USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 687 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 76 SER OG : rot 69:sc= 0.573 USER MOD Set 1.2: A 77 SER OG : rot 98:sc= 0.671 USER MOD Single : A 3 SER OG : rot -29:sc= 0.11 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 7 LYS NZ :NH3+ -112:sc= -0.541 (180deg=-3.1!) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 37:sc= 0.457 USER MOD Single : A 42 CYS SG : rot -140:sc= -0.719 USER MOD Single : A 47 SER OG : rot 97:sc= 0.187 USER MOD Single : A 62 GLN : amide:sc= -2.29! C(o=-2.3!,f=-3.8!) USER MOD Single : A 64 HIS : no HD1:sc= -4.94! C(o=-4.9!,f=-5.6!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 152:sc= -0.0942 (180deg=-1.03) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0274) USER MOD ----------------------------------------------------------------- ATOM 35 N SER A 3 2.963 -5.250 -2.255 1.00 73.35 N ATOM 36 CA SER A 3 2.108 -6.243 -2.896 1.00 21.44 C ATOM 37 C SER A 3 2.576 -7.657 -2.564 1.00 70.23 C ATOM 38 O SER A 3 3.736 -7.873 -2.212 1.00 23.30 O ATOM 39 CB SER A 3 2.100 -6.039 -4.412 1.00 11.23 C ATOM 40 OG SER A 3 3.415 -6.072 -4.938 1.00 2.10 O ATOM 0 HA SER A 3 1.095 -6.115 -2.515 1.00 21.44 H new ATOM 0 HB2 SER A 3 1.497 -6.815 -4.883 1.00 11.23 H new ATOM 0 HB3 SER A 3 1.633 -5.083 -4.651 1.00 11.23 H new ATOM 0 HG SER A 3 4.046 -5.751 -4.261 1.00 2.10 H new ATOM 46 N LEU A 4 1.665 -8.617 -2.680 1.00 20.12 N ATOM 47 CA LEU A 4 1.983 -10.012 -2.393 1.00 54.20 C ATOM 48 C LEU A 4 1.378 -10.936 -3.446 1.00 11.55 C ATOM 49 O LEU A 4 0.223 -10.773 -3.841 1.00 41.32 O ATOM 50 CB LEU A 4 1.469 -10.397 -1.004 1.00 63.15 C ATOM 51 CG LEU A 4 1.626 -9.338 0.087 1.00 45.30 C ATOM 52 CD1 LEU A 4 0.912 -9.771 1.358 1.00 50.52 C ATOM 53 CD2 LEU A 4 3.099 -9.073 0.365 1.00 50.42 C ATOM 0 H LEU A 4 0.701 -8.455 -2.971 1.00 20.12 H new ATOM 0 HA LEU A 4 3.067 -10.125 -2.417 1.00 54.20 H new ATOM 0 HB2 LEU A 4 0.412 -10.650 -1.087 1.00 63.15 H new ATOM 0 HB3 LEU A 4 1.989 -11.300 -0.684 1.00 63.15 H new ATOM 0 HG LEU A 4 1.170 -8.412 -0.264 1.00 45.30 H new ATOM 0 HD11 LEU A 4 1.035 -9.005 2.123 1.00 50.52 H new ATOM 0 HD12 LEU A 4 -0.149 -9.910 1.150 1.00 50.52 H new ATOM 0 HD13 LEU A 4 1.338 -10.710 1.713 1.00 50.52 H new ATOM 0 HD21 LEU A 4 3.192 -8.317 1.144 1.00 50.42 H new ATOM 0 HD22 LEU A 4 3.579 -9.995 0.695 1.00 50.42 H new ATOM 0 HD23 LEU A 4 3.583 -8.718 -0.545 1.00 50.42 H new ATOM 65 N THR A 5 2.165 -11.908 -3.895 1.00 23.14 N ATOM 66 CA THR A 5 1.708 -12.859 -4.900 1.00 51.21 C ATOM 67 C THR A 5 0.829 -13.937 -4.277 1.00 74.24 C ATOM 68 O THR A 5 1.133 -14.457 -3.204 1.00 31.32 O ATOM 69 CB THR A 5 2.893 -13.531 -5.618 1.00 43.45 C ATOM 70 OG1 THR A 5 4.083 -13.395 -4.833 1.00 51.40 O ATOM 71 CG2 THR A 5 3.113 -12.915 -6.992 1.00 2.31 C ATOM 0 H THR A 5 3.123 -12.057 -3.578 1.00 23.14 H new ATOM 0 HA THR A 5 1.125 -12.294 -5.627 1.00 51.21 H new ATOM 0 HB THR A 5 2.660 -14.588 -5.744 1.00 43.45 H new ATOM 0 HG1 THR A 5 4.831 -13.826 -5.296 1.00 51.40 H new ATOM 0 HG21 THR A 5 3.955 -13.406 -7.480 1.00 2.31 H new ATOM 0 HG22 THR A 5 2.216 -13.046 -7.597 1.00 2.31 H new ATOM 0 HG23 THR A 5 3.326 -11.851 -6.884 1.00 2.31 H new ATOM 79 N VAL A 6 -0.264 -14.270 -4.958 1.00 44.12 N ATOM 80 CA VAL A 6 -1.187 -15.288 -4.472 1.00 63.52 C ATOM 81 C VAL A 6 -1.321 -16.430 -5.473 1.00 75.52 C ATOM 82 O VAL A 6 -1.824 -16.244 -6.581 1.00 51.35 O ATOM 83 CB VAL A 6 -2.581 -14.696 -4.195 1.00 52.03 C ATOM 84 CG1 VAL A 6 -3.092 -13.940 -5.412 1.00 43.04 C ATOM 85 CG2 VAL A 6 -3.555 -15.793 -3.791 1.00 40.35 C ATOM 0 H VAL A 6 -0.531 -13.849 -5.848 1.00 44.12 H new ATOM 0 HA VAL A 6 -0.773 -15.672 -3.540 1.00 63.52 H new ATOM 0 HB VAL A 6 -2.499 -13.991 -3.367 1.00 52.03 H new ATOM 0 HG11 VAL A 6 -4.078 -13.529 -5.197 1.00 43.04 H new ATOM 0 HG12 VAL A 6 -2.405 -13.128 -5.651 1.00 43.04 H new ATOM 0 HG13 VAL A 6 -3.160 -14.620 -6.261 1.00 43.04 H new ATOM 0 HG21 VAL A 6 -4.535 -15.357 -3.599 1.00 40.35 H new ATOM 0 HG22 VAL A 6 -3.634 -16.524 -4.596 1.00 40.35 H new ATOM 0 HG23 VAL A 6 -3.194 -16.286 -2.888 1.00 40.35 H new ATOM 95 N LYS A 7 -0.869 -17.615 -5.075 1.00 54.13 N ATOM 96 CA LYS A 7 -0.940 -18.790 -5.936 1.00 14.22 C ATOM 97 C LYS A 7 -2.176 -19.625 -5.616 1.00 53.41 C ATOM 98 O LYS A 7 -2.453 -19.921 -4.454 1.00 62.33 O ATOM 99 CB LYS A 7 0.320 -19.643 -5.774 1.00 50.30 C ATOM 100 CG LYS A 7 1.610 -18.867 -5.980 1.00 33.34 C ATOM 101 CD LYS A 7 2.672 -19.720 -6.652 1.00 23.53 C ATOM 102 CE LYS A 7 3.162 -20.828 -5.731 1.00 71.24 C ATOM 103 NZ LYS A 7 4.272 -20.368 -4.852 1.00 22.30 N ATOM 0 H LYS A 7 -0.450 -17.787 -4.161 1.00 54.13 H new ATOM 0 HA LYS A 7 -1.011 -18.449 -6.969 1.00 14.22 H new ATOM 0 HB2 LYS A 7 0.325 -20.083 -4.777 1.00 50.30 H new ATOM 0 HB3 LYS A 7 0.284 -20.468 -6.486 1.00 50.30 H new ATOM 0 HG2 LYS A 7 1.412 -17.985 -6.589 1.00 33.34 H new ATOM 0 HG3 LYS A 7 1.981 -18.514 -5.018 1.00 33.34 H new ATOM 0 HD2 LYS A 7 2.266 -20.157 -7.564 1.00 23.53 H new ATOM 0 HD3 LYS A 7 3.513 -19.092 -6.946 1.00 23.53 H new ATOM 0 HE2 LYS A 7 2.334 -21.182 -5.116 1.00 71.24 H new ATOM 0 HE3 LYS A 7 3.499 -21.675 -6.329 1.00 71.24 H new ATOM 0 HZ1 LYS A 7 5.153 -20.850 -5.124 1.00 22.30 H new ATOM 0 HZ2 LYS A 7 4.394 -19.340 -4.956 1.00 22.30 H new ATOM 0 HZ3 LYS A 7 4.046 -20.592 -3.862 1.00 22.30 H new ATOM 117 N ALA A 8 -2.915 -20.001 -6.655 1.00 33.24 N ATOM 118 CA ALA A 8 -4.119 -20.805 -6.484 1.00 14.31 C ATOM 119 C ALA A 8 -3.960 -22.177 -7.129 1.00 65.12 C ATOM 120 O ALA A 8 -3.197 -22.341 -8.082 1.00 51.10 O ATOM 121 CB ALA A 8 -5.324 -20.082 -7.069 1.00 3.45 C ATOM 0 H ALA A 8 -2.701 -19.762 -7.623 1.00 33.24 H new ATOM 0 HA ALA A 8 -4.279 -20.951 -5.416 1.00 14.31 H new ATOM 0 HB1 ALA A 8 -6.216 -20.694 -6.934 1.00 3.45 H new ATOM 0 HB2 ALA A 8 -5.458 -19.128 -6.560 1.00 3.45 H new ATOM 0 HB3 ALA A 8 -5.162 -19.906 -8.132 1.00 3.45 H new ATOM 127 N TYR A 9 -4.682 -23.160 -6.604 1.00 31.21 N ATOM 128 CA TYR A 9 -4.618 -24.520 -7.127 1.00 43.31 C ATOM 129 C TYR A 9 -6.010 -25.034 -7.481 1.00 42.44 C ATOM 130 O TYR A 9 -6.880 -25.152 -6.617 1.00 43.23 O ATOM 131 CB TYR A 9 -3.963 -25.451 -6.106 1.00 22.13 C ATOM 132 CG TYR A 9 -2.551 -25.052 -5.740 1.00 40.02 C ATOM 133 CD1 TYR A 9 -1.487 -25.334 -6.588 1.00 41.13 C ATOM 134 CD2 TYR A 9 -2.281 -24.394 -4.547 1.00 23.02 C ATOM 135 CE1 TYR A 9 -0.195 -24.972 -6.258 1.00 52.23 C ATOM 136 CE2 TYR A 9 -0.992 -24.027 -4.209 1.00 55.14 C ATOM 137 CZ TYR A 9 0.047 -24.318 -5.068 1.00 72.12 C ATOM 138 OH TYR A 9 1.332 -23.955 -4.735 1.00 33.30 O ATOM 0 H TYR A 9 -5.319 -23.041 -5.816 1.00 31.21 H new ATOM 0 HA TYR A 9 -4.015 -24.505 -8.035 1.00 43.31 H new ATOM 0 HB2 TYR A 9 -4.572 -25.471 -5.202 1.00 22.13 H new ATOM 0 HB3 TYR A 9 -3.953 -26.465 -6.506 1.00 22.13 H new ATOM 0 HD1 TYR A 9 -1.673 -25.845 -7.521 1.00 41.13 H new ATOM 0 HD2 TYR A 9 -3.092 -24.165 -3.872 1.00 23.02 H new ATOM 0 HE1 TYR A 9 0.621 -25.200 -6.928 1.00 52.23 H new ATOM 0 HE2 TYR A 9 -0.800 -23.515 -3.278 1.00 55.14 H new ATOM 0 HH TYR A 9 1.329 -23.503 -3.866 1.00 33.30 H new ATOM 148 N LEU A 10 -6.213 -25.338 -8.758 1.00 74.32 N ATOM 149 CA LEU A 10 -7.499 -25.841 -9.229 1.00 53.23 C ATOM 150 C LEU A 10 -7.585 -27.355 -9.067 1.00 63.13 C ATOM 151 O LEU A 10 -6.718 -28.091 -9.542 1.00 13.13 O ATOM 152 CB LEU A 10 -7.712 -25.461 -10.696 1.00 5.43 C ATOM 153 CG LEU A 10 -8.944 -26.061 -11.373 1.00 41.12 C ATOM 154 CD1 LEU A 10 -10.192 -25.792 -10.547 1.00 3.24 C ATOM 155 CD2 LEU A 10 -9.104 -25.504 -12.780 1.00 45.32 C ATOM 0 H LEU A 10 -5.504 -25.245 -9.486 1.00 74.32 H new ATOM 0 HA LEU A 10 -8.282 -25.384 -8.624 1.00 53.23 H new ATOM 0 HB2 LEU A 10 -7.778 -24.375 -10.763 1.00 5.43 H new ATOM 0 HB3 LEU A 10 -6.829 -25.762 -11.260 1.00 5.43 H new ATOM 0 HG LEU A 10 -8.806 -27.140 -11.444 1.00 41.12 H new ATOM 0 HD11 LEU A 10 -11.059 -26.227 -11.045 1.00 3.24 H new ATOM 0 HD12 LEU A 10 -10.078 -26.240 -9.560 1.00 3.24 H new ATOM 0 HD13 LEU A 10 -10.335 -24.716 -10.443 1.00 3.24 H new ATOM 0 HD21 LEU A 10 -9.986 -25.942 -13.247 1.00 45.32 H new ATOM 0 HD22 LEU A 10 -9.219 -24.421 -12.732 1.00 45.32 H new ATOM 0 HD23 LEU A 10 -8.221 -25.749 -13.371 1.00 45.32 H new ATOM 167 N LEU A 11 -8.635 -27.815 -8.396 1.00 51.44 N ATOM 168 CA LEU A 11 -8.836 -29.242 -8.173 1.00 62.35 C ATOM 169 C LEU A 11 -10.052 -29.748 -8.943 1.00 2.01 C ATOM 170 O LEU A 11 -11.065 -29.058 -9.045 1.00 73.13 O ATOM 171 CB LEU A 11 -9.009 -29.526 -6.680 1.00 64.13 C ATOM 172 CG LEU A 11 -8.165 -28.672 -5.733 1.00 34.12 C ATOM 173 CD1 LEU A 11 -8.304 -29.167 -4.302 1.00 31.34 C ATOM 174 CD2 LEU A 11 -6.706 -28.681 -6.163 1.00 42.11 C ATOM 0 H LEU A 11 -9.361 -27.220 -7.997 1.00 51.44 H new ATOM 0 HA LEU A 11 -7.954 -29.769 -8.537 1.00 62.35 H new ATOM 0 HB2 LEU A 11 -10.059 -29.388 -6.423 1.00 64.13 H new ATOM 0 HB3 LEU A 11 -8.772 -30.575 -6.500 1.00 64.13 H new ATOM 0 HG LEU A 11 -8.529 -27.646 -5.778 1.00 34.12 H new ATOM 0 HD11 LEU A 11 -7.697 -28.548 -3.642 1.00 31.34 H new ATOM 0 HD12 LEU A 11 -9.348 -29.107 -3.996 1.00 31.34 H new ATOM 0 HD13 LEU A 11 -7.967 -30.202 -4.241 1.00 31.34 H new ATOM 0 HD21 LEU A 11 -6.121 -28.068 -5.477 1.00 42.11 H new ATOM 0 HD22 LEU A 11 -6.329 -29.703 -6.148 1.00 42.11 H new ATOM 0 HD23 LEU A 11 -6.622 -28.278 -7.172 1.00 42.11 H new ATOM 186 N GLY A 12 -9.944 -30.959 -9.481 1.00 61.11 N ATOM 187 CA GLY A 12 -11.042 -31.538 -10.232 1.00 54.44 C ATOM 188 C GLY A 12 -11.787 -32.598 -9.446 1.00 73.35 C ATOM 189 O GLY A 12 -12.417 -32.302 -8.431 1.00 31.01 O ATOM 0 H GLY A 12 -9.115 -31.549 -9.410 1.00 61.11 H new ATOM 0 HA2 GLY A 12 -11.736 -30.749 -10.521 1.00 54.44 H new ATOM 0 HA3 GLY A 12 -10.657 -31.976 -11.153 1.00 54.44 H new ATOM 193 N LYS A 13 -11.718 -33.839 -9.917 1.00 3.00 N ATOM 194 CA LYS A 13 -12.391 -34.949 -9.252 1.00 43.34 C ATOM 195 C LYS A 13 -11.415 -35.733 -8.380 1.00 54.41 C ATOM 196 O LYS A 13 -11.782 -36.227 -7.315 1.00 31.52 O ATOM 197 CB