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 67:sc= 0.685 USER MOD Set 1.2: A 77 SER OG : rot 180:sc= -0.0304 USER MOD Single : A 3 SER OG : rot -19:sc= 0.18 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0896 USER MOD Single : A 7 LYS NZ :NH3+ 168:sc=-0.00014 (180deg=-0.0934) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -179:sc= -0.0183 (180deg=-0.0204) USER MOD Single : A 24 SER OG : rot 180:sc= -0.337 USER MOD Single : A 42 CYS SG : rot -150:sc= -0.416 USER MOD Single : A 47 SER OG : rot 103:sc= 0.00652 USER MOD Single : A 62 GLN : amide:sc= -1.7! C(o=-1.7!,f=-2.4!) USER MOD Single : A 64 HIS : no HD1:sc= -5.03! C(o=-5!,f=-5.5!) USER MOD Single : A 65 TYR OH : rot 130:sc= 0.271 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl -177:sc= 0 (180deg=-0.00703) USER MOD Single : A 86 SER OG : rot -170:sc= -0.21 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+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 35 N SER A 3 3.079 -5.605 -2.349 1.00 2.45 N ATOM 36 CA SER A 3 2.281 -6.602 -3.052 1.00 52.41 C ATOM 37 C SER A 3 2.690 -8.013 -2.642 1.00 62.03 C ATOM 38 O SER A 3 3.856 -8.271 -2.338 1.00 52.43 O ATOM 39 CB SER A 3 2.434 -6.433 -4.565 1.00 34.00 C ATOM 40 OG SER A 3 3.799 -6.339 -4.932 1.00 50.03 O ATOM 0 HA SER A 3 1.236 -6.453 -2.781 1.00 52.41 H new ATOM 0 HB2 SER A 3 1.974 -7.278 -5.077 1.00 34.00 H new ATOM 0 HB3 SER A 3 1.904 -5.537 -4.889 1.00 34.00 H new ATOM 0 HG SER A 3 4.333 -6.099 -4.146 1.00 50.03 H new ATOM 46 N LEU A 4 1.723 -8.924 -2.636 1.00 65.23 N ATOM 47 CA LEU A 4 1.981 -10.311 -2.264 1.00 44.11 C ATOM 48 C LEU A 4 1.398 -11.270 -3.297 1.00 43.43 C ATOM 49 O LEU A 4 0.223 -11.176 -3.654 1.00 63.31 O ATOM 50 CB LEU A 4 1.390 -10.608 -0.885 1.00 51.10 C ATOM 51 CG LEU A 4 1.485 -9.480 0.143 1.00 12.01 C ATOM 52 CD1 LEU A 4 0.219 -8.638 0.130 1.00 53.43 C ATOM 53 CD2 LEU A 4 1.737 -10.045 1.533 1.00 33.32 C ATOM 0 H LEU A 4 0.753 -8.727 -2.884 1.00 65.23 H new ATOM 0 HA LEU A 4 3.061 -10.457 -2.229 1.00 44.11 H new ATOM 0 HB2 LEU A 4 0.340 -10.870 -1.011 1.00 51.10 H new ATOM 0 HB3 LEU A 4 1.891 -11.486 -0.478 1.00 51.10 H new ATOM 0 HG LEU A 4 2.325 -8.840 -0.125 1.00 12.01 H new ATOM 0 HD11 LEU A 4 0.305 -7.840 0.868 1.00 53.43 H new ATOM 0 HD12 LEU A 4 0.081 -8.203 -0.860 1.00 53.43 H new ATOM 0 HD13 LEU A 4 -0.638 -9.266 0.373 1.00 53.43 H new ATOM 0 HD21 LEU A 4 1.802 -9.228 2.252 1.00 33.32 H new ATOM 0 HD22 LEU A 4 0.918 -10.708 1.810 1.00 33.32 H new ATOM 0 HD23 LEU A 4 2.673 -10.604 1.534 1.00 33.32 H new ATOM 65 N THR A 5 2.227 -12.194 -3.774 1.00 11.50 N ATOM 66 CA THR A 5 1.794 -13.170 -4.765 1.00 71.31 C ATOM 67 C THR A 5 0.793 -14.153 -4.168 1.00 50.20 C ATOM 68 O THR A 5 0.986 -14.656 -3.061 1.00 42.31 O ATOM 69 CB THR A 5 2.988 -13.956 -5.338 1.00 62.43 C ATOM 70 OG1 THR A 5 4.098 -13.888 -4.436 1.00 41.00 O ATOM 71 CG2 THR A 5 3.397 -13.406 -6.696 1.00 42.40 C ATOM 0 H THR A 5 3.202 -12.286 -3.489 1.00 11.50 H new ATOM 0 HA THR A 5 1.316 -12.612 -5.570 1.00 71.31 H new ATOM 0 HB THR A 5 2.684 -14.995 -5.462 1.00 62.43 H new ATOM 0 HG1 THR A 5 4.852 -14.392 -4.807 1.00 41.00 H new ATOM 0 HG21 THR A 5 4.242 -13.977 -7.080 1.00 42.40 H new ATOM 0 HG22 THR A 5 2.559 -13.487 -7.389 1.00 42.40 H new ATOM 0 HG23 THR A 5 3.683 -12.359 -6.593 1.00 42.40 H new ATOM 79 N VAL A 6 -0.278 -14.423 -4.908 1.00 64.13 N ATOM 80 CA VAL A 6 -1.309 -15.348 -4.452 1.00 43.43 C ATOM 81 C VAL A 6 -1.364 -16.589 -5.336 1.00 3.30 C ATOM 82 O VAL A 6 -1.808 -16.529 -6.483 1.00 24.02 O ATOM 83 CB VAL A 6 -2.696 -14.679 -4.439 1.00 10.34 C ATOM 84 CG1 VAL A 6 -3.760 -15.664 -3.980 1.00 22.41 C ATOM 85 CG2 VAL A 6 -2.683 -13.444 -3.550 1.00 41.11 C ATOM 0 H VAL A 6 -0.454 -14.014 -5.826 1.00 64.13 H new ATOM 0 HA VAL A 6 -1.045 -15.641 -3.436 1.00 43.43 H new ATOM 0 HB VAL A 6 -2.939 -14.366 -5.455 1.00 10.34 H new ATOM 0 HG11 VAL A 6 -4.733 -15.173 -3.977 1.00 22.41 H new ATOM 0 HG12 VAL A 6 -3.785 -16.516 -4.660 1.00 22.41 H new ATOM 0 HG13 VAL A 6 -3.525 -16.010 -2.973 1.00 22.41 H new ATOM 0 HG21 VAL A 6 -3.671 -12.984 -3.552 1.00 41.11 H new ATOM 0 HG22 VAL A 6 -2.419 -13.731 -2.532 1.00 41.11 H new ATOM 0 HG23 VAL A 6 -1.950 -12.731 -3.928 1.00 41.11 H new ATOM 95 N LYS A 7 -0.910 -17.714 -4.795 1.00 31.23 N ATOM 96 CA LYS A 7 -0.909 -18.972 -5.532 1.00 64.00 C ATOM 97 C LYS A 7 -2.202 -19.745 -5.292 1.00 43.35 C ATOM 98 O LYS A 7 -2.514 -20.115 -4.161 1.00 63.43 O ATOM 99 CB LYS A 7 0.292 -19.827 -5.121 1.00 4.34 C ATOM 100 CG LYS A 7 1.620 -19.299 -5.637 1.00 72.22 C ATOM 101 CD LYS A 7 2.766 -20.233 -5.286 1.00 33.21 C ATOM 102 CE LYS A 7 2.837 -21.413 -6.244 1.00 11.25 C ATOM 103 NZ LYS A 7 3.366 -21.013 -7.577 1.00 74.41 N ATOM 0 H LYS A 7 -0.538 -17.780 -3.848 1.00 31.23 H new ATOM 0 HA LYS A 7 -0.836 -18.741 -6.595 1.00 64.00 H new ATOM 0 HB2 LYS A 7 0.331 -19.884 -4.033 1.00 4.34 H new ATOM 0 HB3 LYS A 7 0.147 -20.843 -5.489 1.00 4.34 H new ATOM 0 HG2 LYS A 7 1.568 -19.176 -6.719 1.00 72.22 H new ATOM 0 HG3 LYS A 7 1.810 -18.313 -5.213 1.00 72.22 H new ATOM 0 HD2 LYS A 7 3.707 -19.683 -5.314 1.00 33.21 H new ATOM 0 HD3 LYS A 7 2.640 -20.598 -4.267 1.00 33.21 H new ATOM 0 HE2 LYS A 7 3.474 -22.189 -5.818 1.00 11.25 H new ATOM 0 HE3 LYS A 7 1.843 -21.845 -6.362 1.00 11.25 H new ATOM 0 HZ1 LYS A 7 3.591 -21.864 -8.131 1.00 74.41 H new ATOM 0 HZ2 LYS A 7 2.650 -20.451 -8.080 1.00 74.41 H new ATOM 0 HZ3 LYS A 7 4.227 -20.444 -7.452 1.00 74.41 H new ATOM 117 N ALA A 8 -2.949 -19.985 -6.365 1.00 33.24 N ATOM 118 CA ALA A 8 -4.206 -20.717 -6.271 1.00 15.02 C ATOM 119 C ALA A 8 -4.100 -22.080 -6.946 1.00 70.01 C ATOM 120 O ALA A 8 -3.574 -22.196 -8.053 1.00 43.21 O ATOM 121 CB ALA A 8 -5.336 -19.906 -6.889 1.00 32.54 C ATOM 0 H ALA A 8 -2.706 -19.683 -7.308 1.00 33.24 H new ATOM 0 HA ALA A 8 -4.425 -20.880 -5.216 1.00 15.02 H new ATOM 0 HB1 ALA A 8 -6.269 -20.464 -6.812 1.00 32.54 H new ATOM 0 HB2 ALA A 8 -5.436 -18.958 -6.360 1.00 32.54 H new ATOM 0 HB3 ALA A 8 -5.114 -19.714 -7.939 1.00 32.54 H new ATOM 127 N TYR A 9 -4.602 -23.109 -6.273 1.00 21.22 N ATOM 128 CA TYR A 9 -4.560 -24.465 -6.807 1.00 32.31 C ATOM 129 C TYR A 9 -5.965 -24.971 -7.120 1.00 51.11 C ATOM 130 O TYR A 9 -6.812 -25.077 -6.232 1.00 52.12 O ATOM 131 CB TYR A 9 -3.877 -25.406 -5.813 1.00 72.51 C ATOM 132 CG TYR A 9 -2.434 -25.051 -5.536 1.00 41.22 C ATOM 133 CD1 TYR A 9 -1.412 -25.536 -6.342 1.00 65.04 C ATOM 134 CD2 TYR A 9 -2.092 -24.231 -4.468 1.00 55.41 C ATOM 135 CE1 TYR A 9 -0.091 -25.214 -6.093 1.00 33.41 C ATOM 136 CE2 TYR A 9 -0.775 -23.902 -4.212 1.00 33.50 C ATOM 137 CZ TYR A 9 0.222 -24.397 -5.027 1.00 14.01 C ATOM 138 OH TYR A 9 1.535 -24.074 -4.774 1.00 41.43 O ATOM 0 H TYR A 9 -5.043 -23.030 -5.357 1.00 21.22 H new ATOM 0 HA TYR A 9 -3.985 -24.446 -7.733 1.00 32.31 H new ATOM 0 HB2 TYR A 9 -4.432 -25.394 -4.875 1.00 72.51 H new ATOM 0 HB3 TYR A 9 -3.924 -26.424 -6.199 1.00 72.51 H new ATOM 0 HD1 TYR A 9 -1.654 -26.176 -7.178 1.00 65.04 H new ATOM 0 HD2 TYR A 9 -2.870 -23.844 -3.826 1.00 55.41 H new ATOM 0 HE1 TYR A 9 0.691 -25.600 -6.730 1.00 33.41 H new ATOM 0 HE2 TYR A 9 -0.527 -23.261 -3.379 1.00 33.50 H new ATOM 0 HH TYR A 9 1.583 -23.490 -3.989 1.00 41.43 H new ATOM 148 N LEU A 10 -6.205 -25.283 -8.389 1.00 12.50 N ATOM 149 CA LEU A 10 -7.507 -25.778 -8.822 1.00 30.31 C ATOM 150 C LEU A 10 -7.572 -27.299 -8.720 1.00 41.14 C ATOM 151 O LEU A 10 -6.654 -28.000 -9.149 1.00 74.21 O ATOM 152 CB LEU A 10 -7.790 -25.339 -10.260 1.00 24.33 C ATOM 153 CG LEU A 10 -9.112 -25.818 -10.860 1.00 63.23 C ATOM 154 CD1 LEU A 10 -10.277 -25.429 -9.964 1.00 30.42 C ATOM 155 CD2 LEU A 10 -9.299 -25.249 -12.259 1.00 14.10 C ATOM 0 H LEU A 10 -5.515 -25.202 -9.136 1.00 12.50 H new ATOM 0 HA LEU A 10 -8.266 -25.355 -8.164 1.00 30.31 H new ATOM 0 HB2 LEU A 10 -7.771 -24.250 -10.297 1.00 24.33 H new ATOM 0 HB3 LEU A 10 -6.977 -25.693 -10.894 1.00 24.33 H new ATOM 0 HG LEU A 10 -9.084 -26.905 -10.932 1.00 63.23 H new ATOM 0 HD11 LEU A 10 -11.209 -25.778 -10.407 1.00 30.42 H new ATOM 0 HD12 LEU A 10 -10.149 -25.885 -8.982 1.00 30.42 H new ATOM 0 HD13 LEU A 10 -10.309 -24.345 -9.859 1.00 30.42 H new ATOM 0 HD21 LEU A 10 -10.245 -25.600 -12.671 1.00 14.10 H new ATOM 0 HD22 LEU A 10 -9.306 -24.160 -12.211 1.00 14.10 H new ATOM 0 HD23 LEU A 10 -8.480 -25.579 -12.898 1.00 14.10 H new ATOM 167 N LEU A 11 -8.662 -27.803 -8.153 1.00 11.33 N ATOM 168 CA LEU A 11 -8.848 -29.241 -7.997 1.00 35.12 C ATOM 169 C LEU A 11 -9.922 -29.757 -8.949 1.00 73.42 C ATOM 170 O LEU A 11 -10.969 -29.133 -9.118 1.00 30.42 O ATOM 171 CB LEU A 11 -9.229 -29.572 -6.553 1.00 33.42 C ATOM 172 CG LEU A 11 -8.514 -28.766 -5.468 1.00 52.02 C ATOM 173 CD1 LEU A 11 -8.839 -29.320 -4.090 1.00 12.24 C ATOM 174 CD2 LEU A 11 -7.011 -28.769 -5.705 1.00 51.33 C ATOM 0 H LEU A 11 -9.431 -27.237 -7.794 1.00 11.33 H new ATOM 0 HA LEU A 11 -7.906 -29.733 -8.240 1.00 35.12 H new ATOM 0 HB2 LEU A 11 -10.303 -29.424 -6.439 1.00 33.42 H new ATOM 0 HB3 LEU A 11 -9.033 -30.630 -6.380 1.00 33.42 H new ATOM 0 HG LEU A 11 -8.867 -27.736 -5.515 1.00 52.02 H new ATOM 0 HD11 LEU A 11 -8.321 -28.734 -3.331 1.00 12.24 H new ATOM 0 HD12 LEU A 11 -9.914 -29.265 -3.920 1.00 12.24 H new ATOM 0 HD13 LEU A 11 -8.515 -30.359 -4.030 1.00 12.24 H new ATOM 0 HD21 LEU A 11 -6.518 -28.191 -4.923 1.00 51.33 H new ATOM 0 HD22 LEU A 11 -6.642 -29.794 -5.685 1.00 51.33 H new ATOM 0 HD23 LEU A 11 -6.795 -28.324 -6.676 1.00 51.33 H new ATOM 186 N GLY A 12 -9.656 -30.903 -9.569 1.00 25.43 N ATOM 187 CA GLY A 12 -10.609 -31.485 -10.495 1.00 32.53 C ATOM 188 C GLY A 12 -11.254 -32.744 -9.948 1.00 51.32 C ATOM 189 O GLY A 12 -12.046 -32.687 -9.007 1.00 3.51 O ATOM 0 H GLY A 12 -8.797 -31.439 -9.446 1.00 25.43 H new ATOM 0 HA2 GLY A 12 -11.384 -30.753 -10.722 1.00 32.53 H new ATOM 0 HA3 GLY A 12 -10.104 -31.717 -11.433 1.00 32.53 H new ATOM 193 N LYS A 13 -10.917 -33.884 -10.540 1.00 70.52 N ATOM 194 CA LYS A 13 -11.468 -35.163 -10.108 1.00 74.33 C ATOM 195 C LYS A 13 -10.533 -35.853 -9.120 1.00 53.00 C ATOM 196 O LYS A 13 -10.959 -36.292 -8.052 1.00 52.23 O ATOM 197 CB LYS A 13 -11.711 -36.071 -11.316 1.00 31.41 C ATOM 198 CG LYS A 13 -12.124 -35.319 -12.569 1.00 71.32 C ATOM 199 CD LYS A 13 -10.931 -35.033 -13.466 1.00 75.33 C ATOM 200 CE LYS A 13 -10.805 -36.069 -14.573 1.00 54.11 C ATOM 201 NZ LYS A 13 -10.348 -37.386 -14.051 1.00 30.24 N ATOM 0 H LYS A 13 -10.264 -33.949 -11.321 1.00 70.52 H new ATOM 0 HA LYS A 13 -12.418 -34.971 -9.608 1.00 74.33 H new ATOM 0 HB2 LYS A 13 -10.802 -36.635 -11.524 1.00 31.41 H new ATOM 0 HB3 LYS A 13 -12.486 -36.796 -11.065 1.00 31.41 H new ATOM 0 HG2 LYS A 13 -12.862 -35.903 -13.119 1.00 71.32 H new ATOM 0 HG3 LYS A 13 -12.604 -34.381 -12.290 1.00 71.32 H new ATOM 0 HD2 LYS A 13 -11.034 -34.041 -13.905 1.00 75.33 H new ATOM 0 HD3 LYS A 13 -10.019 -35.024 -12.869 1.00 75.33 H new ATOM 0 HE2 LYS A 13 -11.768 -36.189 -15.069 1.00 54.11 H new ATOM 0 HE3 LYS A 13 -10.101 -35.713 -15.325 1.00 54.11 H new ATOM 0 HZ1 LYS A 13 -10.258 -38.059 -14.838 1.00 30.24 H new ATOM 0 HZ2 LYS A 13 -9.425 -37.273 -13.585 1.00 30.24 H new ATOM 0 HZ3 LYS A 13 -11.041 -37.747 -13.364 1.00 30.24 H new ATOM 215 N GLU A 14 -9.258 -35.943 -9.483 1.00 63.23 N ATOM 216 CA GLU A 14 -8.263 -36.579 -8.627 1.00 74.10 C ATOM 217 C GLU A 14 -7.863 -35.656 -7.480 1.00 42.20 C ATOM 218 O GLU A 14 -7.103 -36.045 -6.594 1.00 11.24 O ATOM 219 CB GLU A 14 -7.027 -36.964 -9.442 1.00 50.13 C ATOM 220 CG GLU A 14 -7.355 -37.592 -10.786 1.00 54.55 C ATOM 221 CD GLU A 14 -6.117 -37.882 -11.613 1.00 34.35 C ATOM 222 OE1 GLU A 14 -5.139 -37.114 -11.504 1.00 24.33 O ATOM 223 OE2 GLU A 14 -6.127 -38.877 -12.367 1.00 53.14 O ATOM 0 H GLU A 14 -8.889 -35.584 -10.364 1.00 63.23 H new ATOM 0 HA GLU A 14 -8.707 -37.481 -8.206 1.00 74.10 H new ATOM 0 HB2 GLU A 14 -6.418 -36.075 -9.605 1.00 50.13 H new ATOM 0 HB3 GLU A 14 -6.423 -37.662 -8.862 1.00 50.13 H new ATOM 0 HG2 GLU A 14 -7.905 -38.519 -10.625 1.00 54.55 H new ATOM 0 HG3 GLU A 14 -8.012 -36.925 -11.344 1.00 54.55 H new ATOM 230 N GLU A 15 -8.379 -34.431 -7.506 1.00 34.11 N ATOM 231 CA GLU A 15 -8.074 -33.452 -6.469 1.00 73.12 C ATOM 232 C GLU A 15 -6.567 -33.257 -6.332 1.00 51.41 C ATOM 233 O GLU A 15 -6.024 -33.288 -5.228 1.00 54.41 O ATOM 234 CB GLU A 15 -8.666 -33.894 -5.129 1.00 72.02 C ATOM 235 CG GLU A 15 -10.159 -33.637 -5.009 1.00 21.02 C ATOM 236 CD GLU A 15 -10.990 -34.681 -5.728 1.00 75.14 C ATOM 237 OE1 GLU A 15 -10.765 -35.886 -5.490 1.00 22.13 O ATOM 238 OE2 GLU A 15 -11.866 -34.294 -6.530 1.00 11.21 O ATOM 0 H GLU A 15 -9.010 -34.093 -8.233 1.00 34.11 H new ATOM 0 HA GLU A 15 -8.521 -32.501 -6.760 1.00 73.12 H new ATOM 0 HB2 GLU A 15 -8.477 -34.959 -4.991 1.00 72.02 H new ATOM 0 HB3 GLU A 15 -8.150 -33.372 -4.323 1.00 72.02 H new ATOM 0 HG2 GLU A 15 -10.437 -33.619 -3.955 1.00 21.02 H new ATOM 0 HG3 GLU A 15 -10.388 -32.652 -5.416 1.00 21.02 H new ATOM 245 N ALA A 16 -5.897 -33.056 -7.462 1.00 52.23 N ATOM 246 CA ALA A 16 -4.454 -32.854 -7.469 1.00 43.12 C ATOM 247 C ALA A 16 -4.096 -31.464 -7.984 1.00 13.30 C ATOM 248 O ALA A 16 -3.530 -30.649 -7.256 1.00 43.24 O ATOM 249 CB ALA A 16 -3.775 -33.922 -8.314 1.00 34.10 C ATOM 0 H ALA A 16 -6.331 -33.029 -8.385 1.00 52.23 H new ATOM 0 HA ALA A 16 -4.096 -32.936 -6.443 1.00 43.12 H new ATOM 0 HB1 ALA A 16 -2.697 -33.758 -8.310 1.00 34.10 H new ATOM 0 HB2 ALA A 16 -3.994 -34.907 -7.901 1.00 34.10 H new ATOM 0 HB3 ALA A 16 -4.147 -33.867 -9.337 1.00 34.10 H new ATOM 255 N ALA A 17 -4.431 -31.200 -9.243 1.00 4.11 N ATOM 256 CA ALA A 17 -4.146 -29.908 -9.854 1.00 41.32 C ATOM 257 C ALA A 17 -4.662 -29.853 -11.288 1.00 71.01 C ATOM 258 O ALA A 17 -4.135 -30.526 -12.174 1.00 23.02 O ATOM 259 CB ALA A 17 -2.651 -29.625 -9.818 1.00 53.42 C ATOM 0 H ALA A 17 -4.900 -31.864 -9.859 1.00 4.11 H new ATOM 0 HA ALA A 17 -4.664 -29.140 -9.279 1.00 41.32 H new ATOM 0 HB1 ALA A 17 -2.453 -28.657 -10.278 1.00 53.42 H new ATOM 0 HB2 ALA A 17 -2.308 -29.613 -8.783 1.00 53.42 H new ATOM 0 HB3 ALA A 17 -2.120 -30.403 -10.367 1.00 53.42 H new ATOM 265 N ARG A 18 -5.696 -29.048 -11.509 1.00 74.34 N ATOM 266 CA ARG A 18 -6.285 -28.908 -12.836 1.00 1.22 C ATOM 267 C ARG A 18 -5.721 -27.686 -13.554 1.00 42.52 C ATOM 268 O ARG A 18 -5.600 -27.675 -14.779 1.00 12.23 O ATOM 269 CB ARG A 18 -7.807 -28.794 -12.732 1.00 70.43 C ATOM 270 CG ARG A 18 -8.547 -29.464 -13.879 1.00 30.25 C ATOM 271 CD ARG A 18 -9.975 -28.954 -13.993 1.00 70.33 C ATOM 272 NE ARG A 18 -10.934 -29.872 -13.385 1.00 15.12 N ATOM 273 CZ ARG A 18 -12.239 -29.630 -13.313 1.00 23.20 C ATOM 274 NH1 ARG A 18 -12.736 -28.506 -13.810 1.00 33.15 N ATOM 275 NH2 ARG A 18 -13.048 -30.514 -12.744 1.00 32.40 N ATOM 0 H ARG A 18 -6.143 -28.483 -10.787 1.00 74.34 H new ATOM 0 HA ARG A 18 -6.033 -29.797 -13.414 1.00 1.22 H new ATOM 0 HB2 ARG A 18 -8.133 -29.238 -11.792 1.00 70.43 H new ATOM 0 HB3 ARG A 18 -8.083 -27.740 -12.699 1.00 70.43 H new ATOM 0 HG2 ARG A 18 -8.017 -29.278 -14.813 1.00 30.25 H new ATOM 0 HG3 ARG A 18 -8.556 -30.543 -13.727 1.00 30.25 H new ATOM 0 HD2 ARG A 18 -10.051 -27.979 -13.512 1.00 70.33 H new ATOM 0 HD3 ARG A 18 -10.226 -28.811 -15.044 1.00 70.33 H new ATOM 0 HE ARG A 18 -10.583 -30.747 -12.994 1.00 15.12 H new ATOM 0 HH11 ARG A 18 -12.117 -27.825 -14.249 1.00 33.15 H new ATOM 0 HH12 ARG A 18 -13.738 -28.323 -13.754 1.00 33.15 H new ATOM 0 HH21 ARG A 18 -12.669 -31.380 -12.361 1.00 32.40 H new ATOM 0 HH22 ARG A 18 -14.049 -30.328 -12.689 1.00 32.40 H new ATOM 289 N GLU A 19 -5.378 -26.658 -12.783 1.00 63.32 N ATOM 290 CA GLU A 19 -4.828 -25.431 -13.347 1.00 62.11 C ATOM 291 C GLU A 19 -4.070 -24.637 -12.287 1.00 13.21 C ATOM 292 O GLU A 19 -4.526 -24.507 -11.150 1.00 51.13 O ATOM 293 CB GLU A 19 -5.945 -24.572 -13.942 1.00 50.34 C ATOM 294 CG GLU A 19 -6.275 -24.916 -15.385 1.00 45.12 C ATOM 295 CD GLU A 19 -6.903 -23.756 -16.133 1.00 12.03 C ATOM 296 OE1 GLU A 19 -7.480 -22.867 -15.473 1.00 35.03 O ATOM 297 OE2 GLU A 19 -6.817 -23.738 -17.379 1.00 13.44 O ATOM 0 H GLU A 19 -5.471 -26.651 -11.767 1.00 63.32 H new ATOM 0 HA GLU A 19 -4.130 -25.706 -14.138 1.00 62.11 H new ATOM 0 HB2 GLU A 19 -6.843 -24.688 -13.335 1.00 50.34 H new ATOM 0 HB3 GLU A 19 -5.655 -23.523 -13.885 1.00 50.34 H new ATOM 0 HG2 GLU A 19 -5.364 -25.224 -15.898 1.00 45.12 H new ATOM 0 HG3 GLU A 19 -6.955 -25.767 -15.405 1.00 45.12 H new ATOM 304 N ILE A 20 -2.912 -24.109 -12.667 1.00 40.41 N ATOM 305 CA ILE A 20 -2.092 -23.327 -11.750 1.00 64.11 C ATOM 306 C ILE A 20 -1.906 -21.901 -12.257 1.00 74.03 C ATOM 307 O ILE A 20 -1.827 -21.666 -13.463 1.00 43.31 O ATOM 308 CB ILE A 20 -0.708 -23.971 -11.545 1.00 4.21 C ATOM 309 CG1 ILE A 20 -0.856 -25.458 -11.219 1.00 71.42 C ATOM 310 CG2 ILE A 20 0.051 -23.254 -10.438 1.00 40.20 C ATOM 311 CD1 ILE A 20 0.465 -26.179 -11.068 1.00 5.42 C ATOM 0 H ILE A 20 -2.520 -24.208 -13.603 1.00 40.41 H new ATOM 0 HA ILE A 20 -2.619 -23.305 -10.796 1.00 64.11 H new ATOM 0 HB ILE A 20 -0.139 -23.876 -12.470 1.00 4.21 H new ATOM 0 HG12 ILE A 20 -1.426 -25.564 -10.296 1.00 71.42 H new ATOM 0 HG13 ILE A 20 -1.435 -25.939 -12.008 1.00 71.42 H new ATOM 0 HG21 ILE A 20 1.027 -23.721 -10.305 1.00 40.20 H new ATOM 0 HG22 ILE A 20 0.183 -22.206 -10.707 1.00 40.20 H new ATOM 0 HG23 ILE A 20 -0.513 -23.321 -9.508 1.00 40.20 H new ATOM 0 HD11 ILE A 20 0.282 -27.229 -10.837 1.00 5.42 H new ATOM 0 HD12 ILE A 20 1.029 -26.104 -11.998 1.00 5.42 H new ATOM 0 HD13 ILE A 20 1.037 -25.724 -10.259 1.00 5.42 H new ATOM 323 N ARG A 21 -1.837 -20.953 -11.329 1.00 10.13 N ATOM 324 CA ARG A 21 -1.660 -19.549 -11.681 1.00 73.45 C ATOM 325 C ARG A 21 -1.490 -18.692 -10.431 1.00 10.31 C ATOM 326 O ARG A 21 -2.040 -19.002 -9.374 1.00 40.20 O ATOM 327 CB ARG A 21 -2.856 -19.052 -12.495 1.00 52.43 C ATOM 328 CG ARG A 21 -2.542 -17.844 -13.364 1.00 22.43 C ATOM 329 CD ARG A 21 -1.664 -18.223 -14.547 1.00 14.52 C ATOM 330 NE ARG A 21 -1.586 -17.150 -15.535 1.00 75.32 N ATOM 331 CZ ARG A 21 -2.558 -16.874 -16.398 1.00 12.44 C ATOM 332 NH1 ARG A 21 -3.676 -17.586 -16.393 1.00 32.34 N ATOM 333 NH2 ARG A 21 -2.413 -15.882 -17.267 1.00 0.30 N ATOM 0 H ARG A 21 -1.901 -21.131 -10.327 1.00 10.13 H new ATOM 0 HA ARG A 21 -0.756 -19.462 -12.285 1.00 73.45 H new ATOM 0 HB2 ARG A 21 -3.215 -19.862 -13.130 1.00 52.43 H new ATOM 0 HB3 ARG A 21 -3.668 -18.798 -11.814 1.00 52.43 H new ATOM 0 HG2 ARG A 21 -3.471 -17.403 -13.725 1.00 22.43 H new ATOM 0 HG3 ARG A 21 -2.040 -17.084 -12.765 1.00 22.43 H new ATOM 0 HD2 ARG A 21 -0.662 -18.463 -14.193 1.00 14.52 H new ATOM 0 HD3 ARG A 21 -2.059 -19.123 -15.019 1.00 14.52 H new ATOM 0 HE ARG A 21 -0.739 -16.582 -15.564 1.00 75.32 H new ATOM 0 HH11 ARG A 21 -3.792 -18.348 -15.725 1.00 32.34 H new ATOM 0 HH12 ARG A 21 -4.420 -17.372 -17.057 1.00 32.34 H new ATOM 0 HH21 ARG A 21 -1.555 -15.331 -17.273 1.00 0.30 H new ATOM 0 HH22 ARG A 21 -3.160 -15.671 -17.929 1.00 0.30 H new ATOM 347 N ARG A 22 -0.725 -17.613 -10.559 1.00 44.13 N ATOM 348 CA ARG A 22 -0.480 -16.712 -9.440 1.00 14.34 C ATOM 349 C ARG A 22 -0.529 -15.256 -9.893 1.00 41.41 C ATOM 350 O ARG A 22 -0.116 -14.927 -11.005 1.00 44.33 O ATOM 351 CB ARG A 22 0.877 -17.013 -8.801 1.00 74.31 C ATOM 352 CG ARG A 22 2.038 -16.947 -9.779 1.00 41.22 C ATOM 353 CD ARG A 22 3.139 -17.926 -9.404 1.00 23.11 C ATOM 354 NE ARG A 22 4.408 -17.597 -10.048 1.00 52.23 N ATOM 355 CZ ARG A 22 5.207 -16.617 -9.640 1.00 70.41 C ATOM 356 NH1 ARG A 22 4.871 -15.876 -8.594 1.00 11.41 N ATOM 357 NH2 ARG A 22 6.345 -16.379 -10.279 1.00 5.15 N ATOM 0 H ARG A 22 -0.264 -17.342 -11.427 1.00 44.13 H new ATOM 0 HA ARG A 22 -1.265 -16.871 -8.701 1.00 14.34 H new ATOM 0 HB2 ARG A 22 1.054 -16.304 -7.992 1.00 74.31 H new ATOM 0 HB3 ARG A 22 0.846 -18.006 -8.353 1.00 74.31 H new ATOM 0 HG2 ARG A 22 1.681 -17.168 -10.785 1.00 41.22 H new ATOM 0 HG3 ARG A 22 2.441 -15.935 -9.799 1.00 41.22 H new ATOM 0 HD2 ARG A 22 3.271 -17.926 -8.322 1.00 23.11 H new ATOM 0 HD3 ARG A 22 2.839 -18.935 -9.688 1.00 23.11 H new ATOM 