USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 835 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 135 HIS : no HD1:sc= 0 X(o=0.97,f=0.93) USER MOD Set 1.2: A 136 SER OG : rot -117:sc= 0.974 USER MOD Set 2.1: A 123 TYR OH : rot -133:sc= 2.03 USER MOD Set 2.2: A 138 LYS NZ :NH3+ 162:sc= 0.922 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -112:sc= -0.196 (180deg=-1.43!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -79:sc= 1.21 USER MOD Single : A 34 LYS NZ :NH3+ -153:sc= 1.22 (180deg=0.999) USER MOD Single : A 35 SER OG : rot 180:sc= 0.121 USER MOD Single : A 38 SER OG : rot 34:sc= 0.152 USER MOD Single : A 40 ASN : amide:sc= 0.736 K(o=0.74,f=-6!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HE2:sc= 1.19 K(o=1.2,f=-4!) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 HIS : no HE2:sc= -2.23! K(o=-2.2!,f=0.12) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.496 K(o=-0.5,f=-7.8!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.208 K(o=-0.21,f=-0.87) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.103 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.639 K(o=-0.64,f=0) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 167:sc= -0.0322 (180deg=-0.225) USER MOD Single : A 99 TYR OH : rot 25:sc= 2.21 USER MOD Single : A 100 LYS NZ :NH3+ 167:sc= 1.2 (180deg=0.814) USER MOD Single : A 104 LYS NZ :NH3+ -106:sc= 0.665 (180deg=-1.54!) USER MOD Single : A 105 SER OG : rot 131:sc= 0.651 USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot -107:sc= -0.132! USER MOD Single : A 132 CYS SG : rot -64:sc= 0.701 USER MOD Single : A 141 MET CE :methyl 144:sc= -0.166 (180deg=-1.38) USER MOD Single : A 142 SER OG : rot -45:sc= 0.382 USER MOD Single : A 143 LYS NZ :NH3+ 176:sc= 1.27 (180deg=1.2) USER MOD ----------------------------------------------------------------- ATOM 60 N ASP A 18 -16.418 12.079 12.183 1.00 11.23 N ATOM 61 CA ASP A 18 -15.410 11.374 12.939 1.00 23.41 C ATOM 62 C ASP A 18 -15.925 10.020 13.390 1.00 53.10 C ATOM 63 O ASP A 18 -15.179 9.026 13.420 1.00 3.05 O ATOM 64 CB ASP A 18 -14.976 12.205 14.128 1.00 73.31 C ATOM 65 CG ASP A 18 -13.755 11.646 14.804 1.00 42.23 C ATOM 66 OD1 ASP A 18 -12.636 11.788 14.252 1.00 63.33 O ATOM 67 OD2 ASP A 18 -13.868 11.060 15.881 1.00 31.43 O ATOM 0 HA ASP A 18 -14.546 11.208 12.296 1.00 23.41 H new ATOM 0 HB2 ASP A 18 -14.772 13.224 13.800 1.00 73.31 H new ATOM 0 HB3 ASP A 18 -15.793 12.259 14.847 1.00 73.31 H new ATOM 72 N LEU A 19 -17.211 9.975 13.707 1.00 63.01 N ATOM 73 CA LEU A 19 -17.884 8.757 14.121 1.00 31.32 C ATOM 74 C LEU A 19 -17.951 7.795 12.928 