA A 20 -5.243 13.167 -16.972 1.00 32.23 H new ATOM 285 N PRO A 21 -8.274 11.993 -15.165 1.00 51.24 N ATOM 286 CA PRO A 21 -9.380 11.097 -15.517 1.00 25.10 C ATOM 287 C PRO A 21 -9.601 11.013 -17.023 1.00 62.33 C ATOM 288 O PRO A 21 -9.272 11.942 -17.762 1.00 32.55 O ATOM 289 CB PRO A 21 -10.589 11.740 -14.834 1.00 41.50 C ATOM 290 CG PRO A 21 -10.233 13.182 -14.713 1.00 51.14 C ATOM 291 CD PRO A 21 -8.744 13.225 -14.510 1.00 42.51 C ATOM 0 HA PRO A 21 -9.190 10.071 -15.200 1.00 25.10 H new ATOM 0 HB2 PRO A 21 -11.496 11.604 -15.424 1.00 41.50 H new ATOM 0 HB3 PRO A 21 -10.775 11.295 -13.857 1.00 41.50 H new ATOM 0 HG2 PRO A 21 -10.521 13.732 -15.609 1.00 51.14 H new ATOM 0 HG3 PRO A 21 -10.755 13.644 -13.875 1.00 51.14 H new ATOM 0 HD2 PRO A 21 -8.303 14.113 -14.961 1.00 42.51 H new ATOM 0 HD3 PRO A 21 -8.483 13.242 -13.452 1.00 42.51 H new ATOM 299 N ASP A 22 -10.160 9.895 -17.473 1.00 22.53 N ATOM 300 CA ASP A 22 -10.427 9.690 -18.892 1.00 24.12 C ATOM 301 C ASP A 22 -9.131 9.712 -19.697 1.00 30.41 C ATOM 302 O ASP A 22 -9.149 9.873 -20.917 1.00 55.50 O ATOM 303 CB ASP A 22 -11.383 10.763 -19.413 1.00 15.33 C ATOM 304 CG ASP A 22 -12.037 10.370 -20.723 1.00 22.00 C ATOM 305 OD1 ASP A 22 -11.967 9.177 -21.086 1.00 12.24 O ATOM 306 OD2 ASP A 22 -12.617 11.255 -21.386 1.00 41.23 O ATOM 0 H ASP A 22 -10.437 9.116 -16.875 1.00 22.53 H new ATOM 0 HA ASP A 22 -10.892 8.711 -19.011 1.00 24.12 H new ATOM 0 HB2 ASP A 22 -12.155 10.951 -18.667 1.00 15.33 H new ATOM 0 HB3 ASP A 22 -10.837 11.697 -19.549 1.00 15.33 H new ATOM 311 N SER A 23 -8.008 9.549 -19.005 1.00 64.34 N ATOM 312 CA SER A 23 -6.702 9.555 -19.655 1.00 73.43 C ATOM 313 C SER A 23 -5.909 8.303 -19.292 1.00 71.23 C ATOM 314 O SER A 23 -4.767 8.132 -19.719 1.00 41.21 O ATOM 315 CB SER A 23 -5.916 10.804 -19.256 1.00 4.34 C ATOM 316 OG SER A 23 -6.160 11.870 -20.157 1.00 4.43 O ATOM 0 H SER A 23 -7.976 9.411 -17.995 1.00 64.34 H new ATOM 0 HA SER A 23 -6.860 9.564 -20.733 1.00 73.43 H new ATOM 0 HB2 SER A 23 -6.195 11.106 -18.247 1.00 4.34 H new ATOM 0 HB3 SER A 23 -4.850 10.576 -19.237 1.00 4.34 H new ATOM 0 HG SER A 23 -5.647 12.657 -19.879 1.00 4.43 H new ATOM 322 N PHE A 24 -6.523 7.430 -18.501 1.00 74.52 N ATOM 323 CA PHE A 24 -5.876 6.193 -18.079 1.00 4.11 C ATOM 324 C PHE A 24 -6.245 5.041 -19.009 1.00 24.24 C ATOM 325 O PHE A 24 -7.180 5.144 -19.802 1.00 14.04 O ATOM 326 CB PHE A 24 -6.272 5.850 -16.641 1.00 44.33 C ATOM 327 CG PHE A 24 -5.213 6.189 -15.631 1.00 30.31 C ATOM 328 CD1 PHE A 24 -3.914 5.734 -15.790 1.00 41.13 C ATOM 329 CD2 PHE A 24 -5.517 6.961 -14.521 1.00 52.05 C ATOM 330 CE1 PHE A 24 -2.937 6.044 -14.863 1.00 12.14 C ATOM 331 CE2 PHE A 24 -4.545 7.275 -13.591 1.00 23.52 C ATOM 332 CZ PHE A 24 -3.253 6.814 -13.761 1.00 15.51 C ATOM 0 H PHE A 24 -7.468 7.556 -18.139 1.00 74.52 H new ATOM 0 HA PHE A 24 -4.797 6.343 -18.126 1.00 4.11 H new ATOM 0 HB2 PHE A 24 -7.188 6.383 -16.388 1.00 44.33 H new ATOM 0 HB3 PHE A 24 -6.495 4.785 -16.578 1.00 44.33 H new ATOM 0 HD1 PHE A 24 -3.662 5.130 -16.649 1.00 41.13 H new ATOM 0 HD2 PHE A 24 -6.526 7.321 -14.381 1.00 52.05 H new ATOM 0 HE1 PHE A 24 -1.928 5.685 -15.000 1.00 12.14 H new ATOM 0 HE2 PHE A 24 -4.794 7.880 -12.732 1.00 23.52 H new ATOM 0 HZ PHE A 24 -2.492 7.055 -13.033 1.00 15.51 H new ATOM 342 N SER A 25 -5.501 3.944 -18.905 1.00 35.41 N ATOM 343 CA SER A 25 -5.747 2.773 -19.739 1.00 24.32 C ATOM 344 C SER A 25 -5.035 1.546 -19.176 1.00 12.22 C ATOM 345 O SER A 25 -3.964 1.639 -18.576 1.00 31.02 O ATOM 346 CB SER A 25 -5.280 3.034 -21.172 1.00 45.30 C ATOM 347 OG SER A 25 -6.272 2.653 -22.109 1.00 43.43 O ATOM 0 H SER A 25 -4.724 3.842 -18.252 1.00 35.41 H new ATOM 0 HA SER A 25 -6.820 2.580 -19.743 1.00 24.32 H new ATOM 0 HB2 SER A 25 -5.046 4.092 -21.295 1.00 45.30 H new ATOM 0 HB3 SER A 25 -4.361 2.480 -21.365 1.00 45.30 H new ATOM 0 HG SER A 25 -5.950 2.831 -23.017 1.00 43.43 H new ATOM 353 N PRO A 26 -5.644 0.367 -19.373 1.00 51.51 N ATOM 354 CA PRO A 26 -5.088 -0.901 -18.894 1.00 25.12 C ATOM 355 C PRO A 26 -3.833 -1.310 -19.659 1.00 15.11 C ATOM 356 O PRO A 26 -2.927 -1.928 -19.101 1.00 3.13 O ATOM 357 CB PRO A 26 -6.218 -1.902 -19.146 1.00 22.12 C ATOM 358 CG PRO A 26 -7.009 -1.308 -20.260 1.00 25.01 C ATOM 359 CD PRO A 26 -6.923 0.182 -20.080 1.00 3.42 C ATOM 0 HA PRO A 26 -4.778 -0.842 -17.851 1.00 25.12 H new ATOM 0 HB2 PRO A 26 -5.826 -2.882 -19.418 1.00 22.12 H new ATOM 0 HB3 PRO A 26 -6.831 -2.040 -18.255 1.00 22.12 H new ATOM 0 HG2 PRO A 26 -6.607 -1.608 -21.228 1.00 25.01 H new ATOM 0 HG3 PRO A 26 -8.045 -1.646 -20.227 1.00 25.01 H new ATOM 0 HD2 PRO A 26 -6.932 0.704 -21.037 1.00 3.42 H new ATOM 0 HD3 PRO A 26 -7.762 0.566 -19.500 1.00 3.42 H new ATOM 367 N LYS A 27 -3.788 -0.961 -20.940 1.00 44.21 N ATOM 368 CA LYS A 27 -2.644 -1.289 -21.783 1.00 21.43 C ATOM 369 C LYS A 27 -1.666 -0.121 -21.853 1.00 12.31 C ATOM 370 O LYS A 27 -0.903 0.007 -22.810 1.00 40.25 O ATOM 371 CB LYS A 27 -3.112 -1.662 -23.191 1.00 53.43 C ATOM 372 CG LYS A 27 -3.484 -0.462 -24.046 1.00 2.14 C ATOM 373 CD LYS A 27 -4.790 -0.689 -24.788 1.00 62.23 C ATOM 374 CE LYS A 27 -5.991 -0.503 -23.874 1.00 2.42 C ATOM 375 NZ LYS A 27 -7.239 -0.242 -24.643 1.00 62.24 N ATOM 0 H LYS A 27 -4.531 -0.451 -21.418 1.00 44.21 H new ATOM 0 HA LYS A 27 -2.131 -2.142 -21.340 1.00 21.43 H new ATOM 0 HB2 LYS A 27 -2.322 -2.223 -23.691 1.00 53.43 H new ATOM 0 HB3 LYS A 27 -3.974 -2.325 -23.115 1.00 53.43 H new ATOM 0 HG2 LYS A 27 -3.572 0.422 -23.415 1.00 2.14 H new ATOM 0 HG3 LYS A 27 -2.687 -0.264 -24.763 1.00 2.14 H new ATOM 0 HD2 LYS A 27 -4.859 0.005 -25.626 1.00 62.23 H new ATOM 0 HD3 LYS A 27 -4.802 -1.696 -25.206 1.00 62.23 H new ATOM 0 HE2 LYS A 27 -6.122 -1.395 -23.261 1.00 2.42 H new ATOM 0 HE3 LYS A 27 -5.804 0.327 -23.193 1.00 2.42 H new ATOM 0 HZ1 LYS A 27 -8.034 -0.121 -23.984 1.00 62.24 H new ATOM 0 HZ2 LYS A 27 -7.124 0.623 -25.209 1.00 62.24 H new ATOM 0 HZ3 LYS A 27 -7.432 -1.045 -25.274 1.00 62.24 H new ATOM 389 N LYS A 28 -1.693 0.729 -20.832 1.00 52.52 N ATOM 390 CA LYS A 28 -0.808 1.886 -20.776 1.00 3.52 C ATOM 391 C LYS A 28 -0.189 2.031 -19.389 1.00 15.50 C ATOM 392 O LYS A 28 0.304 3.100 -19.027 1.00 34.12 O ATOM 393 CB LYS A 28 -1.575 3.160 -21.140 1.00 22.25 C ATOM 394 CG LYS A 28 -1.989 3.224 -22.599 1.00 51.34 C ATOM 395 CD LYS A 28 -0.803 3.517 -23.503 1.00 52.51 C ATOM 396 CE LYS A 28 -1.231 3.660 -24.956 1.00 13.34 C ATOM 397 NZ LYS A 28 -1.899 4.967 -25.211 1.00 63.34 N ATOM 0 H LYS A 28 -2.319 0.638 -20.032 1.00 52.52 H new ATOM 0 HA LYS A 28 -0.006 1.734 -21.498 1.00 3.52 H new ATOM 0 HB2 LYS A 28 -2.465 3.229 -20.515 1.00 22.25 H new ATOM 0 HB3 LYS A 28 -0.955 4.026 -20.909 1.00 22.25 H new ATOM 0 HG2 LYS A 28 -2.445 2.278 -22.891 1.00 51.34 H new ATOM 0 HG3 LYS A 28 -2.747 3.997 -22.730 1.00 51.34 H new ATOM 0 HD2 LYS A 28 -0.312 4.433 -23.175 1.00 52.51 H new ATOM 0 HD3 LYS A 28 -0.071 2.714 -23.416 1.00 52.51 H new ATOM 0 HE2 LYS A 28 -0.359 3.566 -25.603 1.00 13.34 H new ATOM 0 HE3 LYS A 28 -1.910 2.848 -25.216 1.00 13.34 H new ATOM 0 HZ1 LYS A 28 -2.145 5.040 -26.219 1.00 63.34 H new ATOM 0 HZ2 LYS A 28 -2.764 5.032 -24.638 1.00 63.34 H new ATOM 0 HZ3 LYS A 28 -1.255 5.742 -24.955 1.00 63.34 H new ATOM 411 N PHE A 29 -0.218 0.950 -18.617 1.00 60.14 N ATOM 412 CA PHE A 29 0.340 0.957 -17.270 1.00 63.12 C ATOM 413 C PHE A 29 1.492 -0.037 -17.154 1.00 32.55 C ATOM 414 O PHE A 29 2.135 -0.140 -16.109 1.00 32.14 O ATOM 415 CB PHE A 29 -0.744 0.621 -16.244 1.00 51.42 C ATOM 416 CG PHE A 29 -0.786 1.573 -15.083 1.00 43.30 C ATOM 417 CD1 PHE A 29 0.305 1.705 -14.239 1.00 10.12 C ATOM 418 CD2 PHE A 29 -1.916 2.336 -14.835 1.00 62.25 C ATOM 419 CE1 PHE A 29 0.270 2.580 -13.170 1.00 2.44 C ATOM 420 CE2 PHE A 29 -1.956 3.213 -13.768 1.00 72.02 C ATOM 421 CZ PHE A 29 -0.862 3.335 -12.934 1.00 35.55 C ATOM 0 H PHE A 29 -0.622 0.058 -18.901 1.00 60.14 H new ATOM 0 HA PHE A 29 0.724 1.957 -17.068 1.00 63.12 H new ATOM 0 HB2 PHE A 29 -1.715 0.622 -16.740 1.00 51.42 H new ATOM 0 HB3 PHE A 29 -0.578 -0.389 -15.870 1.00 51.42 H new ATOM 0 HD1 PHE A 29 1.193 1.117 -14.419 1.00 10.12 H new ATOM 0 HD2 PHE A 29 -2.775 2.244 -15.483 1.00 62.25 H new ATOM 0 HE1 PHE A 29 1.127 2.673 -12.520 1.00 2.44 H new ATOM 0 HE2 PHE A 29 -2.842 3.803 -13.586 1.00 72.02 H new ATOM 0 HZ PHE A 29 -0.892 4.019 -12.099 1.00 35.55 H new ATOM 431 N PHE A 30 1.746 -0.769 -18.234 1.00 12.24 N ATOM 432 CA PHE A 30 2.818 -1.757 -18.253 1.00 44.41 C ATOM 433 C PHE A 30 4.067 -1.191 -18.924 1.00 11.35 C ATOM 434 O PHE A 30 5.146 -1.777 -18.843 1.00 1.53 O ATOM 435 CB PHE A 30 2.362 -3.021 -18.984 1.00 23.44 C ATOM 436 CG PHE A 30 2.342 -2.876 -20.478 1.00 53.14 C ATOM 437 CD1 PHE A 30 3.464 -3.179 -21.233 1.00 34.23 C ATOM 438 CD2 PHE A 30 1.201 -2.435 -21.129 1.00 74.10 C ATOM 439 CE1 PHE A 30 3.448 -3.047 -22.609 1.00 11.25 C ATOM 440 CE2 PHE A 30 1.179 -2.301 -22.504 1.00 72.24 C ATOM 441 CZ PHE A 30 2.304 -2.606 -23.245 1.00 22.20 C ATOM 0 H PHE A 30 1.224 -0.696 -19.107 1.00 12.24 H new ATOM 0 HA PHE A 30 3.063 -2.010 -17.222 1.00 44.41 H new ATOM 0 HB2 PHE A 30 3.024 -3.845 -18.716 1.00 23.44 H new ATOM 0 HB3 PHE A 30 1.363 -3.290 -18.640 1.00 23.44 H new ATOM 0 HD1 PHE A 30 4.362 -3.522 -20.740 1.00 34.23 H new ATOM 0 HD2 PHE A 30 0.319 -2.193 -20.555 1.00 74.10 H new ATOM 0 HE1 PHE A 30 4.329 -3.288 -23.186 1.00 11.25 H new ATOM 0 HE2 PHE A 30 0.283 -1.958 -22.999 1.00 72.24 H new ATOM 0 HZ PHE A 30 2.289 -2.500 -24.320 1.00 22.20 H new ATOM 451 N GLN A 31 3.910 -0.049 -19.585 1.00 51.22 N ATOM 452 CA GLN A 31 5.024 0.596 -20.271 1.00 32.42 C ATOM 453 C GLN A 31 5.780 1.525 -19.327 1.00 33.11 C ATOM 454 O GLN A 31 6.980 1.747 -19.489 1.00 10.22 O ATOM 455 CB GLN A 31 4.519 1.381 -21.483 1.00 31.24 C ATOM 456 CG GLN A 31 3.267 0.790 -22.112 1.00 4.23 C ATOM 457 CD GLN A 31 2.866 1.500 -23.390 1.00 65.51 C ATOM 458 OE1 GLN A 31 