LYS A 13 -13.027 -35.879 -10.287 1.00 73.32 C ATOM 198 CG LYS A 13 -13.946 -36.926 -9.680 1.00 42.24 C ATOM 199 CD LYS A 13 -13.208 -38.226 -9.410 1.00 3.05 C ATOM 200 CE LYS A 13 -13.793 -38.960 -8.213 1.00 61.30 C ATOM 201 NZ LYS A 13 -13.176 -40.304 -8.031 1.00 13.53 N ATOM 0 H LYS A 13 -11.203 -34.101 -10.757 1.00 3.00 H new ATOM 0 HA LYS A 13 -13.172 -34.538 -8.613 1.00 43.34 H new ATOM 0 HB2 LYS A 13 -13.593 -35.281 -11.001 1.00 73.32 H new ATOM 0 HB3 LYS A 13 -12.237 -36.381 -10.846 1.00 73.32 H new ATOM 0 HG2 LYS A 13 -14.368 -36.546 -8.750 1.00 42.24 H new ATOM 0 HG3 LYS A 13 -14.781 -37.114 -10.355 1.00 42.24 H new ATOM 0 HD2 LYS A 13 -13.260 -38.865 -10.291 1.00 3.05 H new ATOM 0 HD3 LYS A 13 -12.154 -38.017 -9.230 1.00 3.05 H new ATOM 0 HE2 LYS A 13 -13.641 -38.365 -7.312 1.00 61.30 H new ATOM 0 HE3 LYS A 13 -14.870 -39.069 -8.344 1.00 61.30 H new ATOM 0 HZ1 LYS A 13 -13.601 -40.772 -7.205 1.00 13.53 H new ATOM 0 HZ2 LYS A 13 -13.343 -40.881 -8.880 1.00 13.53 H new ATOM 0 HZ3 LYS A 13 -12.152 -40.199 -7.880 1.00 13.53 H new ATOM 215 N GLU A 14 -10.172 -35.840 -8.839 1.00 54.10 N ATOM 216 CA GLU A 14 -9.145 -36.563 -8.099 1.00 33.32 C ATOM 217 C GLU A 14 -8.332 -35.612 -7.226 1.00 31.04 C ATOM 218 O GLU A 14 -7.231 -35.944 -6.788 1.00 10.11 O ATOM 219 CB GLU A 14 -8.218 -37.306 -9.063 1.00 72.41 C ATOM 220 CG GLU A 14 -8.941 -38.297 -9.960 1.00 22.40 C ATOM 221 CD GLU A 14 -7.988 -39.204 -10.715 1.00 3.24 C ATOM 222 OE1 GLU A 14 -6.852 -38.767 -10.995 1.00 24.22 O ATOM 223 OE2 GLU A 14 -8.377 -40.349 -11.025 1.00 55.31 O ATOM 0 H GLU A 14 -9.852 -35.435 -9.719 1.00 54.10 H new ATOM 0 HA GLU A 14 -9.641 -37.287 -7.453 1.00 33.32 H new ATOM 0 HB2 GLU A 14 -7.696 -36.579 -9.685 1.00 72.41 H new ATOM 0 HB3 GLU A 14 -7.459 -37.836 -8.488 1.00 72.41 H new ATOM 0 HG2 GLU A 14 -9.613 -38.906 -9.355 1.00 22.40 H new ATOM 0 HG3 GLU A 14 -9.559 -37.752 -10.673 1.00 22.40 H new ATOM 230 N GLU A 15 -8.884 -34.428 -6.978 1.00 24.12 N ATOM 231 CA GLU A 15 -8.209 -33.428 -6.158 1.00 62.35 C ATOM 232 C GLU A 15 -6.821 -33.119 -6.711 1.00 45.33 C ATOM 233 O GLU A 15 -5.930 -32.691 -5.978 1.00 0.23 O ATOM 234 CB GLU A 15 -8.097 -33.913 -4.712 1.00 31.34 C ATOM 235 CG GLU A 15 -8.814 -33.020 -3.713 1.00 74.42 C ATOM 236 CD GLU A 15 -9.018 -33.693 -2.370 1.00 23.34 C ATOM 237 OE1 GLU A 15 -9.079 -34.940 -2.335 1.00 34.24 O ATOM 238 OE2 GLU A 15 -9.115 -32.974 -1.354 1.00 12.22 O ATOM 0 H GLU A 15 -9.795 -34.138 -7.333 1.00 24.12 H new ATOM 0 HA GLU A 15 -8.803 -32.514 -6.182 1.00 62.35 H new ATOM 0 HB2 GLU A 15 -8.505 -34.921 -4.643 1.00 31.34 H new ATOM 0 HB3 GLU A 15 -7.044 -33.976 -4.439 1.00 31.34 H new ATOM 0 HG2 GLU A 15 -8.240 -32.104 -3.573 1.00 74.42 H new ATOM 0 HG3 GLU A 15 -9.782 -32.730 -4.121 1.00 74.42 H new ATOM 245 N ALA A 16 -6.645 -33.339 -8.010 1.00 64.10 N ATOM 246 CA ALA A 16 -5.366 -33.083 -8.662 1.00 54.21 C ATOM 247 C ALA A 16 -5.327 -31.681 -9.262 1.00 75.41 C ATOM 248 O ALA A 16 -6.356 -31.140 -9.667 1.00 31.53 O ATOM 249 CB ALA A 16 -5.104 -34.127 -9.737 1.00 43.23 C ATOM 0 H ALA A 16 -7.372 -33.694 -8.632 1.00 64.10 H new ATOM 0 HA ALA A 16 -4.582 -33.149 -7.908 1.00 54.21 H new ATOM 0 HB1 ALA A 16 -4.146 -33.924 -10.216 1.00 43.23 H new ATOM 0 HB2 ALA A 16 -5.080 -35.118 -9.284 1.00 43.23 H new ATOM 0 HB3 ALA A 16 -5.898 -34.088 -10.483 1.00 43.23 H new ATOM 255 N ALA A 17 -4.134 -31.099 -9.316 1.00 13.45 N ATOM 256 CA ALA A 17 -3.962 -29.761 -9.867 1.00 42.53 C ATOM 257 C ALA A 17 -4.247 -29.743 -11.365 1.00 64.53 C ATOM 258 O ALA A 17 -3.452 -30.241 -12.163 1.00 51.14 O ATOM 259 CB ALA A 17 -2.555 -29.253 -9.590 1.00 4.41 C ATOM 0 H ALA A 17 -3.272 -31.533 -8.985 1.00 13.45 H new ATOM 0 HA ALA A 17 -4.678 -29.100 -9.379 1.00 42.53 H new ATOM 0 HB1 ALA A 17 -2.441 -28.253 -10.007 1.00 4.41 H new ATOM 0 HB2 ALA A 17 -2.386 -29.219 -8.514 1.00 4.41 H new ATOM 0 HB3 ALA A 17 -1.829 -29.923 -10.050 1.00 4.41 H new ATOM 265 N ARG A 18 -5.385 -29.169 -11.740 1.00 42.20 N ATOM 266 CA ARG A 18 -5.775 -29.089 -13.142 1.00 60.25 C ATOM 267 C ARG A 18 -5.198 -27.838 -13.797 1.00 42.51 C ATOM 268 O ARG A 18 -4.983 -27.802 -15.008 1.00 74.22 O ATOM 269 CB ARG A 18 -7.299 -29.088 -13.271 1.00 14.14 C ATOM 270 CG ARG A 18 -7.938 -30.432 -12.962 1.00 64.54 C ATOM 271 CD ARG A 18 -9.294 -30.572 -13.635 1.00 34.22 C ATOM 272 NE ARG A 18 -9.649 -31.970 -13.866 1.00 51.14 N ATOM 273 CZ ARG A 18 -9.031 -32.749 -14.747 1.00 4.21 C ATOM 274 NH1 ARG A 18 -8.032 -32.269 -15.475 1.00 25.14 N ATOM 275 NH2 ARG A 18 -9.411 -34.011 -14.900 1.00 51.35 N ATOM 0 H ARG A 18 -6.053 -28.752 -11.092 1.00 42.20 H new ATOM 0 HA ARG A 18 -5.374 -29.964 -13.654 1.00 60.25 H new ATOM 0 HB2 ARG A 18 -7.711 -28.336 -12.598 1.00 14.14 H new ATOM 0 HB3 ARG A 18 -7.569 -28.791 -14.285 1.00 14.14 H new ATOM 0 HG2 ARG A 18 -7.280 -31.234 -13.296 1.00 64.54 H new ATOM 0 HG3 ARG A 18 -8.053 -30.542 -11.884 1.00 64.54 H new ATOM 0 HD2 ARG A 18 -10.057 -30.102 -13.014 1.00 34.22 H new ATOM 0 HD3 ARG A 18 -9.284 -30.039 -14.586 1.00 34.22 H new ATOM 0 HE ARG A 18 -10.413 -32.370 -13.321 1.00 51.14 H new ATOM 0 HH11 ARG A 18 -7.736 -31.300 -15.359 1.00 25.14 H new ATOM 0 HH12 ARG A 18 -7.559 -32.869 -16.151 1.00 25.14 H new ATOM 0 HH21 ARG A 18 -10.178 -34.384 -14.341 1.00 51.35 H new ATOM 0 HH22 ARG A 18 -8.936 -34.608 -15.577 1.00 51.35 H new ATOM 289 N GLU A 19 -4.949 -26.813 -12.987 1.00 74.11 N ATOM 290 CA GLU A 19 -4.399 -25.560 -13.489 1.00 4.43 C ATOM 291 C GLU A 19 -3.837 -24.717 -12.347 1.00 40.32 C ATOM 292 O GLU A 19 -4.248 -24.860 -11.195 1.00 72.14 O ATOM 293 CB GLU A 19 -5.472 -24.770 -14.240 1.00 40.43 C ATOM 294 CG GLU A 19 -4.938 -24.009 -15.442 1.00 40.23 C ATOM 295 CD GLU A 19 -6.043 -23.474 -16.332 1.00 51.31 C ATOM 296 OE1 GLU A 19 -7.109 -23.103 -15.796 1.00 24.31 O ATOM 297 OE2 GLU A 19 -5.843 -23.426 -17.564 1.00 11.34 O ATOM 0 H GLU A 19 -5.119 -26.826 -11.981 1.00 74.11 H new ATOM 0 HA GLU A 19 -3.587 -25.799 -14.176 1.00 4.43 H new ATOM 0 HB2 GLU A 19 -6.251 -25.456 -14.572 1.00 40.43 H new ATOM 0 HB3 GLU A 19 -5.940 -24.065 -13.553 1.00 40.43 H new ATOM 0 HG2 GLU A 19 -4.321 -23.179 -15.097 1.00 40.23 H new ATOM 0 HG3 GLU A 19 -4.293 -24.666 -16.025 1.00 40.23 H new ATOM 304 N ILE A 20 -2.895 -23.839 -12.676 1.00 13.22 N ATOM 305 CA ILE A 20 -2.278 -22.973 -11.679 1.00 43.21 C ATOM 306 C ILE A 20 -2.088 -21.560 -12.220 1.00 54.22 C ATOM 307 O ILE A 20 -1.845 -21.368 -13.412 1.00 4.14 O ATOM 308 CB ILE A 20 -0.913 -23.523 -11.223 1.00 54.03 C ATOM 309 CG1 ILE A 20 -1.055 -24.972 -10.753 1.00 23.03 C ATOM 310 CG2 ILE A 20 -0.335 -22.655 -10.116 1.00 15.33 C ATOM 311 CD1 ILE A 20 0.269 -25.651 -10.481 1.00 45.01 C ATOM 0 H ILE A 20 -2.543 -23.709 -13.624 1.00 13.22 H new ATOM 0 HA ILE A 20 -2.954 -22.945 -10.824 1.00 43.21 H new ATOM 0 HB ILE A 20 -0.227 -23.501 -12.070 1.00 54.03 H new ATOM 0 HG12 ILE A 20 -1.659 -24.994 -9.846 1.00 23.03 H new ATOM 0 HG13 ILE A 20 -1.597 -25.540 -11.510 1.00 23.03 H new ATOM 0 HG21 ILE A 20 0.629 -23.057 -9.805 1.00 15.33 H new ATOM 0 HG22 ILE A 20 -0.203 -21.637 -10.483 1.00 15.33 H new ATOM 0 HG23 ILE A 20 -1.017 -22.648 -9.266 1.00 15.33 H new ATOM 0 HD11 ILE A 20 0.092 -26.675 -10.152 1.00 45.01 H new ATOM 0 HD12 ILE A 20 0.867 -25.661 -11.392 1.00 45.01 H new ATOM 0 HD13 ILE A 20 0.804 -25.107 -9.703 1.00 45.01 H new ATOM 323 N ARG A 21 -2.201 -20.574 -11.336 1.00 44.34 N ATOM 324 CA ARG A 21 -2.041 -19.178 -11.725 1.00 11.40 C ATOM 325 C ARG A 21 -1.841 -18.291 -10.499 1.00 65.50 C ATOM 326 O ARG A 21 -2.278 -18.629 -9.399 1.00 12.31 O ATOM 327 CB ARG A 21 -3.262 -18.704 -12.516 1.00 2.41 C ATOM 328 CG ARG A 21 -2.999 -17.466 -13.358 1.00 42.02 C ATOM 329 CD ARG A 21 -2.034 -17.761 -14.496 1.00 25.14 C ATOM 330 NE ARG A 21 -2.498 -18.861 -15.336 1.00 73.13 N ATOM 331 CZ ARG A 21 -3.449 -18.733 -16.255 1.00 34.13 C ATOM 332 NH1 ARG A 21 -4.033 -17.559 -16.450 1.00 14.21 N ATOM 333 NH2 ARG A 21 -3.818 -19.781 -16.981 1.00 2.14 N ATOM 0 H ARG A 21 -2.403 -20.716 -10.346 1.00 44.34 H new ATOM 0 HA ARG A 21 -1.155 -19.102 -12.356 1.00 11.40 H new ATOM 0 HB2 ARG A 21 -3.598 -19.511 -13.167 1.00 2.41 H new ATOM 0 HB3 ARG A 21 -4.075 -18.495 -11.821 1.00 2.41 H new ATOM 0 HG2 ARG A 21 -3.940 -17.094 -13.764 1.00 42.02 H new ATOM 0 HG3 ARG A 21 -2.590 -16.676 -12.728 1.00 42.02 H new ATOM 0 HD2 ARG A 21 -1.909 -16.867 -15.106 1.00 25.14 H new ATOM 0 HD3 ARG A 21 -1.054 -18.006 -14.086 1.00 25.14 H new ATOM 0 HE ARG A 21 -2.069 -19.778 -15.211 1.00 73.13 H new ATOM 0 HH11 ARG A 21 -3.753 -16.751 -15.894 1.00 14.21 H new ATOM 0 HH12 ARG A 21 -4.763 -17.463 -17.156 1.00 14.21 H new ATOM 0 HH21 ARG A 21 -3.371 -20.686 -16.834 1.00 2.14 H new ATOM 0 HH22 ARG A 21 -4.548 -19.681 -17.686 1.00 2.14 H new ATOM 347 N ARG A 22 -1.176 -17.158 -10.697 1.00 42.11 N ATOM 348 CA ARG A 22 -0.916 -16.224 -9.608 1.00 24.42 C ATOM 349 C ARG A 22 -0.956 -14.783 -10.106 1.00 14.31 C ATOM 350 O ARG A 22 -0.777 -14.520 -11.295 1.00 65.43 O ATOM 351 CB ARG A 22 0.444 -16.517 -8.971 1.00 2.11 C ATOM 352 CG ARG A 22 1.580 -16.613 -9.977 1.00 13.04 C ATOM 353 CD ARG A 22 2.837 -17.190 -9.344 1.00 74.13 C ATOM 354 NE ARG A 22 3.899 -17.394 -10.326 1.00 33.34 N ATOM 355 CZ ARG A 22 3.861 -18.333 -11.264 1.00 64.52 C ATOM 356 NH1 ARG A 22 2.820 -19.150 -11.349 1.00 22.03 N ATOM 357 NH2 ARG A 22 4.867 -18.457 -12.121 1.00 52.03 N ATOM 0 H ARG A 22 -0.807 -16.864 -11.602 1.00 42.11 H new ATOM 0 HA ARG A 22 -1.697 -16.353 -8.858 1.00 24.42 H new ATOM 0 HB2 ARG A 22 0.674 -15.733 -8.249 1.00 2.11 H new ATOM 0 HB3 ARG A 22 0.382 -17.453 -8.416 1.00 2.11 H new ATOM 0 HG2 ARG A 22 1.273 -17.239 -10.815 1.00 13.04 H new ATOM 0 HG3 ARG A 22 1.795 -15.623 -10.380 1.00 13.04 H new ATOM 0 HD2 ARG A 22 3.190 -16.518 -8.562 1.00 74.13 H new ATOM 0 HD3 ARG A 22 2.599 -18.140 -8.865 1.00 74.13 H new ATOM 0 HE ARG A 22 4.714 -16.782 -10.289 1.00 33.34 H new ATOM 0 HH11 ARG A 22 2.045 -19.058 -10.692 1.00 22.03 H