0 HE ARG A 22 4.697 -18.150 -10.855 1.00 52.23 H new ATOM 0 HH11 ARG A 22 3.997 -16.057 -8.100 1.00 11.41 H new ATOM 0 HH12 ARG A 22 5.486 -15.124 -8.283 1.00 11.41 H new ATOM 0 HH21 ARG A 22 6.607 -16.948 -11.084 1.00 5.15 H new ATOM 0 HH22 ARG A 22 6.958 -15.627 -9.966 1.00 5.15 H new ATOM 371 N PHE A 23 -1.037 -14.387 -9.025 1.00 21.43 N ATOM 372 CA PHE A 23 -1.141 -12.967 -9.336 1.00 51.41 C ATOM 373 C PHE A 23 -0.638 -12.117 -8.173 1.00 14.51 C ATOM 374 O PHE A 23 -0.445 -12.615 -7.064 1.00 41.21 O ATOM 375 CB PHE A 23 -2.590 -12.599 -9.662 1.00 72.22 C ATOM 376 CG PHE A 23 -3.535 -12.808 -8.513 1.00 63.22 C ATOM 377 CD1 PHE A 23 -4.164 -14.029 -8.330 1.00 21.02 C ATOM 378 CD2 PHE A 23 -3.793 -11.784 -7.616 1.00 61.32 C ATOM 379 CE1 PHE A 23 -5.034 -14.224 -7.274 1.00 10.32 C ATOM 380 CE2 PHE A 23 -4.662 -11.973 -6.558 1.00 22.20 C ATOM 381 CZ PHE A 23 -5.282 -13.195 -6.386 1.00 73.01 C ATOM 0 H PHE A 23 -1.383 -14.642 -8.100 1.00 21.43 H new ATOM 0 HA PHE A 23 -0.517 -12.765 -10.207 1.00 51.41 H new ATOM 0 HB2 PHE A 23 -2.631 -11.554 -9.970 1.00 72.22 H new ATOM 0 HB3 PHE A 23 -2.926 -13.195 -10.511 1.00 72.22 H new ATOM 0 HD1 PHE A 23 -3.972 -14.837 -9.020 1.00 21.02 H new ATOM 0 HD2 PHE A 23 -3.309 -10.827 -7.745 1.00 61.32 H new ATOM 0 HE1 PHE A 23 -5.520 -15.180 -7.143 1.00 10.32 H new ATOM 0 HE2 PHE A 23 -4.856 -11.166 -5.867 1.00 22.20 H new ATOM 0 HZ PHE A 23 -5.960 -13.346 -5.559 1.00 73.01 H new ATOM 391 N SER A 24 -0.428 -10.830 -8.435 1.00 74.51 N ATOM 392 CA SER A 24 0.056 -9.911 -7.412 1.00 61.02 C ATOM 393 C SER A 24 -1.108 -9.274 -6.659 1.00 41.23 C ATOM 394 O SER A 24 -1.912 -8.543 -7.239 1.00 61.51 O ATOM 395 CB SER A 24 0.926 -8.823 -8.045 1.00 32.01 C ATOM 396 OG SER A 24 1.960 -8.420 -7.164 1.00 13.24 O ATOM 0 H SER A 24 -0.586 -10.401 -9.347 1.00 74.51 H new ATOM 0 HA SER A 24 0.657 -10.480 -6.702 1.00 61.02 H new ATOM 0 HB2 SER A 24 1.359 -9.194 -8.974 1.00 32.01 H new ATOM 0 HB3 SER A 24 0.308 -7.963 -8.303 1.00 32.01 H new ATOM 0 HG SER A 24 2.503 -7.726 -7.592 1.00 13.24 H new ATOM 402 N PHE A 25 -1.191 -9.556 -5.363 1.00 54.24 N ATOM 403 CA PHE A 25 -2.257 -9.012 -4.530 1.00 10.23 C ATOM 404 C PHE A 25 -1.771 -7.791 -3.754 1.00 30.13 C ATOM 405 O PHE A 25 -0.582 -7.662 -3.459 1.00 71.44 O ATOM 406 CB PHE A 25 -2.768 -10.078 -3.558 1.00 42.30 C ATOM 407 CG PHE A 25 -3.922 -9.617 -2.715 1.00 55.34 C ATOM 408 CD1 PHE A 25 -5.127 -9.261 -3.301 1.00 64.34 C ATOM 409 CD2 PHE A 25 -3.804 -9.538 -1.337 1.00 65.31 C ATOM 410 CE1 PHE A 25 -6.191 -8.837 -2.529 1.00 33.01 C ATOM 411 CE2 PHE A 25 -4.865 -9.115 -0.559 1.00 62.25 C ATOM 412 CZ PHE A 25 -6.060 -8.763 -1.156 1.00 42.11 C ATOM 0 H PHE A 25 -0.533 -10.158 -4.867 1.00 54.24 H new ATOM 0 HA PHE A 25 -3.074 -8.704 -5.183 1.00 10.23 H new ATOM 0 HB2 PHE A 25 -3.071 -10.959 -4.124 1.00 42.30 H new ATOM 0 HB3 PHE A 25 -1.951 -10.384 -2.905 1.00 42.30 H new ATOM 0 HD1 PHE A 25 -5.235 -9.316 -4.374 1.00 64.34 H new ATOM 0 HD2 PHE A 25 -2.872 -9.810 -0.865 1.00 65.31 H new ATOM 0 HE1 PHE A 25 -7.124 -8.564 -2.998 1.00 33.01 H new ATOM 0 HE2 PHE A 25 -4.760 -9.060 0.514 1.00 62.25 H new ATOM 0 HZ PHE A 25 -6.890 -8.431 -0.550 1.00 42.11 H new ATOM 598 N GLY A 40 -13.241 -7.162 1.397 1.00 0.15 N ATOM 599 CA GLY A 40 -12.021 -6.571 0.880 1.00 64.43 C ATOM 600 C GLY A 40 -11.135 -7.586 0.185 1.00 23.41 C ATOM 601 O GLY A 40 -11.114 -7.688 -1.042 1.00 13.13 O ATOM 0 HA2 GLY A 40 -12.275 -5.775 0.180 1.00 64.43 H new ATOM 0 HA3 GLY A 40 -11.468 -6.111 1.699 1.00 64.43 H new ATOM 605 N PRO A 41 -10.379 -8.360 0.979 1.00 53.11 N ATOM 606 CA PRO A 41 -9.472 -9.385 0.454 1.00 32.04 C ATOM 607 C PRO A 41 -10.221 -10.568 -0.150 1.00 14.30 C ATOM 608 O PRO A 41 -9.761 -11.178 -1.116 1.00 15.11 O ATOM 609 CB PRO A 41 -8.684 -9.826 1.690 1.00 64.52 C ATOM 610 CG PRO A 41 -9.580 -9.523 2.840 1.00 34.21 C ATOM 611 CD PRO A 41 -10.353 -8.294 2.450 1.00 50.43 C ATOM 0 HA PRO A 41 -8.848 -9.002 -0.353 1.00 32.04 H new ATOM 0 HB2 PRO A 41 -8.441 -10.888 1.646 1.00 64.52 H new ATOM 0 HB3 PRO A 41 -7.740 -9.287 1.771 1.00 64.52 H new ATOM 0 HG2 PRO A 41 -10.251 -10.358 3.043 1.00 34.21 H new ATOM 0 HG3 PRO A 41 -9.004 -9.349 3.749 1.00 34.21 H new ATOM 0 HD2 PRO A 41 -11.359 -8.302 2.870 1.00 50.43 H new ATOM 0 HD3 PRO A 41 -9.867 -7.385 2.803 1.00 50.43 H new ATOM 619 N CYS A 42 -11.376 -10.886 0.424 1.00 55.33 N ATOM 620 CA CYS A 42 -12.190 -11.996 -0.059 1.00 24.41 C ATOM 621 C CYS A 42 -12.838 -11.655 -1.396 1.00 51.44 C ATOM 622 O CYS A 42 -12.717 -12.404 -2.365 1.00 32.24 O ATOM 623 CB CYS A 42 -13.266 -12.351 0.968 1.00 71.42 C ATOM 624 SG CYS A 42 -14.432 -13.615 0.408 1.00 25.53 S ATOM 0 H CYS A 42 -11.770 -10.391 1.224 1.00 55.33 H new ATOM 0 HA CYS A 42 -11.537 -12.857 -0.203 1.00 24.41 H new ATOM 0 HB2 CYS A 42 -12.782 -12.698 1.881 1.00 71.42 H new ATOM 0 HB3 CYS A 42 -13.821 -11.448 1.224 1.00 71.42 H new ATOM 0 HG CYS A 42 -15.587 -13.421 0.973 1.00 25.53 H new ATOM 630 N GLU A 43 -13.527 -10.519 -1.441 1.00 14.22 N ATOM 631 CA GLU A 43 -14.197 -10.080 -2.659 1.00 52.24 C ATOM 632 C GLU A 43 -13.185 -9.810 -3.769 1.00 54.04 C ATOM 633 O GLU A 43 -13.500 -9.933 -4.953 1.00 44.44 O ATOM 634 CB GLU A 43 -15.022 -8.820 -2.389 1.00 10.31 C ATOM 635 CG GLU A 43 -15.560 -8.162 -3.649 1.00 21.13 C ATOM 636 CD GLU A 43 -16.485 -9.072 -4.432 1.00 74.42 C ATOM 637 OE1 GLU A 43 -17.259 -9.820 -3.799 1.00 21.52 O ATOM 638 OE2 GLU A 43 -16.436 -9.036 -5.680 1.00 20.03 O ATOM 0 H GLU A 43 -13.636 -9.886 -0.648 1.00 14.22 H new ATOM 0 HA GLU A 43 -14.864 -10.879 -2.984 1.00 52.24 H new ATOM 0 HB2 GLU A 43 -15.858 -9.076 -1.738 1.00 10.31 H new ATOM 0 HB3 GLU A 43 -14.406 -8.101 -1.849 1.00 10.31 H new ATOM 0 HG2 GLU A 43 -16.095 -7.252 -3.379 1.00 21.13 H new ATOM 0 HG3 GLU A 43 -14.725 -7.865 -4.284 1.00 21.13 H new ATOM 645 N ARG A 44 -11.970 -9.441 -3.377 1.00 71.54 N ATOM 646 CA ARG A 44 -10.912 -9.152 -4.338 1.00 74.32 C ATOM 647 C ARG A 44 -10.239 -10.438 -4.808 1.00 64.23 C ATOM 648 O ARG A 44 -10.044 -10.648 -6.006 1.00 50.34 O ATOM 649 CB ARG A 44 -9.873 -8.216 -3.718 1.00 71.44 C ATOM 650 CG ARG A 44 -10.268 -6.750 -3.768 1.00 11.51 C ATOM 651 CD ARG A 44 -9.089 -5.844 -3.446 1.00 75.11 C ATOM 652 NE ARG A 44 -8.035 -5.939 -4.452 1.00 74.44 N ATOM 653 CZ ARG A 44 -6.949 -5.174 -4.454 1.00 34.42 C ATOM 654 NH1 ARG A 44 -6.775 -4.263 -3.507 1.00 14.21 N ATOM 655 NH2 ARG A 44 -6.034 -5.321 -5.404 1.00 14.24 N ATOM 0 H ARG A 44 -11.694 -9.335 -2.401 1.00 71.54 H new ATOM 0 HA ARG A 44 -11.363 -8.662 -5.201 1.00 74.32 H new ATOM 0 HB2 ARG A 44 -9.710 -8.505 -2.680 1.00 71.44 H new ATOM 0 HB3 ARG A 44 -8.924 -8.346 -4.237 1.00 71.44 H new ATOM 0 HG2 ARG A 44 -10.653 -6.509 -4.759 1.00 11.51 H new ATOM 0 HG3 ARG A 44 -11.075 -6.565 -3.059 1.00 11.51 H new ATOM 0 HD2 ARG A 44 -9.433 -4.812 -3.378 1.00 75.11 H new ATOM 0 HD3 ARG A 44 -8.683 -6.110 -2.470 1.00 75.11 H new ATOM 0 HE ARG A 44 -8.138 -6.631 -5.194 1.00 74.44 H new ATOM 0 HH11 ARG A 44 -7.476 -4.148 -2.775 1.00 14.21 H new ATOM 0 HH12 ARG A 44 -5.940 -3.677 -3.511 1.00 14.21 H new ATOM 0 HH21 ARG A 44 -6.164 -6.022 -6.134 1.00 14.24 H new ATOM 0 HH22 ARG A 44 -5.200 -4.733 -5.405 1.00 14.24 H new ATOM 669 N LEU A 45 -9.884 -11.296 -3.858 1.00 10.33 N ATOM 670 CA LEU A 45 -9.231 -12.561 -4.174 1.00 32.43 C ATOM 671 C LEU A 45 -10.144 -13.451 -5.012 1.00 13.34 C ATOM 672 O LEU A 45 -9.774 -13.887 -6.102 1.00 42.24 O ATOM 673 CB LEU A 45 -8.833 -13.288 -2.888 1.00 10.43 C ATOM 674 CG LEU A 45 -8.490 -14.771 -3.033 1.00 13.31 C ATOM 675 CD1 LEU A 45 -7.392 -14.966 -4.066 1.00 43.03 C ATOM 676 CD2 LEU A 45 -8.073 -15.356 -1.691 1.00 52.44 C ATOM 0 H LEU A 45 -10.038 -11.138 -2.862 1.00 10.33 H new ATOM 0 HA LEU A 45 -8.334 -12.343 -4.754 1.00 32.43 H new ATOM 0 HB2 LEU A 45 -7.972 -12.777 -2.457 1.00 10.43 H new ATOM 0 HB3 LEU A 45 -9.650 -13.193 -2.173 1.00 10.43 H new ATOM 0 HG LEU A 45 -9.380 -15.298 -3.375 1.00 13.31 H new ATOM 0 HD11 LEU A 45 -7.161 -16.027 -4.156 1.00 43.03 H new ATOM 0 HD12 LEU A 45 -7.728 -14.585 -5.030 1.00 43.03 H new ATOM 0 HD13 LEU A 45 -6.498 -14.426 -3.754 1.00 43.03 H new ATOM 0 HD21 LEU A 45 -7.833 -16.412 -1.813 1.00 52.44 H new ATOM 0 HD22 LEU A 45 -7.197 -14.825 -1.319 1.00 52.44 H new ATOM 0 HD23 LEU A 45 -8.891 -15.250 -0.978 1.00 52.44 H new ATOM 688 N LEU A 46 -11.340 -13.714 -4.496 1.00 61.41 N ATOM 689 CA LEU A 46 -12.308 -14.550 -5.198 1.00 32.13 C ATOM 690 C LEU A 46 -12.564 -14.022 -6.606 1.00 21.23 C ATOM 691 O LEU A 46 -12.928 -14.778 -7.506 1.00 63.44 O ATOM 692 CB LEU A 46 -13.622 -14.609 -4.416 1.00 41.42 C ATOM 693 CG LEU A 46 -13.580 -15.366 -3.089 1.00 20.33 C ATOM 694 CD1 LEU A 46 -14.961 -15.406 -2.453 1.00 1.11 C ATOM 695 CD2 LEU A 46 -13.045 -16.776 -3.296 1.00 14.12 C ATOM 0 H LEU A 46 -11.662 -13.361 -3.595 1.00 61.41 H new ATOM 0 HA LEU A 46 -11.894 -15.555 -5.277 1.00 32.13 H new ATOM 0 HB2 LEU A 46 -13.950 -13.588 -4.219 1.00 41.42 H new ATOM 0 HB3 LEU A 46 -14.379 -15.070 -5.051 1.00 41.42 H new ATOM 0 HG LEU A 46 -12.907 -14.839 -2.413 1.00 20.33 H new ATOM 0 HD11 LEU A 46 -14.911 -15.949 -1.509 1.00 1.11 H new ATOM 0 HD12 LEU A 46 -15.306 -14.389 -2.269 1.00 1.11 H new ATOM 0 HD13 LEU A 46 -15.657 -15.909 -3.125 1.00 1.11 H new ATOM 0 HD21 LEU A 46 -13.022 -17.300 -2.341 1.00 14.12 H new ATOM 0 HD22 LEU A 46 -13.693 -17.313 -3.989 1.00 14.12 H new ATOM 0 HD23 LEU A 46 -12.037 -16.726 -3.707 1.00 14.12 H new ATOM 707 N SER A 47 -12.369 -12.720 -6.789 1.00 32.15 N ATOM 708 CA SER A 47 -12.580 -12.090 -8.087 1.00 33.53 C ATOM 709 C SER A 47 -11.557 -12.587 -9.104 1.00 54.10 C ATOM 710 O SER A 47 -11.909 -12.960 -10.223 1.00 35.50 O ATOM 711 CB SER A 47 -12.492 -10.568 -7.959 1.00 75.43 C ATOM 712 OG SER A 47 -13.770 -9.971 -8.098 1.00 2.54 O ATOM 0 H SER A 47 -12.065 -12.081 -6.055 1.00 32.15 H new ATOM 0 HA SER A 47 -13.576 -12.361 -8.438 1.00 33.53 H new ATOM 0 HB2 SER A 47 -12.067 -10.305 -6.990 1.00 75.43 H new ATOM 0 HB3 SER A 47 -11.818 -10.174 -8.720 1.00 75.43 H new ATOM 0 HG SER A 47 -14.108 -9.713 -7.215 1.00 2.54 H new ATOM 718 N ARG A 48 -10.289 -12.588 -8.706 1.00 52.44 N ATOM 719 CA ARG A 48 -9.214 -13.036 -9.583 1.00 31.52 C ATOM 720 C ARG A 48 -9.339 -14.529 -9.876 1.00 40.32 C ATOM 721 O ARG A 48 -9.320 -14.948 -11.033 1.00 65.43 O ATOM 722 CB ARG A 48 -7.854 -12.743 -8.948 1.00 4.22 C ATOM 723 CG ARG A 48 -7.762 -11.365 -8.314 1.00 13.53 C ATOM 724 CD ARG A 48 -8.199 -10.276 -9.281 1.00 51.15 C ATOM 725 NE ARG A 48 -7.451 -9.037 -9.085 1.00 52.14 N ATOM 726 CZ ARG A 48 -7.863 -7.853 -9.524 1.00 13.44 C ATOM 727 NH1 ARG A 48 -9.011 -7.747 -10.179 1.00 31.20 N ATOM 728 NH2 ARG A 48 -7.127 -6.770 -9.306 1.00 60.41 N ATOM 0 H ARG A 48 -9.981 -12.284 -7.782 1.00 52.44 H new ATOM 0 HA ARG A 48 -9.294 -12.490 -10.523 1.00 31.52 H new ATOM 0 HB2 ARG A 48 -7.647 -13.497 -8.189 1.00 4.22 H new ATOM 0 HB3 ARG A 48 -7.079 -12.836 -9.709 1.00 4.22 H new ATOM 0 HG2 ARG A 48 -8.386 -11.332 -7.421 1.00 13.53 H new ATOM 0 HG3 ARG A 48 -6.737 -11.179 -7.994 1.00 13.53 H new ATOM 0 HD2 ARG A 48 -8.062 -10.624 -10.305 1.00 51.15 H new ATOM 0 HD3 ARG A 48 -9.263 -10.081 -9.150 1.00 51.15 H new ATOM 0 HE ARG A 48 -6.564 -9.083 -8.584 1.00 52.14 H new ATOM 0 HH11 ARG A 48 -9.581 -8.576 -10.347 1.00 31.20 H new ATOM 0 HH12 ARG A 48 -9.324 -6.836 -10.515 1.00 31.20 H new ATOM 0 HH21 ARG A 48 -6.244 -6.847 -8.801 1.00 60.41 H new ATOM 0 HH22 ARG A 48 -7.444 -5.861 -9.644 1.00 60.41 H new ATOM 742 N VAL A 49 -9.467 -15.326 -8.820 1.00 2.41 N ATOM 743 CA VAL A 49 -9.595 -16.771 -8.964 1.00 14.23 C ATOM 744 C VAL A 49 -10.657 -17.128 -9.998 1.00 42.22 C ATOM 745 O VAL A 49 -10.549 -18.140 -10.690 1.00 24.05 O ATOM 746 CB VAL A 49 -9.956 -17.438 -7.623 1.00 64.32 C ATOM 747 CG1 VAL A 49 -10.054 -18.947 -7.787 1.00 72.34 C ATOM 748 CG2 VAL A 49 -8.934 -17.075 -6.556 1.00 62.53 C ATOM 0 H VAL A 49 -9.485 -14.995 -7.855 1.00 2.41 H new ATOM 0 HA VAL A 49 -8.627 -17.143 -9.298 1.00 14.23 H new ATOM 0 HB VAL A 49 -10.930 -17.067 -7.303 1.00 64.32 H new ATOM 0 HG11 VAL A 49 -10.310 -19.401 -6.830 1.00 72.34 H new ATOM 0 HG12 VAL A 49 -10.826 -19.184 -8.519 1.00 72.34 H new ATOM 0 HG13 VAL A 49 -9.096 -19.339 -8.130 1.00 72.34 H new ATOM 0 HG21 VAL A 49 -9.204 -17.555 -5.615 1.00 62.53 H new ATOM 0 HG22 VAL A 49 -7.947 -17.416 -6.867 1.00 62.53 H new ATOM 0 HG23 VAL A 49 -8.918 -15.994 -6.421 1.00 62.53 H new ATOM 758 N ALA A 50 -11.683 -16.289 -10.099 1.00 43.10 N ATOM 759 CA ALA A 50 -12.763 -16.514 -11.051 1.00 71.41 C ATOM 760 C ALA A 50 -12.281 -16.320 -12.485 1.00 31.03 C ATOM 761 O ALA A 50 -12.469 -17.188 -13.337 1.00 34.32 O ATOM 762 CB ALA A 50 -13.931 -15.585 -10.754 1.00 63.12 C ATOM 0 H ALA A 50 -11.789 -15.447 -9.533 1.00 43.10 H new ATOM 0 HA ALA A 50 -13.098 -17.546 -10.945 1.00 71.41 H new ATOM 0 HB1 ALA A 50 -14.730 -15.764 -11.473 1.00 63.12 H new ATOM 0 HB2 ALA A 50 -14.300 -15.775 -9.746 1.00 63.12 H new ATOM 0 HB3 ALA A 50 -13.600 -14.549 -10.830 1.00 63.12 H new ATOM 768 N VAL A 51 -11.659 -15.175 -12.745 1.00 3.43 N ATOM 769 CA VAL A 51 -11.149 -14.866 -14.076 1.00 32.35 C ATOM 770 C VAL A 51 -9.944 -15.736 -14.418 1.00 14.43 C ATOM 771 O VAL A 51 -9.624 -15.938 -15.590 1.00 20.44 O ATOM 772 CB VAL A 51 -10.749 -13.384 -14.194 1.00 2.33 C ATOM 773 CG1 VAL A 51 -9.777 -13.003 -13.087 1.00 53.10 C ATOM 774 CG2 VAL A 51 -10.148 -13.102 -15.562 1.00 64.24 C ATOM 0 H VAL A 51 -11.496 -14.445 -12.051 1.00 3.43 H new ATOM 0 HA VAL A 51 -11.955 -15.073 -14.780 1.00 32.35 H new ATOM 0 HB VAL A 51 -11.646 -12.774 -14.083 1.00 2.33 H new ATOM 0 HG11 VAL A 51 -9.506 -11.952 -13.187 1.00 53.10 H new ATOM 0 HG12 VAL A 51 -10.248 -13.166 -12.117 1.00 53.10 H new ATOM 0 HG13 VAL A 51 -8.880 -13.618 -13.163 1.00 53.10 H new ATOM 0 HG21 VAL A 51 -9.871 -12.050 -15.628 1.00 64.24 H new ATOM 0 HG22 VAL A 51 -9.262 -13.720 -15.704 1.00 64.24 H new ATOM 0 HG23 VAL A 51 -10.880 -13.334 -16.336 1.00 64.24 H new ATOM 784 N LEU A 52 -9.280 -16.248 -13.388 1.00 1.33 N ATOM 785 CA LEU A 52 -8.109 -17.097 -13.578 1.00 52.05 C ATOM 786 C LEU A 52 -8.522 -18.542 -13.843 1.00 3.45 C ATOM 787 O LEU A 52 -7.886 -19.246 -14.627 1.00 22.44 O ATOM 788 CB LEU A 52 -7.201 -17.030 -12.350 1.00 22.54 C ATOM 789 CG LEU A 52 -6.564 -15.671 -12.058 1.00 71.13 C ATOM 790 CD1 LEU A 52 -5.946 -15.658 -10.669 1.00 13.33 C ATOM 791 CD2 LEU A 52 -5.519 -15.335 -13.112 1.00 1.10 C ATOM 0 H LEU A 52 -9.532 -16.090 -12.412 1.00 1.33 H new ATOM 0 HA LEU A 52 -7.561 -16.730 -14.446 1.00 52.05 H new ATOM 0 HB2 LEU A 52 -7.781 -17.332 -11.478 1.00 22.54 H new ATOM 0 HB3 LEU A 52 -6.404 -17.763 -12.472 1.00 22.54 H new ATOM 0 HG LEU A 52 -7.344 -14.911 -12.093 1.00 71.13 H new ATOM 0 HD11 LEU A 52 -5.498 -14.683 -10.479 1.00 13.33 H new ATOM 0 HD12 LEU A 52 -6.719 -15.853 -9.925 1.00 13.33 H new ATOM 0 HD13 LEU A 52 -5.178 -16.429 -10.605 1.00 13.33 H new ATOM 0 HD21 LEU A 52 -5.076 -14.365 -12.889 1.00 1.10 H new ATOM 0 HD22 LEU A 52 -4.741 -16.098 -13.109 1.00 1.10 H new ATOM 0 HD23 LEU A 52 -5.991 -15.301 -14.094 1.00 1.10 H new ATOM 803 N PHE A 53 -9.591 -18.976 -13.184 1.00 54.34 N ATOM 804 CA PHE A 53 -10.090 -20.336 -13.349 1.00 31.22 C ATOM 805 C PHE A 53 -11.496 -20.332 -13.943 1.00 24.22 C ATOM 806 O PHE A 53 -12.482 -20.636 -13.271 1.00 63.02 O ATOM 807 CB PHE A 53 -10.095 -21.066 -12.004 1.00 63.31 C ATOM 808 CG PHE A 53 -8.721 -21.291 -11.439 1.00 51.13 C ATOM 809 CD1 PHE A 53 -7.680 -21.700 -12.257 1.00 20.34 C ATOM 810 CD2 PHE A 53 -8.471 -21.093 -10.091 1.00 34.02 C ATOM 811 CE1 PHE A 53 -6.415 -21.908 -11.740 1.00 43.51 C ATOM 812 CE2 PHE A 53 -7.208 -21.298 -9.569 1.00 33.22 C ATOM 813 CZ PHE A 53 -6.179 -21.707 -10.394 1.00 60.12 C ATOM 0 H PHE A 53 -10.128 -18.406 -12.531 1.00 54.34 H new ATOM 0 HA PHE A 53 -9.426 -20.859 -14.037 1.00 31.22 H new ATOM 0 HB2 PHE A 53 -10.683 -20.490 -11.289 1.00 63.31 H new ATOM 0 HB3 PHE A 53 -10.592 -22.029 -12.124 1.00 63.31 H new ATOM 0 HD1 PHE A 53 -7.859 -21.858 -13.310 1.00 20.34 H new ATOM 0 HD2 PHE A 53 -9.272 -20.775 -9.441 1.00 34.02 H new ATOM 0 HE1 PHE A 53 -5.612 -22.227 -12.388 1.00 43.51 H new ATOM 0 HE2 PHE A 53 -7.026 -21.138 -8.516 1.00 33.22 H new ATOM 0 HZ PHE A 53 -5.192 -21.869 -9.988 1.00 60.12 H new ATOM 823 N PRO A 54 -11.591 -19.979 -15.233 1.00 41.03 N ATOM 824 CA PRO A 54 -12.870 -19.926 -15.947 1.00 72.42 C ATOM 825 C PRO A 54 -13.461 -21.313 -16.182 1.00 3.45 C ATOM 826 O PRO A 54 -14.617 -21.445 -16.582 1.00 22.52 O ATOM 827 CB PRO A 54 -12.506 -19.268 -17.280 1.00 64.12 C ATOM 828 CG PRO A 54 -11.061 -19.576 -17.472 1.00 3.30 C ATOM 829 CD PRO A 54 -10.457 -19.604 -16.095 1.00 31.40 C ATOM 0 HA PRO A 54 -13.629 -19.385 -15.382 1.00 72.42 H new ATOM 0 HB2 PRO A 54 -13.108 -19.668 -18.096 1.00 64.12 H new ATOM 0 HB3 PRO A 54 -12.681 -18.193 -17.252 1.00 64.12 H new ATOM 0 HG2 PRO A 54 -10.930 -20.534 -17.975 1.00 3.30 H new ATOM 0 HG3 PRO A 54 -10.580 -18.821 -18.094 1.00 3.30 H new ATOM 0 HD2 PRO A 54 -9.644 -20.327 -16.027 1.00 31.40 H new ATOM 0 HD3 PRO A 54 -10.045 -18.634 -15.817 1.00 31.40 H new ATOM 837 N ALA A 55 -12.659 -22.342 -15.929 1.00 75.41 N ATOM 838 CA ALA A 55 -13.104 -23.719 -16.110 1.00 52.33 C ATOM 839 C ALA A 55 -14.364 -24.000 -15.299 1.00 12.23 C ATOM 840 O ALA A 55 -15.142 -24.896 -15.630 1.00 65.01 O ATOM 841 CB ALA A 55 -11.997 -24.687 -15.722 1.00 3.25 C ATOM 0 H ALA A 55 -11.699 -22.249 -15.598 1.00 75.41 H new ATOM 0 HA ALA A 55 -13.343 -23.862 -17.164 1.00 52.33 H new ATOM 0 HB1 ALA A 55 -12.343 -25.711 -15.862 1.00 3.25 H new ATOM 0 HB2 ALA A 55 -11.123 -24.511 -16.349 1.00 3.25 H new ATOM 0 HB3 ALA A 55 -11.730 -24.534 -14.676 1.00 3.25 H new ATOM 847 N LEU A 56 -14.561 -23.230 -14.234 1.00 45.22 N ATOM 848 CA LEU A 56 -15.727 -23.397 -13.374 1.00 1.51 C ATOM 849 C LEU A 56 -16.545 -22.111 -13.310 1.00 42.43 C ATOM 850 O LEU A 56 -16.243 -21.137 -14.001 1.00 14.25 O ATOM 851 CB LEU A 56 -15.292 -23.808 -11.966 1.00 73.23 C ATOM 852 CG LEU A 56 -14.257 -22.907 -11.293 1.00 10.42 C ATOM 853 CD1 LEU A 56 -14.901 -22.092 -10.181 1.00 62.53 C ATOM 854 CD2 LEU A 56 -13.102 -23.735 -10.750 1.00 4.45 C ATOM 0 H LEU A 56 -13.928 -22.484 -13.946 1.00 45.22 H new ATOM 0 HA LEU A 56 -16.352 -24.183 -13.799 1.00 1.51 H new ATOM 0 HB2 LEU A 56 -16.177 -23.848 -11.331 1.00 73.23 H new ATOM 0 HB3 LEU A 56 -14.888 -24.819 -12.013 1.00 73.23 H new ATOM 0 HG LEU A 56 -13.864 -22.217 -12.040 1.00 10.42 H new ATOM 0 HD11 LEU A 56 -14.149 -21.457 -9.713 1.00 62.53 H new ATOM 0 HD12 LEU A 56 -15.693 -21.470 -10.598 1.00 62.53 H new ATOM 0 HD13 LEU A 56 -15.323 -22.765 -9.434 1.00 62.53 H new ATOM 0 HD21 LEU A 56 -12.375 -23.077 -10.274 1.00 4.45 H new ATOM 0 HD22 LEU A 56 -13.479 -24.449 -10.018 1.00 4.45 H new ATOM 0 HD23 LEU A 56 -12.624 -24.273 -11.568 1.00 4.45 H new ATOM 866 N ARG A 57 -17.579 -22.114 -12.476 1.00 74.21 N ATOM 867 CA ARG A 57 -18.440 -20.948 -12.321 1.00 51.34 C ATOM 868 C ARG A 57 -17.635 -19.734 -11.866 1.00 24.30 C ATOM 869 O ARG A 57 -16.548 -19.856 -11.301 1.00 22.55 O ATOM 870 CB ARG A 57 -19.555 -21.240 -11.315 1.00 50.25 C ATOM 871 CG ARG A 57 -20.708 -22.039 -11.900 1.00 15.32 C ATOM 872 CD ARG A 57 -21.583 -22.634 -10.808 1.00 33.32 C ATOM 873 NE ARG A 57 -22.504 -23.640 -11.331 1.00 42.14 N ATOM 874 CZ ARG A 57 -23.222 -24.451 -10.562 1.00 44.30 C ATOM 875 NH1 ARG A 57 -23.126 -24.374 -9.242 1.00 20.21 N ATOM 876 NH2 ARG A 57 -24.038 -25.340 -11.113 1.00 64.21 N ATOM 0 H ARG A 57 -17.841 -22.912 -11.897 1.00 74.21 H new ATOM 0 HA ARG A 57 -18.885 -20.725 -13.291 1.00 51.34 H new ATOM 0 HB2 ARG A 57 -19.137 -21.787 -10.470 1.00 50.25 H new ATOM 0 HB3 ARG A 57 -19.938 -20.297 -10.926 1.00 50.25 H new ATOM 0 HG2 ARG A 57 -21.311 -21.395 -12.540 1.00 15.32 H new ATOM 0 HG3 ARG A 57 -20.316 -22.838 -12.530 1.00 15.32 H new ATOM 0 HD2 ARG A 57 -20.951 -23.084 -10.042 1.00 33.32 H new ATOM 0 HD3 ARG A 57 -22.151 -21.839 -10.325 1.00 33.32 H new ATOM 0 HE ARG A 57 -22.601 -23.724 -12.343 1.00 42.14 H new ATOM 0 HH11 ARG A 57 -22.500 -23.691 -8.815 1.00 20.21 H new ATOM 0 HH12 ARG A 57 -23.678 -24.998 -8.653 1.00 20.21 H new ATOM 0 HH21 ARG A 57 -24.115 -25.401 -12.128 1.00 64.21 H new ATOM 0 HH22 ARG A 57 -24.589 -25.962 -10.521 1.00 64.21 H new ATOM 890 N PRO A 58 -18.178 -18.534 -12.118 1.00 34.32 N ATOM 891 CA PRO A 58 -17.528 -17.276 -11.742 1.00 45.31 C ATOM 892 C PRO A 58 -17.510 -17.060 -10.233 1.00 30.13 C ATOM 893 O PRO A 58 -16.473 -16.739 -9.654 1.00 31.13 O ATOM 894 CB PRO A 58 -18.392 -16.212 -12.424 1.00 63.12 C ATOM 895 CG PRO A 58 -19.731 -16.849 -12.571 1.00 5.22 C ATOM 896 CD PRO A 58 -19.471 -18.314 -12.788 1.00 41.21 C ATOM 0 HA PRO A 58 -16.481 -17.253 -12.044 1.00 45.31 H new ATOM 0 HB2 PRO A 58 -18.449 -15.304 -11.824 1.00 63.12 H new ATOM 0 HB3 PRO A 58 -17.980 -15.928 -13.392 1.00 63.12 H new ATOM 0 HG2 PRO A 58 -20.339 -16.688 -11.681 1.00 5.22 H new ATOM 0 HG3 PRO A 58 -20.277 -16.421 -13.412 1.00 5.22 H new ATOM 0 HD2 PRO A 58 -20.258 -18.930 -12.354 1.00 41.21 H new ATOM 0 HD3 PRO A 58 -19.421 -18.560 -13.849 1.00 41.21 H new ATOM 904 N GLY A 59 -18.666 -17.239 -9.600 1.00 61.32 N ATOM 905 CA GLY A 59 -18.761 -17.060 -8.163 1.00 62.32 C ATOM 906 C GLY A 59 -19.316 -18.284 -7.462 1.00 10.01 C ATOM 907 O GLY A 59 -19.750 -18.206 -6.313 1.00 72.44 O ATOM 0 H GLY A 59 -19.538 -17.505 -10.057 1.00 61.32 H new ATOM 0 HA2 GLY A 59 -17.773 -16.832 -7.762 1.00 62.32 H new ATOM 0 HA3 GLY A 59 -19.398 -16.202 -7.948 1.00 62.32 H new ATOM 911 N GLY A 60 -19.304 -19.418 -8.155 1.00 61.44 N ATOM 912 CA GLY A 60 -19.814 -20.647 -7.577 1.00 34.35 C ATOM 913 C GLY A 60 -18.707 -21.586 -7.139 1.00 14.44 C ATOM 914 O GLY A 60 -18.676 -22.749 -7.539 1.00 24.52 O ATOM 0 H GLY A 60 -18.950 -19.507 -9.107 1.00 61.44 H new ATOM 0 HA2 GLY A 60 -20.443 -20.408 -6.720 1.00 34.35 H new ATOM 0 HA3 GLY A 60 -20.447 -21.152 -8.306 1.00 34.35 H new ATOM 918 N PHE A 61 -17.796 -21.079 -6.315 1.00 44.14 N ATOM 919 CA PHE A 61 -16.680 -21.879 -5.825 1.00 24.12 C ATOM 920 C PHE A 61 -16.259 -21.428 -4.429 1.00 34.52 C ATOM 921 O PHE A 61 -16.485 -20.282 -4.042 1.00 30.20 O ATOM 922 CB PHE A 61 -15.492 -21.779 -6.784 1.00 60.13 C ATOM 923 CG PHE A 61 -14.741 -20.483 -6.676 1.00 12.32 C ATOM 924 CD1 PHE A 61 -15.223 -19.335 -7.285 1.00 4.04 C ATOM 925 CD2 PHE A 61 -13.554 -20.412 -5.965 1.00 63.04 C ATOM 926 CE1 PHE A 61 -14.534 -18.140 -7.186 1.00 74.34 C ATOM 927 CE2 PHE A 61 -12.861 -19.220 -5.863 1.00 74.24 C ATOM 928 CZ PHE A 61 -13.352 -18.083 -6.476 1.00 23.33 C ATOM 0 H PHE A 61 -17.809 -20.118 -5.973 1.00 44.14 H new ATOM 0 HA PHE A 61 -17.007 -22.917 -5.770 1.00 24.12 H new ATOM 0 HB2 PHE A 61 -14.807 -22.604 -6.588 1.00 60.13 H new ATOM 0 HB3 PHE A 61 -15.850 -21.898 -7.807 1.00 60.13 H new ATOM 0 HD1 PHE A 61 -16.147 -19.374 -7.843 1.00 4.04 H new ATOM 0 HD2 PHE A 61 -13.166 -21.298 -5.485 1.00 63.04 H new ATOM 0 HE1 PHE A 61 -14.921 -17.252 -7.664 1.00 74.34 H new ATOM 0 HE2 PHE A 61 -11.937 -19.178 -5.305 1.00 74.24 H new ATOM 0 HZ PHE A 61 -12.811 -17.151 -6.400 1.00 23.33 H new ATOM 938 N GLN A 62 -15.648 -22.339 -3.678 1.00 70.45 N ATOM 939 CA GLN A 62 -15.198 -22.036 -2.325 1.00 65.22 C ATOM 940 C GLN A 62 -13.702 -22.294 -2.179 1.00 24.41 C ATOM 941 O GLN A 62 -13.212 -23.371 -2.518 1.00 24.21 O ATOM 942 CB GLN A 62 -15.974 -22.873 -1.307 1.00 64.51 C ATOM 943 CG GLN A 62 -17.006 -22.077 -0.525 1.00 24.21 C ATOM 944 CD GLN A 62 -16.418 -20.841 0.127 1.00 65.22 C ATOM 945 OE1 GLN A 62 -17.003 -19.759 0.074 1.00 32.33 O ATOM 946 NE2 GLN A 62 -15.253 -20.995 0.746 1.00 32.44 N ATOM 0 H GLN A 62 -15.453 -23.292 -3.984 1.00 70.45 H new ATOM 0 HA GLN A 62 -15.386 -20.979 -2.134 1.00 65.22 H new ATOM 0 HB2 GLN A 62 -16.475 -23.690 -1.827 1.00 64.51 H new ATOM 0 HB3 GLN A 62 -15.270 -23.325 -0.608 1.00 64.51 H new ATOM 0 HG2 GLN A 62 -17.814 -21.781 -1.194 1.00 24.21 H new ATOM 0 HG3 GLN A 62 -17.445 -22.714 0.243 1.00 24.21 H new ATOM 0 HE21 GLN A 62 -14.803 -21.910 0.766 1.00 32.44 H new ATOM 0 HE22 GLN A 62 -14.808 -20.198 1.202 1.00 32.44 H new ATOM 955 N ALA A 63 -12.981 -21.299 -1.672 1.00 71.22 N ATOM 956 CA ALA A 63 -11.541 -21.419 -1.480 1.00 33.45 C ATOM 957 C ALA A 63 -11.214 -21.891 -0.067 1.00 30.41 C ATOM 958 O ALA A 63 -11.646 -21.288 0.916 1.00 41.12 O ATOM 959 CB ALA A 63 -10.858 -20.091 -1.766 1.00 2.42 C ATOM 0 H ALA A 63 -13.371 -20.401 -1.387 1.00 71.22 H new ATOM 0 HA ALA A 63 -11.167 -22.165 -2.181 1.00 33.45 H new ATOM 0 HB1 ALA A 63 -9.783 -20.196 -1.619 1.00 2.42 H new ATOM 0 HB2 ALA A 63 -11.056 -19.794 -2.796 1.00 2.42 H new ATOM 0 HB3 ALA A 63 -11.245 -19.330 -1.089 1.00 2.42 H new ATOM 965 N HIS A 64 -10.449 -22.974 0.028 1.00 61.31 N ATOM 966 CA HIS A 64 -10.064 -23.527 1.321 1.00 21.45 C ATOM 967 C HIS A 64 -8.608 -23.202 1.640 1.00 64.03 C ATOM 968 O HIS A 64 -7.726 -23.362 0.795 1.00 74.52 O ATOM 969 CB HIS A 64 -10.275 -25.042 1.336 1.00 51.34 C ATOM 970 CG HIS A 64 -11.711 -25.447 1.207 1.00 71.32 C ATOM 971 ND1 HIS A 64 -12.161 -26.721 1.485 1.00 52.32 N ATOM 972 CD2 HIS A 64 -12.801 -24.739 0.829 1.00 43.13 C ATOM 973 CE1 HIS A 64 -13.465 -26.778 1.281 1.00 33.55 C ATOM 974 NE2 HIS A 64 -13.878 -25.589 0.883 1.00 0.42 N ATOM 0 H HIS A 64 -10.084 -23.486 -0.775 1.00 61.31 H new ATOM 0 HA HIS A 64 -10.695 -23.072 2.084 1.00 21.45 H new ATOM 0 HB2 HIS A 64 -9.705 -25.488 0.521 1.00 51.34 H new ATOM 0 HB3 HIS A 64 -9.873 -25.448 2.265 1.00 51.34 H new ATOM 0 HD2 HIS A 64 -12.820 -23.699 0.539 1.00 43.13 H new ATOM 0 HE1 HIS A 64 -14.088 -27.650 1.417 1.00 33.55 H new ATOM 0 HE2 HIS A 64 -14.841 -25.342 0.653 1.00 0.42 H new ATOM 982 N TYR A 65 -8.363 -22.744 2.862 1.00 5.21 N ATOM 983 CA TYR A 65 -7.014 -22.393 3.291 1.00 42.34 C ATOM 984 C TYR A 65 -6.534 -23.326 4.399 1.00 50.55 C ATOM 985 O TYR A 65 -7.294 -23.679 5.300 1.00 11.13 O ATOM 986 CB TYR A 65 -6.971 -20.943 3.776 1.00 54.34 C ATOM 987 CG TYR A 65 -7.528 -20.753 5.168 1.00 34.44 C ATOM 988 CD1 TYR A 65 -6.711 -20.865 6.286 1.00 2.22 C ATOM 989 CD2 TYR A 65 -8.873 -20.462 5.366 1.00 24.14 C ATOM 990 CE1 TYR A 65 -7.216 -20.693 7.560 1.00 21.55 C ATOM 991 CE2 TYR A 65 -9.386 -20.288 6.637 1.00 10.41 C ATOM 992 CZ TYR A 65 -8.554 -20.405 7.731 1.00 42.22 C ATOM 993 OH TYR A 65 -9.060 -20.232 8.999 1.00 74.05 O ATOM 0 H TYR A 65 -9.081 -22.607 3.574 1.00 5.21 H new ATOM 0 HA TYR A 65 -6.348 -22.503 2.435 1.00 42.34 H new ATOM 0 HB2 TYR A 65 -5.939 -20.593 3.756 1.00 54.34 H new ATOM 0 HB3 TYR A 65 -7.533 -20.319 3.081 1.00 54.34 H new ATOM 0 HD1 TYR A 65 -5.663 -21.090 6.157 1.00 2.22 H new ATOM 0 HD2 TYR A 65 -9.528 -20.370 4.512 1.00 24.14 H new ATOM 0 HE1 TYR A 65 -6.566 -20.784 8.418 1.00 21.55 H new ATOM 0 HE2 TYR A 65 -10.433 -20.062 6.773 1.00 10.41 H new ATOM 0 HH TYR A 65 -9.579 -19.402 9.033 1.00 74.05 H new ATOM 1003 N ARG A 66 -5.267 -23.720 4.324 1.00 52.05 N ATOM 1004 CA ARG A 66 -4.685 -24.612 5.319 1.00 45.03 C ATOM 1005 C ARG A 66 -4.433 -23.873 6.630 1.00 33.41 C ATOM 1006 O ARG A 66 -3.854 -22.788 6.641 1.00 4.14 O ATOM 1007 CB ARG A 66 -3.375 -25.207 4.797 1.00 12.12 C ATOM 1008 CG ARG A 66 -3.574 -26.327 3.789 1.00 51.21 C ATOM 1009 CD ARG A 66 -2.585 -27.460 4.013 1.00 74.20 C ATOM 1010 NE ARG A 66 -1.290 -27.187 3.396 1.00 11.55 N ATOM 1011 CZ ARG A 66 -0.258 -28.021 3.453 1.00 74.33 C ATOM 1012 NH1 ARG A 66 -0.370 -29.177 4.094 1.00 53.44 N ATOM 1013 NH2 ARG A 66 0.888 -27.701 2.866 1.00 22.45 N ATOM 0 H ARG A 66 -4.624 -23.436 3.585 1.00 52.05 H new ATOM 0 HA ARG A 66 -5.394 -25.419 5.507 1.00 45.03 H new ATOM 0 HB2 ARG A 66 -2.784 -24.415 4.336 1.00 12.12 H new ATOM 0 HB3 ARG A 66 -2.797 -25.586 5.640 1.00 12.12 H new ATOM 0 HG2 ARG A 66 -4.592 -26.710 3.865 1.00 51.21 H new ATOM 0 HG3 ARG A 66 -3.456 -25.934 2.779 1.00 51.21 H new ATOM 0 HD2 ARG A 66 -2.451 -27.617 5.083 1.00 74.20 H new ATOM 0 HD3 ARG A 66 -2.994 -28.384 3.604 1.00 74.20 H new ATOM 0 HE ARG A 66 -1.171 -26.307 2.894 1.00 11.55 H new ATOM 0 HH11 ARG A 66 -1.250 -29.427 4.545 1.00 53.44 H new ATOM 0 HH12 ARG A 66 0.424 -29.816 4.136 1.00 53.44 H new ATOM 0 HH21 ARG A 66 0.977 -26.814 2.370 1.00 22.45 H new ATOM 0 HH22 ARG A 66 1.680 -28.342 2.910 1.00 22.45 H new ATOM 1027 N ALA A 67 -4.874 -24.470 7.733 1.00 52.30 N ATOM 1028 CA ALA A 67 -4.696 -23.870 9.049 1.00 0.53 C ATOM 1029 C ALA A 67 -3.472 -24.445 9.754 1.00 34.40 C ATOM 1030 O ALA A 67 -2.722 -25.229 9.173 1.00 51.51 O ATOM 1031 CB ALA A 67 -5.942 -24.077 9.897 1.00 32.11 C ATOM 0 H ALA A 67 -5.357 -25.368 7.741 1.00 52.30 H new ATOM 0 HA ALA A 67 -4.536 -22.800 8.914 1.00 0.53 H new ATOM 0 HB1 ALA A 67 -5.794 -23.624 10.877 1.00 32.11 H new ATOM 0 HB2 ALA A 67 -6.797 -23.612 9.407 1.00 32.11 H new ATOM 0 HB3 ALA A 67 -6.128 -25.144 10.015 1.00 32.11 H new ATOM 1037 N GLU A 68 -3.278 -24.051 11.009 1.00 63.33 N ATOM 1038 CA GLU A 68 -2.143 -24.528 11.791 1.00 34.21 C ATOM 1039 C GLU A 68 -2.119 -26.053 11.840 1.00 64.24 C ATOM 1040 O GLU A 68 -1.061 -26.663 12.000 1.00 0.54 O ATOM 1041 CB GLU A 68 -2.202 -23.963 13.212 1.00 45.33 C ATOM 1042 CG GLU A 68 -3.303 -24.570 14.064 1.00 54.32 C ATOM 1043 CD GLU A 68 -2.786 -25.626 15.021 1.00 60.35 C ATOM 1044 OE1 GLU A 68 -2.322 -25.255 16.119 1.00 42.11 O ATOM 1045 OE2 GLU A 68 -2.845 -26.824 14.671 1.00 2.33 O ATOM 0 H GLU A 68 -3.891 -23.404 11.505 1.00 63.33 H new ATOM 0 HA GLU A 68 -1.230 -24.182 11.307 1.00 34.21 H new ATOM 0 HB2 GLU A 68 -1.242 -24.131 13.701 1.00 45.33 H new ATOM 0 HB3 GLU A 68 -2.348 -22.884 13.159 1.00 45.33 H new ATOM 0 HG2 GLU A 68 -3.795 -23.780 14.632 1.00 54.32 H new ATOM 0 HG3 GLU A 68 -4.058 -25.013 13.414 1.00 54.32 H new ATOM 1052 N ARG A 69 -3.291 -26.663 11.700 1.00 52.12 N ATOM 1053 CA ARG A 69 -3.405 -28.116 11.729 1.00 30.14 C ATOM 1054 C ARG A 69 -3.178 -28.708 10.341 1.00 11.52 C ATOM 1055 O ARG A 69 -2.764 -29.858 10.206 1.00 75.24 O ATOM 1056 CB ARG A 69 -4.781 -28.531 12.253 1.00 12.43 C ATOM 1057 CG ARG A 69 -4.823 -28.738 13.758 1.00 23.24 