2.801 0.890 -24.458 1.00 34.53 O ATOM 459 NE2 GLN A 31 2.596 2.796 -23.288 1.00 74.54 N ATOM 0 H GLN A 31 3.023 0.449 -19.660 1.00 51.22 H new ATOM 0 HA GLN A 31 5.708 -0.182 -20.611 1.00 32.42 H new ATOM 0 HB2 GLN A 31 4.314 2.408 -21.180 1.00 31.24 H new ATOM 0 HB3 GLN A 31 5.308 1.422 -22.234 1.00 31.24 H new ATOM 0 HG2 GLN A 31 3.435 -0.266 -22.325 1.00 4.23 H new ATOM 0 HG3 GLN A 31 2.446 0.844 -21.398 1.00 4.23 H new ATOM 0 HE21 GLN A 31 2.663 3.261 -22.383 1.00 74.54 H new ATOM 0 HE22 GLN A 31 2.322 3.326 -24.115 1.00 74.54 H new ATOM 468 N ILE A 32 5.070 2.065 -18.342 1.00 72.11 N ATOM 469 CA ILE A 32 5.674 2.970 -17.372 1.00 64.52 C ATOM 470 C ILE A 32 6.009 2.241 -16.075 1.00 63.11 C ATOM 471 O ILE A 32 6.966 2.591 -15.384 1.00 34.24 O ATOM 472 CB ILE A 32 4.747 4.157 -17.056 1.00 13.43 C ATOM 473 CG1 ILE A 32 4.335 4.869 -18.346 1.00 75.32 C ATOM 474 CG2 ILE A 32 5.434 5.127 -16.106 1.00 55.50 C ATOM 475 CD1 ILE A 32 2.952 4.489 -18.830 1.00 44.51 C ATOM 0 H ILE A 32 4.076 1.891 -18.195 1.00 72.11 H new ATOM 0 HA ILE A 32 6.592 3.347 -17.822 1.00 64.52 H new ATOM 0 HB ILE A 32 3.848 3.777 -16.570 1.00 13.43 H new ATOM 0 HG12 ILE A 32 4.372 5.946 -18.185 1.00 75.32 H new ATOM 0 HG13 ILE A 32 5.060 4.639 -19.126 1.00 75.32 H new ATOM 0 HG21 ILE A 32 4.766 5.961 -15.892 1.00 55.50 H new ATOM 0 HG22 ILE A 32 5.682 4.613 -15.177 1.00 55.50 H new ATOM 0 HG23 ILE A 32 6.347 5.503 -16.567 1.00 55.50 H new ATOM 0 HD11 ILE A 32 2.726 5.031 -19.748 1.00 44.51 H new ATOM 0 HD12 ILE A 32 2.916 3.417 -19.024 1.00 44.51 H new ATOM 0 HD13 ILE A 32 2.217 4.745 -18.067 1.00 44.51 H new ATOM 487 N SER A 33 5.216 1.224 -15.752 1.00 41.41 N ATOM 488 CA SER A 33 5.427 0.447 -14.537 1.00 32.33 C ATOM 489 C SER A 33 6.374 -0.721 -14.796 1.00 41.23 C ATOM 490 O SER A 33 7.504 -0.738 -14.309 1.00 73.52 O ATOM 491 CB SER A 33 4.092 -0.074 -14.001 1.00 73.45 C ATOM 492 OG SER A 33 4.178 -0.373 -12.619 1.00 22.40 O ATOM 0 H SER A 33 4.422 0.919 -16.315 1.00 41.41 H new ATOM 0 HA SER A 33 5.880 1.101 -13.792 1.00 32.33 H new ATOM 0 HB2 SER A 33 3.314 0.671 -14.167 1.00 73.45 H new ATOM 0 HB3 SER A 33 3.800 -0.968 -14.552 1.00 73.45 H new ATOM 0 HG SER A 33 3.299 -0.250 -12.203 1.00 22.40 H new ATOM 498 N GLY A 34 5.904 -1.696 -15.568 1.00 40.03 N ATOM 499 CA GLY A 34 6.721 -2.854 -15.880 1.00 33.41 C ATOM 500 C GLY A 34 6.043 -4.158 -15.509 1.00 32.43 C ATOM 501 O GLY A 34 6.687 -5.079 -15.007 1.00 72.43 O ATOM 0 H GLY A 34 4.972 -1.705 -15.983 1.00 40.03 H new ATOM 0 HA2 GLY A 34 6.950 -2.857 -16.946 1.00 33.41 H new ATOM 0 HA3 GLY A 34 7.671 -2.778 -15.351 1.00 33.41 H new ATOM 505 N MET A 35 4.739 -4.236 -15.754 1.00 30.50 N ATOM 506 CA MET A 35 3.974 -5.438 -15.441 1.00 55.23 C ATOM 507 C MET A 35 4.301 -6.561 -16.420 1.00 20.11 C ATOM 508 O MET A 35 4.639 -7.673 -16.013 1.00 0.40 O ATOM 509 CB MET A 35 2.474 -5.136 -15.476 1.00 60.31 C ATOM 510 CG MET A 35 2.095 -3.856 -14.750 1.00 35.12 C ATOM 511 SD MET A 35 0.355 -3.430 -14.957 1.00 12.34 S ATOM 512 CE MET A 35 -0.433 -4.828 -14.161 1.00 52.23 C ATOM 0 H MET A 35 4.190 -3.482 -16.168 1.00 30.50 H new ATOM 0 HA MET A 35 4.249 -5.763 -14.438 1.00 55.23 H new ATOM 0 HB2 MET A 35 2.150 -5.065 -16.514 1.00 60.31 H new ATOM 0 HB3 MET A 35 1.933 -5.971 -15.030 1.00 60.31 H new ATOM 0 HG2 MET A 35 2.314 -3.967 -13.688 1.00 35.12 H new ATOM 0 HG3 MET A 35 2.712 -3.037 -15.119 1.00 35.12 H new ATOM 0 HE1 MET A 35 -1.480 -4.594 -13.968 1.00 52.23 H new ATOM 0 HE2 MET A 35 -0.370 -5.700 -14.812 1.00 52.23 H new ATOM 0 HE3 MET A 35 0.071 -5.041 -13.218 1.00 52.23 H new ATOM 522 N SER A 36 4.198 -6.264 -17.711 1.00 43.33 N ATOM 523 CA SER A 36 4.480 -7.250 -18.748 1.00 33.23 C ATOM 524 C SER A 36 5.867 -7.857 -18.558 1.00 52.42 C ATOM 525 O SER A 36 6.090 -9.031 -18.852 1.00 74.32 O ATOM 526 CB SER A 36 4.376 -6.610 -20.133 1.00 54.50 C ATOM 527 OG SER A 36 5.563 -5.909 -20.461 1.00 71.14 O ATOM 0 H SER A 36 3.921 -5.348 -18.064 1.00 43.33 H new ATOM 0 HA SER A 36 3.740 -8.046 -18.668 1.00 33.23 H new ATOM 0 HB2 SER A 36 4.187 -7.381 -20.880 1.00 54.50 H new ATOM 0 HB3 SER A 36 3.527 -5.926 -20.158 1.00 54.50 H new ATOM 0 HG SER A 36 5.472 -5.510 -21.352 1.00 71.14 H new ATOM 533 N LYS A 37 6.797 -7.047 -18.065 1.00 2.43 N ATOM 534 CA LYS A 37 8.163 -7.501 -17.834 1.00 3.34 C ATOM 535 C LYS A 37 8.198 -8.611 -16.788 1.00 42.30 C ATOM 536 O LYS A 37 9.186 -9.337 -16.671 1.00 15.22 O ATOM 537 CB LYS A 37 9.042 -6.332 -17.381 1.00 54.14 C ATOM 538 CG LYS A 37 8.825 -5.062 -18.186 1.00 2.33 C ATOM 539 CD LYS A 37 8.912 -5.326 -19.680 1.00 4.05 C ATOM 540 CE LYS A 37 9.408 -4.102 -20.434 1.00 65.00 C ATOM 541 NZ LYS A 37 8.386 -3.020 -20.470 1.00 32.15 N ATOM 0 H LYS A 37 6.630 -6.072 -17.817 1.00 2.43 H new ATOM 0 HA LYS A 37 8.551 -7.897 -18.773 1.00 3.34 H new ATOM 0 HB2 LYS A 37 8.843 -6.125 -16.330 1.00 54.14 H new ATOM 0 HB3 LYS A 37 10.089 -6.625 -17.455 1.00 54.14 H new ATOM 0 HG2 LYS A 37 7.849 -4.641 -17.946 1.00 2.33 H new ATOM 0 HG3 LYS A 37 9.571 -4.319 -17.903 1.00 2.33 H new ATOM 0 HD2 LYS A 37 9.583 -6.165 -19.864 1.00 4.05 H new ATOM 0 HD3 LYS A 37 7.931 -5.614 -20.057 1.00 4.05 H new ATOM 0 HE2 LYS A 37 10.316 -3.728 -19.961 1.00 65.00 H new ATOM 0 HE3 LYS A 37 9.672 -4.386 -21.453 1.00 65.00 H new ATOM 0 HZ1 LYS A 37 8.763 -2.204 -20.993 1.00 32.15 H new ATOM 0 HZ2 LYS A 37 7.528 -3.368 -20.944 1.00 32.15 H new ATOM 0 HZ3 LYS A 37 8.152 -2.731 -19.499 1.00 32.15 H new ATOM 555 N LYS A 38 7.114 -8.738 -16.031 1.00 31.23 N ATOM 556 CA LYS A 38 7.018 -9.761 -14.996 1.00 63.54 C ATOM 557 C LYS A 38 6.496 -11.073 -15.575 1.00 14.52 C ATOM 558 O LYS A 38 6.481 -11.263 -16.791 1.00 20.42 O ATOM 559 CB LYS A 38 6.101 -9.289 -13.866 1.00 25.01 C ATOM 560 CG LYS A 38 6.391 -7.873 -13.400 1.00 12.33 C ATOM 561 CD LYS A 38 7.739 -7.779 -12.705 1.00 40.32 C ATOM 562 CE LYS A 38 8.718 -6.930 -13.501 1.00 42.34 C ATOM 563 NZ LYS A 38 10.132 -7.238 -13.150 1.00 42.43 N ATOM 0 H LYS A 38 6.289 -8.145 -16.115 1.00 31.23 H new ATOM 0 HA LYS A 38 8.017 -9.933 -14.596 1.00 63.54 H new ATOM 0 HB2 LYS A 38 5.065 -9.348 -14.201 1.00 25.01 H new ATOM 0 HB3 LYS A 38 6.201 -9.969 -13.020 1.00 25.01 H new ATOM 0 HG2 LYS A 38 6.374 -7.197 -14.255 1.00 12.33 H new ATOM 0 HG3 LYS A 38 5.606 -7.545 -12.719 1.00 12.33 H new ATOM 0 HD2 LYS A 38 7.608 -7.350 -11.711 1.00 40.32 H new ATOM 0 HD3 LYS A 38 8.150 -8.779 -12.569 1.00 40.32 H new ATOM 0 HE2 LYS A 38 8.563 -7.100 -14.566 1.00 42.34 H new ATOM 0 HE3 LYS A 38 8.519 -5.875 -13.314 1.00 42.34 H new ATOM 0 HZ1 LYS A 38 10.768 -6.639 -13.714 1.00 42.43 H new ATOM 0 HZ2 LYS A 38 10.287 -7.052 -12.139 1.00 42.43 H new ATOM 0 HZ3 LYS A 38 10.330 -8.239 -13.352 1.00 42.43 H new ATOM 577 N SER A 39 6.066 -11.972 -14.696 1.00 21.32 N ATOM 578 CA SER A 39 5.544 -13.266 -15.120 1.00 25.54 C ATOM 579 C SER A 39 4.110 -13.459 -14.636 1.00 25.15 C ATOM 580 O SER A 39 3.667 -12.801 -13.695 1.00 5.44 O ATOM 581 CB SER A 39 6.430 -14.396 -14.589 1.00 11.52 C ATOM 582 OG SER A 39 7.586 -14.558 -15.392 1.00 51.32 O ATOM 0 H SER A 39 6.069 -11.828 -13.686 1.00 21.32 H new ATOM 0 HA SER A 39 5.548 -13.292 -16.210 1.00 25.54 H new ATOM 0 HB2 SER A 39 6.724 -14.180 -13.562 1.00 11.52 H new ATOM 0 HB3 SER A 39 5.864 -15.327 -14.569 1.00 11.52 H new ATOM 0 HG SER A 39 8.136 -15.284 -15.031 1.00 51.32 H new ATOM 588 N SER A 40 3.390 -14.367 -15.286 1.00 51.13 N ATOM 589 CA SER A 40 2.004 -14.645 -14.926 1.00 5.31 C ATOM 590 C SER A 40 1.887 -14.986 -13.444 1.00 13.35 C ATOM 591 O SER A 40 0.854 -14.743 -12.820 1.00 34.33 O ATOM 592 CB SER A 40 1.457 -15.796 -15.771 1.00 33.41 C ATOM 593 OG SER A 40 2.508 -16.584 -16.303 1.00 1.32 O ATOM 0 H SER A 40 3.743 -14.923 -16.065 1.00 51.13 H new ATOM 0 HA SER A 40 1.416 -13.749 -15.122 1.00 5.31 H new ATOM 0 HB2 SER A 40 0.804 -16.420 -15.161 1.00 33.41 H new ATOM 0 HB3 SER A 40 0.850 -15.398 -16.584 1.00 33.41 H new ATOM 0 HG SER A 40 2.131 -17.314 -16.838 1.00 1.32 H new ATOM 599 N SER A 41 2.953 -15.550 -12.886 1.00 2.00 N ATOM 600 CA SER A 41 2.970 -15.929 -11.478 1.00 15.51 C ATOM 601 C SER A 41 3.175 -14.706 -10.589 1.00 13.31 C ATOM 602 O SER A 41 2.723 -14.675 -9.445 1.00 13.13 O ATOM 603 CB SER A 41 4.074 -16.954 -11.216 1.00 61.35 C ATOM 604 OG SER A 41 3.761 -18.203 -11.809 1.00 42.13 O ATOM 0 H SER A 41 3.817 -15.755 -13.388 1.00 2.00 H new ATOM 0 HA SER A 41 2.005 -16.376 -11.236 1.00 15.51 H new ATOM 0 HB2 SER A 41 5.019 -16.585 -11.615 1.00 61.35 H new ATOM 0 HB3 SER A 41 4.209 -17.081 -10.142 1.00 61.35 H new ATOM 0 HG SER A 41 4.483 -18.841 -11.629 1.00 42.13 H new ATOM 610 N GLN A 42 3.860 -13.701 -11.125 1.00 13.32 N ATOM 611 CA GLN A 42 4.126 -12.476 -10.380 1.00 52.53 C ATOM 612 C GLN A 42 2.962 -11.498 -10.507 1.00 42.22 C ATOM 613 O GLN A 42 2.650 -10.762 -9.570 1.00 22.55 O ATOM 614 CB GLN A 42 5.415 -11.820 -10.879 1.00 72.23 C ATOM 615 CG GLN A 42 6.646 -12.212 -10.078 1.00 51.31 C ATOM 616 CD GLN A 42 7.865 -11.386 -10.440 1.00 14.20 C ATOM 617 OE1 GLN A 42 7.839 -10.106 -10.087 1.00 61.24 O flip ATOM 618 NE2 GLN A 42 8.819 -11.892 -11.030 1.00 53.11 N flip ATOM 0 H GLN A 42 4.240 -13.711 -12.071 1.00 13.32 H new ATOM 0 HA GLN A 42 4.244 -12.738 -9.329 1.00 52.53 H new ATOM 0 HB2 GLN A 42 5.570 -12.091 -11.923 1.00 72.23 H new ATOM 0 HB3 GLN A 42 5.299 -10.737 -10.844 1.00 72.23 H new ATOM 0 HG2 GLN A 42 6.435 -12.095 -9.015 1.00 51.31 H new ATOM 0 HG3 GLN A 42 6.864 -13.267 -10.246 1.00 51.31 H new ATOM 0 HE21 GLN A 42 8.797 -12.880 -11.282 1.00 53.11 H new ATOM 0 HE22 GLN A 42 9.632 -11.323 -11.267 1.00 53.11 H new ATOM 627 N LEU A 43 2.324 -11.494 -11.672 1.00 53.11 N ATOM 628 CA LEU A 43 1.194 -10.606 -11.922 1.00 53.23 C ATOM 629 C LEU A 43 -0.041 -11.066 -11.154 1.00 72.24 C ATOM 630 O LEU A 43 -0.778 -10.253 -10.597 1.00 53.30 O ATOM 631 CB LEU A 43 0.886 -10.550 -13.420 1.00 13.44 C ATOM 632 CG LEU A 43 2.072 -10.253 -14.338 1.00 73.12 C ATOM 633 CD1 LEU A 43 1.925 -10.997 -15.657 1.00 14.34 C ATOM 634 CD2 LEU A 43 2.198 -8.756 -14.579 1.00 42.03 C ATOM 0 H LEU A 43 2.570 -12.095 -12.458 1.00 53.11 H new ATOM 0 HA LEU A 43 1.464 -9.609 -11.575 1.00 53.23 H new ATOM 0 HB2 LEU A 43 0.452 -11.505 -13.717 1.00 13.44 H new ATOM 0 HB3 LEU A 43 0.124 -9.788 -13.586 1.00 13.44 H new ATOM 0 HG LEU A 43 2.982 -10.600 -13.848 1.00 73.12 H new ATOM 0 HD11 LEU A 43 2.778 -10.774 -16.298 1.00 14.34 H new ATOM 0 HD12 LEU A 43 1.885 -12.070 -15.467 1.00 14.34 H new ATOM 0 HD13 LEU A 43 1.007 -10.681 -16.152 1.00 14.34 H new ATOM 0 HD21 LEU A 43 3.047 -8.563 -15.234 1.00 42.03 H new ATOM 0 HD22 LEU A 43 1.286 -8.385 -15.048 1.00 42.03 H new ATOM 0 HD23 LEU A 43 2.351 -8.246 -13.628 1.00 42.03 H new ATOM 646 N LYS A 44 -0.260 -12.376 -11.127 1.00 73.44 N ATOM 647 CA LYS A 44 -1.403 -12.947 -10.425 1.00 75.21 C ATOM 648 C LYS A 44 -1.377 -12.571 -8.947 1.00 53.22 C ATOM 649 O LYS A 44 -2.399 -12.634 -8.264 1.00 4.12 O ATOM 650 CB LYS A 44 -1.411 -14.470 -10.574 1.00 75.24 C ATOM 651 CG LYS A 44 -0.527 -15.185 -9.568 1.00 4.33 C ATOM 652 CD LYS A 44 -0.733 -16.689 -9.613 1.00 65.53 C ATOM 653 CE LYS A 44 -0.483 -17.244 -11.007 1.00 64.33 C ATOM 654 NZ LYS A 44 0.486 -18.375 -10.989 1.00 32.44 N ATOM 0 H LYS A 44 0.340 -13.063 -11.584 1.00 73.44 H new ATOM 0 HA LYS A 44 -2.311 -12.540 -10.870 1.00 75.21 H new ATOM 0 HB2 LYS A 44 -2.434 -14.831 -10.468 1.00 75.24 H new ATOM 0 HB3 LYS A 44 -1.084 -14.730 -11.581 1.00 75.24 H new ATOM 0 HG2 LYS A 44 0.518 -14.954 -9.772 1.00 4.33 H new ATOM 0 HG3 LYS A 44 -0.745 -14.817 -8.565 1.00 4.33 H new ATOM 0 HD2 LYS A 44 -0.061 -17.171 -8.902 1.00 65.53 H new ATOM 0 HD3 LYS A 44 -1.750 -16.928 -9.302 1.00 65.53 H new ATOM 0 HE2 LYS A 44 -1.426 -17.581 -11.438 1.00 64.33 H new ATOM 0 HE3 LYS A 44 -0.103 -16.451 -11.651 1.00 64.33 H new ATOM 0 HZ1 LYS A 44 0.862 -18.525 -11.947 1.00 32.44 H new ATOM 0 HZ2 LYS A 44 1.268 -18.152 -10.341 1.00 32.44 H new ATOM 0 HZ3 LYS A 44 0.005 -19.239 -10.666 1.00 32.44 H new ATOM 668 N GLU A 45 -0.204 -12.178 -8.462 1.00 24.44 N ATOM 669 CA GLU A 45 -0.047 -11.791 -7.065 1.00 25.45 C ATOM 670 C GLU A 45 -0.740 -10.461 -6.787 1.00 51.33 C ATOM 671 O GLU A 45 -1.452 -10.315 -5.793 1.00 24.11 O ATOM 672 CB GLU A 45 1.437 -11.691 -6.704 1.00 1.31 C ATOM 673 CG GLU A 45 2.183 -13.010 -6.820 1.00 15.42 C ATOM 674 CD GLU A 45 2.277 -13.745 -5.497 1.00 1.41 C ATOM 675 OE1 GLU A 45 2.472 -13.078 -4.460 1.00 4.44 O ATOM 676 OE2 GLU A 45 2.155 -14.988 -5.499 1.00 43.45 O ATOM 0 H GLU A 45 0.651 -12.119 -9.015 1.00 24.44 H new ATOM 0 HA GLU A 45 -0.513 -12.559 -6.448 1.00 25.45 H new ATOM 0 HB2 GLU A 45 1.912 -10.957 -7.355 1.00 1.31 H new ATOM 0 HB3 GLU A 45 1.530 -11.320 -5.683 1.00 1.31 H new ATOM 0 HG2 GLU A 45 1.680 -13.645 -7.549 1.00 15.42 H new ATOM 0 HG3 GLU A 45 3.187 -12.823 -7.200 1.00 15.42 H new ATOM 683 N ILE A 46 -0.527 -9.493 -7.673 1.00 23.41 N ATOM 684 CA ILE A 46 -1.131 -8.175 -7.524 1.00 71.42 C ATOM 685 C ILE A 46 -2.629 -8.284 -7.261 1.00 73.14 C ATOM 686 O ILE A 46 -3.200 -7.484 -6.520 1.00 52.44 O ATOM 687 CB ILE A 46 -0.902 -7.307 -8.775 1.00 55.23 C ATOM 688 CG1 ILE A 46 0.594 -7.071 -8.992 1.00 55.54 C ATOM 689 CG2 ILE A 46 -1.640 -5.983 -8.643 1.00 3.43 C ATOM 690 CD1 ILE A 46 1.049 -7.342 -10.409 1.00 72.21 C ATOM 0 H ILE A 46 0.059 -9.597 -8.501 1.00 23.41 H new ATOM 0 HA ILE A 46 -0.648 -7.701 -6.670 1.00 71.42 H new ATOM 0 HB ILE A 46 -1.296 -7.835 -9.643 1.00 55.23 H new ATOM 0 HG12 ILE A 46 0.832 -6.039 -8.734 1.00 55.54 H new ATOM 0 HG13 ILE A 46 1.157 -7.708 -8.310 1.00 55.54 H new ATOM 0 HG21 ILE A 46 -1.469 -5.380 -9.535 1.00 3.43 H new ATOM 0 HG22 ILE A 46 -2.708 -6.171 -8.532 1.00 3.43 H new ATOM 0 HG23 ILE A 46 -1.273 -5.448 -7.767 1.00 3.43 H new ATOM 0 HD11 ILE A 46 2.120 -7.154 -10.490 1.00 72.21 H new ATOM 0 HD12 ILE A 46 0.843 -8.381 -10.665 1.00 72.21 H new ATOM 0 HD13 ILE A 46 0.513 -6.686 -11.095 1.00 72.21 H new ATOM 702 N PHE A 47 -3.261 -9.281 -7.872 1.00 62.04 N ATOM 703 CA PHE A 47 -4.693 -9.496 -7.704 1.00 53.22 C ATOM 704 C PHE A 47 -5.056 -9.612 -6.227 1.00 1.05 C ATOM 705 O PHE A 47 -6.077 -9.085 -5.784 1.00 22.42 O ATOM 706 CB PHE A 47 -5.132 -10.758 -8.449 1.00 72.04 C ATOM 707 CG PHE A 47 -6.189 -11.543 -7.727 1.00 75.43 C ATOM 708 CD1 PHE A 47 -5.840 -12.509 -6.797 1.00 1.31 C ATOM 709 CD2 PHE A 47 -7.533 -11.317 -7.979 1.00 41.53 C ATOM 710 CE1 PHE A 47 -6.810 -13.233 -6.130 1.00 54.03 C ATOM 711 CE2 PHE A 47 -8.508 -12.037 -7.316 1.00 23.34 C ATOM 712 CZ PHE A 47 -8.146 -12.997 -6.391 1.00 30.51 C ATOM 0 H PHE A 47 -2.803 -9.953 -8.488 1.00 62.04 H new ATOM 0 HA PHE A 47 -5.215 -8.635 -8.122 1.00 53.22 H new ATOM 0 HB2 PHE A 47 -5.508 -10.477 -9.433 1.00 72.04 H new ATOM 0 HB3 PHE A 47 -4.263 -11.396 -8.610 1.00 72.04 H new ATOM 0 HD1 PHE A 47 -4.797 -12.699 -6.591 1.00 1.31 H new ATOM 0 HD2 PHE A 47 -7.822 -10.569 -8.702 1.00 41.53 H new ATOM 0 HE1 PHE A 47 -6.524 -13.982 -5.406 1.00 54.03 H new ATOM 0 HE2 PHE A 47 -9.552 -11.850 -7.521 1.00 23.34 H new ATOM 0 HZ PHE A 47 -8.906 -13.562 -5.873 1.00 30.51 H new ATOM 722 N ARG A 48 -4.212 -10.306 -5.469 1.00 54.32 N ATOM 723 CA ARG A 48 -4.444 -10.493 -4.042 1.00 71.11 C ATOM 724 C ARG A 48 -4.408 -9.157 -3.305 1.00 74.34 C ATOM 725 O ARG A 48 -4.836 -9.060 -2.155 1.00 34.31 O ATOM 726 CB ARG A 48 -3.397 -11.440 -3.454 1.00 22.33 C ATOM 727 CG ARG A 48 -3.991 -12.685 -2.816 1.00 34.14 C ATOM 728 CD ARG A 48 -4.821 -12.340 -1.589 1.00 54.00 C ATOM 729 NE ARG A 48 -4.250 -12.899 -0.367 1.00 35.23 N ATOM 730 CZ ARG A 48 -4.571 -12.481 0.853 1.00 53.04 C ATOM 731 NH1 ARG A 48 -5.454 -11.505 1.011 1.00 14.12 N ATOM 732 NH2 ARG A 48 -4.009 -13.040 1.916 1.00 3.25 N ATOM 0 H ARG A 48 -3.362 -10.748 -5.820 1.00 54.32 H new ATOM 0 HA ARG A 48 -5.434 -10.932 -3.915 1.00 71.11 H new ATOM 0 HB2 ARG A 48 -2.707 -11.740 -4.243 1.00 22.33 H new ATOM 0 HB3 ARG A 48 -2.813 -10.903 -2.707 1.00 22.33 H new ATOM 0 HG2 ARG A 48 -4.614 -13.206 -3.543 1.00 34.14 H new ATOM 0 HG3 ARG A 48 -3.190 -13.368 -2.534 1.00 34.14 H new ATOM 0 HD2 ARG A 48 -4.893 -11.257 -1.493 1.00 54.00 H new ATOM 0 HD3 ARG A 48 -5.836 -12.716 -1.720 1.00 54.00 H new ATOM 0 HE ARG A 48 -3.567 -13.652 -0.454 1.00 35.23 H new ATOM 0 HH11 ARG A 48 -5.888 -11.073 0.195 1.00 14.12 H new ATOM 0 HH12 ARG A 48 -5.699 -11.186 1.948 1.00 14.12 H new ATOM 0 HH21 ARG A 48 -3.330 -13.792 1.798 1.00 3.25 H new ATOM 0 HH22 ARG A 48 -4.256 -12.718 2.852 1.00 3.25 H new ATOM 746 N ILE A 49 -3.895 -8.131 -3.976 1.00 31.41 N ATOM 747 CA ILE A 49 -3.804 -6.802 -3.385 1.00 72.01 C ATOM 748 C ILE A 49 -4.949 -5.912 -3.856 1.00 14.14 C ATOM 749 O ILE A 49 -5.167 -4.825 -3.318 1.00 34.54 O ATOM 750 CB ILE A 49 -2.466 -6.123 -3.730 1.00 42.25 C ATOM 751 CG1 ILE A 49 -1.298 -7.062 -3.423 1.00 22.20 C ATOM 752 CG2 ILE A 49 -2.320 -4.818 -2.961 1.00 60.24 C ATOM 753 CD1 ILE A 49 -1.238 -7.498 -1.976 1.00 4.34 C ATOM 0 H ILE A 49 -3.536 -8.195 -4.929 1.00 31.41 H new ATOM 0 HA ILE A 49 -3.868 -6.932 -2.305 1.00 72.01 H new ATOM 0 HB ILE A 49 -2.455 -5.897 -4.796 1.00 42.25 H new ATOM 0 HG12 ILE A 49 -1.376 -7.945 -4.057 1.00 22.20 H new ATOM 0 HG13 ILE A 49 -0.364 -6.564 -3.683 1.00 22.20 H new ATOM 0 HG21 ILE A 49 -1.369 -4.350 -3.216 1.00 60.24 H new ATOM 0 HG22 ILE A 49 -3.137 -4.147 -3.225 1.00 60.24 H new ATOM 0 HG23 ILE A 49 -2.349 -5.021 -1.891 1.00 60.24 H new ATOM 0 HD11 ILE A 49 -0.386 -8.162 -1.831 1.00 4.34 H new ATOM 0 HD12 ILE A 49 -1.129 -6.622 -1.336 1.00 4.34 H new ATOM 0 HD13 ILE A 49 -2.156 -8.025 -1.716 1.00 4.34 H new ATOM 765 N LEU A 50 -5.680 -6.380 -4.862 1.00 1.33 N ATOM 766 CA LEU A 50 -6.806 -5.627 -5.405 1.00 24.15 C ATOM 767 C LEU A 50 -8.121 -6.098 -4.793 1.00 31.22 C ATOM 768 O LEU A 50 -9.085 -5.338 -4.708 1.00 23.11 O ATOM 769 CB LEU A 50 -6.856 -5.774 -6.926 1.00 52.33 C ATOM 770 CG LEU A 50 -6.130 -4.694 -7.729 1.00 53.41 C ATOM 771 CD1 LEU A 50 -4.769 -5.193 -8.186 1.00 44.24 C ATOM 772 CD2 LEU A 50 -6.970 -4.261 -8.922 1.00 70.13 C ATOM 0 H LEU A 50 -5.513 -7.277 -5.318 1.00 1.33 H new ATOM 0 HA LEU A 50 -6.665 -4.576 -5.152 1.00 24.15 H new ATOM 0 HB2 LEU A 50 -6.432 -6.742 -7.191 1.00 52.33 H new ATOM 0 HB3 LEU A 50 -7.901 -5.788 -7.235 1.00 52.33 H new ATOM 0 HG LEU A 50 -5.979 -3.829 -7.084 1.00 53.41 H new ATOM 0 HD11 LEU A 50 -4.267 -4.411 -8.756 1.00 44.24 H new ATOM 0 HD12 LEU A 50 -4.166 -5.452 -7.316 1.00 44.24 H new ATOM 0 HD13 LEU A 50 -4.897 -6.074 -8.814 1.00 44.24 H new ATOM 0 HD21 LEU A 50 -6.438 -3.492 -9.482 1.00 70.13 H new ATOM 0 HD22 LEU A 50 -7.153 -5.119 -9.569 1.00 70.13 H new ATOM 0 HD23 LEU A 50 -7.921 -3.861 -8.571 1.00 70.13 H new ATOM 784 N ASP A 51 -8.152 -7.357 -4.366 1.00 54.43 N ATOM 785 CA ASP A 51 -9.349 -7.929 -3.760 1.00 52.25 C ATOM 786 C ASP A 51 -9.671 -7.241 -2.437 1.00 23.52 C ATOM 787 O ASP A 51 -8.869 -7.263 -1.504 1.00 30.20 O ATOM 788 CB ASP A 51 -9.164 -9.431 -3.536 1.00 53.13 C ATOM 789 CG ASP A 51 -10.481 -10.181 -3.542 1.00 24.23 C ATOM 790 OD1 ASP A 51 -11.578 -9.453 -3.714 1.00 62.31 O ATOM 791 OD2 ASP A 51 -10.511 -11.403 -3.393 1.00 73.21 O ATOM 0 H ASP A 51 -7.362 -8.000 -4.429 1.00 54.43 H new ATOM 0 HA ASP A 51 -10.183 -7.771 -4.443 1.00 52.25 H new ATOM 0 HB2 ASP A 51 -8.515 -9.835 -4.313 1.00 53.13 H new ATOM 0 HB3 ASP A 51 -8.660 -9.594 -2.584 1.00 53.13 H new ATOM 796 N ASN A 52 -10.850 -6.632 -2.364 1.00 22.54 N ATOM 797 CA ASN A 52 -11.278 -5.939 -1.154 1.00 42.43 C ATOM 798 C ASN A 52 -12.369 -6.725 -0.433 1.00 42.44 C ATOM 799 O ASN A 52 -13.095 -6.179 0.398 1.00 63.20 O ATOM 800 CB ASN A 52 -11.786 -4.537 -1.498 1.00 71.14 C ATOM 801 CG ASN A 52 -10.789 -3.455 -1.133 1.00 1.42 C ATOM 802 OD1 ASN A 52 -11.066 -2.598 -0.293 1.00 41.00 O ATOM 803 ND2 ASN A 52 -9.621 -3.489 -1.764 1.00 11.41 N ATOM 0 H ASN A 52 -11.526 -6.604 -3.128 1.00 22.54 H new ATOM 