new ATOM 0 HH12 ARG A 22 2.794 -19.870 -12.071 1.00 22.03 H new ATOM 0 HH21 ARG A 22 5.670 -17.831 -12.059 1.00 52.03 H new ATOM 0 HH22 ARG A 22 4.837 -19.179 -12.841 1.00 52.03 H new ATOM 371 N PHE A 23 -1.195 -13.852 -9.188 1.00 43.41 N ATOM 372 CA PHE A 23 -1.261 -12.436 -9.534 1.00 22.51 C ATOM 373 C PHE A 23 -0.835 -11.568 -8.354 1.00 12.22 C ATOM 374 O PHE A 23 -1.008 -11.947 -7.196 1.00 34.04 O ATOM 375 CB PHE A 23 -2.678 -12.062 -9.972 1.00 33.40 C ATOM 376 CG PHE A 23 -3.710 -12.262 -8.898 1.00 43.54 C ATOM 377 CD1 PHE A 23 -3.911 -11.296 -7.925 1.00 70.21 C ATOM 378 CD2 PHE A 23 -4.478 -13.414 -8.862 1.00 65.42 C ATOM 379 CE1 PHE A 23 -4.860 -11.476 -6.936 1.00 24.01 C ATOM 380 CE2 PHE A 23 -5.428 -13.600 -7.876 1.00 3.51 C ATOM 381 CZ PHE A 23 -5.618 -12.630 -6.911 1.00 12.21 C ATOM 0 H PHE A 23 -1.346 -14.052 -8.199 1.00 43.41 H new ATOM 0 HA PHE A 23 -0.574 -12.257 -10.361 1.00 22.51 H new ATOM 0 HB2 PHE A 23 -2.689 -11.018 -10.286 1.00 33.40 H new ATOM 0 HB3 PHE A 23 -2.950 -12.659 -10.842 1.00 33.40 H new ATOM 0 HD1 PHE A 23 -3.320 -10.392 -7.939 1.00 70.21 H new ATOM 0 HD2 PHE A 23 -4.333 -14.176 -9.613 1.00 65.42 H new ATOM 0 HE1 PHE A 23 -5.008 -10.715 -6.184 1.00 24.01 H new ATOM 0 HE2 PHE A 23 -6.021 -14.502 -7.860 1.00 3.51 H new ATOM 0 HZ PHE A 23 -6.358 -12.774 -6.138 1.00 12.21 H new ATOM 391 N SER A 24 -0.277 -10.400 -8.657 1.00 63.42 N ATOM 392 CA SER A 24 0.178 -9.479 -7.623 1.00 3.13 C ATOM 393 C SER A 24 -1.006 -8.815 -6.927 1.00 74.31 C ATOM 394 O SER A 24 -1.797 -8.112 -7.557 1.00 5.21 O ATOM 395 CB SER A 24 1.093 -8.411 -8.227 1.00 34.50 C ATOM 396 OG SER A 24 0.398 -7.626 -9.180 1.00 45.52 O ATOM 0 H SER A 24 -0.129 -10.070 -9.611 1.00 63.42 H new ATOM 0 HA SER A 24 0.738 -10.051 -6.883 1.00 3.13 H new ATOM 0 HB2 SER A 24 1.481 -7.770 -7.436 1.00 34.50 H new ATOM 0 HB3 SER A 24 1.951 -8.888 -8.700 1.00 34.50 H new ATOM 0 HG SER A 24 -0.525 -7.489 -8.881 1.00 45.52 H new ATOM 402 N PHE A 25 -1.123 -9.045 -5.623 1.00 52.33 N ATOM 403 CA PHE A 25 -2.212 -8.471 -4.841 1.00 4.24 C ATOM 404 C PHE A 25 -1.722 -7.281 -4.020 1.00 34.25 C ATOM 405 O PHE A 25 -0.608 -7.291 -3.496 1.00 21.35 O ATOM 406 CB PHE A 25 -2.816 -9.529 -3.916 1.00 32.23 C ATOM 407 CG PHE A 25 -4.051 -9.064 -3.198 1.00 41.53 C ATOM 408 CD1 PHE A 25 -5.252 -8.930 -3.875 1.00 54.42 C ATOM 409 CD2 PHE A 25 -4.010 -8.760 -1.847 1.00 31.20 C ATOM 410 CE1 PHE A 25 -6.390 -8.501 -3.217 1.00 43.55 C ATOM 411 CE2 PHE A 25 -5.144 -8.331 -1.184 1.00 34.12 C ATOM 412 CZ PHE A 25 -6.336 -8.202 -1.870 1.00 20.11 C ATOM 0 H PHE A 25 -0.478 -9.624 -5.086 1.00 52.33 H new ATOM 0 HA PHE A 25 -2.979 -8.122 -5.532 1.00 4.24 H new ATOM 0 HB2 PHE A 25 -3.058 -10.416 -4.501 1.00 32.23 H new ATOM 0 HB3 PHE A 25 -2.068 -9.827 -3.181 1.00 32.23 H new ATOM 0 HD1 PHE A 25 -5.300 -9.163 -4.928 1.00 54.42 H new ATOM 0 HD2 PHE A 25 -3.081 -8.859 -1.306 1.00 31.20 H new ATOM 0 HE1 PHE A 25 -7.320 -8.400 -3.756 1.00 43.55 H new ATOM 0 HE2 PHE A 25 -5.098 -8.097 -0.131 1.00 34.12 H new ATOM 0 HZ PHE A 25 -7.224 -7.868 -1.354 1.00 20.11 H new ATOM 598 N GLY A 40 -13.303 -7.531 1.482 1.00 43.53 N ATOM 599 CA GLY A 40 -12.185 -6.868 0.836 1.00 4.12 C ATOM 600 C GLY A 40 -11.328 -7.826 0.032 1.00 34.12 C ATOM 601 O GLY A 40 -11.416 -7.891 -1.194 1.00 74.41 O ATOM 0 HA2 GLY A 40 -12.562 -6.084 0.179 1.00 4.12 H new ATOM 0 HA3 GLY A 40 -11.569 -6.382 1.592 1.00 4.12 H new ATOM 605 N PRO A 41 -10.475 -8.591 0.729 1.00 32.03 N ATOM 606 CA PRO A 41 -9.582 -9.563 0.092 1.00 31.34 C ATOM 607 C PRO A 41 -10.339 -10.757 -0.480 1.00 25.32 C ATOM 608 O PRO A 41 -9.914 -11.358 -1.468 1.00 2.42 O ATOM 609 CB PRO A 41 -8.668 -10.008 1.237 1.00 41.02 C ATOM 610 CG PRO A 41 -9.467 -9.774 2.472 1.00 24.24 C ATOM 611 CD PRO A 41 -10.317 -8.566 2.193 1.00 12.01 C ATOM 0 HA PRO A 41 -9.048 -9.132 -0.755 1.00 31.34 H new ATOM 0 HB2 PRO A 41 -8.391 -11.058 1.138 1.00 41.02 H new ATOM 0 HB3 PRO A 41 -7.742 -9.434 1.250 1.00 41.02 H new ATOM 0 HG2 PRO A 41 -10.085 -10.640 2.707 1.00 24.24 H new ATOM 0 HG3 PRO A 41 -8.817 -9.604 3.331 1.00 24.24 H new ATOM 0 HD2 PRO A 41 -11.279 -8.625 2.702 1.00 12.01 H new ATOM 0 HD3 PRO A 41 -9.834 -7.648 2.530 1.00 12.01 H new ATOM 619 N CYS A 42 -11.460 -11.096 0.146 1.00 30.21 N ATOM 620 CA CYS A 42 -12.276 -12.220 -0.301 1.00 42.43 C ATOM 621 C CYS A 42 -12.956 -11.903 -1.629 1.00 65.04 C ATOM 622 O CYS A 42 -12.804 -12.638 -2.605 1.00 15.41 O ATOM 623 CB CYS A 42 -13.327 -12.565 0.754 1.00 34.20 C ATOM 624 SG CYS A 42 -14.508 -13.831 0.233 1.00 71.44 S ATOM 0 H CYS A 42 -11.825 -10.609 0.965 1.00 30.21 H new ATOM 0 HA CYS A 42 -11.621 -13.079 -0.445 1.00 42.43 H new ATOM 0 HB2 CYS A 42 -12.821 -12.905 1.658 1.00 34.20 H new ATOM 0 HB3 CYS A 42 -13.874 -11.659 1.016 1.00 34.20 H new ATOM 0 HG CYS A 42 -15.697 -13.514 0.652 1.00 71.44 H new ATOM 630 N GLU A 43 -13.705 -10.806 -1.658 1.00 15.31 N ATOM 631 CA GLU A 43 -14.410 -10.394 -2.866 1.00 74.21 C ATOM 632 C GLU A 43 -13.426 -10.050 -3.980 1.00 63.21 C ATOM 633 O GLU A 43 -13.754 -10.140 -5.163 1.00 73.41 O ATOM 634 CB GLU A 43 -15.308 -9.190 -2.574 1.00 73.04 C ATOM 635 CG GLU A 43 -15.911 -8.564 -3.821 1.00 4.32 C ATOM 636 CD GLU A 43 -16.918 -7.477 -3.499 1.00 43.31 C ATOM 637 OE1 GLU A 43 -17.753 -7.691 -2.596 1.00 32.51 O ATOM 638 OE2 GLU A 43 -16.871 -6.412 -4.150 1.00 21.20 O ATOM 0 H GLU A 43 -13.839 -10.186 -0.859 1.00 15.31 H new ATOM 0 HA GLU A 43 -15.029 -11.228 -3.196 1.00 74.21 H new ATOM 0 HB2 GLU A 43 -16.113 -9.501 -1.908 1.00 73.04 H new ATOM 0 HB3 GLU A 43 -14.728 -8.435 -2.043 1.00 73.04 H new ATOM 0 HG2 GLU A 43 -15.114 -8.145 -4.435 1.00 4.32 H new ATOM 0 HG3 GLU A 43 -16.396 -9.339 -4.414 1.00 4.32 H new ATOM 645 N ARG A 44 -12.217 -9.655 -3.593 1.00 34.25 N ATOM 646 CA ARG A 44 -11.185 -9.296 -4.557 1.00 52.23 C ATOM 647 C ARG A 44 -10.495 -10.542 -5.105 1.00 13.11 C ATOM 648 O ARG A 44 -10.324 -10.688 -6.316 1.00 21.22 O ATOM 649 CB ARG A 44 -10.153 -8.371 -3.911 1.00 4.34 C ATOM 650 CG ARG A 44 -10.528 -6.899 -3.976 1.00 64.20 C ATOM 651 CD ARG A 44 -9.294 -6.011 -4.013 1.00 61.02 C ATOM 652 NE ARG A 44 -9.497 -4.827 -4.843 1.00 41.34 N ATOM 653 CZ ARG A 44 -9.626 -4.869 -6.165 1.00 14.13 C ATOM 654 NH1 ARG A 44 -9.575 -6.030 -6.802 1.00 63.15 N ATOM 655 NH2 ARG A 44 -9.809 -3.748 -6.851 1.00 5.22 N ATOM 0 H ARG A 44 -11.929 -9.576 -2.618 1.00 34.25 H new ATOM 0 HA ARG A 44 -11.663 -8.773 -5.385 1.00 52.23 H new ATOM 0 HB2 ARG A 44 -10.023 -8.658 -2.868 1.00 4.34 H new ATOM 0 HB3 ARG A 44 -9.191 -8.514 -4.403 1.00 4.34 H new ATOM 0 HG2 ARG A 44 -11.136 -6.716 -4.862 1.00 64.20 H new ATOM 0 HG3 ARG A 44 -11.139 -6.639 -3.111 1.00 64.20 H new ATOM 0 HD2 ARG A 44 -9.038 -5.703 -2.999 1.00 61.02 H new ATOM 0 HD3 ARG A 44 -8.448 -6.582 -4.396 1.00 61.02 H new ATOM 0 HE ARG A 44 -9.542 -3.918 -4.383 1.00 41.34 H new ATOM 0 HH11 ARG A 44 -9.437 -6.894 -6.278 1.00 63.15 H new ATOM 0 HH12 ARG A 44 -9.674 -6.060 -7.817 1.00 63.15 H new ATOM 0 HH21 ARG A 44 -9.851 -2.853 -6.364 1.00 5.22 H new ATOM 0 HH22 ARG A 44 -9.908 -3.781 -7.866 1.00 5.22 H new ATOM 669 N LEU A 45 -10.101 -11.437 -4.206 1.00 0.33 N ATOM 670 CA LEU A 45 -9.429 -12.671 -4.598 1.00 40.41 C ATOM 671 C LEU A 45 -10.362 -13.564 -5.409 1.00 64.43 C ATOM 672 O LEU A 45 -10.013 -14.014 -6.502 1.00 31.54 O ATOM 673 CB LEU A 45 -8.934 -13.421 -3.360 1.00 50.23 C ATOM 674 CG LEU A 45 -8.603 -14.900 -3.560 1.00 33.33 C ATOM 675 CD1 LEU A 45 -7.565 -15.072 -4.657 1.00 43.13 C ATOM 676 CD2 LEU A 45 -8.113 -15.517 -2.258 1.00 31.41 C ATOM 0 H LEU A 45 -10.235 -11.331 -3.200 1.00 0.33 H new ATOM 0 HA LEU A 45 -8.574 -12.409 -5.221 1.00 40.41 H new ATOM 0 HB2 LEU A 45 -8.043 -12.917 -2.987 1.00 50.23 H new ATOM 0 HB3 LEU A 45 -9.694 -13.341 -2.583 1.00 50.23 H new ATOM 0 HG LEU A 45 -9.512 -15.418 -3.865 1.00 33.33 H new ATOM 0 HD11 LEU A 45 -7.343 -16.131 -4.785 1.00 43.13 H new ATOM 0 HD12 LEU A 45 -7.953 -14.668 -5.592 1.00 43.13 H new ATOM 0 HD13 LEU A 45 -6.654 -14.540 -4.382 1.00 43.13 H new ATOM 0 HD21 LEU A 45 -7.882 -16.570 -2.419 1.00 31.41 H new ATOM 0 HD22 LEU A 45 -7.216 -14.996 -1.923 1.00 31.41 H new ATOM 0 HD23 LEU A 45 -8.889 -15.428 -1.498 1.00 31.41 H new ATOM 688 N LEU A 46 -11.549 -13.816 -4.869 1.00 60.03 N ATOM 689 CA LEU A 46 -12.534 -14.654 -5.544 1.00 30.41 C ATOM 690 C LEU A 46 -12.873 -14.095 -6.922 1.00 10.12 C ATOM 691 O LEU A 46 -13.333 -14.822 -7.802 1.00 33.00 O ATOM 692 CB LEU A 46 -13.804 -14.764 -4.699 1.00 13.44 C ATOM 693 CG LEU A 46 -13.660 -15.491 -3.361 1.00 72.25 C ATOM 694 CD1 LEU A 46 -15.010 -15.611 -2.671 1.00 22.30 C ATOM 695 CD2 LEU A 46 -13.040 -16.866 -3.566 1.00 43.53 C ATOM 0 H LEU A 46 -11.853 -13.452 -3.966 1.00 60.03 H new ATOM 0 HA LEU A 46 -12.103 -15.647 -5.672 1.00 30.41 H new ATOM 0 HB2 LEU A 46 -14.175 -13.758 -4.505 1.00 13.44 H new ATOM 0 HB3 LEU A 46 -14.565 -15.276 -5.288 1.00 13.44 H new ATOM 0 HG LEU A 46 -12.998 -14.907 -2.721 1.00 72.25 H new ATOM 0 HD11 LEU A 46 -14.888 -16.131 -1.721 1.00 22.30 H new ATOM 0 HD12 LEU A 46 -15.416 -14.616 -2.491 1.00 22.30 H new ATOM 0 HD13 LEU A 46 -15.695 -16.173 -3.306 1.00 22.30 H new ATOM 0 HD21 LEU A 46 -12.945 -17.369 -2.604 1.00 43.53 H new ATOM 0 HD22 LEU A 46 -13.677 -17.458 -4.224 1.00 43.53 H new ATOM 0 HD23 LEU A 46 -12.054 -16.757 -4.017 1.00 43.53 H new ATOM 707 N SER A 47 -12.640 -12.799 -7.102 1.00 53.32 N ATOM 708 CA SER A 47 -12.922 -12.141 -8.373 1.00 14.03 C ATOM 709 C SER A 47 -11.919 -12.567 -9.440 1.00 22.32 C ATOM 710 O SER A 47 -12.299 -12.984 -10.534 1.00 51.42 O ATOM 711 CB SER A 47 -12.889 -10.621 -8.203 1.00 5.12 C ATOM 712 OG SER A 47 -14.199 -10.086 -8.139 1.00 11.41 O ATOM 0 H SER A 47 -12.257 -12.184 -6.384 1.00 53.32 H new ATOM 0 HA SER A 47 -13.919 -12.442 -8.696 1.00 14.03 H new ATOM 0 HB2 SER A 47 -12.344 -10.365 -7.294 1.00 5.12 H new ATOM 0 HB3 SER A 47 -12.349 -10.171 -9.036 1.00 5.12 H new ATOM 0 HG SER A 47 -14.456 -9.961 -7.202 1.00 11.41 H new ATOM 718 