C ATOM 1058 CD ARG A 69 -6.003 -29.604 14.169 1.00 73.31 C ATOM 1059 NE ARG A 69 -6.315 -29.468 15.589 1.00 4.23 N ATOM 1060 CZ ARG A 69 -7.468 -29.846 16.129 1.00 71.35 C ATOM 1061 NH1 ARG A 69 -8.414 -30.382 15.370 1.00 72.22 N ATOM 1062 NH2 ARG A 69 -7.677 -29.690 17.430 1.00 43.45 N ATOM 0 H ARG A 69 -4.176 -26.173 11.565 1.00 52.12 H new ATOM 0 HA ARG A 69 -2.637 -28.501 12.399 1.00 30.14 H new ATOM 0 HB2 ARG A 69 -5.510 -27.768 11.979 1.00 12.43 H new ATOM 0 HB3 ARG A 69 -5.085 -29.454 11.759 1.00 12.43 H new ATOM 0 HG2 ARG A 69 -3.895 -29.205 14.088 1.00 23.24 H new ATOM 0 HG3 ARG A 69 -4.888 -27.771 14.258 1.00 23.24 H new ATOM 0 HD2 ARG A 69 -6.877 -29.329 13.578 1.00 73.31 H new ATOM 0 HD3 ARG A 69 -5.782 -30.648 13.945 1.00 73.31 H new ATOM 0 HE ARG A 69 -5.608 -29.060 16.200 1.00 4.23 H new ATOM 0 HH11 ARG A 69 -8.257 -30.505 14.370 1.00 72.22 H new ATOM 0 HH12 ARG A 69 -9.299 -30.672 15.786 1.00 72.22 H new ATOM 0 HH21 ARG A 69 -6.951 -29.279 18.017 1.00 43.45 H new ATOM 0 HH22 ARG A 69 -8.563 -29.981 17.843 1.00 43.45 H new ATOM 1076 N GLY A 70 -3.453 -27.912 9.312 1.00 4.51 N ATOM 1077 CA GLY A 70 -3.273 -28.374 7.948 1.00 0.22 C ATOM 1078 C GLY A 70 -4.591 -28.645 7.250 1.00 63.22 C ATOM 1079 O GLY A 70 -4.654 -28.679 6.021 1.00 70.22 O ATOM 0 H GLY A 70 -3.797 -26.956 9.399 1.00 4.51 H new ATOM 0 HA2 GLY A 70 -2.714 -27.626 7.385 1.00 0.22 H new ATOM 0 HA3 GLY A 70 -2.673 -29.284 7.952 1.00 0.22 H new ATOM 1083 N ASP A 71 -5.645 -28.840 8.034 1.00 22.32 N ATOM 1084 CA ASP A 71 -6.968 -29.111 7.484 1.00 42.03 C ATOM 1085 C ASP A 71 -7.417 -27.978 6.567 1.00 52.51 C ATOM 1086 O ASP A 71 -6.803 -26.910 6.535 1.00 73.12 O ATOM 1087 CB ASP A 71 -7.983 -29.305 8.611 1.00 0.42 C ATOM 1088 CG ASP A 71 -7.828 -30.643 9.306 1.00 74.11 C ATOM 1089 OD1 ASP A 71 -7.166 -31.534 8.735 1.00 73.51 O ATOM 1090 OD2 ASP A 71 -8.370 -30.800 10.420 1.00 13.34 O ATOM 0 H ASP A 71 -5.609 -28.815 9.053 1.00 22.32 H new ATOM 0 HA ASP A 71 -6.910 -30.028 6.897 1.00 42.03 H new ATOM 0 HB2 ASP A 71 -7.868 -28.504 9.341 1.00 0.42 H new ATOM 0 HB3 ASP A 71 -8.992 -29.224 8.206 1.00 0.42 H new ATOM 1095 N LEU A 72 -8.491 -28.216 5.822 1.00 21.41 N ATOM 1096 CA LEU A 72 -9.023 -27.216 4.903 1.00 4.01 C ATOM 1097 C LEU A 72 -10.171 -26.444 5.544 1.00 12.40 C ATOM 1098 O LEU A 72 -11.071 -27.032 6.143 1.00 32.42 O ATOM 1099 CB LEU A 72 -9.500 -27.883 3.612 1.00 65.31 C ATOM 1100 CG LEU A 72 -8.414 -28.214 2.587 1.00 52.13 C ATOM 1101 CD1 LEU A 72 -9.015 -28.924 1.384 1.00 62.52 C ATOM 1102 CD2 LEU A 72 -7.687 -26.949 2.153 1.00 31.33 C ATOM 0 H LEU A 72 -9.011 -29.094 5.836 1.00 21.41 H new ATOM 0 HA LEU A 72 -8.224 -26.513 4.667 1.00 4.01 H new ATOM 0 HB2 LEU A 72 -10.018 -28.806 3.873 1.00 65.31 H new ATOM 0 HB3 LEU A 72 -10.232 -27.229 3.138 1.00 65.31 H new ATOM 0 HG LEU A 72 -7.691 -28.883 3.055 1.00 52.13 H new ATOM 0 HD11 LEU A 72 -8.228 -29.152 0.665 1.00 62.52 H new ATOM 0 HD12 LEU A 72 -9.490 -29.850 1.708 1.00 62.52 H new ATOM 0 HD13 LEU A 72 -9.759 -28.280 0.915 1.00 62.52 H new ATOM 0 HD21 LEU A 72 -6.918 -27.203 1.424 1.00 31.33 H new ATOM 0 HD22 LEU A 72 -8.399 -26.256 1.703 1.00 31.33 H new ATOM 0 HD23 LEU A 72 -7.223 -26.480 3.021 1.00 31.33 H new ATOM 1114 N VAL A 73 -10.135 -25.121 5.412 1.00 60.41 N ATOM 1115 CA VAL A 73 -11.174 -24.268 5.975 1.00 34.11 C ATOM 1116 C VAL A 73 -11.726 -23.309 4.926 1.00 33.23 C ATOM 1117 O VAL A 73 -11.111 -22.289 4.618 1.00 64.32 O ATOM 1118 CB VAL A 73 -10.646 -23.454 7.171 1.00 24.31 C ATOM 1119 CG1 VAL A 73 -11.732 -22.542 7.718 1.00 13.55 C ATOM 1120 CG2 VAL A 73 -10.121 -24.382 8.256 1.00 21.42 C ATOM 0 H VAL A 73 -9.397 -24.618 4.920 1.00 60.41 H new ATOM 0 HA VAL A 73 -11.972 -24.926 6.318 1.00 34.11 H new ATOM 0 HB VAL A 73 -9.821 -22.830 6.827 1.00 24.31 H new ATOM 0 HG11 VAL A 73 -11.340 -21.975 8.562 1.00 13.55 H new ATOM 0 HG12 VAL A 73 -12.056 -21.853 6.938 1.00 13.55 H new ATOM 0 HG13 VAL A 73 -12.580 -23.143 8.047 1.00 13.55 H new ATOM 0 HG21 VAL A 73 -9.752 -23.790 9.094 1.00 21.42 H new ATOM 0 HG22 VAL A 73 -10.925 -25.033 8.598 1.00 21.42 H new ATOM 0 HG23 VAL A 73 -9.309 -24.989 7.855 1.00 21.42 H new ATOM 1130 N ALA A 74 -12.892 -23.644 4.382 1.00 45.44 N ATOM 1131 CA ALA A 74 -13.528 -22.811 3.369 1.00 53.12 C ATOM 1132 C ALA A 74 -13.765 -21.397 3.890 1.00 61.34 C ATOM 1133 O ALA A 74 -14.659 -21.167 4.704 1.00 10.50 O ATOM 1134 CB ALA A 74 -14.841 -23.437 2.920 1.00 44.41 C ATOM 0 H ALA A 74 -13.414 -24.485 4.626 1.00 45.44 H new ATOM 0 HA ALA A 74 -12.857 -22.747 2.513 1.00 53.12 H new ATOM 0 HB1 ALA A 74 -15.306 -22.805 2.163 1.00 44.41 H new ATOM 0 HB2 ALA A 74 -14.648 -24.424 2.500 1.00 44.41 H new ATOM 0 HB3 ALA A 74 -15.510 -23.531 3.775 1.00 44.41 H new ATOM 1140 N PHE A 75 -12.958 -20.454 3.415 1.00 22.24 N ATOM 1141 CA PHE A 75 -13.078 -19.063 3.835 1.00 54.22 C ATOM 1142 C PHE A 75 -13.918 -18.266 2.841 1.00 51.13 C ATOM 1143 O PHE A 75 -13.960 -18.584 1.652 1.00 0.42 O ATOM 1144 CB PHE A 75 -11.693 -18.428 3.974 1.00 53.11 C ATOM 1145 CG PHE A 75 -11.025 -18.154 2.657 1.00 3.42 C ATOM 1146 CD1 PHE A 75 -11.248 -16.962 1.987 1.00 41.22 C ATOM 1147 CD2 PHE A 75 -10.173 -19.088 2.090 1.00 53.14 C ATOM 1148 CE1 PHE A 75 -10.634 -16.706 0.775 1.00 1.01 C ATOM 1149 CE2 PHE A 75 -9.556 -18.838 0.879 1.00 53.55 C ATOM 1150 CZ PHE A 75 -9.788 -17.646 0.220 1.00 42.31 C ATOM 0 H PHE A 75 -12.214 -20.628 2.739 1.00 22.24 H new ATOM 0 HA PHE A 75 -13.577 -19.044 4.804 1.00 54.22 H new ATOM 0 HB2 PHE A 75 -11.784 -17.493 4.528 1.00 53.11 H new ATOM 0 HB3 PHE A 75 -11.057 -19.087 4.565 1.00 53.11 H new ATOM 0 HD1 PHE A 75 -11.909 -16.224 2.417 1.00 41.22 H new ATOM 0 HD2 PHE A 75 -9.989 -20.022 2.600 1.00 53.14 H new ATOM 0 HE1 PHE A 75 -10.816 -15.773 0.263 1.00 1.01 H new ATOM 0 HE2 PHE A 75 -8.893 -19.574 0.448 1.00 53.55 H new ATOM 0 HZ PHE A 75 -9.309 -17.450 -0.728 1.00 42.31 H new ATOM 1160 N SER A 76 -14.586 -17.229 3.337 1.00 61.24 N ATOM 1161 CA SER A 76 -15.428 -16.389 2.494 1.00 54.31 C ATOM 1162 C SER A 76 -15.728 -15.059 3.180 1.00 73.24 C ATOM 1163 O SER A 76 -16.750 -14.427 2.912 1.00 1.23 O ATOM 1164 CB SER A 76 -16.736 -17.111 2.162 1.00 2.40 C ATOM 1165 OG SER A 76 -17.727 -16.845 3.139 1.00 32.12 O ATOM 0 H SER A 76 -14.560 -16.951 4.318 1.00 61.24 H new ATOM 0 HA SER A 76 -14.888 -16.188 1.569 1.00 54.31 H new ATOM 0 HB2 SER A 76 -17.092 -16.793 1.182 1.00 2.40 H new ATOM 0 HB3 SER A 76 -16.558 -18.185 2.103 1.00 2.40 H new ATOM 0 HG SER A 76 -17.984 -15.900 3.096 1.00 32.12 H new ATOM 1171 N SER A 77 -14.830 -14.642 4.065 1.00 4.45 N ATOM 1172 CA SER A 77 -14.998 -13.389 4.793 1.00 35.44 C ATOM 1173 C SER A 77 -13.655 -12.696 5.001 1.00 73.05 C ATOM 1174 O SER A 77 -12.632 -13.349 5.204 1.00 61.40 O ATOM 1175 CB SER A 77 -15.666 -13.647 6.146 1.00 52.05 C ATOM 1176 OG SER A 77 -16.545 -14.757 6.077 1.00 3.23 O ATOM 0 H SER A 77 -13.978 -15.153 4.296 1.00 4.45 H new ATOM 0 HA SER A 77 -15.636 -12.735 4.198 1.00 35.44 H new ATOM 0 HB2 SER A 77 -14.903 -13.830 6.903 1.00 52.05 H new ATOM 0 HB3 SER A 77 -16.218 -12.760 6.457 1.00 52.05 H new ATOM 0 HG SER A 77 -16.958 -14.902 6.954 1.00 3.23 H new ATOM 1182 N ASP A 78 -13.668 -11.369 4.947 1.00 4.21 N ATOM 1183 CA ASP A 78 -12.451 -10.585 5.130 1.00 55.13 C ATOM 1184 C ASP A 78 -11.724 -11.000 6.405 1.00 42.14 C ATOM 1185 O ASP A 78 -10.514 -11.224 6.394 1.00 20.25 O ATOM 1186 CB ASP A 78 -12.784 -9.093 5.180 1.00 43.20 C ATOM 1187 CG ASP A 78 -13.830 -8.768 6.228 1.00 41.42 C ATOM 1188 OD1 ASP A 78 -13.449 -8.532 7.393 1.00 24.02 O ATOM 1189 OD2 ASP A 78 -15.030 -8.749 5.883 1.00 72.53 O ATOM 0 H ASP A 78 -14.507 -10.813 4.778 1.00 4.21 H new ATOM 0 HA ASP A 78 -11.794 -10.775 4.281 1.00 55.13 H new ATOM 0 HB2 ASP A 78 -11.876 -8.528 5.390 1.00 43.20 H new ATOM 0 HB3 ASP A 78 -13.141 -8.770 4.202 1.00 43.20 H new ATOM 1194 N GLU A 79 -12.470 -11.099 7.500 1.00 1.35 N ATOM 1195 CA GLU A 79 -11.894 -11.485 8.783 1.00 13.34 C ATOM 1196 C GLU A 79 -11.156 -12.815 8.670 1.00 23.31 C ATOM 1197 O GLU A 79 -10.223 -13.085 9.426 1.00 34.14 O ATOM 1198 CB GLU A 79 -12.988 -11.585 9.849 1.00 71.23 C ATOM 1199 CG GLU A 79 -14.121 -12.525 9.472 1.00 64.25 C ATOM 1200 CD GLU A 79 -15.355 -11.788 8.989 1.00 45.13 C ATOM 1201 OE1 GLU A 79 -15.213 -10.643 8.511 1.00 13.24 O ATOM 1202 OE2 GLU A 79 -16.462 -12.357 9.088 1.00 2.02 O ATOM 0 H GLU A 79 -13.473 -10.918 7.525 1.00 1.35 H new ATOM 0 HA GLU A 79 -11.179 -10.717 9.077 1.00 13.34 H new ATOM 0 HB2 GLU A 79 -12.542 -11.924 10.784 1.00 71.23 H new ATOM 0 HB3 GLU A 79 -13.397 -10.591 10.032 1.00 71.23 H new ATOM 0 HG2 GLU A 79 -13.780 -13.205 8.691 1.00 64.25 H new ATOM 0 HG3 GLU A 79 -14.383 -13.137 10.335 1.00 64.25 H new ATOM 1209 N GLU A 80 -11.581 -13.642 7.720 1.00 22.30 N ATOM 1210 CA GLU A 80 -10.961 -14.945 7.509 1.00 63.12 C ATOM 1211 C GLU A 80 -9.665 -14.809 6.714 1.00 53.42 C ATOM 1212 O GLU A 80 -8.741 -15.608 6.868 1.00 34.44 O ATOM 1213 CB GLU A 80 -11.925 -15.881 6.777 1.00 40.01 C ATOM 1214 CG GLU A 80 -11.711 -17.350 7.101 1.00 42.02 C ATOM 1215 CD GLU A 80 -11.791 -17.637 8.588 1.00 63.24 C ATOM 1216 OE1 GLU A 80 -12.912 -17.860 9.090 1.00 61.40 O ATOM 1217 OE2 GLU A 80 -10.731 -17.639 9.249 1.00 70.04 O ATOM 0 H GLU A 80 -12.351 -13.433 7.085 1.00 22.30 H new ATOM 0 HA GLU A 80 -10.725 -15.369 8.485 1.00 63.12 H new ATOM 0 HB2 GLU A 80 -12.949 -15.607 7.032 1.00 40.01 H new ATOM 0 HB3 GLU A 80 -11.814 -15.735 5.703 1.00 40.01 H new ATOM 0 HG2 GLU A 80 -12.459 -17.946 6.579 1.00 42.02 H new ATOM 0 HG3 GLU A 80 -10.736 -17.663 6.726 1.00 42.02 H new ATOM 1224 N LEU A 81 -9.605 -13.791 5.862 1.00 14.34 N ATOM 1225 CA LEU A 81 -8.424 -13.548 5.042 1.00 61.44 C ATOM 1226 C LEU A 81 -7.299 -12.939 5.873 1.00 53.04 C ATOM 1227 O LEU A 81 -6.172 -13.435 5.872 1.00 72.42 O ATOM 1228 CB LEU A 81 -8.771 -12.622 3.875 1.00 64.24 C ATOM 1229 CG LEU A 81 -9.390 -13.292 2.647 1.00 12.25 C ATOM 1230 CD1 LEU A 81 -8.471 -14.378 2.111 1.00 43.34 