0 HA ASN A 52 -10.418 -5.854 -0.490 1.00 42.43 H new ATOM 0 HB2 ASN A 52 -12.002 -4.483 -2.565 1.00 71.14 H new ATOM 0 HB3 ASN A 52 -12.724 -4.355 -0.974 1.00 71.14 H new ATOM 0 HD21 ASN A 52 -8.910 -2.786 -1.560 1.00 11.41 H new ATOM 0 HD22 ASN A 52 -9.435 -4.218 -2.453 1.00 11.41 H new ATOM 810 N ASP A 53 -12.478 -8.008 -0.757 1.00 65.35 N ATOM 811 CA ASP A 53 -13.478 -8.871 -0.140 1.00 14.40 C ATOM 812 C ASP A 53 -13.022 -10.326 -0.150 1.00 73.31 C ATOM 813 O ASP A 53 -13.781 -11.226 0.210 1.00 62.11 O ATOM 814 CB ASP A 53 -14.817 -8.737 -0.868 1.00 63.45 C ATOM 815 CG ASP A 53 -14.646 -8.539 -2.362 1.00 3.33 C ATOM 816 OD1 ASP A 53 -13.981 -7.558 -2.758 1.00 15.11 O ATOM 817 OD2 ASP A 53 -15.175 -9.364 -3.134 1.00 74.41 O ATOM 0 H ASP A 53 -11.886 -8.474 -1.444 1.00 65.35 H new ATOM 0 HA ASP A 53 -13.604 -8.557 0.896 1.00 14.40 H new ATOM 0 HB2 ASP A 53 -15.416 -9.630 -0.689 1.00 63.45 H new ATOM 0 HB3 ASP A 53 -15.370 -7.894 -0.454 1.00 63.45 H new ATOM 822 N GLN A 54 -11.780 -10.549 -0.566 1.00 3.12 N ATOM 823 CA GLN A 54 -11.224 -11.896 -0.624 1.00 40.34 C ATOM 824 C GLN A 54 -12.191 -12.854 -1.311 1.00 71.14 C ATOM 825 O GLN A 54 -12.143 -14.064 -1.091 1.00 64.20 O ATOM 826 CB GLN A 54 -10.902 -12.399 0.784 1.00 74.12 C ATOM 827 CG GLN A 54 -10.537 -11.291 1.758 1.00 41.54 C ATOM 828 CD GLN A 54 -9.279 -10.549 1.352 1.00 43.32 C ATOM 829 OE1 GLN A 54 -8.167 -11.054 1.512 1.00 73.34 O ATOM 830 NE2 GLN A 54 -9.447 -9.342 0.823 1.00 22.31 N ATOM 0 H GLN A 54 -11.139 -9.815 -0.868 1.00 3.12 H new ATOM 0 HA GLN A 54 -10.304 -11.858 -1.207 1.00 40.34 H new ATOM 0 HB2 GLN A 54 -11.763 -12.943 1.172 1.00 74.12 H new ATOM 0 HB3 GLN A 54 -10.076 -13.108 0.727 1.00 74.12 H new ATOM 0 HG2 GLN A 54 -11.365 -10.585 1.826 1.00 41.54 H new ATOM 0 HG3 GLN A 54 -10.398 -11.717 2.752 1.00 41.54 H new ATOM 0 HE21 GLN A 54 -10.386 -8.962 0.708 1.00 22.31 H new ATOM 0 HE22 GLN A 54 -8.637 -8.796 0.531 1.00 22.31 H new ATOM 839 N SER A 55 -13.069 -12.305 -2.144 1.00 52.15 N ATOM 840 CA SER A 55 -14.051 -13.111 -2.861 1.00 1.22 C ATOM 841 C SER A 55 -13.380 -13.946 -3.947 1.00 24.23 C ATOM 842 O SER A 55 -13.973 -14.882 -4.482 1.00 2.15 O ATOM 843 CB SER A 55 -15.123 -12.214 -3.482 1.00 14.35 C ATOM 844 OG SER A 55 -14.572 -11.379 -4.485 1.00 61.23 O ATOM 0 H SER A 55 -13.121 -11.305 -2.339 1.00 52.15 H new ATOM 0 HA SER A 55 -14.521 -13.786 -2.146 1.00 1.22 H new ATOM 0 HB2 SER A 55 -15.913 -12.830 -3.911 1.00 14.35 H new ATOM 0 HB3 SER A 55 -15.583 -11.601 -2.707 1.00 14.35 H new ATOM 0 HG SER A 55 -14.624 -10.444 -4.197 1.00 61.23 H new ATOM 850 N GLY A 56 -12.137 -13.600 -4.268 1.00 5.15 N ATOM 851 CA GLY A 56 -11.404 -14.327 -5.288 1.00 1.41 C ATOM 852 C GLY A 56 -11.359 -13.584 -6.609 1.00 23.33 C ATOM 853 O GLY A 56 -10.623 -13.967 -7.519 1.00 54.32 O ATOM 0 H GLY A 56 -11.625 -12.829 -3.840 1.00 5.15 H new ATOM 0 HA2 GLY A 56 -10.387 -14.507 -4.941 1.00 1.41 H new ATOM 0 HA3 GLY A 56 -11.867 -15.302 -5.439 1.00 1.41 H new ATOM 857 N PHE A 57 -12.148 -12.520 -6.715 1.00 61.41 N ATOM 858 CA PHE A 57 -12.197 -11.724 -7.936 1.00 0.14 C ATOM 859 C PHE A 57 -12.346 -10.240 -7.611 1.00 71.43 C ATOM 860 O PHE A 57 -12.634 -9.869 -6.473 1.00 24.00 O ATOM 861 CB PHE A 57 -13.356 -12.183 -8.823 1.00 11.41 C ATOM 862 CG PHE A 57 -13.359 -13.661 -9.089 1.00 42.20 C ATOM 863 CD1 PHE A 57 -14.023 -14.530 -8.239 1.00 74.01 C ATOM 864 CD2 PHE A 57 -12.696 -14.181 -10.189 1.00 20.20 C ATOM 865 CE1 PHE A 57 -14.028 -15.891 -8.481 1.00 51.23 C ATOM 866 CE2 PHE A 57 -12.698 -15.541 -10.436 1.00 44.15 C ATOM 867 CZ PHE A 57 -13.363 -16.397 -9.581 1.00 14.10 C ATOM 0 H PHE A 57 -12.762 -12.189 -5.971 1.00 61.41 H new ATOM 0 HA PHE A 57 -11.259 -11.868 -8.473 1.00 0.14 H new ATOM 0 HB2 PHE A 57 -14.298 -11.905 -8.349 1.00 11.41 H new ATOM 0 HB3 PHE A 57 -13.308 -11.651 -9.773 1.00 11.41 H new ATOM 0 HD1 PHE A 57 -14.543 -14.140 -7.377 1.00 74.01 H new ATOM 0 HD2 PHE A 57 -12.172 -13.517 -10.860 1.00 20.20 H new ATOM 0 HE1 PHE A 57 -14.551 -16.558 -7.811 1.00 51.23 H new ATOM 0 HE2 PHE A 57 -12.179 -15.934 -11.298 1.00 44.15 H new ATOM 0 HZ PHE A 57 -13.363 -17.460 -9.772 1.00 14.10 H new ATOM 877 N ILE A 58 -12.148 -9.398 -8.619 1.00 51.24 N ATOM 878 CA ILE A 58 -12.261 -7.955 -8.442 1.00 61.42 C ATOM 879 C ILE A 58 -13.375 -7.380 -9.311 1.00 24.24 C ATOM 880 O ILE A 58 -13.208 -7.210 -10.518 1.00 2.33 O ATOM 881 CB ILE A 58 -10.939 -7.241 -8.782 1.00 74.43 C ATOM 882 CG1 ILE A 58 -9.800 -7.794 -7.924 1.00 21.42 C ATOM 883 CG2 ILE A 58 -11.081 -5.740 -8.581 1.00 33.14 C ATOM 884 CD1 ILE A 58 -8.472 -7.849 -8.645 1.00 45.02 C ATOM 0 H ILE A 58 -11.909 -9.689 -9.567 1.00 51.24 H new ATOM 0 HA ILE A 58 -12.498 -7.783 -7.392 1.00 61.42 H new ATOM 0 HB ILE A 58 -10.702 -7.426 -9.830 1.00 74.43 H new ATOM 0 HG12 ILE A 58 -9.695 -7.176 -7.032 1.00 21.42 H new ATOM 0 HG13 ILE A 58 -10.063 -8.797 -7.588 1.00 21.42 H new ATOM 0 HG21 ILE A 58 -10.139 -5.249 -8.825 1.00 33.14 H new ATOM 0 HG22 ILE A 58 -11.868 -5.359 -9.232 1.00 33.14 H new ATOM 0 HG23 ILE A 58 -11.338 -5.535 -7.542 1.00 33.14 H new ATOM 0 HD11 ILE A 58 -7.711 -8.251 -7.976 1.00 45.02 H new ATOM 0 HD12 ILE A 58 -8.560 -8.491 -9.522 1.00 45.02 H new ATOM 0 HD13 ILE A 58 -8.186 -6.845 -8.958 1.00 45.02 H new ATOM 896 N GLU A 59 -14.510 -7.082 -8.687 1.00 1.33 N ATOM 897 CA GLU A 59 -15.651 -6.524 -9.403 1.00 61.44 C ATOM 898 C GLU A 59 -15.444 -5.039 -9.685 1.00 2.13 C ATOM 899 O GLU A 59 -14.576 -4.400 -9.091 1.00 13.24 O ATOM 900 CB GLU A 59 -16.936 -6.728 -8.598 1.00 51.14 C ATOM 901 CG GLU A 59 -17.036 -8.097 -7.948 1.00 74.51 C ATOM 902 CD GLU A 59 -16.484 -8.115 -6.536 1.00 11.30 C ATOM 903 OE1 GLU A 59 -17.120 -7.517 -5.642 1.00 64.44 O ATOM 904 OE2 GLU A 59 -15.416 -8.726 -6.325 1.00 23.20 O ATOM 0 H GLU A 59 -14.664 -7.218 -7.688 1.00 1.33 H new ATOM 0 HA GLU A 59 -15.741 -7.047 -10.355 1.00 61.44 H new ATOM 0 HB2 GLU A 59 -16.995 -5.963 -7.824 1.00 51.14 H new ATOM 0 HB3 GLU A 59 -17.793 -6.584 -9.255 1.00 51.14 H new ATOM 0 HG2 GLU A 59 -18.080 -8.411 -7.930 1.00 74.51 H new ATOM 0 HG3 GLU A 59 -16.495 -8.823 -8.555 1.00 74.51 H new ATOM 911 N GLU A 60 -16.247 -4.497 -10.595 1.00 70.32 N ATOM 912 CA GLU A 60 -16.151 -3.088 -10.956 1.00 43.12 C ATOM 913 C GLU A 60 -16.230 -2.202 -9.716 1.00 42.02 C ATOM 914 O GLU A 60 -15.653 -1.115 -9.679 1.00 22.11 O ATOM 915 CB GLU A 60 -17.264 -2.712 -11.937 1.00 21.44 C ATOM 916 CG GLU A 60 -16.969 -3.109 -13.373 1.00 71.33 C ATOM 917 CD GLU A 60 -18.204 -3.078 -14.252 1.00 74.43 C ATOM 918 OE1 GLU A 60 -18.688 -1.968 -14.556 1.00 11.54 O ATOM 919 OE2 GLU A 60 -18.687 -4.164 -14.636 1.00 53.24 O ATOM 0 H GLU A 60 -16.971 -5.012 -11.096 1.00 70.32 H new ATOM 0 HA GLU A 60 -15.185 -2.928 -11.435 1.00 43.12 H new ATOM 0 HB2 GLU A 60 -18.192 -3.188 -11.621 1.00 21.44 H new ATOM 0 HB3 GLU A 60 -17.427 -1.635 -11.893 1.00 21.44 H new ATOM 0 HG2 GLU A 60 -16.217 -2.436 -13.785 1.00 71.33 H new ATOM 0 HG3 GLU A 60 -16.542 -4.112 -13.388 1.00 71.33 H new ATOM 926 N ASP A 61 -16.949 -2.674 -8.704 1.00 24.51 N ATOM 927 CA ASP A 61 -17.104 -1.927 -7.462 1.00 3.44 C ATOM 928 C ASP A 61 -15.751 -1.693 -6.796 1.00 13.24 C ATOM 929 O ASP A 61 -15.590 -0.762 -6.007 1.00 35.43 O ATOM 930 CB ASP A 61 -18.035 -2.673 -6.505 1.00 50.20 C ATOM 931 CG ASP A 61 -19.492 -2.308 -6.713 1.00 62.54 C ATOM 932 OD1 ASP A 61 -20.151 -2.958 -7.552 1.00 12.33 O ATOM 933 OD2 ASP A 61 -19.972 -1.373 -6.039 1.00 33.52 O ATOM 0 H ASP A 61 -17.434 -3.571 -8.720 1.00 24.51 H new ATOM 0 HA ASP A 61 -17.543 -0.959 -7.702 1.00 3.44 H new ATOM 0 HB2 ASP A 61 -17.909 -3.747 -6.643 1.00 50.20 H new ATOM 0 HB3 ASP A 61 -17.750 -2.449 -5.477 1.00 50.20 H new ATOM 938 N GLU A 62 -14.783 -2.545 -7.119 1.00 11.44 N ATOM 939 CA GLU A 62 -13.445 -2.431 -6.550 1.00 14.05 C ATOM 940 C GLU A 62 -12.428 -2.052 -7.622 1.00 71.42 C ATOM 941 O GLU A 62 -11.327 -1.594 -7.315 1.00 43.04 O ATOM 942 CB GLU A 62 -13.036 -3.747 -5.885 1.00 32.11 C ATOM 943 CG GLU A 62 -13.741 -4.964 -6.460 1.00 63.23 C ATOM 944 CD GLU A 62 -13.622 -6.184 -5.567 1.00 12.54 C ATOM 945 OE1 GLU A 62 -12.491 -6.686 -5.396 1.00 14.40 O ATOM 946 OE2 GLU A 62 -14.659 -6.636 -5.038 1.00 53.34 O ATOM 0 H GLU A 62 -14.900 -3.321 -7.771 1.00 11.44 H new ATOM 0 HA GLU A 62 -13.464 -1.643 -5.798 1.00 14.05 H new ATOM 0 HB2 GLU A 62 -11.959 -3.878 -5.990 1.00 32.11 H new ATOM 0 HB3 GLU A 62 -13.247 -3.686 -4.817 1.00 32.11 H new ATOM 0 HG2 GLU A 62 -14.795 -4.731 -6.611 1.00 63.23 H new ATOM 0 HG3 GLU A 62 -13.321 -5.193 -7.440 1.00 63.23 H new ATOM 953 N LEU A 63 -12.804 -2.248 -8.881 1.00 54.11 N ATOM 954 CA LEU A 63 -11.926 -1.928 -10.001 1.00 3.13 C ATOM 955 C LEU A 63 -11.801 -0.418 -10.181 1.00 73.42 C ATOM 956 O LEU A 63 -10.765 0.082 -10.618 1.00 50.44 O ATOM 957 CB LEU A 63 -12.454 -2.565 -11.287 1.00 42.03 C ATOM 958 CG LEU A 63 -11.418 -3.279 -12.157 1.00 53.40 C ATOM 959 CD1 LEU A 63 -12.052 -3.764 -13.452 1.00 2.24 C ATOM 960 CD2 LEU A 63 -10.242 -2.358 -12.449 1.00 21.40 C ATOM 0 H LEU A 63 -13.711 -2.627 -9.152 1.00 54.11 H new ATOM 0 HA LEU A 63 -10.937 -2.332 -9.783 1.00 3.13 H new ATOM 0 HB2 LEU A 63 -13.232 -3.281 -11.021 1.00 42.03 H new ATOM 0 HB3 LEU A 63 -12.928 -1.787 -11.886 1.00 42.03 H new ATOM 0 HG LEU A 63 -11.048 -4.146 -11.611 1.00 53.40 H new ATOM 0 HD11 LEU A 63 -11.300 -4.269 -14.058 1.00 2.24 H new ATOM 0 HD12 LEU A 63 -12.861 -4.458 -13.224 1.00 2.24 H new ATOM 0 HD13 LEU A 63 -12.450 -2.912 -14.004 1.00 2.24 H new ATOM 0 HD21 LEU A 63 -9.515 -2.882 -13.069 1.00 21.40 H new ATOM 0 HD22 LEU A 63 -10.596 -1.472 -12.976 1.00 21.40 H new ATOM 0 HD23 LEU A 63 -9.772 -2.060 -11.512 1.00 21.40 H new ATOM 972 N LYS A 64 -12.864 0.303 -9.840 1.00 22.44 N ATOM 973 CA LYS A 64 -12.874 1.756 -9.960 1.00 22.31 C ATOM 974 C LYS A 64 -11.829 2.385 -9.044 1.00 20.32 C ATOM 975 O LYS A 64 -11.323 3.473 -9.318 1.00 54.33 O ATOM 976 