N ARG A 48 -10.635 -12.460 -9.112 1.00 72.14 N ATOM 719 CA ARG A 48 -9.576 -12.833 -10.042 1.00 41.11 C ATOM 720 C ARG A 48 -9.599 -14.333 -10.320 1.00 33.12 C ATOM 721 O ARG A 48 -9.566 -14.762 -11.473 1.00 73.31 O ATOM 722 CB ARG A 48 -8.211 -12.428 -9.482 1.00 60.31 C ATOM 723 CG ARG A 48 -8.194 -11.040 -8.863 1.00 21.43 C ATOM 724 CD ARG A 48 -8.781 -10.002 -9.806 1.00 31.11 C ATOM 725 NE ARG A 48 -8.091 -8.719 -9.705 1.00 53.22 N ATOM 726 CZ ARG A 48 -8.280 -7.714 -10.554 1.00 31.42 C ATOM 727 NH1 ARG A 48 -9.133 -7.844 -11.560 1.00 73.14 N ATOM 728 NH2 ARG A 48 -7.615 -6.577 -10.396 1.00 71.10 N ATOM 0 H ARG A 48 -10.304 -12.118 -8.210 1.00 72.14 H new ATOM 0 HA ARG A 48 -9.748 -12.305 -10.980 1.00 41.11 H new ATOM 0 HB2 ARG A 48 -7.906 -13.156 -8.730 1.00 60.31 H new ATOM 0 HB3 ARG A 48 -7.473 -12.468 -10.283 1.00 60.31 H new ATOM 0 HG2 ARG A 48 -8.761 -11.049 -7.932 1.00 21.43 H new ATOM 0 HG3 ARG A 48 -7.170 -10.766 -8.610 1.00 21.43 H new ATOM 0 HD2 ARG A 48 -8.719 -10.367 -10.831 1.00 31.11 H new ATOM 0 HD3 ARG A 48 -9.838 -9.864 -9.580 1.00 31.11 H new ATOM 0 HE ARG A 48 -7.428 -8.587 -8.941 1.00 53.22 H new ATOM 0 HH11 ARG A 48 -9.646 -8.717 -11.684 1.00 73.14 H new ATOM 0 HH12 ARG A 48 -9.276 -7.071 -12.210 1.00 73.14 H new ATOM 0 HH21 ARG A 48 -6.958 -6.474 -9.623 1.00 71.10 H new ATOM 0 HH22 ARG A 48 -7.761 -5.806 -11.048 1.00 71.10 H new ATOM 742 N VAL A 49 -9.656 -15.126 -9.254 1.00 61.14 N ATOM 743 CA VAL A 49 -9.684 -16.578 -9.383 1.00 33.21 C ATOM 744 C VAL A 49 -10.744 -17.021 -10.386 1.00 11.44 C ATOM 745 O VAL A 49 -10.580 -18.027 -11.074 1.00 70.30 O ATOM 746 CB VAL A 49 -9.961 -17.256 -8.028 1.00 25.32 C ATOM 747 CG1 VAL A 49 -9.948 -18.770 -8.176 1.00 23.14 C ATOM 748 CG2 VAL A 49 -8.944 -16.805 -6.990 1.00 32.12 C ATOM 0 H VAL A 49 -9.684 -14.787 -8.292 1.00 61.14 H new ATOM 0 HA VAL A 49 -8.700 -16.883 -9.740 1.00 33.21 H new ATOM 0 HB VAL A 49 -10.952 -16.957 -7.687 1.00 25.32 H new ATOM 0 HG11 VAL A 49 -10.145 -19.232 -7.209 1.00 23.14 H new ATOM 0 HG12 VAL A 49 -10.717 -19.073 -8.886 1.00 23.14 H new ATOM 0 HG13 VAL A 49 -8.972 -19.092 -8.539 1.00 23.14 H new ATOM 0 HG21 VAL A 49 -9.154 -17.293 -6.039 1.00 32.12 H new ATOM 0 HG22 VAL A 49 -7.941 -17.074 -7.322 1.00 32.12 H new ATOM 0 HG23 VAL A 49 -9.007 -15.724 -6.865 1.00 32.12 H new ATOM 758 N ALA A 50 -11.832 -16.261 -10.463 1.00 3.34 N ATOM 759 CA ALA A 50 -12.918 -16.573 -11.383 1.00 40.31 C ATOM 760 C ALA A 50 -12.487 -16.367 -12.831 1.00 64.12 C ATOM 761 O ALA A 50 -12.640 -17.257 -13.668 1.00 22.34 O ATOM 762 CB ALA A 50 -14.138 -15.720 -11.068 1.00 32.32 C ATOM 0 H ALA A 50 -11.984 -15.425 -9.899 1.00 3.34 H new ATOM 0 HA ALA A 50 -13.179 -17.623 -11.255 1.00 40.31 H new ATOM 0 HB1 ALA A 50 -14.942 -15.964 -11.763 1.00 32.32 H new ATOM 0 HB2 ALA A 50 -14.468 -15.919 -10.048 1.00 32.32 H new ATOM 0 HB3 ALA A 50 -13.880 -14.666 -11.167 1.00 32.32 H new ATOM 768 N VAL A 51 -11.947 -15.187 -13.121 1.00 62.43 N ATOM 769 CA VAL A 51 -11.493 -14.865 -14.469 1.00 22.02 C ATOM 770 C VAL A 51 -10.234 -15.647 -14.826 1.00 43.22 C ATOM 771 O VAL A 51 -9.915 -15.829 -16.002 1.00 54.31 O ATOM 772 CB VAL A 51 -11.209 -13.359 -14.620 1.00 42.20 C ATOM 773 CG1 VAL A 51 -10.236 -12.889 -13.550 1.00 4.42 C ATOM 774 CG2 VAL A 51 -10.672 -13.055 -16.011 1.00 32.23 C ATOM 0 H VAL A 51 -11.813 -14.439 -12.441 1.00 62.43 H new ATOM 0 HA VAL A 51 -12.297 -15.146 -15.150 1.00 22.02 H new ATOM 0 HB VAL A 51 -12.145 -12.816 -14.490 1.00 42.20 H new ATOM 0 HG11 VAL A 51 -10.047 -11.822 -13.673 1.00 4.42 H new ATOM 0 HG12 VAL A 51 -10.664 -13.071 -12.564 1.00 4.42 H new ATOM 0 HG13 VAL A 51 -9.298 -13.437 -13.645 1.00 4.42 H new ATOM 0 HG21 VAL A 51 -10.477 -11.986 -16.100 1.00 32.23 H new ATOM 0 HG22 VAL A 51 -9.746 -13.608 -16.172 1.00 32.23 H new ATOM 0 HG23 VAL A 51 -11.408 -13.353 -16.758 1.00 32.23 H new ATOM 784 N LEU A 52 -9.521 -16.108 -13.805 1.00 4.13 N ATOM 785 CA LEU A 52 -8.295 -16.872 -14.010 1.00 41.13 C ATOM 786 C LEU A 52 -8.602 -18.355 -14.194 1.00 2.31 C ATOM 787 O LEU A 52 -7.908 -19.057 -14.930 1.00 3.33 O ATOM 788 CB LEU A 52 -7.346 -16.679 -12.827 1.00 5.34 C ATOM 789 CG LEU A 52 -6.819 -15.259 -12.613 1.00 52.01 C ATOM 790 CD1 LEU A 52 -6.171 -15.130 -11.243 1.00 70.34 C ATOM 791 CD2 LEU A 52 -5.832 -14.886 -13.710 1.00 12.45 C ATOM 0 H LEU A 52 -9.770 -15.966 -12.826 1.00 4.13 H new ATOM 0 HA LEU A 52 -7.814 -16.504 -14.916 1.00 41.13 H new ATOM 0 HB2 LEU A 52 -7.860 -16.995 -11.919 1.00 5.34 H new ATOM 0 HB3 LEU A 52 -6.494 -17.345 -12.959 1.00 5.34 H new ATOM 0 HG LEU A 52 -7.661 -14.569 -12.659 1.00 52.01 H new ATOM 0 HD11 LEU A 52 -5.802 -14.113 -11.109 1.00 70.34 H new ATOM 0 HD12 LEU A 52 -6.906 -15.354 -10.470 1.00 70.34 H new ATOM 0 HD13 LEU A 52 -5.339 -15.830 -11.166 1.00 70.34 H new ATOM 0 HD21 LEU A 52 -5.467 -13.873 -13.542 1.00 12.45 H new ATOM 0 HD22 LEU A 52 -4.992 -15.581 -13.696 1.00 12.45 H new ATOM 0 HD23 LEU A 52 -6.329 -14.937 -14.679 1.00 12.45 H new ATOM 803 N PHE A 53 -9.647 -18.825 -13.522 1.00 14.12 N ATOM 804 CA PHE A 53 -10.048 -20.224 -13.612 1.00 24.34 C ATOM 805 C PHE A 53 -11.440 -20.354 -14.221 1.00 55.41 C ATOM 806 O PHE A 53 -12.409 -20.709 -13.549 1.00 52.52 O ATOM 807 CB PHE A 53 -10.022 -20.874 -12.226 1.00 53.15 C ATOM 808 CG PHE A 53 -8.639 -21.027 -11.661 1.00 71.35 C ATOM 809 CD1 PHE A 53 -7.834 -22.088 -12.044 1.00 20.13 C ATOM 810 CD2 PHE A 53 -8.144 -20.111 -10.748 1.00 12.24 C ATOM 811 CE1 PHE A 53 -6.560 -22.232 -11.526 1.00 75.00 C ATOM 812 CE2 PHE A 53 -6.872 -20.249 -10.227 1.00 25.41 C ATOM 813 CZ PHE A 53 -6.079 -21.312 -10.616 1.00 11.14 C ATOM 0 H PHE A 53 -10.232 -18.257 -12.909 1.00 14.12 H new ATOM 0 HA PHE A 53 -9.339 -20.738 -14.261 1.00 24.34 H new ATOM 0 HB2 PHE A 53 -10.621 -20.274 -11.541 1.00 53.15 H new ATOM 0 HB3 PHE A 53 -10.492 -21.856 -12.285 1.00 53.15 H new ATOM 0 HD1 PHE A 53 -8.206 -22.811 -12.755 1.00 20.13 H new ATOM 0 HD2 PHE A 53 -8.760 -19.279 -10.440 1.00 12.24 H new ATOM 0 HE1 PHE A 53 -5.942 -23.063 -11.833 1.00 75.00 H new ATOM 0 HE2 PHE A 53 -6.498 -19.527 -9.516 1.00 25.41 H new ATOM 0 HZ PHE A 53 -5.085 -21.423 -10.209 1.00 11.14 H new ATOM 823 N PRO A 54 -11.545 -20.058 -15.525 1.00 62.33 N ATOM 824 CA PRO A 54 -12.814 -20.134 -16.255 1.00 0.10 C ATOM 825 C PRO A 54 -13.291 -21.570 -16.442 1.00 23.24 C ATOM 826 O PRO A 54 -14.425 -21.809 -16.856 1.00 3.22 O ATOM 827 CB PRO A 54 -12.483 -19.500 -17.608 1.00 72.15 C ATOM 828 CG PRO A 54 -11.016 -19.700 -17.772 1.00 0.11 C ATOM 829 CD PRO A 54 -10.432 -19.629 -16.388 1.00 43.52 C ATOM 0 HA PRO A 54 -13.622 -19.634 -15.721 1.00 0.10 H new ATOM 0 HB2 PRO A 54 -13.040 -19.976 -18.415 1.00 72.15 H new ATOM 0 HB3 PRO A 54 -12.742 -18.441 -17.623 1.00 72.15 H new ATOM 0 HG2 PRO A 54 -10.803 -20.663 -18.237 1.00 0.11 H new ATOM 0 HG3 PRO A 54 -10.587 -18.933 -18.417 1.00 0.11 H new ATOM 0 HD2 PRO A 54 -9.567 -20.284 -16.283 1.00 43.52 H new ATOM 0 HD3 PRO A 54 -10.100 -18.620 -16.143 1.00 43.52 H new ATOM 837 N ALA A 55 -12.418 -22.523 -16.133 1.00 24.50 N ATOM 838 CA ALA A 55 -12.751 -23.936 -16.265 1.00 21.35 C ATOM 839 C ALA A 55 -14.002 -24.282 -15.463 1.00 65.34 C ATOM 840 O ALA A 55 -14.700 -25.250 -15.770 1.00 4.23 O ATOM 841 CB ALA A 55 -11.580 -24.799 -15.817 1.00 41.32 C ATOM 0 H ALA A 55 -11.475 -22.342 -15.790 1.00 24.50 H new ATOM 0 HA ALA A 55 -12.956 -24.139 -17.316 1.00 21.35 H new ATOM 0 HB1 ALA A 55 -11.843 -25.852 -15.921 1.00 41.32 H new ATOM 0 HB2 ALA A 55 -10.709 -24.580 -16.435 1.00 41.32 H new ATOM 0 HB3 ALA A 55 -11.348 -24.584 -14.774 1.00 41.32 H new ATOM 847 N LEU A 56 -14.279 -23.487 -14.436 1.00 70.02 N ATOM 848 CA LEU A 56 -15.446 -23.710 -13.590 1.00 12.42 C ATOM 849 C LEU A 56 -16.328 -22.466 -13.540 1.00 4.33 C ATOM 850 O LEU A 56 -16.068 -21.480 -14.231 1.00 23.54 O ATOM 851 CB LEU A 56 -15.009 -24.096 -12.176 1.00 31.22 C ATOM 852 CG LEU A 56 -14.029 -23.142 -11.492 1.00 33.12 C ATOM 853 CD1 LEU A 56 -14.730 -22.353 -10.396 1.00 45.14 C ATOM 854 CD2 LEU A 56 -12.845 -23.911 -10.924 1.00 10.30 C ATOM 0 H LEU A 56 -13.712 -22.682 -14.169 1.00 70.02 H new ATOM 0 HA LEU A 56 -16.025 -24.527 -14.020 1.00 12.42 H new ATOM 0 HB2 LEU A 56 -15.899 -24.179 -11.552 1.00 31.22 H new ATOM 0 HB3 LEU A 56 -14.554 -25.086 -12.215 1.00 31.22 H new ATOM 0 HG LEU A 56 -13.656 -22.439 -12.237 1.00 33.12 H new ATOM 0 HD11 LEU A 56 -14.017 -21.679 -9.920 1.00 45.14 H new ATOM 0 HD12 LEU A 56 -15.544 -21.773 -10.830 1.00 45.14 H new ATOM 0 HD13 LEU A 56 -15.131 -23.041 -9.652 1.00 45.14 H new ATOM 0 HD21 LEU A 56 -12.158 -23.216 -10.441 1.00 10.30 H new ATOM 0 HD22 LEU A 56 -13.200 -24.638 -10.193 1.00 10.30 H new ATOM 0 HD23 LEU A 56 -12.328 -24.431 -11.731 1.00 10.30 H new ATOM 866 N ARG A 57 -17.370 -22.518 -12.716 1.00 45.12 N ATOM 867 CA ARG A 57 -18.289 -21.395 -12.575 1.00 63.10 C ATOM 868 C ARG A 57 -17.549 -20.141 -12.117 1.00 32.41 C ATOM 869 O ARG A 57 -16.464 -20.207 -11.539 1.00 60.23 O ATOM 870 CB ARG A 57 -19.398 -21.739 -11.579 1.00 2.41 C ATOM 871 CG ARG A 57 -20.503 -22.599 -12.170 1.00 45.13 C ATOM 872 CD ARG A 57 -21.398 -23.178 -11.086 1.00 54.44 C ATOM 873 NE ARG A 57 -22.495 -23.964 -11.645 1.00 12.22 N ATOM 874 CZ ARG A 57 -23.515 -24.418 -10.925 1.00 11.32 C ATOM 875 NH1 ARG A 57 -23.578 -24.164 -9.625 1.00 21.31 N ATOM 876 NH2 ARG A 57 -24.475 -25.126 -11.505 1.00 72.21 N ATOM 0 H ARG A 57 -17.599 -23.326 -12.136 1.00 45.12 H new ATOM 0 HA ARG A 57 -18.734 -21.197 -13.550 1.00 63.10 H new ATOM 0 HB2 ARG A 57 -18.961 -22.259 -10.727 1.00 2.41 H new ATOM 0 HB3 ARG A 57 -19.833 -20.815 -11.199 1.00 2.41 H new ATOM 0 HG2 ARG A 57 -21.102 -22.002 -12.857 1.00 45.13 H new ATOM 0 HG3 ARG A 57 -20.063 -23.409 -12.752 1.00 45.13 H new ATOM 0 HD2 ARG A 57 -20.804 -23.806 -10.422 1.00 54.44 H new ATOM 0 HD3 ARG A 57 -21.804 -22.368 -10.480 1.00 54.44 H new ATOM 0 HE ARG A 57 -22.477 -24.176 -12.643 1.00 12.22 H new ATOM 0 HH11 ARG A 57 -22.842 -23.619 -9.176 1.00 21.31 H new ATOM 0 HH12 ARG A 57 -24.362 -24.514 -9.074 1.00 21.31 H new ATOM 0 HH21 ARG A 57 -24.431 -25.322 -12.505 1.00 72.21 H new ATOM 0 HH22 ARG A 57 -25.258 -25.474 -10.951 1.00 72.21 H new ATOM 890 N PRO A 58 -18.149 -18.971 -12.380 1.00 41.15 N ATOM 891 CA PRO A 58 -17.565 -17.680 -12.004 1.00 71.00 C ATOM 892 C PRO A 58 -17.575 -17.457 -10.496 1.00 21.25 C ATOM 893 O PRO A 58 -16.561 -17.086 -9.907 1.00 3.34 O ATOM 894 CB PRO A 58 -18.473 -16.663 -12.701 1.00 32.55 C ATOM 895 CG PRO A 58 -19.777 -17.366 -12.858 1.00 73.24 C ATOM 896 CD PRO A 58 -19.443 -18.818 -13.066 1.00 12.42 C ATOM 0 HA PRO A 58 -16.517 -17.606 -12.295 1.00 71.00 H new ATOM 0 HB2 PRO A 58 -18.581 -15.756 -12.106 1.00 32.55 H new ATOM 0 HB3 PRO A 58 -18.065 -16.364 -13.667 1.00 32.55 H new ATOM 0 HG2 PRO A 58 -20.401 -17.232 -11.975 1.00 73.24 H new ATOM 0 HG3 PRO A 58 -20.335 -16.969 -13.706 1.00 73.24 H new ATOM 0 HD2 PRO A 58 -20.204 -19.471 -12.639 1.00 12.42 H new ATOM 0 HD3 PRO A 58 -19.368 -19.066 -14.125 1.00 12.42 H new ATOM 904 N GLY A 59 -18.728 -17.687 -9.875 1.00 73.32 N ATOM 905 CA GLY A 59 -18.848 -17.507 -8.440 1.00 43.42 C ATOM 906 C GLY A 59 -19.352 -18.752 -7.739 1.00 74.10 C ATOM 907 O GLY A 59 -19.799 -18.691 -6.595 1.00 14.45 O ATOM 0 H GLY A 59 -19.582 -17.995 -10.341 1.00 73.32 H new ATOM 0 HA2 GLY A 59 -17.877 -17.231 -8.029 1.00 43.42 H new ATOM 0 HA3 GLY A 59 -19.527 -16.679 -8.236 1.00 43.42 H new ATOM 911 N GLY A 60 -19.283 -19.887 -8.428 1.00 64.03 N ATOM 912 CA GLY A 60 -19.741 -21.136 -7.849 1.00 74.11 C ATOM 913 C GLY A 60 -18.596 -22.021 -7.398 1.00 15.14 C ATOM 914 O GLY A 60 -18.505 -23.182 -7.796 1.00 33.31 O ATOM 0 H GLY A 60 -18.918 -19.964 -9.377 1.00 64.03 H new ATOM 0 HA2 GLY A 60 -20.388 -20.923 -6.998 1.00 74.11 H new ATOM 0 HA3 GLY A 60 -20.344 -21.673 -8.581 1.00 74.11 H new ATOM 918 N PHE A 61 -17.719 -21.471 -6.565 1.00 22.22 N ATOM 919 CA PHE A 61 -16.572 -22.218 -6.061 1.00 11.44 C ATOM 920 C PHE A 61 -16.189 -21.746 -4.661 1.00 21.21 C ATOM 921 O PHE A 61 -16.511 -20.627 -4.263 1.00 22.25 O ATOM 922 CB PHE A 61 -15.380 -22.063 -7.007 1.00 61.02 C ATOM 923 CG PHE A 61 -14.690 -20.734 -6.891 1.00 15.32 C ATOM 924 CD1 PHE A 61 -15.169 -19.628 -7.574 1.00 55.24 C ATOM 925 CD2 PHE A 61 -13.564 -20.590 -6.097 1.00 42.13 C ATOM 926 CE1 PHE A 61 -14.536 -18.404 -7.470 1.00 14.34 C ATOM 927 CE2 PHE A 61 -12.927 -19.368 -5.988 1.00 63.12 C ATOM 928 CZ PHE A 61 -13.414 -18.273 -6.675 1.00 35.45 C ATOM 0 H PHE A 61 -17.780 -20.511 -6.225 1.00 22.22 H new ATOM 0 HA PHE A 61 -16.850 -23.271 -6.008 1.00 11.44 H new ATOM 0 HB2 PHE A 61 -14.660 -22.856 -6.804 1.00 61.02 H new ATOM 0 HB3 PHE A 61 -15.721 -22.198 -8.033 1.00 61.02 H new ATOM 0 HD1 PHE A 61 -16.047 -19.723 -8.195 1.00 55.24 H new ATOM 0 HD2 PHE A 61 -13.179 -21.442 -5.557 1.00 42.13 H new ATOM 0 HE1 PHE A 61 -14.918 -17.550 -8.010 1.00 14.34 H new ATOM 0 HE2 PHE A 61 -12.049 -19.269 -5.366 1.00 63.12 H new ATOM 0 HZ PHE A 61 -12.919 -17.317 -6.591 1.00 35.45 H new ATOM 938 N GLN A 62 -15.500 -22.609 -3.920 1.00 54.23 N ATOM 939 CA GLN A 62 -15.075 -22.281 -2.565 1.00 24.33 C ATOM 940 C GLN A 62 -13.571 -22.480 -2.403 1.00 71.44 C ATOM 941 O GLN A 62 -13.036 -23.538 -2.733 1.00 74.52 O ATOM 942 CB GLN A 62 -15.827 -23.143 -1.549 1.00 40.21 C ATOM 943 CG GLN A 62 -16.918 -22.391 -0.803 1.00 64.12 C ATOM 944 CD GLN A 62 -16.411 -21.116 -0.158 1.00 30.43 C ATOM 945 OE1 GLN A 62 -17.054 -20.069 -0.237 1.00 4.12 O ATOM 946 NE2 GLN A 62 -15.253 -21.199 0.487 1.00 42.55 N ATOM 0 H GLN A 62 -15.225 -23.539 -4.235 1.00 54.23 H new ATOM 0 HA GLN A 62 -15.306 -21.232 -2.383 1.00 24.33 H new ATOM 0 HB2 GLN A 62 -16.271 -23.994 -2.065 1.00 40.21 H new ATOM 0 HB3 GLN A 62 -15.115 -23.544 -0.828 1.00 40.21 H new ATOM 0 HG2 GLN A 62 -17.725 -22.148 -1.495 1.00 64.12 H new ATOM 0 HG3 GLN A 62 -17.341 -23.039 -0.035 1.00 64.12 H new ATOM 0 HE21 GLN A 62 -14.754 -22.088 0.527 1.00 42.55 H new ATOM 0 HE22 GLN A 62 -14.863 -20.374 0.942 1.00 42.55 H new ATOM 955 N ALA A 63 -12.895 -21.456 -1.894 1.00 42.23 N ATOM 956 CA ALA A 63 -11.453 -21.519 -1.688 1.00 33.13 C ATOM 957 C ALA A 63 -11.121 -21.983 -0.274 1.00 12.14 C ATOM 958 O ALA A 63 -11.596 -21.408 0.707 1.00 61.23 O ATOM 959 CB ALA A 63 -10.821 -20.163 -1.963 1.00 2.13 C ATOM 0 H ALA A 63 -13.323 -20.572 -1.617 1.00 42.23 H new ATOM 0 HA ALA A 63 -11.042 -22.247 -2.387 1.00 33.13 H new ATOM 0 HB1 ALA A 63 -9.744 -20.225 -1.805 1.00 2.13 H new ATOM 0 HB2 ALA A 63 -11.021 -19.871 -2.994 1.00 2.13 H new ATOM 0 HB3 ALA A 63 -11.245 -19.420 -1.287 1.00 2.13 H new ATOM 965 N HIS A 64 -10.304 -23.026 -0.175 1.00 24.34 N ATOM 966 CA HIS A 64 -9.908 -23.568 1.121 1.00 51.51 C ATOM 967 C HIS A 64 -8.479 -23.160 1.466 1.00 20.15 C ATOM 968 O HIS A 64 -7.584 -23.222 0.623 1.00 53.51 O ATOM 969 CB HIS A 64 -10.030 -25.092 1.119 1.00 11.43 C ATOM 970 CG HIS A 64 -11.437 -25.580 0.961 1.00 52.32 C ATOM 971 ND1 HIS A 64 -11.825 -26.869 1.259 1.00 64.01 N ATOM 972 CD2 HIS A 64 -12.553 -24.942 0.534 1.00 25.42 C ATOM 973 CE1 HIS A 64 -13.117 -27.004 1.021 1.00 60.33 C ATOM 974 NE2 HIS A 64 -13.583 -25.849 0.580 1.00 24.35 N ATOM 0 H HIS A 64 -9.903 -23.513 -0.976 1.00 24.34 H new ATOM 0 HA HIS A 64 -10.577 -23.159 1.878 1.00 51.51 H new ATOM 0 HB2 HIS A 64 -9.421 -25.496 0.310 1.00 11.43 H new ATOM 0 HB3 HIS A 64 -9.621 -25.482 2.051 1.00 11.43 H new ATOM 0 HD2 HIS A 64 -12.620 -23.912 0.217 1.00 25.42 H new ATOM 0 HE1 HIS A 64 -13.695 -27.905 1.163 1.00 60.33 H new ATOM 0 HE2 HIS A 64 -14.550 -25.662 0.317 1.00 24.35 H new ATOM 982 N TYR A 65 -8.272 -22.744 2.711 1.00 53.22 N ATOM 983 CA TYR A 65 -6.953 -22.323 3.167 1.00 62.12 C ATOM 984 C TYR A 65 -6.454 -23.222 4.294 1.00 62.00 C ATOM 985 O TYR A 65 -7.207 -23.573 5.203 1.00 63.04 O ATOM 986 CB TYR A 65 -6.993 -20.869 3.639 1.00 0.20 C ATOM 987 CG TYR A 65 -7.624 -20.692 5.002 1.00 45.12 C ATOM 988 CD1 TYR A 65 -8.999 -20.550 5.140 1.00 63.10 C ATOM 989 CD2 TYR A 65 -6.844 -20.668 6.152 1.00 43.53 C ATOM 990 CE1 TYR A 65 -9.579 -20.387 6.383 1.00 23.51 C ATOM 991 CE2 TYR A 65 -7.415 -20.507 7.399 1.00 13.21 C ATOM 992 CZ TYR A 65 -8.783 -20.367 7.510 1.00 50.35 C ATOM 993 OH TYR A 65 -9.357 -20.206 8.750 1.00 72.32 O ATOM 0 H TYR A 65 -9.001 -22.690 3.422 1.00 53.22 H new ATOM 0 HA TYR A 65 -6.263 -22.406 2.327 1.00 62.12 H new ATOM 0 HB2 TYR A 65 -5.977 -20.476 3.665 1.00 0.20 H new ATOM 0 HB3 TYR A 65 -7.546 -20.275 2.912 1.00 0.20 H new ATOM 0 HD1 TYR A 65 -9.625 -20.567 4.260 1.00 63.10 H new ATOM 0 HD2 TYR A 65 -5.773 -20.777 6.069 1.00 43.53 H new ATOM 0 HE1 TYR A 65 -10.650 -20.276 6.472 1.00 23.51 H new ATOM 0 HE2 TYR A 65 -6.794 -20.491 8.283 1.00 13.21 H new ATOM 0 HH TYR A 65 -8.659 -20.215 9.437 1.00 72.32 H new ATOM 1003 N ARG A 66 -5.179 -23.590 4.228 1.00 64.33 N ATOM 1004 CA ARG A 66 -4.578 -24.449 5.241 1.00 5.55 C ATOM 1005 C ARG A 66 -4.301 -23.666 6.522 1.00 41.01 C ATOM 1006 O ARG A 66 -3.722 -22.581 6.485 1.00 53.41 O ATOM 1007 CB ARG A 66 -3.279 -25.062 4.716 1.00 63.44 C ATOM 1008 CG ARG A 66 -2.167 -24.047 4.503 1.00 35.34 C ATOM 1009 CD ARG A 66 -1.224 -23.997 5.695 1.00 11.20 C ATOM 1010 NE ARG A 66 -0.616 -22.679 5.856 1.00 13.34 N ATOM 1011 CZ ARG A 66 0.463 -22.453 6.598 1.00 54.35 C ATOM 1012 NH1 ARG A 66 1.050 -23.452 7.242 1.00 53.24 N ATOM 1013 NH2 ARG A 66 0.957 -21.225 6.695 1.00 32.11 N ATOM 0 H ARG A 66 -4.542 -23.307 3.483 1.00 64.33 H new ATOM 0 HA ARG A 66 -5.283 -25.249 5.468 1.00 5.55 H new ATOM 0 HB2 ARG A 66 -2.936 -25.822 5.419 1.00 63.44 H new ATOM 0 HB3 ARG A 66 -3.482 -25.569 3.773 1.00 63.44 H new ATOM 0 HG2 ARG A 66 -1.606 -24.303 3.604 1.00 35.34 H new ATOM 0 HG3 ARG A 66 -2.600 -23.060 4.338 1.00 35.34 H new ATOM 0 HD2 ARG A 66 -1.771 -24.257 6.601 1.00 11.20 H new ATOM 0 HD3 ARG A 66 -0.441 -24.745 5.570 1.00 11.20 H new ATOM 0 HE ARG A 66 -1.043 -21.889 5.373 1.00 13.34 H new ATOM 0 HH11 ARG A 66 0.674 -24.397 7.169 1.00 53.24 H new ATOM 0 HH12 ARG A 66 1.878 -23.276 7.811 1.00 53.24 H new ATOM 0 HH21 ARG A 66 0.508 -20.454 6.200 1.00 32.11 H new ATOM 0 HH22 ARG A 66 1.785 -21.052 7.265 1.00 32.11 H new ATOM 1027 N ALA A 67 -4.719 -24.225 7.653 1.00 51.22 N ATOM 1028 CA ALA A 67 -4.515 -23.581 8.944 1.00 13.53 C ATOM 1029 C ALA A 67 -3.343 -24.207 9.691 1.00 2.04 C ATOM 1030 O ALA A 67 -2.631 -25.053 9.150 1.00 14.51 O ATOM 1031 CB ALA A 67 -5.783 -23.664 9.782 1.00 63.41 C ATOM 0 H ALA A 67 -5.201 -25.123 7.701 1.00 51.22 H new ATOM 0 HA ALA A 67 -4.279 -22.532 8.765 1.00 13.53 H new ATOM 0 HB1 ALA A 67 -5.616 -23.179 10.744 1.00 63.41 H new ATOM 0 HB2 ALA A 67 -6.598 -23.163 9.260 1.00 63.41 H new ATOM 0 HB3 ALA A 67 -6.044 -24.710 9.944 1.00 63.41 H new ATOM 1037 N GLU A 68 -3.147 -23.786 10.937 1.00 55.40 N ATOM 1038 CA GLU A 68 -2.059 -24.305 11.757 1.00 74.42 C ATOM 1039 C GLU A 68 -2.122 -25.828 11.843 1.00 53.33 C ATOM 1040 O GLU A 68 -1.104 -26.492 12.035 1.00 4.32 O ATOM 1041 CB GLU A 68 -2.116 -23.702 13.162 1.00 52.44 C ATOM 1042 CG GLU A 68 -3.504 -23.729 13.780 1.00 23.02 C ATOM 1043 CD GLU A 68 -3.467 -23.726 15.296 1.00 23.11 C ATOM 1044 OE1 GLU A 68 -2.545 -24.344 15.869 1.00 74.41 O ATOM 1045 OE2 GLU A 68 -4.360 -23.105 15.910 1.00 43.25 O ATOM 0 H GLU A 68 -3.728 -23.087 11.400 1.00 55.40 H new ATOM 0 HA GLU A 68 -1.117 -24.022 11.286 1.00 74.42 H new ATOM 0 HB2 GLU A 68 -1.428 -24.246 13.810 1.00 52.44 H new ATOM 0 HB3 GLU A 68 -1.766 -22.671 13.120 1.00 52.44 H new ATOM 0 HG2 GLU A 68 -4.069 -22.864 13.432 1.00 23.02 H new ATOM 0 HG3 GLU A 68 -4.034 -24.617 13.435 1.00 23.02 H new ATOM 1052 N ARG A 69 -3.326 -26.373 11.699 1.00 24.32 N ATOM 1053 CA ARG A 69 -3.522 -27.816 11.762 1.00 35.53 C ATOM 1054 C ARG A 69 -3.220 -28.466 10.415 1.00 2.11 C ATOM 1055 O ARG A 69 -2.857 -29.640 10.348 1.00 55.43 O ATOM 1056 CB ARG A 69 -4.957 -28.139 12.185 1.00 1.12 C ATOM 1057 CG ARG A 69 -5.226 -27.897 13.661 1.00 3.44 C ATOM 1058 CD ARG A 69 -4.632 -28.999 14.524 