C ATOM 1231 CD2 LEU A 81 -10.757 -13.868 2.987 1.00 11.23 C ATOM 0 H LEU A 81 -10.361 -13.121 5.721 1.00 14.34 H new ATOM 0 HA LEU A 81 -8.082 -14.505 4.649 1.00 61.44 H new ATOM 0 HB2 LEU A 81 -9.462 -11.860 4.235 1.00 64.24 H new ATOM 0 HB3 LEU A 81 -7.862 -12.107 3.564 1.00 64.24 H new ATOM 0 HG LEU A 81 -9.518 -12.537 1.871 1.00 12.25 H new ATOM 0 HD11 LEU A 81 -8.928 -14.843 1.238 1.00 43.34 H new ATOM 0 HD12 LEU A 81 -7.514 -13.938 1.829 1.00 43.34 H new ATOM 0 HD13 LEU A 81 -8.311 -15.132 2.882 1.00 43.34 H new ATOM 0 HD21 LEU A 81 -11.183 -14.341 2.102 1.00 11.23 H new ATOM 0 HD22 LEU A 81 -10.653 -14.609 3.780 1.00 11.23 H new ATOM 0 HD23 LEU A 81 -11.416 -13.067 3.323 1.00 11.23 H new ATOM 1243 N THR A 82 -7.613 -11.860 6.584 1.00 72.34 N ATOM 1244 CA THR A 82 -6.630 -11.184 7.420 1.00 13.41 C ATOM 1245 C THR A 82 -5.933 -12.166 8.354 1.00 35.22 C ATOM 1246 O THR A 82 -4.775 -11.973 8.720 1.00 24.45 O ATOM 1247 CB THR A 82 -7.280 -10.068 8.260 1.00 52.54 C ATOM 1248 OG1 THR A 82 -6.268 -9.219 8.814 1.00 55.04 O ATOM 1249 CG2 THR A 82 -8.125 -10.655 9.380 1.00 74.34 C ATOM 0 H THR A 82 -8.541 -11.436 6.597 1.00 72.34 H new ATOM 0 HA THR A 82 -5.894 -10.742 6.748 1.00 13.41 H new ATOM 0 HB THR A 82 -7.927 -9.483 7.607 1.00 52.54 H new ATOM 0 HG1 THR A 82 -6.689 -8.511 9.345 1.00 55.04 H new ATOM 0 HG21 THR A 82 -8.573 -9.848 9.959 1.00 74.34 H new ATOM 0 HG22 THR A 82 -8.912 -11.277 8.954 1.00 74.34 H new ATOM 0 HG23 THR A 82 -7.496 -11.262 10.031 1.00 74.34 H new ATOM 1257 N MET A 83 -6.647 -13.220 8.736 1.00 72.42 N ATOM 1258 CA MET A 83 -6.095 -14.235 9.626 1.00 13.34 C ATOM 1259 C MET A 83 -5.266 -15.250 8.846 1.00 1.14 C ATOM 1260 O MET A 83 -4.223 -15.705 9.315 1.00 0.54 O ATOM 1261 CB MET A 83 -7.219 -14.948 10.380 1.00 32.32 C ATOM 1262 CG MET A 83 -6.827 -15.388 11.782 1.00 54.14 C ATOM 1263 SD MET A 83 -7.305 -14.192 13.044 1.00 74.32 S ATOM 1264 CE MET A 83 -9.021 -14.639 13.301 1.00 43.01 C ATOM 0 H MET A 83 -7.609 -13.393 8.443 1.00 72.42 H new ATOM 0 HA MET A 83 -5.444 -13.737 10.345 1.00 13.34 H new ATOM 0 HB2 MET A 83 -8.081 -14.284 10.444 1.00 32.32 H new ATOM 0 HB3 MET A 83 -7.532 -15.822 9.808 1.00 32.32 H new ATOM 0 HG2 MET A 83 -7.294 -16.348 12.001 1.00 54.14 H new ATOM 0 HG3 MET A 83 -5.749 -15.542 11.822 1.00 54.14 H new ATOM 0 HE1 MET A 83 -9.458 -13.987 14.057 1.00 43.01 H new ATOM 0 HE2 MET A 83 -9.570 -14.529 12.366 1.00 43.01 H new ATOM 0 HE3 MET A 83 -9.081 -15.674 13.637 1.00 43.01 H new ATOM 1274 N ALA A 84 -5.737 -15.601 7.654 1.00 23.13 N ATOM 1275 CA ALA A 84 -5.037 -16.561 6.809 1.00 34.03 C ATOM 1276 C ALA A 84 -3.626 -16.082 6.485 1.00 14.35 C ATOM 1277 O ALA A 84 -2.688 -16.876 6.433 1.00 1.10 O ATOM 1278 CB ALA A 84 -5.821 -16.805 5.528 1.00 21.51 C ATOM 0 H ALA A 84 -6.600 -15.235 7.252 1.00 23.13 H new ATOM 0 HA ALA A 84 -4.956 -17.499 7.358 1.00 34.03 H new ATOM 0 HB1 ALA A 84 -5.287 -17.524 4.906 1.00 21.51 H new ATOM 0 HB2 ALA A 84 -6.807 -17.200 5.774 1.00 21.51 H new ATOM 0 HB3 ALA A 84 -5.931 -15.867 4.985 1.00 21.51 H new ATOM 1284 N MET A 85 -3.485 -14.778 6.268 1.00 24.24 N ATOM 1285 CA MET A 85 -2.187 -14.194 5.950 1.00 50.30 C ATOM 1286 C MET A 85 -1.282 -14.179 7.177 1.00 4.55 C ATOM 1287 O MET A 85 -0.057 -14.135 7.057 1.00 74.41 O ATOM 1288 CB MET A 85 -2.362 -12.772 5.413 1.00 11.33 C ATOM 1289 CG MET A 85 -3.261 -12.690 4.190 1.00 64.21 C ATOM 1290 SD MET A 85 -3.129 -11.108 3.336 1.00 40.23 S ATOM 1291 CE MET A 85 -2.729 -11.651 1.676 1.00 13.04 C ATOM 0 H MET A 85 -4.252 -14.107 6.306 1.00 24.24 H new ATOM 0 HA MET A 85 -1.718 -14.809 5.183 1.00 50.30 H new ATOM 0 HB2 MET A 85 -2.776 -12.143 6.201 1.00 11.33 H new ATOM 0 HB3 MET A 85 -1.383 -12.364 5.162 1.00 11.33 H new ATOM 0 HG2 MET A 85 -3.003 -13.494 3.500 1.00 64.21 H new ATOM 0 HG3 MET A 85 -4.296 -12.850 4.493 1.00 64.21 H new ATOM 0 HE1 MET A 85 -2.563 -10.782 1.039 1.00 13.04 H new ATOM 0 HE2 MET A 85 -1.826 -12.261 1.700 1.00 13.04 H new ATOM 0 HE3 MET A 85 -3.554 -12.241 1.277 1.00 13.04 H new ATOM 1301 N SER A 86 -1.892 -14.214 8.358 1.00 43.01 N ATOM 1302 CA SER A 86 -1.140 -14.200 9.607 1.00 33.15 C ATOM 1303 C SER A 86 -0.286 -15.457 9.742 1.00 75.31 C ATOM 1304 O SER A 86 0.707 -15.472 10.469 1.00 43.43 O ATOM 1305 CB SER A 86 -2.093 -14.087 10.799 1.00 72.20 C ATOM 1306 OG SER A 86 -3.100 -13.119 10.557 1.00 23.41 O ATOM 0 H SER A 86 -2.904 -14.252 8.476 1.00 43.01 H new ATOM 0 HA SER A 86 -0.479 -13.333 9.595 1.00 33.15 H new ATOM 0 HB2 SER A 86 -2.554 -15.055 10.993 1.00 72.20 H new ATOM 0 HB3 SER A 86 -1.531 -13.816 11.693 1.00 72.20 H new ATOM 0 HG SER A 86 -3.598 -12.951 11.384 1.00 23.41 H new ATOM 1312 N TYR A 87 -0.682 -16.511 9.036 1.00 25.13 N ATOM 1313 CA TYR A 87 0.045 -17.775 9.078 1.00 51.42 C ATOM 1314 C TYR A 87 1.322 -17.696 8.247 1.00 24.15 C ATOM 1315 O TYR A 87 2.408 -18.030 8.723 1.00 33.12 O ATOM 1316 CB TYR A 87 -0.840 -18.913 8.566 1.00 1.32 C ATOM 1317 CG TYR A 87 -2.035 -19.194 9.449 1.00 63.50 C ATOM 1318 CD1 TYR A 87 -3.202 -18.451 9.329 1.00 54.11 C ATOM 1319 CD2 TYR A 87 -1.996 -20.203 10.404 1.00 62.14 C ATOM 1320 CE1 TYR A 87 -4.296 -18.704 10.134 1.00 74.13 C ATOM 1321 CE2 TYR A 87 -3.085 -20.464 11.212 1.00 73.45 C ATOM 1322 CZ TYR A 87 -4.233 -19.712 11.073 1.00 31.10 C ATOM 1323 OH TYR A 87 -5.320 -19.968 11.877 1.00 71.30 O ATOM 0 H TYR A 87 -1.501 -16.515 8.429 1.00 25.13 H new ATOM 0 HA TYR A 87 0.319 -17.974 10.114 1.00 51.42 H new ATOM 0 HB2 TYR A 87 -1.189 -18.667 7.563 1.00 1.32 H new ATOM 0 HB3 TYR A 87 -0.240 -19.819 8.482 1.00 1.32 H new ATOM 0 HD1 TYR A 87 -3.255 -17.662 8.594 1.00 54.11 H new ATOM 0 HD2 TYR A 87 -1.098 -20.793 10.516 1.00 62.14 H new ATOM 0 HE1 TYR A 87 -5.195 -18.116 10.028 1.00 74.13 H new ATOM 0 HE2 TYR A 87 -3.038 -21.252 11.949 1.00 73.45 H new ATOM 0 HH TYR A 87 -5.111 -20.709 12.483 1.00 71.30 H new ATOM 1333 N VAL A 88 1.185 -17.251 7.002 1.00 32.15 N ATOM 1334 CA VAL A 88 2.327 -17.126 6.105 1.00 72.03 C ATOM 1335 C VAL A 88 3.153 -15.888 6.435 1.00 13.02 C ATOM 1336 O VAL A 88 2.622 -14.781 6.531 1.00 62.11 O ATOM 1337 CB VAL A 88 1.878 -17.053 4.633 1.00 44.40 C ATOM 1338 CG1 VAL A 88 0.960 -15.860 4.413 1.00 30.23 C ATOM 1339 CG2 VAL A 88 3.086 -16.983 3.711 1.00 5.42 C ATOM 0 H VAL A 88 0.294 -16.971 6.592 1.00 32.15 H new ATOM 0 HA VAL A 88 2.940 -18.016 6.247 1.00 72.03 H new ATOM 0 HB VAL A 88 1.320 -17.959 4.396 1.00 44.40 H new ATOM 0 HG11 VAL A 88 0.653 -15.825 3.368 1.00 30.23 H new ATOM 0 HG12 VAL A 88 0.079 -15.957 5.047 1.00 30.23 H new ATOM 0 HG13 VAL A 88 1.490 -14.942 4.667 1.00 30.23 H new ATOM 0 HG21 VAL A 88 2.751 -16.932 2.675 1.00 5.42 H new ATOM 0 HG22 VAL A 88 3.673 -16.095 3.947 1.00 5.42 H new ATOM 0 HG23 VAL A 88 3.702 -17.872 3.850 1.00 5.42 H new ATOM 1349 N LYS A 89 4.456 -16.082 6.609 1.00 53.24 N ATOM 1350 CA LYS A 89 5.358 -14.981 6.927 1.00 72.41 C ATOM 1351 C LYS A 89 5.871 -14.313 5.655 1.00 14.03 C ATOM 1352 O LYS A 89 6.216 -13.131 5.660 1.00 62.41 O ATOM 1353 CB LYS A 89 6.537 -15.486 7.761 1.00 20.53 C ATOM 1354 CG LYS A 89 6.233 -15.586 9.246 1.00 30.21 C ATOM 1355 CD LYS A 89 6.169 -14.214 9.896 1.00 53.15 C ATOM 1356 CE LYS A 89 7.556 -13.617 10.075 1.00 40.41 C ATOM 1357 NZ LYS A 89 8.180 -14.039 11.359 1.00 30.13 N ATOM 0 H LYS A 89 4.911 -16.992 6.535 1.00 53.24 H new ATOM 0 HA LYS A 89 4.801 -14.243 7.505 1.00 72.41 H new ATOM 0 HB2 LYS A 89 6.837 -16.467 7.393 1.00 20.53 H new ATOM 0 HB3 LYS A 89 7.386 -14.818 7.617 1.00 20.53 H new ATOM 0 HG2 LYS A 89 5.284 -16.102 9.390 1.00 30.21 H new ATOM 0 HG3 LYS A 89 7.000 -16.186 9.736 1.00 30.21 H new ATOM 0 HD2 LYS A 89 5.561 -13.548 9.283 1.00 53.15 H new ATOM 0 HD3 LYS A 89 5.677 -14.292 10.866 1.00 53.15 H new ATOM 0 HE2 LYS A 89 8.193 -13.922 9.244 1.00 40.41 H new ATOM 0 HE3 LYS A 89 7.490 -12.529 10.043 1.00 40.41 H new ATOM 0 HZ1 LYS A 89 9.124 -13.611 11.443 1.00 30.13 H new ATOM 0 HZ2 LYS A 89 7.586 -13.726 12.153 1.00 30.13 H new ATOM 0 HZ3 LYS A 89 8.267 -15.075 11.379 1.00 30.13 H new ATOM 1371 N ASP A 90 5.916 -15.076 4.569 1.00 52.44 N ATOM 1372 CA ASP A 90 6.384 -14.556 3.289 1.00 72.22 C ATOM 1373 C ASP A 90 5.268 -13.810 2.564 1.00 33.31 C ATOM 1374 O ASP A 90 4.184 -13.610 3.112 1.00 12.24 O ATOM 1375 CB ASP A 90 6.906 -15.695 2.412 1.00 71.41 C ATOM 1376 CG ASP A 90 7.753 -16.683 3.190 1.00 62.13 C ATOM 1377 OD1 ASP A 90 8.950 -16.398 3.403 1.00 20.31 O ATOM 1378 OD2 ASP A 90 7.220 -17.741 3.584 1.00 33.33 O ATOM 0 H ASP A 90 5.634 -16.056 4.549 1.00 52.44 H new ATOM 0 HA ASP A 90 7.197 -13.856 3.485 1.00 72.22 H new ATOM 0 HB2 ASP A 90 6.063 -16.219 1.962 1.00 71.41 H new ATOM 0 HB3 ASP A 90 7.496 -15.280 1.595 1.00 71.41 H new ATOM 1383 N ASP A 91 5.541 -13.401 1.330 1.00 32.22 N ATOM 1384 CA ASP A 91 4.560 -12.677 0.530 1.00 71.20 C ATOM 1385 C ASP A 91 3.841 -13.619 -0.431 1.00 41.22 C ATOM 1386 O ASP A 91 3.346 -13.195 -1.476 1.00 62.42 O ATOM 1387 CB ASP A 91 5.239 -11.551 -0.252 1.00 33.34 C ATOM 1388 CG ASP A 91 6.459 -12.029 -1.014 1.00 31.52 C ATOM 1389 OD1 ASP A 91 6.546 -13.244 -1.293 1.00 51.35 O ATOM 1390 OD2 ASP A 91 7.326 -11.189 -1.331 1.00 63.43 O ATOM 0 H ASP A 91 6.433 -13.558 0.862 1.00 32.22 H new ATOM 0 HA ASP A 91 3.823 -12.245 1.207 1.00 71.20 H new ATOM 0 HB2 ASP A 91 4.525 -11.116 -0.951 1.00 33.34 H new ATOM 0 HB3 ASP A 91 5.532 -10.759 0.437 1.00 33.34 H new ATOM 1395 N ILE A 92 3.789 -14.897 -0.071 1.00 52.30 N ATOM 1396 CA ILE A 92 3.131 -15.898 -0.902 1.00 12.44 C ATOM 1397 C ILE A 92 1.951 -16.529 -0.171 1.00 13.14 C ATOM 1398 O ILE A 92 2.124 -17.204 0.844 1.00 65.40 O ATOM 1399 CB ILE A 92 4.110 -17.008 -1.327 1.00 53.45 C ATOM 1400 CG1 ILE A 92 5.294 -16.409 -2.090 1.00 13.24 C ATOM 1401 CG2 ILE A 92 3.395 -18.046 -2.179 1.00 40.03 C ATOM 1402 CD1 ILE A 92 6.308 -17.438 -2.536 1.00 20.41 C ATOM 0 H ILE A 92 4.194 -15.264 0.790 1.00 52.30 H new ATOM 0 HA ILE A 92 2.771 -15.382 -1.792 1.00 12.44 H new ATOM 0 HB ILE A 92 4.490 -17.500 -0.432 1.00 53.45 H