CB LYS A 64 -14.261 2.306 -9.622 1.00 52.45 C ATOM 977 CG LYS A 64 -14.834 1.760 -8.326 1.00 43.00 C ATOM 978 CD LYS A 64 -15.796 2.745 -7.683 1.00 24.45 C ATOM 979 CE LYS A 64 -16.953 3.080 -8.610 1.00 74.12 C ATOM 980 NZ LYS A 64 -18.229 3.259 -7.863 1.00 30.41 N ATOM 0 H LYS A 64 -13.730 -0.096 -9.478 1.00 22.44 H new ATOM 0 HA LYS A 64 -12.629 2.012 -10.991 1.00 22.31 H new ATOM 0 HB2 LYS A 64 -14.205 3.393 -9.555 1.00 52.45 H new ATOM 0 HB3 LYS A 64 -14.944 2.072 -10.438 1.00 52.45 H new ATOM 0 HG2 LYS A 64 -15.351 0.821 -8.523 1.00 43.00 H new ATOM 0 HG3 LYS A 64 -14.022 1.538 -7.633 1.00 43.00 H new ATOM 0 HD2 LYS A 64 -16.182 2.324 -6.755 1.00 24.45 H new ATOM 0 HD3 LYS A 64 -15.262 3.658 -7.421 1.00 24.45 H new ATOM 0 HE2 LYS A 64 -16.724 3.992 -9.161 1.00 74.12 H new ATOM 0 HE3 LYS A 64 -17.071 2.284 -9.345 1.00 74.12 H new ATOM 0 HZ1 LYS A 64 -18.993 3.486 -8.531 1.00 30.41 H new ATOM 0 HZ2 LYS A 64 -18.461 2.381 -7.357 1.00 30.41 H new ATOM 0 HZ3 LYS A 64 -18.125 4.035 -7.179 1.00 30.41 H new ATOM 994 N TYR A 65 -11.509 1.693 -7.956 1.00 71.52 N ATOM 995 CA TYR A 65 -10.525 2.184 -6.999 1.00 42.23 C ATOM 996 C TYR A 65 -9.134 1.648 -7.324 1.00 70.12 C ATOM 997 O TYR A 65 -8.339 1.366 -6.427 1.00 73.11 O ATOM 998 CB TYR A 65 -10.920 1.782 -5.577 1.00 65.44 C ATOM 999 CG TYR A 65 -12.013 2.642 -4.986 1.00 11.00 C ATOM 1000 CD1 TYR A 65 -11.937 4.029 -5.037 1.00 72.42 C ATOM 1001 CD2 TYR A 65 -13.122 2.069 -4.375 1.00 64.01 C ATOM 1002 CE1 TYR A 65 -12.934 4.819 -4.498 1.00 25.14 C ATOM 1003 CE2 TYR A 65 -14.123 2.851 -3.834 1.00 53.42 C ATOM 1004 CZ TYR A 65 -14.025 4.226 -3.898 1.00 23.33 C ATOM 1005 OH TYR A 65 -15.020 5.009 -3.359 1.00 23.43 O ATOM 0 H TYR A 65 -11.917 0.790 -7.715 1.00 71.52 H new ATOM 0 HA TYR A 65 -10.500 3.272 -7.068 1.00 42.23 H new ATOM 0 HB2 TYR A 65 -11.249 0.743 -5.580 1.00 65.44 H new ATOM 0 HB3 TYR A 65 -10.040 1.836 -4.936 1.00 65.44 H new ATOM 0 HD1 TYR A 65 -11.084 4.497 -5.506 1.00 72.42 H new ATOM 0 HD2 TYR A 65 -13.202 0.993 -4.322 1.00 64.01 H new ATOM 0 HE1 TYR A 65 -12.859 5.895 -4.546 1.00 25.14 H new ATOM 0 HE2 TYR A 65 -14.978 2.389 -3.363 1.00 53.42 H new ATOM 0 HH TYR A 65 -15.716 4.435 -2.976 1.00 23.43 H new ATOM 1015 N PHE A 66 -8.847 1.510 -8.614 1.00 43.34 N ATOM 1016 CA PHE A 66 -7.552 1.008 -9.060 1.00 33.31 C ATOM 1017 C PHE A 66 -6.449 2.024 -8.781 1.00 21.02 C ATOM 1018 O PHE A 66 -5.291 1.659 -8.572 1.00 51.01 O ATOM 1019 CB PHE A 66 -7.595 0.682 -10.554 1.00 61.23 C ATOM 1020 CG PHE A 66 -6.236 0.482 -11.163 1.00 75.22 C ATOM 1021 CD1 PHE A 66 -5.449 -0.596 -10.793 1.00 24.01 C ATOM 1022 CD2 PHE A 66 -5.747 1.372 -12.105 1.00 52.25 C ATOM 1023 CE1 PHE A 66 -4.198 -0.783 -11.352 1.00 32.25 C ATOM 1024 CE2 PHE A 66 -4.498 1.190 -12.668 1.00 21.13 C ATOM 1025 CZ PHE A 66 -3.722 0.112 -12.289 1.00 61.45 C ATOM 0 H PHE A 66 -9.493 1.739 -9.369 1.00 43.34 H new ATOM 0 HA PHE A 66 -7.332 0.098 -8.503 1.00 33.31 H new ATOM 0 HB2 PHE A 66 -8.188 -0.220 -10.704 1.00 61.23 H new ATOM 0 HB3 PHE A 66 -8.105 1.490 -11.080 1.00 61.23 H new ATOM 0 HD1 PHE A 66 -5.816 -1.299 -10.060 1.00 24.01 H new ATOM 0 HD2 PHE A 66 -6.349 2.218 -12.403 1.00 52.25 H new ATOM 0 HE1 PHE A 66 -3.594 -1.628 -11.056 1.00 32.25 H new ATOM 0 HE2 PHE A 66 -4.129 1.890 -13.403 1.00 21.13 H new ATOM 0 HZ PHE A 66 -2.744 -0.030 -12.725 1.00 61.45 H new ATOM 1035 N LEU A 67 -6.816 3.301 -8.779 1.00 64.21 N ATOM 1036 CA LEU A 67 -5.858 4.372 -8.526 1.00 62.43 C ATOM 1037 C LEU A 67 -5.677 4.598 -7.029 1.00 22.13 C ATOM 1038 O LEU A 67 -4.799 5.351 -6.607 1.00 72.23 O ATOM 1039 CB LEU A 67 -6.321 5.666 -9.197 1.00 12.01 C ATOM 1040 CG LEU A 67 -7.081 5.505 -10.514 1.00 35.23 C ATOM 1041 CD1 LEU A 67 -7.215 6.845 -11.221 1.00 22.34 C ATOM 1042 CD2 LEU A 67 -6.384 4.493 -11.412 1.00 13.14 C ATOM 0 H LEU A 67 -7.770 3.620 -8.950 1.00 64.21 H new ATOM 0 HA LEU A 67 -4.898 4.075 -8.948 1.00 62.43 H new ATOM 0 HB2 LEU A 67 -6.958 6.207 -8.497 1.00 12.01 H new ATOM 0 HB3 LEU A 67 -5.446 6.290 -9.380 1.00 12.01 H new ATOM 0 HG LEU A 67 -8.081 5.134 -10.291 1.00 35.23 H new ATOM 0 HD11 LEU A 67 -7.759 6.710 -12.156 1.00 22.34 H new ATOM 0 HD12 LEU A 67 -7.759 7.541 -10.582 1.00 22.34 H new ATOM 0 HD13 LEU A 67 -6.224 7.246 -11.432 1.00 22.34 H new ATOM 0 HD21 LEU A 67 -6.939 4.391 -12.345 1.00 13.14 H new ATOM 0 HD22 LEU A 67 -5.372 4.834 -11.627 1.00 13.14 H new ATOM 0 HD23 LEU A 67 -6.342 3.528 -10.908 1.00 13.14 H new ATOM 1054 N GLN A 68 -6.511 3.940 -6.231 1.00 33.51 N ATOM 1055 CA GLN A 68 -6.442 4.068 -4.780 1.00 43.21 C ATOM 1056 C GLN A 68 -5.586 2.960 -4.176 1.00 33.43 C ATOM 1057 O GLN A 68 -5.391 2.905 -2.961 1.00 74.13 O ATOM 1058 CB GLN A 68 -7.846 4.032 -4.176 1.00 34.23 C ATOM 1059 CG GLN A 68 -8.320 5.379 -3.655 1.00 3.13 C ATOM 1060 CD GLN A 68 -9.374 6.010 -4.542 1.00 40.55 C ATOM 1061 OE1 GLN A 68 -9.157 5.955 -5.851 1.00 3.15 O flip ATOM 1062 NE2 GLN A 68 -10.373 6.543 -4.058 1.00 60.53 N flip ATOM 0 H GLN A 68 -7.243 3.313 -6.565 1.00 33.51 H new ATOM 0 HA GLN A 68 -5.979 5.027 -4.547 1.00 43.21 H new ATOM 0 HB2 GLN A 68 -8.548 3.676 -4.930 1.00 34.23 H new ATOM 0 HB3 GLN A 68 -7.863 3.310 -3.360 1.00 34.23 H new ATOM 0 HG2 GLN A 68 -8.724 5.254 -2.650 1.00 3.13 H new ATOM 0 HG3 GLN A 68 -7.467 6.053 -3.574 1.00 3.13 H new ATOM 0 HE21 GLN A 68 -10.501 6.563 -3.046 1.00 60.53 H new ATOM 0 HE22 GLN A 68 -11.073 6.964 -4.669 1.00 60.53 H new ATOM 1071 N ARG A 69 -5.079 2.078 -5.031 1.00 24.13 N ATOM 1072 CA ARG A 69 -4.245 0.970 -4.580 1.00 73.44 C ATOM 1073 C ARG A 69 -2.775 1.235 -4.888 1.00 5.30 C ATOM 1074 O ARG A 69 -1.886 0.774 -4.171 1.00 73.52 O ATOM 1075 CB ARG A 69 -4.689 -0.334 -5.247 1.00 54.20 C ATOM 1076 CG ARG A 69 -6.082 -0.784 -4.837 1.00 22.24 C ATOM 1077 CD ARG A 69 -6.854 -1.353 -6.017 1.00 22.23 C ATOM 1078 NE ARG A 69 -7.925 -2.249 -5.589 1.00 53.33 N ATOM 1079 CZ ARG A 69 -9.008 -1.841 -4.936 1.00 44.43 C ATOM 1080 NH1 ARG A 69 -9.161 -0.558 -4.638 1.00 13.04 N ATOM 1081 NH2 ARG A 69 -9.939 -2.716 -4.581 1.00 73.11 N ATOM 0 H ARG A 69 -5.231 2.109 -6.039 1.00 24.13 H new ATOM 0 HA ARG A 69 -4.361 0.877 -3.500 1.00 73.44 H new ATOM 0 HB2 ARG A 69 -4.661 -0.206 -6.329 1.00 54.20 H new ATOM 0 HB3 ARG A 69 -3.975 -1.120 -5.000 1.00 54.20 H new ATOM 0 HG2 ARG A 69 -6.006 -1.538 -4.053 1.00 22.24 H new ATOM 0 HG3 ARG A 69 -6.629 0.060 -4.416 1.00 22.24 H new ATOM 0 HD2 ARG A 69 -7.277 -0.536 -6.602 1.00 22.23 H new ATOM 0 HD3 ARG A 69 -6.170 -1.893 -6.672 1.00 22.23 H new ATOM 0 HE ARG A 69 -7.837 -3.242 -5.803 1.00 53.33 H new ATOM 0 HH11 ARG A 69 -8.447 0.117 -4.910 1.00 13.04 H new ATOM 0 HH12 ARG A 69 -9.993 -0.247 -4.137 1.00 13.04 H new ATOM 0 HH21 ARG A 69 -9.824 -3.704 -4.809 1.00 73.11 H new ATOM 0 HH22 ARG A 69 -10.770 -2.402 -4.080 1.00 73.11 H new ATOM 1095 N PHE A 70 -2.525 1.982 -5.959 1.00 23.14 N ATOM 1096 CA PHE A 70 -1.162 2.308 -6.362 1.00 61.12 C ATOM 1097 C PHE A 70 -0.782 3.715 -5.909 1.00 74.24 C ATOM 1098 O PHE A 70 0.393 4.080 -5.905 1.00 15.21 O ATOM 1099 CB PHE A 70 -1.016 2.192 -7.881 1.00 24.12 C ATOM 1100 CG PHE A 70 -1.101 0.780 -8.385 1.00 71.31 C ATOM 1101 CD1 PHE A 70 -2.287 0.069 -8.297 1.00 13.12 C ATOM 1102 CD2 PHE A 70 0.005 0.163 -8.947 1.00 71.50 C ATOM 1103 CE1 PHE A 70 -2.370 -1.231 -8.760 1.00 45.53 C ATOM 1104 CE2 PHE A 70 -0.071 -1.137 -9.413 1.00 14.55 C ATOM 1105 CZ PHE A 70 -1.260 -1.834 -9.318 1.00 23.41 C ATOM 0 H PHE A 70 -3.248 2.373 -6.563 1.00 23.14 H new ATOM 0 HA PHE A 70 -0.488 1.597 -5.883 1.00 61.12 H new ATOM 0 HB2 PHE A 70 -1.794 2.787 -8.359 1.00 24.12 H new ATOM 0 HB3 PHE A 70 -0.059 2.619 -8.180 1.00 24.12 H new ATOM 0 HD1 PHE A 70 -3.158 0.536 -7.861 1.00 13.12 H new ATOM 0 HD2 PHE A 70 0.937 0.703 -9.022 1.00 71.50 H new ATOM 0 HE1 PHE A 70 -3.301 -1.774 -8.685 1.00 45.53 H new ATOM 0 HE2 PHE A 70 0.798 -1.606 -9.850 1.00 14.55 H new ATOM 0 HZ PHE A 70 -1.321 -2.850 -9.680 1.00 23.41 H new ATOM 1115 N GLU A 71 -1.787 4.499 -5.530 1.00 24.11 N ATOM 1116 CA GLU A 71 -1.558 5.866 -5.077 1.00 12.02 C ATOM 1117 C GLU A 71 -2.122 6.076 -3.674 1.00 61.33 C ATOM 1118 O GLU A 71 -1.557 6.819 -2.872 1.00 33.24 O ATOM 1119 CB GLU A 71 -2.195 6.862 -6.048 1.00 61.04 C ATOM 1120 CG GLU A 71 -1.556 8.240 -6.012 1.00 55.34 C ATOM 1121 CD GLU A 71 -0.103 8.222 -6.445 1.00 73.43 C ATOM 1122 OE1 GLU A 71 0.759 7.873 -5.612 1.00 31.33 O ATOM 1123 OE2 GLU A 71 0.172 8.556 -7.616 1.00 72.35 O ATOM 0 H GLU A 71 -2.766 4.211 -5.528 1.00 24.11 H new ATOM 0 HA GLU A 71 -0.482 6.036 -5.047 1.00 12.02 H new ATOM 0 HB2 GLU A 71 -2.125 6.465 -7.061 1.00 61.04 H new ATOM 0 HB3 GLU A 71 -3.256 6.956 -5.815 1.00 61.04 H new ATOM 0 HG2 GLU A 71 -2.116 8.913 -6.661 1.00 55.34 H new ATOM 0 HG3 GLU A 71 -1.625 8.642 -5.001 1.00 55.34 H new ATOM 1130 N SER A 72 -3.239 5.416 -3.387 1.00 73.42 N ATOM 1131 CA SER A 72 -3.883 5.532 -2.084 1.00 3.42 C ATOM 1132 C SER A 72 -4.314 6.971 -1.818 1.00 1.51 C ATOM 1133 O SER A 72 -3.750 7.652 -0.962 1.00 53.31 O ATOM 1134 CB SER A 72 -2.935 5.060 -0.980 1.00 32.44 C ATOM 1135 OG SER A 72 -3.132 3.686 -0.692 1.00 62.15 O ATOM 0 H SER A 72 -3.717 4.795 -4.040 1.00 73.42 H new ATOM 0 HA SER A 72 -4.771 4.899 -2.087 1.00 3.42 H new ATOM 0 HB2 SER A 72 -1.902 5.226 -1.287 1.00 32.44 H new ATOM 0 HB3 SER A 72 -3.098 5.651 -0.079 1.00 32.44 H new ATOM 0 HG SER A 72 -2.513 3.408 0.015 1.00 62.15 H new ATOM 1141 N GLY A 73 -5.319 7.428 -2.559 1.00 40.21 N ATOM 1142 CA GLY A 73 -5.810 8.783 -2.389 1.00 43.44 C ATOM 1143 C GLY A 73 -6.264 9.403 -3.696 1.00 4.50 C ATOM 1144 O GLY A 73 -6.918 10.446 -3.702 1.00 21.32 O ATOM 0 H GLY A 73 -5.802 6.884 -3.274 1.00 40.21 H new ATOM 0 HA2 GLY A 73 -6.641 8.779 -1.684 1.00 43.44 H new ATOM 0 HA3 GLY A 73 -5.024 9.399 -1.952 1.00 43.44 H new ATOM 1148 N ALA A 74 -5.914 8.762 -4.806 1.00 53.14 N ATOM 1149 CA ALA A 74 -6.290 9.257 -6.125 1.00 14.02 C ATOM 1150 C ALA A 74 -7.782 