1.00 3.01 C ATOM 1059 NE ARG A 69 -4.863 -28.765 15.947 1.00 32.20 N ATOM 1060 CZ ARG A 69 -4.635 -29.675 16.888 1.00 41.31 C ATOM 1061 NH1 ARG A 69 -4.171 -30.872 16.558 1.00 20.23 N ATOM 1062 NH2 ARG A 69 -4.870 -29.387 18.162 1.00 52.23 N ATOM 0 H ARG A 69 -4.179 -25.837 11.538 1.00 24.32 H new ATOM 0 HA ARG A 69 -2.832 -28.219 12.503 1.00 35.53 H new ATOM 0 HB2 ARG A 69 -5.646 -27.534 11.595 1.00 1.12 H new ATOM 0 HB3 ARG A 69 -5.169 -29.182 11.952 1.00 1.12 H new ATOM 0 HG2 ARG A 69 -4.805 -26.936 13.956 1.00 3.44 H new ATOM 0 HG3 ARG A 69 -6.301 -27.840 13.831 1.00 3.44 H new ATOM 0 HD2 ARG A 69 -5.067 -29.957 14.239 1.00 3.01 H new ATOM 0 HD3 ARG A 69 -3.560 -29.068 14.337 1.00 3.01 H new ATOM 0 HE ARG A 69 -5.219 -27.853 16.234 1.00 32.20 H new ATOM 0 HH11 ARG A 69 -3.988 -31.096 15.580 1.00 20.23 H new ATOM 0 HH12 ARG A 69 -3.997 -31.569 17.282 1.00 20.23 H new ATOM 0 HH21 ARG A 69 -5.226 -28.466 18.420 1.00 52.23 H new ATOM 0 HH22 ARG A 69 -4.695 -30.086 18.884 1.00 52.23 H new ATOM 1076 N GLY A 70 -3.372 -27.693 9.344 1.00 61.23 N ATOM 1077 CA GLY A 70 -3.112 -28.210 8.013 1.00 24.41 C ATOM 1078 C GLY A 70 -4.385 -28.514 7.250 1.00 54.15 C ATOM 1079 O GLY A 70 -4.397 -28.501 6.019 1.00 72.55 O ATOM 0 H GLY A 70 -3.671 -26.718 9.374 1.00 61.23 H new ATOM 0 HA2 GLY A 70 -2.522 -27.484 7.454 1.00 24.41 H new ATOM 0 HA3 GLY A 70 -2.513 -29.117 8.090 1.00 24.41 H new ATOM 1083 N ASP A 71 -5.460 -28.789 7.980 1.00 10.15 N ATOM 1084 CA ASP A 71 -6.745 -29.098 7.364 1.00 12.14 C ATOM 1085 C ASP A 71 -7.186 -27.972 6.434 1.00 74.41 C ATOM 1086 O ASP A 71 -6.557 -26.915 6.379 1.00 64.12 O ATOM 1087 CB ASP A 71 -7.807 -29.333 8.440 1.00 60.12 C ATOM 1088 CG ASP A 71 -7.712 -28.334 9.576 1.00 42.42 C ATOM 1089 OD1 ASP A 71 -7.707 -27.116 9.297 1.00 62.24 O ATOM 1090 OD2 ASP A 71 -7.643 -28.769 10.744 1.00 10.21 O ATOM 0 H ASP A 71 -5.467 -28.804 9.000 1.00 10.15 H new ATOM 0 HA ASP A 71 -6.629 -30.007 6.775 1.00 12.14 H new ATOM 0 HB2 ASP A 71 -8.797 -29.272 7.988 1.00 60.12 H new ATOM 0 HB3 ASP A 71 -7.700 -30.342 8.838 1.00 60.12 H new ATOM 1095 N LEU A 72 -8.271 -28.207 5.704 1.00 41.45 N ATOM 1096 CA LEU A 72 -8.796 -27.213 4.774 1.00 55.22 C ATOM 1097 C LEU A 72 -10.027 -26.522 5.353 1.00 3.12 C ATOM 1098 O LEU A 72 -10.932 -27.175 5.872 1.00 22.15 O ATOM 1099 CB LEU A 72 -9.149 -27.871 3.438 1.00 4.25 C ATOM 1100 CG LEU A 72 -7.987 -28.079 2.466 1.00 52.01 C ATOM 1101 CD1 LEU A 72 -8.461 -28.805 1.216 1.00 10.42 C ATOM 1102 CD2 LEU A 72 -7.351 -26.745 2.102 1.00 60.53 C ATOM 0 H LEU A 72 -8.804 -29.076 5.738 1.00 41.45 H new ATOM 0 HA LEU A 72 -8.023 -26.462 4.610 1.00 55.22 H new ATOM 0 HB2 LEU A 72 -9.604 -28.840 3.642 1.00 4.25 H new ATOM 0 HB3 LEU A 72 -9.905 -27.261 2.944 1.00 4.25 H new ATOM 0 HG LEU A 72 -7.234 -28.696 2.956 1.00 52.01 H new ATOM 0 HD11 LEU A 72 -7.621 -28.944 0.536 1.00 10.42 H new ATOM 0 HD12 LEU A 72 -8.869 -29.777 1.493 1.00 10.42 H new ATOM 0 HD13 LEU A 72 -9.233 -28.214 0.723 1.00 10.42 H new ATOM 0 HD21 LEU A 72 -6.526 -26.912 1.410 1.00 60.53 H new ATOM 0 HD22 LEU A 72 -8.096 -26.103 1.631 1.00 60.53 H new ATOM 0 HD23 LEU A 72 -6.975 -26.263 3.004 1.00 60.53 H new ATOM 1114 N VAL A 73 -10.054 -25.196 5.259 1.00 60.21 N ATOM 1115 CA VAL A 73 -11.175 -24.416 5.771 1.00 64.34 C ATOM 1116 C VAL A 73 -11.712 -23.464 4.708 1.00 31.22 C ATOM 1117 O VAL A 73 -11.137 -22.404 4.462 1.00 72.42 O ATOM 1118 CB VAL A 73 -10.771 -23.604 7.015 1.00 10.14 C ATOM 1119 CG1 VAL A 73 -11.944 -22.774 7.515 1.00 43.23 C ATOM 1120 CG2 VAL A 73 -10.256 -24.527 8.110 1.00 53.14 C ATOM 0 H VAL A 73 -9.313 -24.640 4.833 1.00 60.21 H new ATOM 0 HA VAL A 73 -11.955 -25.125 6.047 1.00 64.34 H new ATOM 0 HB VAL A 73 -9.967 -22.923 6.737 1.00 10.14 H new ATOM 0 HG11 VAL A 73 -11.640 -22.207 8.395 1.00 43.23 H new ATOM 0 HG12 VAL A 73 -12.263 -22.086 6.732 1.00 43.23 H new ATOM 0 HG13 VAL A 73 -12.771 -23.434 7.777 1.00 43.23 H new ATOM 0 HG21 VAL A 73 -9.975 -23.936 8.982 1.00 53.14 H new ATOM 0 HG22 VAL A 73 -11.038 -25.234 8.388 1.00 53.14 H new ATOM 0 HG23 VAL A 73 -9.386 -25.073 7.746 1.00 53.14 H new ATOM 1130 N ALA A 74 -12.819 -23.849 4.082 1.00 71.42 N ATOM 1131 CA ALA A 74 -13.436 -23.029 3.047 1.00 13.12 C ATOM 1132 C ALA A 74 -13.739 -21.627 3.566 1.00 64.12 C ATOM 1133 O ALA A 74 -14.677 -21.429 4.338 1.00 51.14 O ATOM 1134 CB ALA A 74 -14.708 -23.691 2.537 1.00 0.24 C ATOM 0 H ALA A 74 -13.307 -24.724 4.274 1.00 71.42 H new ATOM 0 HA ALA A 74 -12.730 -22.938 2.221 1.00 13.12 H new ATOM 0 HB1 ALA A 74 -15.158 -23.067 1.765 1.00 0.24 H new ATOM 0 HB2 ALA A 74 -14.467 -24.669 2.120 1.00 0.24 H new ATOM 0 HB3 ALA A 74 -15.411 -23.812 3.361 1.00 0.24 H new ATOM 1140 N PHE A 75 -12.937 -20.657 3.138 1.00 73.34 N ATOM 1141 CA PHE A 75 -13.118 -19.274 3.560 1.00 13.54 C ATOM 1142 C PHE A 75 -13.955 -18.500 2.546 1.00 54.01 C ATOM 1143 O PHE A 75 -13.967 -18.824 1.359 1.00 71.25 O ATOM 1144 CB PHE A 75 -11.761 -18.592 3.744 1.00 64.24 C ATOM 1145 CG PHE A 75 -11.077 -18.259 2.448 1.00 33.21 C ATOM 1146 CD1 PHE A 75 -11.318 -17.052 1.813 1.00 53.50 C ATOM 1147 CD2 PHE A 75 -10.194 -19.153 1.866 1.00 63.52 C ATOM 1148 CE1 PHE A 75 -10.692 -16.743 0.620 1.00 25.25 C ATOM 1149 CE2 PHE A 75 -9.564 -18.850 0.673 1.00 25.45 C ATOM 1150 CZ PHE A 75 -9.812 -17.643 0.051 1.00 71.13 C ATOM 0 H PHE A 75 -12.156 -20.804 2.499 1.00 73.34 H new ATOM 0 HA PHE A 75 -13.647 -19.279 4.513 1.00 13.54 H new ATOM 0 HB2 PHE A 75 -11.898 -17.676 4.319 1.00 64.24 H new ATOM 0 HB3 PHE A 75 -11.113 -19.243 4.331 1.00 64.24 H new ATOM 0 HD1 PHE A 75 -12.003 -16.344 2.255 1.00 53.50 H new ATOM 0 HD2 PHE A 75 -9.995 -20.098 2.350 1.00 63.52 H new ATOM 0 HE1 PHE A 75 -10.891 -15.799 0.134 1.00 25.25 H new ATOM 0 HE2 PHE A 75 -8.879 -19.557 0.229 1.00 25.45 H new ATOM 0 HZ PHE A 75 -9.319 -17.403 -0.879 1.00 71.13 H new ATOM 1160 N SER A 76 -14.655 -17.476 3.023 1.00 13.33 N ATOM 1161 CA SER A 76 -15.499 -16.658 2.160 1.00 52.10 C ATOM 1162 C SER A 76 -15.868 -15.346 2.846 1.00 41.24 C ATOM 1163 O SER A 76 -16.983 -14.846 2.696 1.00 62.23 O ATOM 1164 CB SER A 76 -16.769 -17.422 1.780 1.00 22.30 C ATOM 1165 OG SER A 76 -17.725 -17.373 2.824 1.00 33.44 O ATOM 0 H SER A 76 -14.654 -17.193 4.003 1.00 13.33 H new ATOM 0 HA SER A 76 -14.936 -16.429 1.255 1.00 52.10 H new ATOM 0 HB2 SER A 76 -17.195 -16.996 0.872 1.00 22.30 H new ATOM 0 HB3 SER A 76 -16.520 -18.460 1.559 1.00 22.30 H new ATOM 0 HG SER A 76 -18.074 -16.461 2.906 1.00 33.44 H new ATOM 1171 N SER A 77 -14.922 -14.793 3.599 1.00 74.02 N ATOM 1172 CA SER A 77 -15.148 -13.541 4.311 1.00 3.15 C ATOM 1173 C SER A 77 -13.824 -12.856 4.639 1.00 70.35 C ATOM 1174 O SER A 77 -12.829 -13.516 4.941 1.00 54.12 O ATOM 1175 CB SER A 77 -15.934 -13.796 5.599 1.00 73.55 C ATOM 1176 OG SER A 77 -16.877 -14.839 5.421 1.00 34.22 O ATOM 0 H SER A 77 -13.993 -15.192 3.731 1.00 74.02 H new ATOM 0 HA SER A 77 -15.728 -12.884 3.663 1.00 3.15 H new ATOM 0 HB2 SER A 77 -15.246 -14.056 6.403 1.00 73.55 H new ATOM 0 HB3 SER A 77 -16.448 -12.884 5.902 1.00 73.55 H new ATOM 0 HG SER A 77 -16.506 -15.678 5.765 1.00 34.22 H new ATOM 1182 N ASP A 78 -13.820 -11.529 4.576 1.00 73.44 N ATOM 1183 CA ASP A 78 -12.620 -10.754 4.866 1.00 51.53 C ATOM 1184 C ASP A 78 -12.026 -11.155 6.212 1.00 2.12 C ATOM 1185 O ASP A 78 -10.808 -11.254 6.359 1.00 51.34 O ATOM 1186 CB ASP A 78 -12.940 -9.258 4.861 1.00 13.11 C ATOM 1187 CG ASP A 78 -13.938 -8.876 5.937 1.00 22.10 C ATOM 1188 OD1 ASP A 78 -15.133 -9.203 5.781 1.00 13.22 O ATOM 1189 OD2 ASP A 78 -13.523 -8.251 6.935 1.00 21.33 O ATOM 0 H ASP A 78 -14.634 -10.968 4.327 1.00 73.44 H new ATOM 0 HA ASP A 78 -11.885 -10.963 4.088 1.00 51.53 H new ATOM 0 HB2 ASP A 78 -12.020 -8.692 5.006 1.00 13.11 H new ATOM 0 HB3 ASP A 78 -13.337 -8.977 3.885 1.00 13.11 H new ATOM 1194 N GLU A 79 -12.894 -11.384 7.192 1.00 15.12 N ATOM 1195 CA GLU A 79 -12.454 -11.772 8.527 1.00 72.51 C ATOM 1196 C GLU A 79 -11.630 -13.056 8.476 1.00 42.42 C ATOM 1197 O GLU A 79 -10.742 -13.268 9.301 1.00 11.20 O ATOM 1198 CB GLU A 79 -13.659 -11.964 9.450 1.00 74.10 C ATOM 1199 CG GLU A 79 -14.701 -12.924 8.900 1.00 51.44 C ATOM 1200 CD GLU A 79 -15.633 -13.451 9.973 1.00 55.20 C ATOM 1201 OE1 GLU A 79 -15.169 -13.652 11.115 1.00 51.41 O ATOM 1202 OE2 GLU A 79 -16.826 -13.663 9.672 1.00 55.24 O ATOM 0 H GLU A 79 -13.906 -11.308 7.087 1.00 15.12 H new ATOM 0 HA GLU A 79 -11.827 -10.973 8.921 1.00 72.51 H new ATOM 0 HB2 GLU A 79 -13.311 -12.332 10.415 1.00 74.10 H new ATOM 0 HB3 GLU A 79 -14.127 -10.996 9.628 1.00 74.10 H new ATOM 0 HG2 GLU A 79 -15.286 -12.418 8.132 1.00 51.44 H new ATOM 0 HG3 GLU A 79 -14.198 -13.762 8.417 1.00 51.44 H new ATOM 1209 N GLU A 80 -11.931 -13.907 7.501 1.00 75.52 N ATOM 1210 CA GLU A 80 -11.219 -15.170 7.343 1.00 34.11 C ATOM 1211 C GLU A 80 -9.885 -14.957 6.633 1.00 34.50 C ATOM 1212 O GLU A 80 -8.932 -15.710 6.840 1.00 52.24 O ATOM 1213 CB GLU A 80 -12.074 -16.168 6.559 1.00 65.41 C ATOM 1214 CG GLU A 80 -13.031 -16.965 7.429 1.00 74.03 C ATOM 1215 CD GLU A 80 -14.454 -16.445 7.358 1.00 40.32 C ATOM 1216 OE1 GLU A 80 -15.068 -16.543 6.274 1.00 23.24 O ATOM 1217 OE2 GLU A 80 -14.953 -15.939 8.384 1.00 13.04 O ATOM 0 H GLU A 80 -12.663 -13.745 6.809 1.00 75.52 H new ATOM 0 HA GLU A 80 -11.022 -15.574 8.336 1.00 34.11 H new ATOM 0 HB2 GLU A 80 -12.646 -15.629 5.804 1.00 65.41 H new ATOM 0 HB3 GLU A 80 -11.418 -16.858 6.029 1.00 65.41 H new ATOM 0 HG2 GLU A 80 -13.014 -18.010 7.119 1.00 74.03 H new ATOM 0 HG3 GLU A 80 -12.688 -16.934 8.463 1.00 74.03 H new ATOM 1224 N LEU A 81 -9.826 -13.928 5.795 1.00 24.33 N ATOM 1225 CA LEU A 81 -8.609 -13.616 5.053 1.00 12.52 C ATOM 1226 C LEU A 81 -7.552 -13.010 5.971 1.00 51.41 C ATOM 1227 O LEU A 81 -6.408 -13.465 6.005 1.00 35.33 O ATOM 1228 CB LEU A 81 -8.921 -12.650 3.908 1.00 23.32 C ATOM 1229 CG LEU A 81 -9.417 -13.287 2.610 1.00 70.23 C ATOM 1230 CD1 LEU A 81 -8.394 -14.278 2.076 1.00 40.31 C ATOM 1231 CD2 LEU A 81 -10.759 -13.970 2.830 1.00 70.14 C ATOM 0 H LEU A 81 -10.606 -13.296 5.612 1.00 24.33 H new ATOM 0 HA LEU A 81 -8.216 -14.545 4.640 1.00 12.52 H new ATOM 0 HB2 LEU A 81 -9.674 -11.941 4.252 1.00 23.32 H new ATOM 0 HB3 LEU A 81 -8.021 -12.077 3.687 1.00 23.32 H new ATOM 0 HG LEU A 81 -9.550 -12.499 1.869 1.00 70.23 H new ATOM 0 HD11 LEU A 81 -8.765 -14.721 1.152 1.00 40.31 H new ATOM 0 HD12 LEU A 81 -7.455 -13.761 1.879 1.00 40.31 H new ATOM 0 HD13 LEU A 81 -8.228 -15.063 2.814 1.00 40.31 H new ATOM 0 HD21 LEU A 81 -11.097 -14.418 1.895 1.00 70.14 H new ATOM 0 HD22 LEU A 81 -10.652 -14.747 3.587 1.00 70.14 H new ATOM 0 HD23 LEU A 81 -11.491 -13.235 3.165 1.00 70.14 H new ATOM 1243 N THR A 82 -7.942 -11.980 6.716 1.00 53.01 N ATOM 1244 CA THR A 82 -7.029 -11.312 7.635 1.00 74.10 C ATOM 1245 C THR A 82 -6.346 -12.315 8.557 1.00 64.43 C ATOM 1246 O THR A 82 -5.220 -12.095 9.003 1.00 32.21 O ATOM 1247 CB THR A 82 -7.763 -10.262 8.491 1.00 24.42 C ATOM 1248 OG1 THR A 82 -6.814 -9.383 9.106 1.00 55.31 O ATOM 1249 CG2 THR A 82 -8.608 -10.933 9.563 1.00 75.31 C ATOM 0 H THR A 82 -8.885 -11.590 6.701 1.00 53.01 H new ATOM 0 HA THR A 82 -6.276 -10.812 7.026 1.00 74.10 H new ATOM 0 HB THR A 82 -8.421 -9.688 7.838 1.00 24.42 H new ATOM 0 HG1 THR A 82 -7.288 -8.717 9.647 1.00 55.31 H new ATOM 0 HG21 THR A 82 -9.117 -10.172 10.155 1.00 75.31 H new ATOM 0 HG22 THR A 82 -9.347 -11.580 9.091 1.00 75.31 H new ATOM 0 HG23 THR A 82 -7.966 -11.529 10.212 1.00 75.31 H new ATOM 1257 N MET A 83 -7.033 -13.418 8.837 1.00 4.02 N ATOM 1258 CA MET A 83 -6.489 -14.456 9.705 1.00 32.40 C ATOM 1259 C MET A 83 -5.573 -15.393 8.924 1.00 2.00 C ATOM 1260 O MET A 83 -4.530 -15.814 9.423 1.00 44.02 O ATOM 1261 CB MET A 83 -7.622 -15.255 10.352 1.00 75.02 C ATOM 1262 CG MET A 83 -7.291 -15.759 11.747 1.00 13.02 C ATOM 1263 SD MET A 83 -8.704 -15.686 12.865 1.00 2.05 S ATOM 1264 CE MET A 83 -9.999 -16.347 11.819 1.00 44.40 C ATOM 0 H MET A 83 -7.966 -13.616 8.476 1.00 4.02 H new ATOM 0 HA MET A 83 -5.903 -13.971 10.486 1.00 32.40 H new ATOM 0 HB2 MET A 83 -8.513 -14.630 10.403 1.00 75.02 H new ATOM 0 HB3 MET A 83 -7.865 -16.106 9.715 1.00 75.02 H new ATOM 0 HG2 MET A 83 -6.936 -16.788 11.683 1.00 13.02 H new ATOM 0 HG3 MET A 83 -6.475 -15.165 12.160 1.00 13.02 H new ATOM 0 HE1 MET A 83 -10.759 -16.824 12.438 1.00 44.40 H new ATOM 0 HE2 MET A 83 -10.453 -15.538 11.247 1.00 44.40 H new ATOM 0 HE3 MET A 83 -9.575 -17.082 11.135 1.00 44.40 H new ATOM 1274 N ALA A 84 -5.970 -15.715 7.697 1.00 21.34 N ATOM 1275 CA ALA A 84 -5.183 -16.601 6.848 1.00 53.54 C ATOM 1276 C ALA A 84 -3.792 -16.028 6.598 1.00 60.41 C ATOM 1277 O ALA A 84 -2.789 -16.726 6.744 1.00 4.44 O ATOM 1278 CB ALA A 84 -5.902 -16.841 5.528 1.00 23.42 C ATOM 0 H ALA A 84 -6.831 -15.376 7.269 1.00 21.34 H new ATOM 0 HA ALA A 84 -5.068 -17.553 7.365 1.00 53.54 H new ATOM 0 HB1 ALA A 84 -5.304 -17.504 4.903 1.00 23.42 H new ATOM 0 HB2 ALA A 84 -6.872 -17.300 5.720 1.00 23.42 H new ATOM 0 HB3 ALA A 84 -6.046 -15.891 5.014 1.00 23.42 H new ATOM 1284 N MET A 85 -3.740 -14.755 6.220 1.00 61.55 N ATOM 1285 CA MET A 85 -2.470 -14.090 5.950 1.00 75.11 C ATOM 1286 C MET A 85 -1.563 -14.133 7.175 1.00 13.15 C ATOM 1287 O MET A 85 -0.342 -14.027 7.060 1.00 54.15 O ATOM 1288 CB MET A 85 -2.710 -12.639 5.529 1.00 72.03 C ATOM 1289 CG MET A 85 -3.364 -12.503 4.163 1.00 4.30 C ATOM 1290 SD MET A 85 -3.244 -10.830 3.500 1.00 70.44 S ATOM 1291 CE MET A 85 -3.103 -11.171 1.747 1.00 53.32 C ATOM 0 H MET A 85 -4.561 -14.164 6.094 1.00 61.55 H new ATOM 0 HA MET A 85 -1.976 -14.620 5.136 1.00 75.11 H new ATOM 0 HB2 MET A 85 -3.339 -12.152 6.274 1.00 72.03 H new ATOM 0 HB3 MET A 85 -1.757 -12.109 5.521 1.00 72.03 H new ATOM 0 HG2 MET A 85 -2.894 -13.200 3.468 1.00 4.30 H new ATOM 0 HG3 MET A 85 -4.414 -12.786 4.237 1.00 4.30 H new ATOM 0 HE1 MET A 85 -3.020 -10.232 1.199 1.00 53.32 H new ATOM 0 HE2 MET A 85 -2.216 -11.777 1.564 1.00 53.32 H new ATOM 0 HE3 MET A 85 -3.987 -11.711 1.409 1.00 53.32 H new ATOM 1301 N SER A 86 -2.168 -14.288 8.349 1.00 70.31 N ATOM 1302 CA SER A 86 -1.414 -14.341 9.596 1.00 15.22 C ATOM 1303 C SER A 86 -0.534 -15.586 9.647 1.00 42.41 C ATOM 1304 O SER A 86 0.468 -15.622 10.361 1.00 22.14 O ATOM 1305 CB SER A 86 -2.367 -14.327 10.793 1.00 32.02 C ATOM 1306 OG SER A 86 -1.733 -13.795 11.943 1.00 32.15 O ATOM 0 H SER A 86 -3.178 -14.379 8.462 1.00 70.31 H new ATOM 0 HA SER A 86 -0.772 -13.462 9.641 1.00 15.22 H new ATOM 0 HB2 SER A 86 -3.249 -13.733 10.553 1.00 32.02 H new ATOM 0 HB3 SER A 86 -2.711 -15.340 11.000 1.00 32.02 H new ATOM 0 HG SER A 86 -2.363 -13.795 12.694 1.00 32.15 H new ATOM 1312 N TYR A 87 -0.915 -16.604 8.884 1.00 54.32 N ATOM 1313 CA TYR A 87 -0.163 -17.852 8.843 1.00 40.14 C ATOM 1314 C TYR A 87 0.924 -17.798 7.774 1.00 45.51 C ATOM 1315 O TYR A 87 1.930 -18.503 7.858 1.00 51.01 O ATOM 1316 CB TYR A 87 -1.102 -19.029 8.571 1.00 4.14 C ATOM 1317 CG TYR A 87 -2.164 -19.213 9.632 1.00 64.12 C ATOM 1318 CD1 TYR A 87 -3.344 -18.481 9.595 1.00 72.32 C ATOM 1319 CD2 TYR A 87 -1.986 -20.118 10.671 1.00 32.00 C ATOM 1320 CE1 TYR A 87 -4.317 -18.646 10.562 1.00 51.32 C ATOM 1321 CE2 TYR A 87 -2.954 -20.290 11.641 1.00 32.14 C ATOM 1322 CZ TYR A 87 -4.118 -19.552 11.583 1.00 43.54 C ATOM 1323 OH TYR A 87 -5.084 -19.719 12.548 1.00 2.02 O ATOM 0 H TYR A 87 -1.741 -16.589 8.285 1.00 54.32 H new ATOM 0 HA TYR A 87 0.313 -17.992 9.814 1.00 40.14 H new ATOM 0 HB2 TYR A 87 -1.586 -18.881 7.606 1.00 4.14 H new ATOM 0 HB3 TYR A 87 -0.513 -19.943 8.496 1.00 4.14 H new ATOM 0 HD1 TYR A 87 -3.504 -17.771 8.797 1.00 72.32 H new ATOM 0 HD2 TYR A 87 -1.075 -20.697 10.721 1.00 32.00 H new ATOM 0 HE1 TYR A 87 -5.229 -18.069 10.519 1.00 51.32 H new ATOM 0 HE2 TYR A 87 -2.800 -20.999 12.441 1.00 32.14 H new ATOM 0 HH TYR A 87 -4.788 -20.395 13.193 1.00 2.02 H new ATOM 1333 N VAL A 88 0.715 -16.954 6.768 1.00 3.55 N ATOM 1334 CA VAL A 88 1.677 -16.804 5.683 1.00 22.01 C ATOM 1335 C VAL A 88 2.889 -15.995 6.131 1.00 65.04 C ATOM 1336 O VAL A 88 2.866 -14.764 6.122 1.00 22.11 O ATOM 1337 CB VAL A 88 1.040 -16.119 4.459 1.00 24.50 C ATOM 1338 CG1 VAL A 88 2.033 -16.053 3.308 1.00 13.51 C ATOM 1339 CG2 VAL A 88 -0.226 -16.850 4.040 1.00 54.22 C ATOM 0 H VAL A 88 -0.112 -16.364 6.682 1.00 3.55 H new ATOM 0 HA VAL A 88 1.997 -17.808 5.403 1.00 22.01 H new ATOM 0 HB VAL A 88 0.770 -15.099 4.734 1.00 24.50 H new ATOM 0 HG11 VAL A 88 1.566 -15.566 2.452 1.00 13.51 H new ATOM 0 HG12 VAL A 88 2.910 -15.483 3.616 1.00 13.51 H new ATOM 0 HG13 VAL A 88 2.336 -17.063 3.030 1.00 13.51 H new ATOM 0 HG21 VAL A 88 -0.663 -16.353 3.174 1.00 54.22 H new ATOM 0 HG22 VAL A 88 0.017 -17.881 3.782 1.00 54.22 H new ATOM 0 HG23 VAL A 88 -0.941 -16.841 4.863 1.00 54.22 H new ATOM 1349 N LYS A 89 3.949 -16.695 6.521 1.00 3.23 N ATOM 1350 CA LYS A 89 5.174 -16.043 6.971 1.00 35.12 C ATOM 1351 C LYS A 89 5.932 -15.438 5.794 1.00 22.42 C ATOM 1352 O LYS A 89 6.687 -14.479 5.957 1.00 71.33 O ATOM 1353 CB LYS A 89 6.067 -17.043 7.708 1.00 62.51 C ATOM 1354 CG LYS A 89 5.795 -17.118 9.200 1.00 32.23 C ATOM 1355 CD LYS A 89 6.939 -17.787 9.943 1.00 22.11 C ATOM 1356 CE LYS A 89 6.940 -19.293 9.726 1.00 10.44 C ATOM 1357 NZ LYS A 89 8.076 -19.953 10.426 1.00 23.24 N ATOM 0 H LYS A 89 3.985 -17.714 6.535 1.00 3.23 H new ATOM 0 HA LYS A 89 4.899 -15.239 7.654 1.00 35.12 H new ATOM 0 HB2 LYS A 89 5.927 -18.032 7.272 1.00 62.51 H new ATOM 0 HB3 LYS A 89 7.110 -16.770 7.551 1.00 62.51 H new ATOM 0 HG2 LYS A 89 5.643 -16.113 9.594 1.00 32.23 H new ATOM 0 HG3 LYS A 89 4.873 -17.672 9.375 1.00 32.23 H new ATOM 0 HD2 LYS A 89 7.887 -17.369 9.605 1.00 22.11 H new ATOM 0 HD3 LYS A 89 6.857 -17.572 11.008 1.00 22.11 H new ATOM 0 HE2 LYS A 89 6.000 -19.712 10.084 1.00 10.44 H new ATOM 0 HE3 LYS A 89 6.998 -19.506 8.659 1.00 10.44 H new ATOM 0 HZ1 LYS A 89 8.042 -20.978 10.254 1.00 23.24 H new ATOM 0 HZ2 LYS A 89 8.974 -19.571 10.066 1.00 23.24 H new ATOM 0 HZ3 LYS A 89 8.007 -19.771 11.448 1.00 23.24 H new ATOM 1371 N ASP A 90 5.726 -16.004 4.610 1.00 11.10 N ATOM 1372 CA ASP A 90 6.389 -15.519 3.405 1.00 14.50 C ATOM 1373 C ASP A 90 5.525 -14.486 2.688 1.00 13.53 C ATOM 1374 O ASP A 90 4.526 -14.013 3.231 1.00 33.11 O ATOM 1375 CB ASP A 90 6.699 -16.683 2.464 1.00 61.33 C ATOM 1376 CG ASP A 90 7.347 -17.851 3.182 1.00 72.03 C ATOM 1377 OD1 ASP A 90 8.427 -17.656 3.777 1.00 25.40 O ATOM 1378 OD2 ASP A 90 6.773 -18.959 3.149 1.00 73.30 O ATOM 0 H ASP A 90 5.105 -16.799 4.459 1.00 11.10 H new ATOM 0 HA ASP A 90 7.324 -15.043 3.701 1.00 14.50 H new ATOM 0 HB2 ASP A 90 5.777 -17.018 1.989 1.00 61.33 H new ATOM 0 HB3 ASP A 90 7.359 -16.338 1.669 1.00 61.33 H new ATOM 1383 N ASP A 91 5.917 -14.139 1.467 1.00 13.13 N ATOM 1384 CA ASP A 91 5.178 -13.162 0.676 1.00 43.42 C ATOM 1385 C ASP A 91 4.336 -13.852 -0.392 1.00 72.21 C ATOM 1386 O ASP A 91 4.002 -13.254 -1.416 1.00 30.54 O ATOM 1387 CB ASP A 91 6.142 -12.171 0.021 1.00 42.00 C ATOM 1388 CG ASP A 91 7.291 -12.863 -0.686 1.00 42.52 C ATOM 1389 OD1 ASP A 91 7.065 -13.417 -1.782 1.00 45.30 O ATOM 1390 OD2 ASP A 91 8.416 -12.850 -0.143 1.00 60.33 O ATOM 0 H ASP A 91 6.742 -14.520 1.004 1.00 13.13 H new ATOM 0 HA ASP A 91 4.510 -12.620 1.345 1.00 43.42 H new ATOM 0 HB2 ASP A 91 5.596 -11.556 -0.695 1.00 42.00 H new ATOM 0 HB3 ASP A 91 6.539 -11.498 0.781 1.00 42.00 H new ATOM 1395 N ILE A 92 3.997 -15.113 -0.147 1.00 33.32 N ATOM 1396 CA ILE A 92 3.193 -15.884 -1.087 1.00 64.54 C ATOM 1397 C ILE A 92 1.951 -16.454 -0.411 1.00 52.23 C ATOM 1398 O ILE A 92 2.042 -17.121 0.619 1.00 22.13 O ATOM 1399 CB ILE A 92 4.004 -17.040 -1.704 1.00 75.11 C ATOM 1400 CG1 ILE A 92 5.247 -16.499 -2.413 1.00 53.21 C ATOM 1401 CG2 ILE A 92 3.140 -17.835 -2.671 1.00 74.34 C ATOM 1402 CD1 ILE A 92 6.105 -17.578 -3.036 1.00 52.40 C ATOM 0 H ILE A 92 4.267 -15.622 0.695 1.00 33.32 H new ATOM 0 HA ILE A 92 2.890 -15.199 -1.879 1.00 64.54 H new ATOM 0 HB ILE A 92 4.327 -17.706 -0.904 1.00 75.11 H new ATOM 0 