1.00 73.34 C ATOM 75 O LEU A 19 -17.758 6.583 13.071 1.00 34.44 O ATOM 76 CB LEU A 19 -19.300 9.124 14.676 1.00 64.15 C ATOM 77 CG LEU A 19 -20.184 8.008 15.314 1.00 24.02 C ATOM 78 CD1 LEU A 19 -20.783 7.071 14.273 1.00 52.43 C ATOM 79 CD2 LEU A 19 -19.391 7.218 16.350 1.00 63.23 C ATOM 0 H LEU A 19 -17.821 10.792 13.683 1.00 63.01 H new ATOM 0 HA LEU A 19 -17.337 8.254 14.919 1.00 31.32 H new ATOM 0 HB2 LEU A 19 -19.166 9.904 15.426 1.00 64.15 H new ATOM 0 HB3 LEU A 19 -19.869 9.564 13.857 1.00 64.15 H new ATOM 0 HG LEU A 19 -21.016 8.509 15.809 1.00 24.02 H new ATOM 0 HD11 LEU A 19 -21.389 6.314 14.771 1.00 52.43 H new ATOM 0 HD12 LEU A 19 -21.408 7.642 13.586 1.00 52.43 H new ATOM 0 HD13 LEU A 19 -19.981 6.586 13.716 1.00 52.43 H new ATOM 0 HD21 LEU A 19 -20.026 6.445 16.782 1.00 63.23 H new ATOM 0 HD22 LEU A 19 -18.529 6.753 15.871 1.00 63.23 H new ATOM 0 HD23 LEU A 19 -19.050 7.890 17.138 1.00 63.23 H new ATOM 91 N ASP A 20 -18.160 8.363 11.763 1.00 63.15 N ATOM 92 CA ASP A 20 -18.273 7.615 10.512 1.00 60.11 C ATOM 93 C ASP A 20 -16.960 6.982 10.176 1.00 61.23 C ATOM 94 O ASP A 20 -16.872 5.767 10.031 1.00 3.34 O ATOM 95 CB ASP A 20 -18.744 8.548 9.377 1.00 43.03 C ATOM 96 CG ASP A 20 -18.783 7.919 7.993 1.00 52.42 C ATOM 97 OD1 ASP A 20 -19.615 7.025 7.744 1.00 42.53 O ATOM 98 OD2 ASP A 20 -18.035 8.380 7.103 1.00 62.40 O ATOM 0 H ASP A 20 -18.259 9.371 11.646 1.00 63.15 H new ATOM 0 HA ASP A 20 -19.014 6.825 10.631 1.00 60.11 H new ATOM 0 HB2 ASP A 20 -19.742 8.914 9.620 1.00 43.03 H new ATOM 0 HB3 ASP A 20 -18.085 9.416 9.345 1.00 43.03 H new ATOM 103 N VAL A 21 -15.919 7.791 10.143 1.00 61.50 N ATOM 104 CA VAL A 21 -14.612 7.291 9.798 1.00 42.13 C ATOM 105 C VAL A 21 -14.059 6.305 10.857 1.00 63.31 C ATOM 106 O VAL A 21 -13.365 5.351 10.509 1.00 65.51 O ATOM 107 CB VAL A 21 -13.600 8.432 9.497 1.00 25.05 C ATOM 108 CG1 VAL A 21 -13.315 9.262 10.717 1.00 42.04 C ATOM 109 CG2 VAL A 21 -12.316 7.895 8.894 1.00 55.12 C ATOM 0 H VAL A 21 -15.956 8.789 10.350 1.00 61.50 H new ATOM 0 HA VAL A 21 -14.740 6.728 8.874 1.00 42.13 H new ATOM 0 HB VAL A 21 -14.068 9.083 8.758 1.00 25.05 H new ATOM 0 HG11 VAL A 21 -12.603 10.048 10.464 1.00 42.04 H new ATOM 0 HG12 VAL A 21 -14.241 9.712 11.075 1.00 42.04 H new ATOM 0 HG13 VAL A 21 -12.894 8.629 11.498 1.00 42.04 H new ATOM 0 HG21 VAL A 21 -11.633 8.721 8.697 1.00 55.12 H new ATOM 0 HG22 VAL A 21 -11.851 7.198 9.591 1.00 55.12 H new ATOM 0 HG23 VAL A 21 -12.540 7.379 7.960 1.00 55.12 H new ATOM 119 N LYS A 22 -14.388 6.504 12.144 1.00 63.00 N ATOM 120 CA LYS A 22 -13.896 5.571 13.154 1.00 1.22 C ATOM 