9.068 -6.377 1.00 15.41 C ATOM 1151 O ALA A 74 -8.515 8.601 -5.505 1.00 23.14 O ATOM 1152 CB ALA A 74 -5.478 8.556 -7.203 1.00 71.43 C ATOM 0 H ALA A 74 -5.371 7.899 -4.818 1.00 53.14 H new ATOM 0 HA ALA A 74 -6.074 10.325 -6.160 1.00 14.02 H new ATOM 0 HB1 ALA A 74 -5.769 8.935 -8.182 1.00 71.43 H new ATOM 0 HB2 ALA A 74 -4.417 8.746 -7.041 1.00 71.43 H new ATOM 0 HB3 ALA A 74 -5.665 7.483 -7.159 1.00 71.43 H new ATOM 1158 N ARG A 75 -8.227 9.435 -7.574 1.00 44.55 N ATOM 1159 CA ARG A 75 -9.632 9.308 -7.940 1.00 52.21 C ATOM 1160 C ARG A 75 -9.952 7.883 -8.381 1.00 73.02 C ATOM 1161 O ARG A 75 -9.086 7.009 -8.370 1.00 24.35 O ATOM 1162 CB ARG A 75 -9.981 10.291 -9.060 1.00 22.52 C ATOM 1163 CG ARG A 75 -9.454 9.872 -10.423 1.00 1.42 C ATOM 1164 CD ARG A 75 -9.673 10.961 -11.462 1.00 63.54 C ATOM 1165 NE ARG A 75 -11.006 11.549 -11.366 1.00 43.41 N ATOM 1166 CZ ARG A 75 -12.119 10.908 -11.705 1.00 45.45 C ATOM 1167 NH1 ARG A 75 -12.059 9.664 -12.160 1.00 45.54 N ATOM 1168 NH2 ARG A 75 -13.295 11.512 -11.590 1.00 23.45 N ATOM 0 H ARG A 75 -7.634 9.823 -8.308 1.00 44.55 H new ATOM 0 HA ARG A 75 -10.233 9.542 -7.061 1.00 52.21 H new ATOM 0 HB2 ARG A 75 -11.065 10.396 -9.115 1.00 22.52 H new ATOM 0 HB3 ARG A 75 -9.578 11.272 -8.810 1.00 22.52 H new ATOM 0 HG2 ARG A 75 -8.390 9.646 -10.350 1.00 1.42 H new ATOM 0 HG3 ARG A 75 -9.953 8.957 -10.742 1.00 1.42 H new ATOM 0 HD2 ARG A 75 -8.923 11.741 -11.333 1.00 63.54 H new ATOM 0 HD3 ARG A 75 -9.532 10.544 -12.459 1.00 63.54 H new ATOM 0 HE ARG A 75 -11.087 12.505 -11.019 1.00 43.41 H new ATOM 0 HH11 ARG A 75 -11.157 9.197 -12.250 1.00 45.54 H new ATOM 0 HH12 ARG A 75 -12.915 9.174 -12.420 1.00 45.54 H new ATOM 0 HH21 ARG A 75 -13.345 12.469 -11.241 1.00 23.45 H new ATOM 0 HH22 ARG A 75 -14.149 11.019 -11.851 1.00 23.45 H new ATOM 1182 N VAL A 76 -11.203 7.656 -8.770 1.00 12.04 N ATOM 1183 CA VAL A 76 -11.638 6.338 -9.215 1.00 71.40 C ATOM 1184 C VAL A 76 -11.641 6.245 -10.737 1.00 21.02 C ATOM 1185 O VAL A 76 -11.132 7.131 -11.425 1.00 24.23 O ATOM 1186 CB VAL A 76 -13.047 6.004 -8.689 1.00 24.22 C ATOM 1187 CG1 VAL A 76 -13.172 6.381 -7.220 1.00 65.25 C ATOM 1188 CG2 VAL A 76 -14.107 6.709 -9.521 1.00 1.21 C ATOM 0 H VAL A 76 -11.933 8.368 -8.786 1.00 12.04 H new ATOM 0 HA VAL A 76 -10.927 5.617 -8.811 1.00 71.40 H new ATOM 0 HB VAL A 76 -13.204 4.929 -8.778 1.00 24.22 H new ATOM 0 HG11 VAL A 76 -14.174 6.138 -6.866 1.00 65.25 H new ATOM 0 HG12 VAL A 76 -12.437 5.826 -6.638 1.00 65.25 H new ATOM 0 HG13 VAL A 76 -12.995 7.450 -7.102 1.00 65.25 H new ATOM 0 HG21 VAL A 76 -15.096 6.462 -9.135 1.00 1.21 H new ATOM 0 HG22 VAL A 76 -13.955 7.787 -9.466 1.00 1.21 H new ATOM 0 HG23 VAL A 76 -14.031 6.384 -10.559 1.00 1.21 H new ATOM 1198 N LEU A 77 -12.218 5.168 -11.257 1.00 61.42 N ATOM 1199 CA LEU A 77 -12.288 4.958 -12.699 1.00 52.42 C ATOM 1200 C LEU A 77 -13.694 5.235 -13.222 1.00 33.23 C ATOM 1201 O LEU A 77 -14.683 4.778 -12.647 1.00 54.21 O ATOM 1202 CB LEU A 77 -11.874 3.527 -13.048 1.00 15.54 C ATOM 1203 CG LEU A 77 -10.528 3.063 -12.490 1.00 14.40 C ATOM 1204 CD1 LEU A 77 -10.171 1.689 -13.033 1.00 61.24 C ATOM 1205 CD2 LEU A 77 -9.437 4.071 -12.823 1.00 34.33 C ATOM 0 H LEU A 77 -12.644 4.426 -10.702 1.00 61.42 H new ATOM 0 HA LEU A 77 -11.599 5.655 -13.176 1.00 52.42 H new ATOM 0 HB2 LEU A 77 -12.647 2.848 -12.688 1.00 15.54 H new ATOM 0 HB3 LEU A 77 -11.847 3.432 -14.134 1.00 15.54 H new ATOM 0 HG LEU A 77 -10.610 2.992 -11.405 1.00 14.40 H new ATOM 0 HD11 LEU A 77 -9.210 1.375 -12.625 1.00 61.24 H new ATOM 0 HD12 LEU A 77 -10.940 0.972 -12.744 1.00 61.24 H new ATOM 0 HD13 LEU A 77 -10.107 1.733 -14.120 1.00 61.24 H new ATOM 0 HD21 LEU A 77 -8.486 3.725 -12.418 1.00 34.33 H new ATOM 0 HD22 LEU A 77 -9.355 4.174 -13.905 1.00 34.33 H new ATOM 0 HD23 LEU A 77 -9.688 5.037 -12.384 1.00 34.33 H new ATOM 1217 N THR A 78 -13.777 5.984 -14.317 1.00 3.02 N ATOM 1218 CA THR A 78 -15.061 6.320 -14.918 1.00 10.51 C ATOM 1219 C THR A 78 -15.625 5.143 -15.705 1.00 11.12 C ATOM 1220 O THR A 78 -15.027 4.068 -15.746 1.00 11.31 O ATOM 1221 CB THR A 78 -14.942 7.538 -15.853 1.00 44.44 C ATOM 1222 OG1 THR A 78 -16.237 7.917 -16.333 1.00 22.40 O ATOM 1223 CG2 THR A 78 -14.030 7.229 -17.031 1.00 24.01 C ATOM 0 H THR A 78 -12.969 6.370 -14.806 1.00 3.02 H new ATOM 0 HA THR A 78 -15.738 6.564 -14.100 1.00 10.51 H new ATOM 0 HB THR A 78 -14.510 8.362 -15.285 1.00 44.44 H new ATOM 0 HG1 THR A 78 -16.152 8.693 -16.925 1.00 22.40 H new ATOM 0 HG21 THR A 78 -13.961 8.104 -17.677 1.00 24.01 H new ATOM 0 HG22 THR A 78 -13.037 6.970 -16.664 1.00 24.01 H new ATOM 0 HG23 THR A 78 -14.438 6.391 -17.597 1.00 24.01 H new ATOM 1231 N ALA A 79 -16.779 5.353 -16.329 1.00 15.11 N ATOM 1232 CA ALA A 79 -17.423 4.309 -17.117 1.00 43.32 C ATOM 1233 C ALA A 79 -16.604 3.976 -18.360 1.00 3.34 C ATOM 1234 O ALA A 79 -16.862 2.982 -19.037 1.00 75.41 O ATOM 1235 CB ALA A 79 -18.830 4.735 -17.509 1.00 1.22 C ATOM 0 H ALA A 79 -17.287 6.237 -16.304 1.00 15.11 H new ATOM 0 HA ALA A 79 -17.485 3.411 -16.503 1.00 43.32 H new ATOM 0 HB1 ALA A 79 -19.299 3.946 -18.097 1.00 1.22 H new ATOM 0 HB2 ALA A 79 -19.419 4.916 -16.610 1.00 1.22 H new ATOM 0 HB3 ALA A 79 -18.782 5.649 -18.101 1.00 1.22 H new ATOM 1241 N SER A 80 -15.615 4.815 -18.653 1.00 72.15 N ATOM 1242 CA SER A 80 -14.761 4.612 -19.818 1.00 20.43 C ATOM 1243 C SER A 80 -13.409 4.038 -19.406 1.00 23.24 C ATOM 1244 O SER A 80 -12.608 3.640 -20.251 1.00 73.32 O ATOM 1245 CB SER A 80 -14.561 5.931 -20.567 1.00 33.53 C ATOM 1246 OG SER A 80 -13.964 5.712 -21.833 1.00 3.50 O ATOM 0 H SER A 80 -15.385 5.641 -18.100 1.00 72.15 H new ATOM 0 HA SER A 80 -15.253 3.899 -20.479 1.00 20.43 H new ATOM 0 HB2 SER A 80 -15.522 6.429 -20.696 1.00 33.53 H new ATOM 0 HB3 SER A 80 -13.933 6.597 -19.976 1.00 33.53 H new ATOM 0 HG SER A 80 -13.299 4.996 -21.761 1.00 3.50 H new ATOM 1252 N GLU A 81 -13.162 3.999 -18.100 1.00 12.52 N ATOM 1253 CA GLU A 81 -11.907 3.475 -17.575 1.00 44.42 C ATOM 1254 C GLU A 81 -12.076 2.038 -17.093 1.00 34.32 C ATOM 1255 O GLU A 81 -11.434 1.119 -17.603 1.00 21.03 O ATOM 1256 CB GLU A 81 -11.401 4.353 -16.428 1.00 53.45 C ATOM 1257 CG GLU A 81 -10.885 5.709 -16.882 1.00 25.44 C ATOM 1258 CD GLU A 81 -10.352 6.544 -15.733 1.00 61.53 C ATOM 1259 OE1 GLU A 81 -9.211 6.287 -15.293 1.00 54.24 O ATOM 1260 OE2 GLU A 81 -11.075 7.452 -15.275 1.00 2.44 O ATOM 0 H GLU A 81 -13.815 4.324 -17.387 1.00 12.52 H new ATOM 0 HA GLU A 81 -11.174 3.485 -18.382 1.00 44.42 H new ATOM 0 HB2 GLU A 81 -12.209 4.502 -15.712 1.00 53.45 H new ATOM 0 HB3 GLU A 81 -10.603 3.827 -15.903 1.00 53.45 H new ATOM 0 HG2 GLU A 81 -10.095 5.565 -17.619 1.00 25.44 H new ATOM 0 HG3 GLU A 81 -11.689 6.252 -17.379 1.00 25.44 H new ATOM 1267 N THR A 82 -12.946 1.850 -16.105 1.00 73.22 N ATOM 1268 CA THR A 82 -13.200 0.526 -15.552 1.00 32.41 C ATOM 1269 C THR A 82 -13.625 -0.453 -16.641 1.00 21.13 C ATOM 1270 O THR A 82 -13.087 -1.556 -16.743 1.00 35.01 O ATOM 1271 CB THR A 82 -14.290 0.571 -14.464 1.00 71.33 C ATOM 1272 OG1 THR A 82 -14.970 1.830 -14.504 1.00 1.40 O ATOM 1273 CG2 THR A 82 -13.687 0.358 -13.084 1.00 64.43 C ATOM 0 H THR A 82 -13.486 2.599 -15.672 1.00 73.22 H new ATOM 0 HA THR A 82 -12.266 0.186 -15.106 1.00 32.41 H new ATOM 0 HB THR A 82 -15.001 -0.232 -14.660 1.00 71.33 H new ATOM 0 HG1 THR A 82 -15.662 1.850 -13.810 1.00 1.40 H new ATOM 0 HG21 THR A 82 -14.476 0.394 -12.333 1.00 64.43 H new ATOM 0 HG22 THR A 82 -13.196 -0.614 -13.048 1.00 64.43 H new ATOM 0 HG23 THR A 82 -12.957 1.141 -12.881 1.00 64.43 H new ATOM 1281 N LYS A 83 -14.593 -0.043 -17.454 1.00 4.14 N ATOM 1282 CA LYS A 83 -15.089 -0.882 -18.537 1.00 71.54 C ATOM 1283 C LYS A 83 -13.939 -1.396 -19.398 1.00 54.25 C ATOM 1284 O LYS A 83 -13.881 -2.579 -19.734 1.00 74.25 O ATOM 1285 CB LYS A 83 -16.079 -0.100 -19.403 1.00 71.35 C ATOM 1286 CG LYS A 83 -17.523 -0.241 -18.954 1.00 52.33 C ATOM 1287 CD LYS A 83 -18.487 0.290 -20.002 1.00 13.31 C ATOM 1288 CE LYS A 83 -18.858 -0.784 -21.013 1.00 54.41 C ATOM 1289 NZ LYS A 83 -19.806 -0.273 -22.042 1.00 43.33 N ATOM 0 H LYS A 83 -15.050 0.866 -17.383 1.00 4.14 H new ATOM 0 HA LYS A 83 -15.599 -1.738 -18.095 1.00 71.54 H new ATOM 0 HB2 LYS A 83 -15.805 0.955 -19.391 1.00 71.35 H new ATOM 0 HB3 LYS A 83 -15.993 -0.440 -20.435 1.00 71.35 H new ATOM 0 HG2 LYS A 83 -17.742 -1.290 -18.755 1.00 52.33 H new ATOM 0 HG3 LYS A 83 -17.668 0.298 -18.018 1.00 52.33 H new ATOM 0 HD2 LYS A 83 -19.389 0.659 -19.514 1.00 13.31 H new ATOM 0 HD3 LYS A 83 -18.035 1.137 -20.518 1.00 13.31 H new ATOM 0 HE2 LYS A 83 -17.955 -1.151 -21.501 1.00 54.41 H new ATOM 0 HE3 LYS A 83 -19.307 -1.631 -20.495 1.00 54.41 H new ATOM 0 HZ1 LYS A 83 -20.034 -1.035 -22.712 1.00 43.33 H new ATOM 0 HZ2 LYS A 83 -20.678 0.054 -21.579 1.00 43.33 H new ATOM 0 HZ3 LYS A 83 -19.368 0.519 -22.554 1.00 43.33 H new ATOM 1303 N THR A 84 -13.024 -0.499 -19.752 1.00 53.41 N ATOM 1304 CA THR A 84 -11.876 -0.861 -20.573 1.00 51.14 C ATOM 1305 C THR A 84 -11.086 -2.001 -19.941 1.00 43.22 C ATOM 1306 O THR A 84 -10.841 -3.027 -20.576 1.00 44.43 O ATOM 1307 CB THR A 84 -10.938 0.342 -20.789 1.00 62.50 C ATOM 1308 OG1 THR A 84 -11.675 1.449 -21.318 1.00 41.41 O ATOM 1309 CG2 THR A 84 -9.805 -0.020 -21.738 1.00 3.54 C ATOM 0 H THR A 84 -13.056 0.484 -19.482 1.00 53.41 H new ATOM 0 HA THR A 84 -12.267 -1.185 -21.538 1.00 51.14 H new ATOM 0 HB THR A 84 -10.510 0.619 -19.826 1.00 62.50 H new ATOM 0 HG1 THR A 84 -12.031 1.988 -20.581 1.00 41.41 H new ATOM 0 HG21 THR A 84 -9.155 0.844 -21.876 1.00 3.54 H new ATOM 0 HG22 THR A 84 -9.228 -0.844 -21.318 1.00 3.54 H new ATOM 0 HG23 THR A 84 -10.219 -0.320 -22.701 1.00 3.54 H new ATOM 1317 N PHE A 85 -10.689 -1.815 -18.686 1.00 74.14 N ATOM 1318 CA PHE A 85 -9.926 -2.829 -17.968 1.00 2.30 C ATOM 1319 C PHE A 85 -10.635 -4.179 -18.014 1.00 54.35 C ATOM 1320 O PHE A 85 -10.035 -5.197 -18.361 1.00 