HG12 ILE A 92 4.937 -15.799 -3.189 1.00 53.21 H new ATOM 0 HG13 ILE A 92 5.847 -15.936 -1.698 1.00 53.21 H new ATOM 0 HG21 ILE A 92 3.726 -18.648 -3.099 1.00 74.34 H new ATOM 0 HG22 ILE A 92 2.283 -18.247 -2.139 1.00 74.34 H new ATOM 0 HG23 ILE A 92 2.791 -17.180 -3.469 1.00 74.34 H new ATOM 0 HD11 ILE A 92 6.968 -17.122 -3.521 1.00 52.40 H new ATOM 0 HD12 ILE A 92 6.445 -18.265 -2.261 1.00 52.40 H new ATOM 0 HD13 ILE A 92 5.521 -18.126 -3.775 1.00 52.40 H new ATOM 1414 N PHE A 93 0.789 -16.187 -0.999 1.00 63.14 N ATOM 1415 CA PHE A 93 -0.473 -16.674 -0.455 1.00 1.44 C ATOM 1416 C PHE A 93 -0.983 -17.872 -1.250 1.00 42.30 C ATOM 1417 O PHE A 93 -1.428 -17.730 -2.389 1.00 13.00 O ATOM 1418 CB PHE A 93 -1.520 -15.558 -0.463 1.00 72.14 C ATOM 1419 CG PHE A 93 -2.794 -15.926 0.243 1.00 62.03 C ATOM 1420 CD1 PHE A 93 -2.760 -16.540 1.485 1.00 54.53 C ATOM 1421 CD2 PHE A 93 -4.024 -15.658 -0.335 1.00 52.10 C ATOM 1422 CE1 PHE A 93 -3.931 -16.880 2.136 1.00 1.21 C ATOM 1423 CE2 PHE A 93 -5.198 -15.996 0.312 1.00 51.51 C ATOM 1424 CZ PHE A 93 -5.151 -16.606 1.550 1.00 72.43 C ATOM 0 H PHE A 93 0.696 -15.636 -1.852 1.00 63.14 H new ATOM 0 HA PHE A 93 -0.298 -16.992 0.573 1.00 1.44 H new ATOM 0 HB2 PHE A 93 -1.097 -14.670 0.007 1.00 72.14 H new ATOM 0 HB3 PHE A 93 -1.749 -15.293 -1.495 1.00 72.14 H new ATOM 0 HD1 PHE A 93 -1.809 -16.755 1.949 1.00 54.53 H new ATOM 0 HD2 PHE A 93 -4.066 -15.179 -1.302 1.00 52.10 H new ATOM 0 HE1 PHE A 93 -3.892 -17.360 3.103 1.00 1.21 H new ATOM 0 HE2 PHE A 93 -6.151 -15.783 -0.150 1.00 51.51 H new ATOM 0 HZ PHE A 93 -6.067 -16.868 2.059 1.00 72.43 H new ATOM 1434 N ARG A 94 -0.913 -19.051 -0.642 1.00 34.25 N ATOM 1435 CA ARG A 94 -1.366 -20.275 -1.293 1.00 1.43 C ATOM 1436 C ARG A 94 -2.764 -20.658 -0.818 1.00 14.03 C ATOM 1437 O ARG A 94 -3.094 -20.505 0.359 1.00 74.53 O ATOM 1438 CB ARG A 94 -0.389 -21.418 -1.012 1.00 72.13 C ATOM 1439 CG ARG A 94 1.038 -21.118 -1.440 1.00 23.42 C ATOM 1440 CD ARG A 94 2.030 -22.052 -0.764 1.00 30.14 C ATOM 1441 NE ARG A 94 2.101 -21.825 0.677 1.00 35.13 N ATOM 1442 CZ ARG A 94 2.763 -22.616 1.514 1.00 1.33 C ATOM 1443 NH1 ARG A 94 3.409 -23.679 1.056 1.00 41.01 N ATOM 1444 NH2 ARG A 94 2.781 -22.343 2.813 1.00 72.03 N ATOM 0 H ARG A 94 -0.547 -19.185 0.301 1.00 34.25 H new ATOM 0 HA ARG A 94 -1.403 -20.094 -2.367 1.00 1.43 H new ATOM 0 HB2 ARG A 94 -0.400 -21.640 0.055 1.00 72.13 H new ATOM 0 HB3 ARG A 94 -0.733 -22.314 -1.528 1.00 72.13 H new ATOM 0 HG2 ARG A 94 1.123 -21.217 -2.522 1.00 23.42 H new ATOM 0 HG3 ARG A 94 1.283 -20.085 -1.194 1.00 23.42 H new ATOM 0 HD2 ARG A 94 1.742 -23.086 -0.954 1.00 30.14 H new ATOM 0 HD3 ARG A 94 3.018 -21.910 -1.202 1.00 30.14 H new ATOM 0 HE ARG A 94 1.616 -21.015 1.062 1.00 35.13 H new ATOM 0 HH11 ARG A 94 3.399 -23.891 0.058 1.00 41.01 H new ATOM 0 HH12 ARG A 94 3.916 -24.285 1.701 1.00 41.01 H new ATOM 0 HH21 ARG A 94 2.286 -21.525 3.169 1.00 72.03 H new ATOM 0 HH22 ARG A 94 3.290 -22.951 3.455 1.00 72.03 H new ATOM 1458 N ILE A 95 -3.581 -21.155 -1.740 1.00 72.22 N ATOM 1459 CA ILE A 95 -4.943 -21.561 -1.415 1.00 51.44 C ATOM 1460 C ILE A 95 -5.425 -22.665 -2.349 1.00 75.33 C ATOM 1461 O ILE A 95 -4.921 -22.816 -3.462 1.00 62.12 O ATOM 1462 CB ILE A 95 -5.919 -20.372 -1.497 1.00 50.15 C ATOM 1463 CG1 ILE A 95 -5.754 -19.640 -2.831 1.00 11.32 C ATOM 1464 CG2 ILE A 95 -5.693 -19.420 -0.333 1.00 12.24 C ATOM 1465 CD1 ILE A 95 -6.885 -18.683 -3.139 1.00 22.23 C ATOM 0 H ILE A 95 -3.324 -21.286 -2.718 1.00 72.22 H new ATOM 0 HA ILE A 95 -4.925 -21.936 -0.392 1.00 51.44 H new ATOM 0 HB ILE A 95 -6.939 -20.753 -1.436 1.00 50.15 H new ATOM 0 HG12 ILE A 95 -4.814 -19.088 -2.819 1.00 11.32 H new ATOM 0 HG13 ILE A 95 -5.682 -20.375 -3.633 1.00 11.32 H new ATOM 0 HG21 ILE A 95 -6.390 -18.585 -0.405 1.00 12.24 H new ATOM 0 HG22 ILE A 95 -5.856 -19.949 0.606 1.00 12.24 H new ATOM 0 HG23 ILE A 95 -4.671 -19.043 -0.365 1.00 12.24 H new ATOM 0 HD11 ILE A 95 -6.702 -18.200 -4.099 1.00 22.23 H new ATOM 0 HD12 ILE A 95 -7.825 -19.233 -3.183 1.00 22.23 H new ATOM 0 HD13 ILE A 95 -6.944 -17.926 -2.357 1.00 22.23 H new ATOM 1477 N TYR A 96 -6.406 -23.434 -1.890 1.00 33.21 N ATOM 1478 CA TYR A 96 -6.957 -24.526 -2.684 1.00 33.11 C ATOM 1479 C TYR A 96 -8.305 -24.138 -3.283 1.00 55.41 C ATOM 1480 O TYR A 96 -9.298 -23.999 -2.568 1.00 32.12 O ATOM 1481 CB TYR A 96 -7.111 -25.782 -1.825 1.00 34.14 C ATOM 1482 CG TYR A 96 -5.795 -26.363 -1.360 1.00 71.43 C ATOM 1483 CD1 TYR A 96 -5.023 -25.711 -0.407 1.00 32.13 C ATOM 1484 CD2 TYR A 96 -5.323 -27.564 -1.876 1.00 21.14 C ATOM 1485 CE1 TYR A 96 -3.820 -26.238 0.020 1.00 5.02 C ATOM 1486 CE2 TYR A 96 -4.121 -28.099 -1.454 1.00 33.14 C ATOM 1487 CZ TYR A 96 -3.373 -27.432 -0.506 1.00 31.31 C ATOM 1488 OH TYR A 96 -2.175 -27.961 -0.084 1.00 21.30 O ATOM 0 H TYR A 96 -6.836 -23.321 -0.972 1.00 33.21 H new ATOM 0 HA TYR A 96 -6.264 -24.734 -3.499 1.00 33.11 H new ATOM 0 HB2 TYR A 96 -7.721 -25.544 -0.954 1.00 34.14 H new ATOM 0 HB3 TYR A 96 -7.651 -26.538 -2.395 1.00 34.14 H new ATOM 0 HD1 TYR A 96 -5.370 -24.776 0.007 1.00 32.13 H new ATOM 0 HD2 TYR A 96 -5.906 -28.088 -2.619 1.00 21.14 H new ATOM 0 HE1 TYR A 96 -3.232 -25.718 0.762 1.00 5.02 H new ATOM 0 HE2 TYR A 96 -3.769 -29.034 -1.864 1.00 33.14 H new ATOM 0 HH TYR A 96 -2.007 -28.806 -0.552 1.00 21.30 H new ATOM 1498 N ILE A 97 -8.332 -23.964 -4.600 1.00 50.11 N ATOM 1499 CA ILE A 97 -9.558 -23.593 -5.297 1.00 24.33 C ATOM 1500 C ILE A 97 -10.347 -24.829 -5.715 1.00 51.12 C ATOM 1501 O ILE A 97 -9.817 -25.726 -6.371 1.00 41.45 O ATOM 1502 CB ILE A 97 -9.260 -22.741 -6.544 1.00 52.14 C ATOM 1503 CG1 ILE A 97 -8.326 -21.583 -6.187 1.00 64.32 C ATOM 1504 CG2 ILE A 97 -10.554 -22.217 -7.149 1.00 14.24 C ATOM 1505 CD1 ILE A 97 -8.868 -20.683 -5.099 1.00 44.23 C ATOM 0 H ILE A 97 -7.519 -24.074 -5.206 1.00 50.11 H new ATOM 0 HA ILE A 97 -10.153 -23.004 -4.599 1.00 24.33 H new ATOM 0 HB ILE A 97 -8.763 -23.369 -7.284 1.00 52.14 H new ATOM 0 HG12 ILE A 97 -7.365 -21.987 -5.868 1.00 64.32 H new ATOM 0 HG13 ILE A 97 -8.141 -20.988 -7.081 1.00 64.32 H new ATOM 0 HG21 ILE A 97 -10.327 -21.616 -8.030 1.00 14.24 H new ATOM 0 HG22 ILE A 97 -11.188 -23.056 -7.436 1.00 14.24 H new ATOM 0 HG23 ILE A 97 -11.076 -21.602 -6.416 1.00 14.24 H new ATOM 0 HD11 ILE A 97 -8.154 -19.885 -4.898 1.00 44.23 H new ATOM 0 HD12 ILE A 97 -9.814 -20.250 -5.423 1.00 44.23 H new ATOM 0 HD13 ILE A 97 -9.027 -21.265 -4.191 1.00 44.23 H new ATOM 1517 N LYS A 98 -11.619 -24.869 -5.333 1.00 20.12 N ATOM 1518 CA LYS A 98 -12.485 -25.993 -5.670 1.00 42.33 C ATOM 1519 C LYS A 98 -13.854 -25.505 -6.134 1.00 3.25 C ATOM 1520 O LYS A 98 -14.495 -24.699 -5.461 1.00 11.24 O ATOM 1521 CB LYS A 98 -12.644 -26.921 -4.464 1.00 3.10 C ATOM 1522 CG LYS A 98 -11.743 -28.143 -4.514 1.00 3.33 C ATOM 1523 CD LYS A 98 -12.220 -29.226 -3.561 1.00 63.44 C ATOM 1524 CE LYS A 98 -11.634 -30.583 -3.922 1.00 43.12 C ATOM 1525 NZ LYS A 98 -12.613 -31.433 -4.653 1.00 72.54 N ATOM 0 H LYS A 98 -12.073 -24.135 -4.789 1.00 20.12 H new ATOM 0 HA LYS A 98 -12.020 -26.546 -6.486 1.00 42.33 H new ATOM 0 HB2 LYS A 98 -12.431 -26.360 -3.554 1.00 3.10 H new ATOM 0 HB3 LYS A 98 -13.682 -27.248 -4.402 1.00 3.10 H new ATOM 0 HG2 LYS A 98 -11.718 -28.536 -5.530 1.00 3.33 H new ATOM 0 HG3 LYS A 98 -10.723 -27.855 -4.258 1.00 3.33 H new ATOM 0 HD2 LYS A 98 -11.937 -28.966 -2.541 1.00 63.44 H new ATOM 0 HD3 LYS A 98 -13.308 -29.280 -3.585 1.00 63.44 H new ATOM 0 HE2 LYS A 98 -10.745 -30.443 -4.537 1.00 43.12 H new ATOM 0 HE3 LYS A 98 -11.316 -31.095 -3.014 1.00 43.12 H new ATOM 0 HZ1 LYS A 98 -12.176 -32.349 -4.881 1.00 72.54 H new ATOM 0 HZ2 LYS A 98 -13.451 -31.588 -4.057 1.00 72.54 H new ATOM 0 HZ3 LYS A 98 -12.897 -30.957 -5.533 1.00 72.54 H new ATOM 1539 N GLU A 99 -14.295 -26.000 -7.286 1.00 21.13 N ATOM 1540 CA GLU A 99 -15.588 -25.614 -7.837 1.00 54.00 C ATOM 1541 C GLU A 99 -16.722 -26.364 -7.143 1.00 4.24 C ATOM 1542 O GLU A 99 -16.638 -27.572 -6.921 1.00 73.13 O ATOM 1543 CB GLU A 99 -15.628 -25.887 -9.342 1.00 33.30 C ATOM 1544 CG GLU A 99 -15.250 -27.312 -9.712 1.00 52.42 C ATOM 1545 CD GLU A 99 -16.385 -28.061 -10.384 1.00 2.35 C ATOM 1546 OE1 GLU A 99 -17.542 -27.908 -9.940 1.00 21.34 O ATOM 1547 OE2 GLU A 99 -16.115 -28.800 -11.354 1.00 0.53 O ATOM 0 H GLU A 99 -13.776 -26.669 -7.855 1.00 21.13 H new ATOM 0 HA GLU A 99 -15.723 -24.546 -7.665 1.00 54.00 H new ATOM 0 HB2 GLU A 99 -16.631 -25.678 -9.714 1.00 33.30 H new ATOM 0 HB3 GLU A 99 -14.951 -25.198 -9.846 1.00 33.30 H new ATOM 0 HG2 GLU A 99 -14.387 -27.294 -10.378 1.00 52.42 H new ATOM 0 HG3 GLU A 99 -14.947 -27.849 -8.813 1.00 52.42 H new ATOM 1554 N LYS A 100 -17.781 -25.638 -6.800 1.00 63.13 N ATOM 1555 CA LYS A 100 -18.932 -26.232 -6.132 1.00 31.25 C ATOM 1556 C LYS A 100 -19.668 -27.189 -7.063 1.00 74.43 C ATOM 1557 O LYS A 100 -19.739 -28.391 -6.805 1.00 32.12 O ATOM 1558 CB LYS A 100 -19.887 -25.139 -5.648 1.00 12.40 C ATOM 1559 CG LYS A 100 -19.272 -24.204 -4.621 1.00 43.33 C ATOM 1560 CD LYS A 100 -20.331 -23.583 -3.727 1.00 12.44 C ATOM 1561 CE LYS A 100 -20.885 -22.299 -4.327 1.00 31.53 C ATOM 1562 NZ LYS A 100 -20.000 -21.133 -4.055 1.00 13.11 N ATOM 0 H LYS A 100 -17.865 -24.637 -6.974 1.00 63.13 H new ATOM 0 HA LYS A 100 -18.570 -26.796 -5.273 1.00 31.25 H new ATOM 0 HB2 LYS A 100 -20.221 -24.554 -6.505 1.00 12.40 H new ATOM 0 HB3 LYS A 100 -20.772 -25.607 -5.217 1.00 12.40 H new ATOM 0 HG2 LYS A 100 -18.556 -24.754 -4.010 1.00 43.33 H new ATOM 0 HG3 LYS A 100 -18.718 -23.416 -5.131 1.00 43.33 H new ATOM 0 HD2 LYS A 100 -21.143 -24.294 -3.575 1.00 12.44 H new ATOM 0 HD3 LYS A 100 -19.903 -23.373 -2.747 1.00 12.44 H new ATOM 0 HE2 LYS A 100 -21.003 -22.422 -5.404 1.00 31.53 H new ATOM 0 HE3 LYS A 100 -21.877 -22.105 -3.918 1.00 31.53 H new ATOM 0 HZ1 LYS A 100 -20.367 -20.296 -4.551 1.00 13.11 H new ATOM 0 HZ2 LYS A 100 -19.975 -20.947 -3.032 1.00 13.11 H new ATOM 0 HZ3 LYS A 100 -19.038 -21.341 -4.392 1.00 13.11 H new