121 C LYS A 22 -14.670 4.259 13.075 1.00 54.03 C ATOM 122 O LYS A 22 -14.107 3.184 13.297 1.00 44.04 O ATOM 123 CB LYS A 22 -13.943 6.144 14.592 1.00 30.34 C ATOM 124 CG LYS A 22 -15.335 6.281 15.184 1.00 12.32 C ATOM 125 CD LYS A 22 -15.352 6.777 16.639 1.00 14.22 C ATOM 126 CE LYS A 22 -14.968 8.253 16.796 1.00 33.32 C ATOM 127 NZ LYS A 22 -13.520 8.532 16.656 1.00 14.32 N ATOM 0 H LYS A 22 -14.966 7.268 12.493 1.00 63.00 H new ATOM 0 HA LYS A 22 -12.844 5.392 12.931 1.00 1.22 H new ATOM 0 HB2 LYS A 22 -13.350 5.501 15.242 1.00 30.34 H new ATOM 0 HB3 LYS A 22 -13.467 7.124 14.592 1.00 30.34 H new ATOM 0 HG2 LYS A 22 -15.913 6.971 14.569 1.00 12.32 H new ATOM 0 HG3 LYS A 22 -15.836 5.314 15.135 1.00 12.32 H new ATOM 0 HD2 LYS A 22 -16.349 6.625 17.053 1.00 14.22 H new ATOM 0 HD3 LYS A 22 -14.666 6.168 17.228 1.00 14.22 H new ATOM 0 HE2 LYS A 22 -15.511 8.837 16.053 1.00 33.32 H new ATOM 0 HE3 LYS A 22 -15.298 8.598 17.776 1.00 33.32 H new ATOM 0 HZ1 LYS A 22 -13.134 8.831 17.574 1.00 14.32 H new ATOM 0 HZ2 LYS A 22 -13.030 7.672 16.338 1.00 14.32 H new ATOM 0 HZ3 LYS A 22 -13.378 9.290 15.958 1.00 14.32 H new ATOM 141 N GLY A 23 -15.953 4.353 12.731 1.00 32.15 N ATOM 142 CA GLY A 23 -16.774 3.175 12.609 1.00 4.53 C ATOM 143 C GLY A 23 -16.371 2.374 11.411 1.00 11.43 C ATOM 144 O GLY A 23 -16.282 1.147 11.471 1.00 41.03 O ATOM 0 H GLY A 23 -16.434 5.231 12.535 1.00 32.15 H new ATOM 0 HA2 GLY A 23 -16.682 2.566 13.508 1.00 4.53 H new ATOM 0 HA3 GLY A 23 -17.822 3.463 12.525 1.00 4.53 H new ATOM 148 N LEU A 24 -16.098 3.082 10.333 1.00 32.42 N ATOM 149 CA LEU A 24 -15.660 2.512 9.098 1.00 53.01 C ATOM 150 C LEU A 24 -14.298 1.872 9.285 1.00 32.25 C ATOM 151 O LEU A 24 -14.099 0.707 8.937 1.00 10.41 O ATOM 152 CB LEU A 24 -15.565 3.623 8.059 1.00 71.20 C ATOM 153 CG LEU A 24 -15.103 3.211 6.689 1.00 14.13 C ATOM 154 CD1 LEU A 24 -16.183 2.434 5.973 1.00 23.14 C ATOM 155 CD2 LEU A 24 -14.628 4.400 5.876 1.00 42.41 C ATOM 0 H LEU A 24 -16.181 4.098 10.303 1.00 32.42 H new ATOM 0 HA LEU A 24 -16.366 1.750 8.768 1.00 53.01 H new ATOM 0 HB2 LEU A 24 -16.546 4.089 7.964 1.00 71.20 H new ATOM 0 HB3 LEU A 24 -14.884 4.387 8.435 1.00 71.20 H new ATOM 0 HG LEU A 24 -14.243 2.552 6.809 1.00 14.13 H new ATOM 0 HD11 LEU A 24 -15.828 2.145 4.984 1.00 23.14 H new ATOM 0 HD12 LEU A 24 -16.428 1.540 6.546 1.00 23.14 H new ATOM 0 HD13 LEU A 24 -17.073 3.056 5.872 1.00 23.14 H new ATOM 0 HD21 LEU A 24 -14.302 4.061 4.892 1.00 42.41 H new ATOM 0 HD22 LEU A 24 -15.445 5.113 5.762 1.00 42.41 H new ATOM 0 HD23 LEU A 24 -13.795 4.882 6.388 1.00 42.41 H new ATOM 167 N GLY A 