72.01 O ATOM 1321 CB PHE A 85 -9.712 -2.402 -16.514 1.00 55.33 C ATOM 1322 CG PHE A 85 -8.595 -3.137 -15.831 1.00 41.14 C ATOM 1323 CD1 PHE A 85 -8.815 -4.377 -15.253 1.00 11.41 C ATOM 1324 CD2 PHE A 85 -7.324 -2.589 -15.768 1.00 40.24 C ATOM 1325 CE1 PHE A 85 -7.789 -5.055 -14.623 1.00 44.33 C ATOM 1326 CE2 PHE A 85 -6.293 -3.263 -15.140 1.00 53.54 C ATOM 1327 CZ PHE A 85 -6.526 -4.498 -14.568 1.00 1.30 C ATOM 0 H PHE A 85 -10.883 -0.972 -18.146 1.00 74.14 H new ATOM 0 HA PHE A 85 -8.957 -2.931 -18.456 1.00 2.30 H new ATOM 0 HB2 PHE A 85 -9.504 -1.333 -16.485 1.00 55.33 H new ATOM 0 HB3 PHE A 85 -10.635 -2.562 -15.957 1.00 55.33 H new ATOM 0 HD1 PHE A 85 -9.800 -4.819 -15.295 1.00 11.41 H new ATOM 0 HD2 PHE A 85 -7.136 -1.624 -16.215 1.00 40.24 H new ATOM 0 HE1 PHE A 85 -7.974 -6.020 -14.174 1.00 44.33 H new ATOM 0 HE2 PHE A 85 -5.307 -2.824 -15.097 1.00 53.54 H new ATOM 0 HZ PHE A 85 -5.722 -5.028 -14.078 1.00 1.30 H new ATOM 1337 N LEU A 86 -11.916 -4.179 -17.662 1.00 73.34 N ATOM 1338 CA LEU A 86 -12.709 -5.404 -17.663 1.00 14.31 C ATOM 1339 C LEU A 86 -12.837 -5.969 -19.074 1.00 21.33 C ATOM 1340 O LEU A 86 -12.845 -7.184 -19.267 1.00 61.55 O ATOM 1341 CB LEU A 86 -14.098 -5.135 -17.081 1.00 75.23 C ATOM 1342 CG LEU A 86 -15.082 -6.305 -17.125 1.00 31.11 C ATOM 1343 CD1 LEU A 86 -14.767 -7.308 -16.026 1.00 73.42 C ATOM 1344 CD2 LEU A 86 -16.513 -5.804 -16.998 1.00 12.22 C ATOM 0 H LEU A 86 -12.428 -3.345 -17.372 1.00 73.34 H new ATOM 0 HA LEU A 86 -12.197 -6.140 -17.042 1.00 14.31 H new ATOM 0 HB2 LEU A 86 -13.981 -4.823 -16.043 1.00 75.23 H new ATOM 0 HB3 LEU A 86 -14.539 -4.295 -17.618 1.00 75.23 H new ATOM 0 HG LEU A 86 -14.978 -6.806 -18.087 1.00 31.11 H new ATOM 0 HD11 LEU A 86 -15.477 -8.134 -16.072 1.00 73.42 H new ATOM 0 HD12 LEU A 86 -13.756 -7.691 -16.162 1.00 73.42 H new ATOM 0 HD13 LEU A 86 -14.842 -6.819 -15.055 1.00 73.42 H new ATOM 0 HD21 LEU A 86 -17.199 -6.650 -17.031 1.00 12.22 H new ATOM 0 HD22 LEU A 86 -16.632 -5.278 -16.051 1.00 12.22 H new ATOM 0 HD23 LEU A 86 -16.735 -5.124 -17.821 1.00 12.22 H new ATOM 1356 N ALA A 87 -12.934 -5.079 -20.056 1.00 35.31 N ATOM 1357 CA ALA A 87 -13.057 -5.490 -21.449 1.00 50.42 C ATOM 1358 C ALA A 87 -11.687 -5.730 -22.073 1.00 44.54 C ATOM 1359 O ALA A 87 -11.577 -6.000 -23.269 1.00 35.11 O ATOM 1360 CB ALA A 87 -13.824 -4.442 -22.242 1.00 74.12 C ATOM 0 H ALA A 87 -12.930 -4.069 -19.913 1.00 35.31 H new ATOM 0 HA ALA A 87 -13.610 -6.429 -21.478 1.00 50.42 H new ATOM 0 HB1 ALA A 87 -13.909 -4.762 -23.281 1.00 74.12 H new ATOM 0 HB2 ALA A 87 -14.821 -4.322 -21.817 1.00 74.12 H new ATOM 0 HB3 ALA A 87 -13.293 -3.491 -22.197 1.00 74.12 H new ATOM 1366 N ALA A 88 -10.643 -5.628 -21.256 1.00 53.34 N ATOM 1367 CA ALA A 88 -9.280 -5.835 -21.729 1.00 31.02 C ATOM 1368 C ALA A 88 -8.626 -7.015 -21.018 1.00 73.20 C ATOM 1369 O ALA A 88 -7.602 -7.530 -21.464 1.00 65.20 O ATOM 1370 CB ALA A 88 -8.454 -4.573 -21.529 1.00 15.33 C ATOM 0 H ALA A 88 -10.716 -5.403 -20.264 1.00 53.34 H new ATOM 0 HA ALA A 88 -9.322 -6.063 -22.794 1.00 31.02 H new ATOM 0 HB1 ALA A 88 -7.438 -4.742 -21.887 1.00 15.33 H new ATOM 0 HB2 ALA A 88 -8.903 -3.752 -22.088 1.00 15.33 H new ATOM 0 HB3 ALA A 88 -8.428 -4.319 -20.469 1.00 15.33 H new ATOM 1376 N ALA A 89 -9.225 -7.438 -19.910 1.00 34.23 N ATOM 1377 CA ALA A 89 -8.702 -8.559 -19.138 1.00 43.43 C ATOM 1378 C ALA A 89 -9.731 -9.678 -19.029 1.00 20.44 C ATOM 1379 O ALA A 89 -9.458 -10.822 -19.390 1.00 73.22 O ATOM 1380 CB ALA A 89 -8.276 -8.093 -17.754 1.00 11.13 C ATOM 0 H ALA A 89 -10.073 -7.021 -19.526 1.00 34.23 H new ATOM 0 HA ALA A 89 -7.830 -8.953 -19.661 1.00 43.43 H new ATOM 0 HB1 ALA A 89 -7.888 -8.940 -17.188 1.00 11.13 H new ATOM 0 HB2 ALA A 89 -7.500 -7.333 -17.849 1.00 11.13 H new ATOM 0 HB3 ALA A 89 -9.135 -7.671 -17.232 1.00 11.13 H new ATOM 1386 N ASP A 90 -10.914 -9.341 -18.526 1.00 74.05 N ATOM 1387 CA ASP A 90 -11.984 -10.319 -18.368 1.00 34.30 C ATOM 1388 C ASP A 90 -12.427 -10.865 -19.722 1.00 72.30 C ATOM 1389 O ASP A 90 -12.172 -12.025 -20.050 1.00 1.43 O ATOM 1390 CB ASP A 90 -13.177 -9.689 -17.645 1.00 24.41 C ATOM 1391 CG ASP A 90 -13.202 -10.031 -16.169 1.00 0.31 C ATOM 1392 OD1 ASP A 90 -13.848 -11.139 -15.827 1.00 75.24 O ATOM 1393 OD2 ASP A 90 -12.646 -9.306 -15.344 1.00 5.23 O ATOM 0 H ASP A 90 -11.156 -8.398 -18.221 1.00 74.05 H new ATOM 0 HA ASP A 90 -11.600 -11.146 -17.770 1.00 34.30 H new ATOM 0 HB2 ASP A 90 -13.140 -8.606 -17.764 1.00 24.41 H new ATOM 0 HB3 ASP A 90 -14.102 -10.030 -18.110 1.00 24.41 H new ATOM 1398 N HIS A 91 -13.092 -10.022 -20.505 1.00 41.15 N ATOM 1399 CA HIS A 91 -13.569 -10.419 -21.825 1.00 75.22 C ATOM 1400 C HIS A 91 -14.472 -11.646 -21.730 1.00 4.12 C ATOM 1401 O HIS A 91 -14.749 -12.304 -22.733 1.00 12.32 O ATOM 1402 CB HIS A 91 -12.389 -10.711 -22.752 1.00 3.24 C ATOM 1403 CG HIS A 91 -12.707 -10.527 -24.204 1.00 30.44 C ATOM 1404 ND1 HIS A 91 -11.740 -10.335 -25.168 1.00 11.24 N ATOM 1405 CD2 HIS A 91 -13.894 -10.510 -24.854 1.00 42.14 C ATOM 1406 CE1 HIS A 91 -12.318 -10.205 -26.348 1.00 54.13 C ATOM 1407 NE2 HIS A 91 -13.625 -10.308 -26.186 1.00 11.22 N ATOM 0 H HIS A 91 -13.313 -9.060 -20.249 1.00 41.15 H new ATOM 0 HA HIS A 91 -14.149 -9.593 -22.237 1.00 75.22 H new ATOM 0 HB2 HIS A 91 -11.558 -10.058 -22.485 1.00 3.24 H new ATOM 0 HB3 HIS A 91 -12.055 -11.736 -22.589 1.00 3.24 H new ATOM 0 HD2 HIS A 91 -14.870 -10.632 -24.409 1.00 42.14 H new ATOM 0 HE1 HIS A 91 -11.809 -10.042 -27.286 1.00 54.13 H new ATOM 0 HE2 HIS A 91 -14.321 -10.247 -26.929 1.00 11.22 H new ATOM 1415 N ASP A 92 -14.925 -11.948 -20.518 1.00 50.03 N ATOM 1416 CA ASP A 92 -15.796 -13.096 -20.292 1.00 1.40 C ATOM 1417 C ASP A 92 -17.208 -12.644 -19.931 1.00 44.44 C ATOM 1418 O ASP A 92 -18.137 -13.449 -19.891 1.00 2.11 O ATOM 1419 CB ASP A 92 -15.231 -13.980 -19.180 1.00 24.41 C ATOM 1420 CG ASP A 92 -14.732 -13.175 -17.996 1.00 52.12 C ATOM 1421 OD1 ASP A 92 -15.171 -12.016 -17.840 1.00 72.53 O ATOM 1422 OD2 ASP A 92 -13.902 -13.703 -17.226 1.00 53.32 O ATOM 0 H ASP A 92 -14.704 -11.414 -19.677 1.00 50.03 H new ATOM 0 HA ASP A 92 -15.843 -13.673 -21.216 1.00 1.40 H new ATOM 0 HB2 ASP A 92 -16.002 -14.674 -18.845 1.00 24.41 H new ATOM 0 HB3 ASP A 92 -14.413 -14.580 -19.578 1.00 24.41 H new ATOM 1427 N GLY A 93 -17.360 -11.349 -19.669 1.00 34.11 N ATOM 1428 CA GLY A 93 -18.661 -10.813 -19.314 1.00 13.32 C ATOM 1429 C GLY A 93 -19.061 -11.154 -17.892 1.00 4.01 C ATOM 1430 O GLY A 93 -20.241 -11.112 -17.544 1.00 60.04 O ATOM 0 H GLY A 93 -16.606 -10.662 -19.696 1.00 34.11 H new ATOM 0 HA2 GLY A 93 -18.649 -9.730 -19.435 1.00 13.32 H new ATOM 0 HA3 GLY A 93 -19.411 -11.203 -20.002 1.00 13.32 H new ATOM 1434 N ASP A 94 -18.076 -11.494 -17.068 1.00 63.31 N ATOM 1435 CA ASP A 94 -18.330 -11.845 -15.676 1.00 33.23 C ATOM 1436 C ASP A 94 -18.460 -10.593 -14.815 1.00 10.33 C ATOM 1437 O ASP A 94 -19.297 -10.530 -13.915 1.00 4.52 O ATOM 1438 CB ASP A 94 -17.208 -12.735 -15.138 1.00 52.32 C ATOM 1439 CG ASP A 94 -16.879 -13.881 -16.074 1.00 51.25 C ATOM 1440 OD1 ASP A 94 -17.672 -14.132 -17.006 1.00 10.03 O ATOM 1441 OD2 ASP A 94 -15.829 -14.527 -15.875 1.00 70.24 O ATOM 0 H ASP A 94 -17.094 -11.534 -17.340 1.00 63.31 H new ATOM 0 HA ASP A 94 -19.271 -12.394 -15.632 1.00 33.23 H new ATOM 0 HB2 ASP A 94 -16.314 -12.132 -14.979 1.00 52.32 H new ATOM 0 HB3 ASP A 94 -17.500 -13.135 -14.167 1.00 52.32 H new ATOM 1446 N GLY A 95 -17.625 -9.597 -15.097 1.00 22.31 N ATOM 1447 CA GLY A 95 -17.662 -8.360 -14.339 1.00 24.43 C ATOM 1448 C GLY A 95 -16.766 -8.403 -13.117 1.00 4.43 C ATOM 1449 O GLY A 95 -16.879 -7.562 -12.225 1.00 11.34 O ATOM 0 H GLY A 95 -16.924 -9.625 -15.837 1.00 22.31 H new ATOM 0 HA2 GLY A 95 -17.356 -7.534 -14.981 1.00 24.43 H new ATOM 0 HA3 GLY A 95 -18.687 -8.159 -14.028 1.00 24.43 H new ATOM 1453 N LYS A 96 -15.872 -9.385 -13.074 1.00 34.34 N ATOM 1454 CA LYS A 96 -14.953 -9.535 -11.952 1.00 62.51 C ATOM 1455 C LYS A 96 -13.626 -10.130 -12.413 1.00 3.15 C ATOM 1456 O LYS A 96 -13.584 -11.238 -12.948 1.00 40.35 O ATOM 1457 CB LYS A 96 -15.574 -10.424 -10.872 1.00 12.31 C ATOM 1458 CG LYS A 96 -15.973 -11.801 -11.372 1.00 70.22 C ATOM 1459 CD LYS A 96 -17.474 -12.017 -11.275 1.00 0.12 C ATOM 1460 CE LYS A 96 -17.833 -12.912 -10.099 1.00 13.14 C ATOM 1461 NZ LYS A 96 -19.002 -12.388 -9.340 1.00 13.44 N ATOM 0 H LYS A 96 -15.764 -10.089 -13.804 1.00 34.34 H new ATOM 0 HA LYS A 96 -14.764 -8.546 -11.535 1.00 62.51 H new ATOM 0 HB2 LYS A 96 -14.864 -10.536 -10.053 1.00 12.31 H new ATOM 0 HB3 LYS A 96 -16.454 -9.926 -10.465 1.00 12.31 H new ATOM 0 HG2 LYS A 96 -15.654 -11.920 -12.407 1.00 70.22 H new ATOM 0 HG3 LYS A 96 -15.456 -12.564 -10.790 1.00 70.22 H new ATOM 0 HD2 LYS A 96 -17.975 -11.055 -11.168 1.00 0.12 H new ATOM 0 HD3 LYS A 96 -17.839 -12.465 -12.199 1.00 0.12 H new ATOM 0 HE2 LYS A 96 -18.055 -13.916 -10.461 1.00 13.14 H new ATOM 0 HE3 LYS A 96 -16.975 -12.997 -9.432 1.00 13.14 H new ATOM 0 HZ1 LYS A 96 -19.215 -13.026 -8.547 1.00 13.44 H new ATOM 0 HZ2 LYS A 96 -18.781 -11.440 -8.973 1.00 13.44 H new ATOM 0 HZ3 LYS A 96 -19.828 -12.331 -9.970 1.00 13.44 H new ATOM 1475 N ILE A 97 -12.544 -9.388 -12.199 1.00 14.21 N ATOM 1476 CA ILE A 97 -11.216 -9.844 -12.590 1.00 13.41 C ATOM 1477 C ILE A 97 -10.744 -10.989 -11.700 1.00 51.35 C ATOM 1478 O ILE A 97 -11.106 -11.068 -10.527 1.00 55.35 O ATOM 1479 CB ILE A 97 -10.187 -8.700 -12.525 1.00 2.13 C ATOM 1480 CG1 ILE A 97 -10.545 -7.604 -13.530 1.00 54.14 C ATOM 1481 CG2 ILE A 97 -8.786 -9.232 -12.790 1.00 34.12 C ATOM 1482 CD1 ILE A 97 -10.183 -7.951 -14.957 1.00 43.03 C ATOM 0 H ILE A 97 -12.561 -8.469 -11.757 1.00 14.21 H new ATOM 0 HA ILE A 97 -11.293 -10.195 -13.619 1.00 13.41 H new ATOM 0 HB ILE A 97 -10.208 -8.269 -11.524 1.00 2.13 H new ATOM 0 HG12 ILE A 97 -11.615 -7.406 -13.473 1.00 54.14 H new ATOM 0 HG13 ILE A 97 -10.035 -6.683 -13.248 1.00 54.14 