new ATOM 0 HG12 ILE A 92 4.920 -15.876 -2.964 1.00 13.24 H new ATOM 0 HG13 ILE A 92 5.789 -15.673 -1.456 1.00 13.24 H new ATOM 0 HG21 ILE A 92 4.100 -18.824 -2.472 1.00 40.03 H new ATOM 0 HG22 ILE A 92 2.582 -18.490 -1.605 1.00 40.03 H new ATOM 0 HG23 ILE A 92 2.991 -17.568 -3.071 1.00 40.03 H new ATOM 0 HD11 ILE A 92 7.119 -16.942 -3.070 1.00 20.41 H new ATOM 0 HD12 ILE A 92 6.710 -17.954 -1.664 1.00 20.41 H new ATOM 0 HD13 ILE A 92 5.827 -18.160 -3.196 1.00 20.41 H new ATOM 1414 N PHE A 93 0.750 -16.306 -0.694 1.00 13.22 N ATOM 1415 CA PHE A 93 -0.460 -16.854 -0.092 1.00 12.52 C ATOM 1416 C PHE A 93 -1.007 -18.010 -0.924 1.00 44.33 C ATOM 1417 O PHE A 93 -1.528 -17.807 -2.021 1.00 44.11 O ATOM 1418 CB PHE A 93 -1.525 -15.763 0.048 1.00 65.13 C ATOM 1419 CG PHE A 93 -2.784 -16.237 0.716 1.00 42.53 C ATOM 1420 CD1 PHE A 93 -2.726 -17.011 1.863 1.00 31.10 C ATOM 1421 CD2 PHE A 93 -4.025 -15.907 0.196 1.00 73.32 C ATOM 1422 CE1 PHE A 93 -3.883 -17.448 2.480 1.00 20.14 C ATOM 1423 CE2 PHE A 93 -5.185 -16.341 0.809 1.00 34.01 C ATOM 1424 CZ PHE A 93 -5.114 -17.113 1.952 1.00 72.40 C ATOM 0 H PHE A 93 0.589 -15.750 -1.533 1.00 13.22 H new ATOM 0 HA PHE A 93 -0.204 -17.232 0.898 1.00 12.52 H new ATOM 0 HB2 PHE A 93 -1.110 -14.933 0.620 1.00 65.13 H new ATOM 0 HB3 PHE A 93 -1.771 -15.377 -0.941 1.00 65.13 H new ATOM 0 HD1 PHE A 93 -1.766 -17.276 2.280 1.00 31.10 H new ATOM 0 HD2 PHE A 93 -4.087 -15.304 -0.698 1.00 73.32 H new ATOM 0 HE1 PHE A 93 -3.824 -18.051 3.374 1.00 20.14 H new ATOM 0 HE2 PHE A 93 -6.147 -16.077 0.394 1.00 34.01 H new ATOM 0 HZ PHE A 93 -6.020 -17.454 2.432 1.00 72.40 H new ATOM 1434 N ARG A 94 -0.883 -19.222 -0.395 1.00 22.41 N ATOM 1435 CA ARG A 94 -1.362 -20.412 -1.089 1.00 11.41 C ATOM 1436 C ARG A 94 -2.753 -20.803 -0.599 1.00 72.32 C ATOM 1437 O ARG A 94 -3.060 -20.684 0.587 1.00 34.53 O ATOM 1438 CB ARG A 94 -0.391 -21.575 -0.882 1.00 64.11 C ATOM 1439 CG ARG A 94 1.068 -21.191 -1.068 1.00 42.14 C ATOM 1440 CD ARG A 94 1.983 -22.399 -0.940 1.00 40.15 C ATOM 1441 NE ARG A 94 3.362 -22.082 -1.304 1.00 74.31 N ATOM 1442 CZ ARG A 94 4.214 -21.469 -0.490 1.00 71.14 C ATOM 1443 NH1 ARG A 94 3.831 -21.109 0.727 1.00 41.33 N ATOM 1444 NH2 ARG A 94 5.452 -21.216 -0.894 1.00 4.43 N ATOM 0 H ARG A 94 -0.455 -19.407 0.512 1.00 22.41 H new ATOM 0 HA ARG A 94 -1.421 -20.183 -2.153 1.00 11.41 H new ATOM 0 HB2 ARG A 94 -0.527 -21.976 0.122 1.00 64.11 H new ATOM 0 HB3 ARG A 94 -0.640 -22.374 -1.581 1.00 64.11 H new ATOM 0 HG2 ARG A 94 1.203 -20.733 -2.048 1.00 42.14 H new ATOM 0 HG3 ARG A 94 1.346 -20.443 -0.326 1.00 42.14 H new ATOM 0 HD2 ARG A 94 1.954 -22.768 0.085 1.00 40.15 H new ATOM 0 HD3 ARG A 94 1.615 -23.202 -1.579 1.00 40.15 H new ATOM 0 HE ARG A 94 3.688 -22.346 -2.234 1.00 74.31 H new ATOM 0 HH11 ARG A 94 2.880 -21.303 1.040 1.00 41.33 H new ATOM 0 HH12 ARG A 94 4.487 -20.638 1.350 1.00 41.33 H new ATOM 0 HH21 ARG A 94 5.750 -21.492 -1.830 1.00 4.43 H new ATOM 0 HH22 ARG A 94 6.106 -20.745 -0.269 1.00 4.43 H new ATOM 1458 N ILE A 95 -3.589 -21.270 -1.520 1.00 55.55 N ATOM 1459 CA ILE A 95 -4.947 -21.679 -1.182 1.00 41.11 C ATOM 1460 C ILE A 95 -5.452 -22.753 -2.140 1.00 12.51 C ATOM 1461 O ILE A 95 -4.906 -22.935 -3.228 1.00 72.13 O ATOM 1462 CB ILE A 95 -5.918 -20.484 -1.209 1.00 74.23 C ATOM 1463 CG1 ILE A 95 -5.770 -19.708 -2.519 1.00 51.15 C ATOM 1464 CG2 ILE A 95 -5.671 -19.573 -0.016 1.00 41.15 C ATOM 1465 CD1 ILE A 95 -6.899 -18.735 -2.776 1.00 53.25 C ATOM 0 H ILE A 95 -3.350 -21.375 -2.506 1.00 55.55 H new ATOM 0 HA ILE A 95 -4.912 -22.085 -0.171 1.00 41.11 H new ATOM 0 HB ILE A 95 -6.938 -20.863 -1.146 1.00 74.23 H new ATOM 0 HG12 ILE A 95 -4.827 -19.162 -2.504 1.00 51.15 H new ATOM 0 HG13 ILE A 95 -5.715 -20.415 -3.347 1.00 51.15 H new ATOM 0 HG21 ILE A 95 -6.365 -18.733 -0.050 1.00 41.15 H new ATOM 0 HG22 ILE A 95 -5.823 -20.133 0.907 1.00 41.15 H new ATOM 0 HG23 ILE A 95 -4.648 -19.199 -0.049 1.00 41.15 H new ATOM 0 HD11 ILE A 95 -6.728 -18.221 -3.722 1.00 53.25 H new ATOM 0 HD12 ILE A 95 -7.843 -19.278 -2.824 1.00 53.25 H new ATOM 0 HD13 ILE A 95 -6.941 -18.005 -1.968 1.00 53.25 H new ATOM 1477 N TYR A 96 -6.499 -23.459 -1.728 1.00 61.24 N ATOM 1478 CA TYR A 96 -7.078 -24.516 -2.549 1.00 54.45 C ATOM 1479 C TYR A 96 -8.441 -24.097 -3.094 1.00 23.10 C ATOM 1480 O TYR A 96 -9.400 -23.937 -2.339 1.00 54.33 O ATOM 1481 CB TYR A 96 -7.215 -25.804 -1.737 1.00 73.52 C ATOM 1482 CG TYR A 96 -5.890 -26.407 -1.330 1.00 21.30 C ATOM 1483 CD1 TYR A 96 -5.104 -25.811 -0.351 1.00 72.05 C ATOM 1484 CD2 TYR A 96 -5.424 -27.574 -1.923 1.00 63.13 C ATOM 1485 CE1 TYR A 96 -3.892 -26.358 0.023 1.00 73.00 C ATOM 1486 CE2 TYR A 96 -4.214 -28.129 -1.554 1.00 64.11 C ATOM 1487 CZ TYR A 96 -3.451 -27.517 -0.581 1.00 34.11 C ATOM 1488 OH TYR A 96 -2.245 -28.066 -0.210 1.00 14.14 O ATOM 0 H TYR A 96 -6.964 -23.319 -0.831 1.00 61.24 H new ATOM 0 HA TYR A 96 -6.409 -24.695 -3.391 1.00 54.45 H new ATOM 0 HB2 TYR A 96 -7.801 -25.598 -0.841 1.00 73.52 H new ATOM 0 HB3 TYR A 96 -7.773 -26.535 -2.322 1.00 73.52 H new ATOM 0 HD1 TYR A 96 -5.447 -24.904 0.126 1.00 72.05 H new ATOM 0 HD2 TYR A 96 -6.018 -28.056 -2.686 1.00 63.13 H new ATOM 0 HE1 TYR A 96 -3.293 -25.881 0.784 1.00 73.00 H new ATOM 0 HE2 TYR A 96 -3.867 -29.037 -2.025 1.00 64.11 H new ATOM 0 HH TYR A 96 -2.083 -28.881 -0.730 1.00 14.14 H new ATOM 1498 N ILE A 97 -8.517 -23.923 -4.409 1.00 3.30 N ATOM 1499 CA ILE A 97 -9.761 -23.525 -5.056 1.00 1.13 C ATOM 1500 C ILE A 97 -10.595 -24.743 -5.440 1.00 4.51 C ATOM 1501 O ILE A 97 -10.083 -25.703 -6.015 1.00 63.21 O ATOM 1502 CB ILE A 97 -9.495 -22.680 -6.316 1.00 33.21 C ATOM 1503 CG1 ILE A 97 -8.483 -21.574 -6.011 1.00 62.41 C ATOM 1504 CG2 ILE A 97 -10.795 -22.087 -6.839 1.00 43.41 C ATOM 1505 CD1 ILE A 97 -8.900 -20.670 -4.873 1.00 21.15 C ATOM 0 H ILE A 97 -7.732 -24.051 -5.047 1.00 3.30 H new ATOM 0 HA ILE A 97 -10.313 -22.922 -4.335 1.00 1.13 H new ATOM 0 HB ILE A 97 -9.076 -23.326 -7.088 1.00 33.21 H new ATOM 0 HG12 ILE A 97 -7.522 -22.029 -5.770 1.00 62.41 H new ATOM 0 HG13 ILE A 97 -8.335 -20.971 -6.907 1.00 62.41 H new ATOM 0 HG21 ILE A 97 -10.591 -21.492 -7.730 1.00 43.41 H new ATOM 0 HG22 ILE A 97 -11.487 -22.891 -7.090 1.00 43.41 H new ATOM 0 HG23 ILE A 97 -11.240 -21.452 -6.073 1.00 43.41 H new ATOM 0 HD11 ILE A 97 -8.135 -19.910 -4.713 1.00 21.15 H new ATOM 0 HD12 ILE A 97 -9.845 -20.187 -5.120 1.00 21.15 H new ATOM 0 HD13 ILE A 97 -9.020 -21.260 -3.965 1.00 21.15 H new ATOM 1517 N LYS A 98 -11.883 -24.695 -5.120 1.00 33.24 N ATOM 1518 CA LYS A 98 -12.791 -25.792 -5.433 1.00 61.43 C ATOM 1519 C LYS A 98 -14.140 -25.263 -5.909 1.00 70.41 C ATOM 1520 O LYS A 98 -14.769 -24.447 -5.236 1.00 64.32 O ATOM 1521 CB LYS A 98 -12.986 -26.687 -4.207 1.00 4.11 C ATOM 1522 CG LYS A 98 -12.040 -27.875 -4.164 1.00 41.31 C ATOM 1523 CD LYS A 98 -12.612 -29.014 -3.337 1.00 12.53 C ATOM 1524 CE LYS A 98 -11.979 -30.345 -3.708 1.00 64.52 C ATOM 1525 NZ LYS A 98 -12.910 -31.485 -3.482 1.00 73.03 N ATOM 0 H LYS A 98 -12.322 -23.907 -4.644 1.00 33.24 H new ATOM 0 HA LYS A 98 -12.347 -26.379 -6.237 1.00 61.43 H new ATOM 0 HB2 LYS A 98 -12.847 -26.090 -3.306 1.00 4.11 H new ATOM 0 HB3 LYS A 98 -14.013 -27.051 -4.193 1.00 4.11 H new ATOM 0 HG2 LYS A 98 -11.845 -28.223 -5.178 1.00 41.31 H new ATOM 0 HG3 LYS A 98 -11.083 -27.564 -3.744 1.00 41.31 H new ATOM 0 HD2 LYS A 98 -12.447 -28.814 -2.278 1.00 12.53 H new ATOM 0 HD3 LYS A 98 -13.690 -29.068 -3.487 1.00 12.53 H new ATOM 0 HE2 LYS A 98 -11.678 -30.324 -4.755 1.00 64.52 H new ATOM 0 HE3 LYS A 98 -11.074 -30.493 -3.119 1.00 64.52 H new ATOM 0 HZ1 LYS A 98 -12.441 -32.374 -3.747 1.00 73.03 H new ATOM 0 HZ2 LYS A 98 -13.178 -31.521 -2.478 1.00 73.03 H new ATOM 0 HZ3 LYS A 98 -13.763 -31.357 -4.063 1.00 73.03 H new ATOM 1539 N GLU A 99 -14.579 -25.735 -7.072 1.00 21.10 N ATOM 1540 CA GLU A 99 -15.854 -25.309 -7.636 1.00 53.10 C ATOM 1541 C GLU A 99 -17.018 -26.017 -6.947 1.00 45.42 C ATOM 1542 O GLU A 99 -16.989 -27.231 -6.745 1.00 51.15 O ATOM 1543 CB GLU A 99 -15.891 -25.589 -9.140 1.00 11.21 C ATOM 1544 CG GLU A 99 -15.552 -27.026 -9.500 1.00 54.51 C ATOM 1545 CD GLU A 99 -16.669 -27.715 -10.260 1.00 20.24 C ATOM 1546 OE1 GLU A 99 -17.124 -27.157 -11.280 1.00 70.43 O ATOM 1547 OE2 GLU A 99 -17.088 -28.812 -9.834 1.00 2.21 O ATOM 0 H GLU A 99 -14.071 -26.412 -7.641 1.00 21.10 H new ATOM 0 HA GLU A 99 -15.955 -24.236 -7.471 1.00 53.10 H new ATOM 0 HB2 GLU A 99 -16.885 -25.353 -9.521 1.00 11.21 H new ATOM 0 HB3 GLU A 99 -15.190 -24.922 -9.643 1.00 11.21 H new ATOM 0 HG2 GLU A 99 -14.644 -27.041 -10.103 1.00 54.51 H new ATOM 0 HG3 GLU A 99 -15.339 -27.585 -8.589 1.00 54.51 H new ATOM 1554 N LYS A 100 -18.040 -25.248 -6.588 1.00 33.54 N ATOM 1555 CA LYS A 100 -19.215 -25.799 -5.922 1.00 23.41 C ATOM 1556 C LYS A 100 -19.983 -26.729 -6.855 1.00 71.45 C ATOM 1557 O LYS A 100 -20.539 -26.292 -7.863 1.00 72.33 O ATOM 1558 CB LYS A 100 -20.130 -24.671 -5.442 1.00 34.24 C ATOM 1559 CG LYS A 100 -19.501 -23.788 -4.378 1.00 30.31 C ATOM 1560 CD LYS A 100 -20.547 -23.225 -3.431 1.00 1.33 C ATOM 1561 CE LYS A 100 -21.551 -22.350 -4.166 1.00 1.14 C ATOM 1562 NZ LYS A 100 -22.122 -21.297 -3.280 1.00 70.35 N ATOM 0 H LYS A 100 -18.079 -24.241 -6.747 1.00 33.54 H new ATOM 0 HA LYS A 100 -18.877 -26.375 -5.061 1.00 23.41 H new ATOM 0 HB2 LYS A 100 -20.410 -24.054 -6.296 1.00 34.24 H new ATOM 0 HB3 LYS A 100 -21.049 -25.104 -5.046 1.00 34.24 H new ATOM 0 HG2 LYS A 100 -18.769 -24.364 -3.812 1.00 30.31 H new ATOM 0 HG3 LYS A 100 -18.962 -22.969 -4.855 1.00 30.31 H new ATOM 0 HD2 LYS A 100 -21.070 -24.044 -2.936 1.00 1.33 H new ATOM 0 HD3 LYS A 100 -20.057 -22.642 -2.651 1.00 1.33 H new ATOM 0 HE2 LYS A 100 -21.066 -21.881 -5.022 1.00 1.14 H new ATOM 0 HE3 LYS A 100 -22.356 -22.971 -4.557 1.00 1.14 H new ATOM 0 HZ1 LYS A 100 -22.802 -20.722 -3.818 1.00 70.35 H new ATOM 0 HZ2 LYS A 100 -22.607 -21.745 -2.476 1.00 70.35 H new ATOM 0 HZ3 LYS A 100 -21.357 -20.688 -2.927 1.00 70.35 H new