25 -13.378 2.638 9.858 1.00 61.15 N ATOM 168 CA GLY A 25 -12.037 2.170 10.087 1.00 55.32 C ATOM 169 C GLY A 25 -12.002 0.950 10.961 1.00 53.20 C ATOM 170 O GLY A 25 -11.285 -0.002 10.671 1.00 33.42 O ATOM 0 H GLY A 25 -13.549 3.593 10.172 1.00 61.15 H new ATOM 0 HA2 GLY A 25 -11.565 1.943 9.131 1.00 55.32 H new ATOM 0 HA3 GLY A 25 -11.452 2.964 10.551 1.00 55.32 H new ATOM 174 N TYR A 26 -12.806 0.945 12.003 1.00 34.02 N ATOM 175 CA TYR A 26 -12.827 -0.180 12.891 1.00 75.53 C ATOM 176 C TYR A 26 -13.539 -1.375 12.265 1.00 44.45 C ATOM 177 O TYR A 26 -13.151 -2.502 12.508 1.00 45.02 O ATOM 178 CB TYR A 26 -13.405 0.173 14.263 1.00 1.25 C ATOM 179 CG TYR A 26 -13.306 -0.963 15.254 1.00 4.03 C ATOM 180 CD1 TYR A 26 -14.437 -1.526 15.821 1.00 52.30 C ATOM 181 CD2 TYR A 26 -12.067 -1.493 15.597 1.00 54.11 C ATOM 182 CE1 TYR A 26 -14.335 -2.583 16.704 1.00 44.14 C ATOM 183 CE2 TYR A 26 -11.959 -2.543 16.477 1.00 22.15 C ATOM 184 CZ TYR A 26 -13.092 -3.084 17.028 1.00 34.11 C ATOM 185 OH TYR A 26 -12.986 -4.147 17.901 1.00 41.13 O ATOM 0 H TYR A 26 -13.444 1.702 12.248 1.00 34.02 H new ATOM 0 HA TYR A 26 -11.790 -0.470 13.058 1.00 75.53 H new ATOM 0 HB2 TYR A 26 -12.880 1.041 14.660 1.00 1.25 H new ATOM 0 HB3 TYR A 26 -14.451 0.458 14.148 1.00 1.25 H new ATOM 0 HD1 TYR A 26 -15.411 -1.134 15.570 1.00 52.30 H new ATOM 0 HD2 TYR A 26 -11.172 -1.071 15.163 1.00 54.11 H new ATOM 0 HE1 TYR A 26 -15.224 -3.015 17.139 1.00 44.14 H new ATOM 0 HE2 TYR A 26 -10.988 -2.940 16.733 1.00 22.15 H new ATOM 0 HH TYR A 26 -12.041 -4.378 18.022 1.00 41.13 H new ATOM 195 N ASP A 27 -14.551 -1.130 11.425 1.00 41.42 N ATOM 196 CA ASP A 27 -15.241 -2.239 10.736 1.00 51.55 C ATOM 197 C ASP A 27 -14.259 -2.948 9.838 1.00 64.22 C ATOM 198 O ASP A 27 -14.165 -4.177 9.839 1.00 0.41 O ATOM 199 CB ASP A 27 -16.448 -1.754 9.915 1.00 20.34 C ATOM 200 CG ASP A 27 -17.171 -2.887 9.181 1.00 20.22 C ATOM 201 OD1 ASP A 27 -17.999 -3.601 9.815 1.00 13.22 O ATOM 202 OD2 ASP A 27 -16.970 -3.059 7.967 1.00 23.23 O ATOM 0 H ASP A 27 -14.908 -0.200 11.206 1.00 41.42 H new ATOM 0 HA ASP A 27 -15.623 -2.922 11.495 1.00 51.55 H new ATOM 0 HB2 ASP A 27 -17.152 -1.251 10.578 1.00 20.34 H new ATOM 0 HB3 ASP A 27 -16.112 -1.015 9.188 1.00 20.34 H new ATOM 207 N PHE A 28 -13.491 -2.142 9.142 1.00 62.40 N ATOM 208 CA PHE A 28 -12.435 -2.577 8.266 1.00 50.31 C ATOM 209 C PHE A 28 -11.362 -3.327 9.059 1.00 55.05 C ATOM 210 O PHE A 28 -11.037 -4.459 8.748 1.00 2.23 O ATOM 211 CB PHE A 28 -11.874 -1.325 7.582 1.00 0.14 C ATOM 212 CG PHE A 28 -10.573 -1.453 6.856 1.00 0.54 C ATOM 213 CD1 PHE A 28 -10.514 -1.742 