H new ATOM 0 HG21 ILE A 97 -8.070 -8.412 -12.741 1.00 34.12 H new ATOM 0 HG22 ILE A 97 -8.533 -9.980 -12.039 1.00 34.12 H new ATOM 0 HG23 ILE A 97 -8.750 -9.686 -13.780 1.00 34.12 H new ATOM 0 HD11 ILE A 97 -10.465 -7.129 -15.614 1.00 43.03 H new ATOM 0 HD12 ILE A 97 -9.109 -8.120 -15.029 1.00 43.03 H new ATOM 0 HD13 ILE A 97 -10.714 -8.854 -15.258 1.00 43.03 H new ATOM 1494 N GLY A 98 -9.931 -11.875 -12.267 1.00 42.25 N ATOM 1495 CA GLY A 98 -9.420 -13.003 -11.511 1.00 73.33 C ATOM 1496 C GLY A 98 -7.927 -13.192 -11.689 1.00 22.23 C ATOM 1497 O GLY A 98 -7.213 -12.253 -12.038 1.00 42.22 O ATOM 0 H GLY A 98 -9.617 -11.832 -13.237 1.00 42.25 H new ATOM 0 HA2 GLY A 98 -9.641 -12.858 -10.454 1.00 73.33 H new ATOM 0 HA3 GLY A 98 -9.938 -13.910 -11.823 1.00 73.33 H new ATOM 1501 N ALA A 99 -7.453 -14.410 -11.446 1.00 0.13 N ATOM 1502 CA ALA A 99 -6.035 -14.719 -11.581 1.00 1.20 C ATOM 1503 C ALA A 99 -5.762 -15.492 -12.866 1.00 62.53 C ATOM 1504 O ALA A 99 -4.638 -15.929 -13.111 1.00 62.21 O ATOM 1505 CB ALA A 99 -5.549 -15.508 -10.374 1.00 72.03 C ATOM 0 H ALA A 99 -8.031 -15.199 -11.155 1.00 0.13 H new ATOM 0 HA ALA A 99 -5.487 -13.778 -11.630 1.00 1.20 H new ATOM 0 HB1 ALA A 99 -4.488 -15.732 -10.489 1.00 72.03 H new ATOM 0 HB2 ALA A 99 -5.700 -14.919 -9.469 1.00 72.03 H new ATOM 0 HB3 ALA A 99 -6.110 -16.439 -10.298 1.00 72.03 H new ATOM 1511 N GLU A 100 -6.797 -15.659 -13.683 1.00 55.41 N ATOM 1512 CA GLU A 100 -6.668 -16.382 -14.943 1.00 3.42 C ATOM 1513 C GLU A 100 -6.973 -15.469 -16.128 1.00 24.55 C ATOM 1514 O GLU A 100 -6.768 -15.845 -17.281 1.00 44.03 O ATOM 1515 CB GLU A 100 -7.605 -17.591 -14.961 1.00 54.44 C ATOM 1516 CG GLU A 100 -7.119 -18.724 -15.849 1.00 33.33 C ATOM 1517 CD GLU A 100 -8.244 -19.638 -16.296 1.00 44.03 C ATOM 1518 OE1 GLU A 100 -8.922 -19.300 -17.289 1.00 32.11 O ATOM 1519 OE2 GLU A 100 -8.445 -20.690 -15.655 1.00 12.15 O ATOM 0 H GLU A 100 -7.734 -15.303 -13.495 1.00 55.41 H new ATOM 0 HA GLU A 100 -5.638 -16.729 -15.030 1.00 3.42 H new ATOM 0 HB2 GLU A 100 -7.724 -17.963 -13.943 1.00 54.44 H new ATOM 0 HB3 GLU A 100 -8.590 -17.272 -15.300 1.00 54.44 H new ATOM 0 HG2 GLU A 100 -6.624 -18.307 -16.726 1.00 33.33 H new ATOM 0 HG3 GLU A 100 -6.373 -19.309 -15.310 1.00 33.33 H new ATOM 1526 N GLU A 101 -7.464 -14.270 -15.832 1.00 41.04 N ATOM 1527 CA GLU A 101 -7.798 -13.305 -16.873 1.00 53.02 C ATOM 1528 C GLU A 101 -7.059 -11.988 -16.652 1.00 72.32 C ATOM 1529 O GLU A 101 -7.233 -11.032 -17.407 1.00 52.53 O ATOM 1530 CB GLU A 101 -9.308 -13.056 -16.903 1.00 62.31 C ATOM 1531 CG GLU A 101 -9.840 -12.390 -15.645 1.00 61.05 C ATOM 1532 CD GLU A 101 -11.205 -12.913 -15.241 1.00 42.43 C ATOM 1533 OE1 GLU A 101 -11.754 -13.764 -15.970 1.00 74.43 O ATOM 1534 OE2 GLU A 101 -11.723 -12.469 -14.195 1.00 71.20 O ATOM 0 H GLU A 101 -7.639 -13.944 -14.882 1.00 41.04 H new ATOM 0 HA GLU A 101 -7.486 -13.720 -17.831 1.00 53.02 H new ATOM 0 HB2 GLU A 101 -9.548 -12.432 -17.764 1.00 62.31 H new ATOM 0 HB3 GLU A 101 -9.822 -14.007 -17.046 1.00 62.31 H new ATOM 0 HG2 GLU A 101 -9.137 -12.551 -14.828 1.00 61.05 H new ATOM 0 HG3 GLU A 101 -9.900 -11.314 -15.806 1.00 61.05 H new ATOM 1541 N PHE A 102 -6.234 -11.947 -15.611 1.00 60.34 N ATOM 1542 CA PHE A 102 -5.469 -10.748 -15.289 1.00 71.40 C ATOM 1543 C PHE A 102 -4.141 -10.732 -16.040 1.00 60.22 C ATOM 1544 O PHE A 102 -3.930 -9.908 -16.930 1.00 21.43 O ATOM 1545 CB PHE A 102 -5.217 -10.669 -13.782 1.00 44.30 C ATOM 1546 CG PHE A 102 -4.446 -9.448 -13.367 1.00 14.20 C ATOM 1547 CD1 PHE A 102 -5.097 -8.246 -13.140 1.00 53.25 C ATOM 1548 CD2 PHE A 102 -3.072 -9.502 -13.203 1.00 23.32 C ATOM 1549 CE1 PHE A 102 -4.391 -7.121 -12.759 1.00 42.23 C ATOM 1550 CE2 PHE A 102 -2.360 -8.381 -12.821 1.00 42.43 C ATOM 1551 CZ PHE A 102 -3.021 -7.189 -12.598 1.00 44.53 C ATOM 0 H PHE A 102 -6.078 -12.730 -14.976 1.00 60.34 H new ATOM 0 HA PHE A 102 -6.052 -9.881 -15.599 1.00 71.40 H new ATOM 0 HB2 PHE A 102 -6.174 -10.679 -13.260 1.00 44.30 H new ATOM 0 HB3 PHE A 102 -4.672 -11.558 -13.466 1.00 44.30 H new ATOM 0 HD1 PHE A 102 -6.168 -8.188 -13.262 1.00 53.25 H new ATOM 0 HD2 PHE A 102 -2.550 -10.432 -13.376 1.00 23.32 H new ATOM 0 HE1 PHE A 102 -4.910 -6.190 -12.587 1.00 42.23 H new ATOM 0 HE2 PHE A 102 -1.289 -8.437 -12.697 1.00 42.43 H new ATOM 0 HZ PHE A 102 -2.467 -6.311 -12.298 1.00 44.53 H new ATOM 1561 N GLN A 103 -3.250 -11.648 -15.674 1.00 61.03 N ATOM 1562 CA GLN A 103 -1.942 -11.738 -16.312 1.00 61.34 C ATOM 1563 C GLN A 103 -2.079 -11.781 -17.831 1.00 2.02 C ATOM 1564 O GLN A 103 -1.263 -11.209 -18.553 1.00 11.33 O ATOM 1565 CB GLN A 103 -1.196 -12.980 -15.821 1.00 4.44 C ATOM 1566 CG GLN A 103 -1.928 -14.281 -16.103 1.00 62.53 C ATOM 1567 CD GLN A 103 -1.896 -15.236 -14.926 1.00 71.43 C ATOM 1568 OE1 GLN A 103 -2.255 -14.738 -13.749 1.00 14.30 O flip ATOM 1569 NE2 GLN A 103 -1.552 -16.410 -15.073 1.00 53.32 N flip ATOM 0 H GLN A 103 -3.410 -12.338 -14.940 1.00 61.03 H new ATOM 0 HA GLN A 103 -1.372 -10.849 -16.041 1.00 61.34 H new ATOM 0 HB2 GLN A 103 -0.215 -13.015 -16.295 1.00 4.44 H new ATOM 0 HB3 GLN A 103 -1.029 -12.892 -14.747 1.00 4.44 H new ATOM 0 HG2 GLN A 103 -2.964 -14.062 -16.360 1.00 62.53 H new ATOM 0 HG3 GLN A 103 -1.480 -14.765 -16.971 1.00 62.53 H new ATOM 0 HE21 GLN A 103 -1.284 -16.751 -15.996 1.00 53.32 H new ATOM 0 HE22 GLN A 103 -1.535 -17.041 -14.272 1.00 53.32 H new ATOM 1578 N GLU A 104 -3.115 -12.463 -18.308 1.00 33.33 N ATOM 1579 CA GLU A 104 -3.357 -12.581 -19.741 1.00 31.11 C ATOM 1580 C GLU A 104 -3.462 -11.204 -20.390 1.00 13.02 C ATOM 1581 O GLU A 104 -3.097 -11.024 -21.551 1.00 5.00 O ATOM 1582 CB GLU A 104 -4.637 -13.379 -20.001 1.00 1.52 C ATOM 1583 CG GLU A 104 -4.718 -14.674 -19.210 1.00 51.33 C ATOM 1584 CD GLU A 104 -3.526 -15.579 -19.450 1.00 61.44 C ATOM 1585 OE1 GLU A 104 -2.412 -15.221 -19.014 1.00 41.32 O ATOM 1586 OE2 GLU A 104 -3.706 -16.646 -20.074 1.00 54.11 O ATOM 0 H GLU A 104 -3.800 -12.942 -17.723 1.00 33.33 H new ATOM 0 HA GLU A 104 -2.512 -13.109 -20.184 1.00 31.11 H new ATOM 0 HB2 GLU A 104 -5.498 -12.758 -19.755 1.00 1.52 H new ATOM 0 HB3 GLU A 104 -4.703 -13.608 -21.065 1.00 1.52 H new ATOM 0 HG2 GLU A 104 -4.786 -14.443 -18.147 1.00 51.33 H new ATOM 0 HG3 GLU A 104 -5.632 -15.204 -19.480 1.00 51.33 H new ATOM 1593 N MET A 105 -3.965 -10.236 -19.631 1.00 54.31 N ATOM 1594 CA MET A 105 -4.118 -8.875 -20.132 1.00 14.42 C ATOM 1595 C MET A 105 -2.804 -8.107 -20.031 1.00 21.31 C ATOM 1596 O MET A 105 -2.638 -7.057 -20.651 1.00 2.43 O ATOM 1597 CB MET A 105 -5.212 -8.141 -19.352 1.00 25.41 C ATOM 1598 CG MET A 105 -4.699 -7.428 -18.112 1.00 4.33 C ATOM 1599 SD MET A 105 -4.617 -5.639 -18.324 1.00 3.03 S ATOM 1600 CE MET A 105 -6.331 -5.262 -18.681 1.00 3.52 C ATOM 0 H MET A 105 -4.273 -10.369 -18.668 1.00 54.31 H new ATOM 0 HA MET A 105 -4.406 -8.932 -21.182 1.00 14.42 H new ATOM 0 HB2 MET A 105 -5.689 -7.413 -20.008 1.00 25.41 H new ATOM 0 HB3 MET A 105 -5.980 -8.857 -19.058 1.00 25.41 H new ATOM 0 HG2 MET A 105 -5.349 -7.661 -17.269 1.00 4.33 H new ATOM 0 HG3 MET A 105 -3.707 -7.807 -17.864 1.00 4.33 H new ATOM 0 HE1 MET A 105 -6.395 -4.718 -19.623 1.00 3.52 H new ATOM 0 HE2 MET A 105 -6.899 -6.189 -18.758 1.00 3.52 H new ATOM 0 HE3 MET A 105 -6.743 -4.649 -17.880 1.00 3.52 H new ATOM 1610 N VAL A 106 -1.872 -8.639 -19.246 1.00 12.32 N ATOM 1611 CA VAL A 106 -0.572 -8.004 -19.065 1.00 31.04 C ATOM 1612 C VAL A 106 0.381 -8.370 -20.197 1.00 73.10 C ATOM 1613 O VAL A 106 0.594 -7.584 -21.120 1.00 31.04 O ATOM 1614 CB VAL A 106 0.066 -8.405 -17.721 1.00 61.45 C ATOM 1615 CG1 VAL A 106 1.288 -7.547 -17.433 1.00 41.20 C ATOM 1616 CG2 VAL A 106 -0.951 -8.296 -16.595 1.00 44.02 C ATOM 0 H VAL A 106 -1.993 -9.508 -18.726 1.00 12.32 H new ATOM 0 HA VAL A 106 -0.742 -6.927 -19.071 1.00 31.04 H new ATOM 0 HB VAL A 106 0.389 -9.444 -17.787 1.00 61.45 H new ATOM 0 HG11 VAL A 106 1.725 -7.845 -16.480 1.00 41.20 H new ATOM 0 HG12 VAL A 106 2.023 -7.682 -18.227 1.00 41.20 H new ATOM 0 HG13 VAL A 106 0.993 -6.499 -17.385 1.00 41.20 H new ATOM 0 HG21 VAL A 106 -0.483 -8.583 -15.653 1.00 44.02 H new ATOM 0 HG22 VAL A 106 -1.307 -7.268 -16.525 1.00 44.02 H new ATOM 0 HG23 VAL A 106 -1.792 -8.959 -16.799 1.00 44.02 H new ATOM 1626 N GLN A 107 0.950 -9.568 -20.120 1.00 22.53 N ATOM 1627 CA GLN A 107 1.881 -10.039 -21.139 1.00 10.50 C ATOM 1628 C GLN A 107 1.202 -10.115 -22.502 1.00 71.24 C ATOM 1629 O GLN A 107 1.825 -9.856 -23.532 1.00 75.43 O ATOM 1630 CB GLN A 107 2.439 -11.410 -20.756 1.00 63.32 C ATOM 1631 CG GLN A 107 3.200 -11.412 -19.440 1.00 42.22 C ATOM 1632 CD GLN A 107 2.776 -12.541 -18.522 1.00 60.11 C ATOM 1633 OE1 GLN A 107 3.589 -13.381 -18.136 1.00 22.22 O ATOM 1634 NE2 GLN A 107 1.497 -12.567 -18.167 1.00 73.11 N ATOM 0 H GLN A 107 0.783 -10.231 -19.363 1.00 22.53 H new ATOM 0 HA GLN A 107 2.703 -9.326 -21.202 1.00 10.50 H new ATOM 0 HB2 GLN A 107 1.617 -12.122 -20.691 1.00 63.32 H new ATOM 0 HB3 GLN A 107 3.101 -11.758 -21.549 1.00 63.32 H new ATOM 0 HG2 GLN A 107 4.268 -11.495 -19.642 1.00 42.22 H new ATOM 0 HG3 GLN A 107 3.045 -10.459 -18.934 1.00 42.22 H new ATOM 0 HE21 GLN A 107 0.858 -11.850 -18.511 1.00 73.11 H new ATOM 0 HE22 GLN A 107 1.154 -13.304 -17.551 1.00 73.11 H new ATOM 1643 N SER A 108 -0.078 -10.473 -22.501 1.00 52.22 N ATOM 1644 CA SER A 108 -0.841 -10.588 -23.739 1.00 0.23 C ATOM 1645 C SER A 108 -2.030 -9.632 -23.735 1.00 11.13 C ATOM 1646 O SER A 108 -3.005 -9.835 -24.456 1.00 61.55 O ATOM 1647 CB SER A 108 -1.328 -12.025 -23.931 1.00 32.23 C ATOM 1648 OG SER A 108 -1.521 -12.319 -25.303 1.00 71.34 O ATOM 0 H SER A 108 -0.609 -10.688 -21.657 1.00 52.22 H new ATOM 0 HA SER A 108 -0.185 -10.321 -24.567 1.00 0.23 H new ATOM 0 HB2 SER A 108 -0.602 -12.718 -23.506 1.00 32.23 H new ATOM 0 HB3 SER A 108 -2.263 -12.171 -23.390 1.00 32.23 H new ATOM 0 HG SER A 108 -2.083 -11.627 -25.710 1.00 71.34 H new