5.497 1.00 13.20 C ATOM 214 CD2 PHE A 28 -9.398 -1.209 7.531 1.00 70.50 C ATOM 215 CE1 PHE A 28 -9.301 -1.780 4.846 1.00 63.21 C ATOM 216 CE2 PHE A 28 -8.201 -1.260 6.891 1.00 54.21 C ATOM 217 CZ PHE A 28 -8.147 -1.541 5.541 1.00 23.24 C ATOM 0 H PHE A 28 -13.591 -1.127 9.174 1.00 62.40 H new ATOM 0 HA PHE A 28 -12.804 -3.273 7.513 1.00 50.31 H new ATOM 0 HB2 PHE A 28 -12.620 -0.968 6.872 1.00 0.14 H new ATOM 0 HB3 PHE A 28 -11.760 -0.551 8.341 1.00 0.14 H new ATOM 0 HD1 PHE A 28 -11.424 -1.938 4.949 1.00 13.20 H new ATOM 0 HD2 PHE A 28 -9.429 -0.974 8.585 1.00 70.50 H new ATOM 0 HE1 PHE A 28 -9.261 -1.998 3.789 1.00 63.21 H new ATOM 0 HE2 PHE A 28 -7.289 -1.080 7.440 1.00 54.21 H new ATOM 0 HZ PHE A 28 -7.194 -1.572 5.033 1.00 23.24 H new ATOM 227 N ILE A 29 -10.854 -2.702 10.097 1.00 1.03 N ATOM 228 CA ILE A 29 -9.816 -3.295 10.929 1.00 24.45 C ATOM 229 C ILE A 29 -10.265 -4.581 11.592 1.00 63.41 C ATOM 230 O ILE A 29 -9.505 -5.561 11.629 1.00 44.34 O ATOM 231 CB ILE A 29 -9.234 -2.271 11.951 1.00 12.55 C ATOM 232 CG1 ILE A 29 -8.304 -1.276 11.248 1.00 73.21 C ATOM 233 CG2 ILE A 29 -8.535 -2.932 13.145 1.00 22.20 C ATOM 234 CD1 ILE A 29 -7.160 -1.934 10.506 1.00 63.04 C ATOM 0 H ILE A 29 -11.144 -1.770 10.393 1.00 1.03 H new ATOM 0 HA ILE A 29 -9.001 -3.571 10.260 1.00 24.45 H new ATOM 0 HB ILE A 29 -10.085 -1.730 12.365 1.00 12.55 H new ATOM 0 HG12 ILE A 29 -8.887 -0.681 10.545 1.00 73.21 H new ATOM 0 HG13 ILE A 29 -7.897 -0.587 11.988 1.00 73.21 H new ATOM 0 HG21 ILE A 29 -8.154 -2.162 13.816 1.00 22.20 H new ATOM 0 HG22 ILE A 29 -9.246 -3.560 13.681 1.00 22.20 H new ATOM 0 HG23 ILE A 29 -7.707 -3.544 12.788 1.00 22.20 H new ATOM 0 HD11 ILE A 29 -6.544 -1.168 10.034 1.00 63.04 H new ATOM 0 HD12 ILE A 29 -6.553 -2.506 11.207 1.00 63.04 H new ATOM 0 HD13 ILE A 29 -7.558 -2.602 9.742 1.00 63.04 H new ATOM 246 N ASP A 30 -11.487 -4.613 12.061 1.00 42.13 N ATOM 247 CA ASP A 30 -12.005 -5.811 12.674 1.00 3.01 C ATOM 248 C ASP A 30 -12.154 -6.890 11.650 1.00 24.55 C ATOM 249 O ASP A 30 -11.762 -8.015 11.890 1.00 31.31 O ATOM 250 CB ASP A 30 -13.319 -5.567 13.411 1.00 60.13 C ATOM 251 CG ASP A 30 -13.900 -6.834 14.004 1.00 51.43 C ATOM 252 OD1 ASP A 30 -13.303 -7.396 14.952 1.00 55.24 O ATOM 253 OD2 ASP A 30 -14.978 -7.268 13.550 1.00 5.51 O ATOM 0 H ASP A 30 -12.139 -3.829 12.031 1.00 42.13 H new ATOM 0 HA ASP A 30 -11.284 -6.133 13.426 1.00 3.01 H new ATOM 0 HB2 ASP A 30 -13.155 -4.840 14.207 1.00 60.13 H new ATOM 0 HB3 ASP A 30 -14.041 -5.128 12.722 1.00 60.13 H new ATOM 258 N LEU A 31 -12.616 -6.544 10.462 1.00 10.10 N ATOM 259 CA LEU A 31 -12.785 -7.552 9.472 1.00 13.32 C ATOM 260 C LEU A 31 -11.447 -8.058 8.934 1.00 71.54 C ATOM 261 O LEU A 31 -11.331 -9.201 8.511 1.00 63.43 O ATOM 262 CB LEU A 31 -13.802 -7.179 8.383 1.00 40.11 C ATOM 263 CG LEU A 31 -13.506 -5.996 7.476 1.00 5.03 C ATOM 264 CD1 LEU A 31 -12.434 -6.326 6.462 1.00 60.14 C ATOM 265 CD2 LEU A 31 -14.765 -5.545 6.794 1.00 0.34 C ATOM 0 H LEU A 31 -12.870 -5.598 10.179 1.00 10.10 H new ATOM 0 HA LEU A 31 -13.242 -8.405 9.974 1.00 13.32 H new ATOM 0 HB2 LEU A 31 -13.941 -8.054 7.748 1.00 40.11 H new ATOM 0 HB3 LEU A 31 -14.756 -6.987 8.875 1.00 40.11 H new ATOM 0 HG LEU A 31 -13.127 -5.182 8.094 1.00 5.03 H new ATOM 0 HD11 LEU A 31 -12.249 -5.456 5.831 1.00 60.14 H new ATOM 0 HD12 LEU A 31 -11.515 -6.600 6.980 1.00 60.14 H new ATOM 0 HD13 LEU A 31 -12.764 -7.160 5.842 1.00 60.14 H new ATOM 0 HD21 LEU A 31 -14.544 -4.697 6.146 1.00 0.34 H new ATOM 0 HD22 LEU A 31 -15.168 -6.363 6.197 1.00 0.34 H new ATOM 0 HD23 LEU A 31 -15.498 -5.247 7.544 1.00 0.34 H new ATOM 277 N VAL A 32 -10.435 -7.204 8.977 1.00 44.21 N ATOM 278 CA VAL A 32 -9.102 -7.598 8.604 1.00 1.10 C ATOM 279 C VAL A 32 -8.524 -8.543 9.678 1.00 64.05 C ATOM 280 O VAL A 32 -7.647 -9.360 9.404 1.00 33.03 O ATOM 281 CB VAL A 32 -8.186 -6.335 8.367 1.00 62.51 C ATOM 282 CG1 VAL A 32 -6.720 -6.713 8.204 1.00 72.00 C ATOM 283 CG2 VAL A 32 -8.637 -5.597 7.114 1.00 52.33 C ATOM 0 H VAL A 32 -10.522 -6.231 9.269 1.00 44.21 H new ATOM 0 HA VAL A 32 -9.136 -8.140 7.659 1.00 1.10 H new ATOM 0 HB VAL A 32 -8.283 -5.699 9.247 1.00 62.51 H new ATOM 0 HG11 VAL A 32 -6.128 -5.812 8.043 1.00 72.00 H new ATOM 0 HG12 VAL A 32 -6.373 -7.220 9.104 1.00 72.00 H new ATOM 0 HG13 VAL A 32 -6.609 -7.378 7.348 1.00 72.00 H new ATOM 0 HG21 VAL A 32 -8.001 -4.726 6.956 1.00 52.33 H new ATOM 0 HG22 VAL A 32 -8.563 -6.262 6.253 1.00 52.33 H new ATOM 0 HG23 VAL A 32 -9.671 -5.274 7.234 1.00 52.33 H new ATOM 293 N THR A 33 -9.077 -8.480 10.880 1.00 3.53 N ATOM 294 CA THR A 33 -8.584 -9.288 11.971 1.00 50.21 C ATOM 295 C THR A 33 -9.625 -10.312 12.441 1.00 32.31 C ATOM 296 O THR A 33 -9.556 -10.801 13.575 1.00 5.11 O ATOM 297 CB THR A 33 -8.129 -8.389 13.142 1.00 33.51 C ATOM 298 OG1 THR A 33 -9.175 -7.465 13.507 1.00 20.22 O ATOM 299 CG2 THR A 33 -6.895 -7.605 12.744 1.00 41.14 C ATOM 0 H THR A 33 -9.865 -7.878 11.118 1.00 3.53 H new ATOM 0 HA THR A 33 -7.724 -9.849 11.605 1.00 50.21 H new ATOM 0 HB THR A 33 -7.901 -9.029 13.995 1.00 33.51 H new ATOM 0 HG1 THR A 33 -9.185 -6.716 12.875 1.00 20.22 H new ATOM 0 HG21 THR A 33 -6.581 -6.974 13.575 1.00 41.14 H new ATOM 0 HG22 THR A 33 -6.091 -8.296 12.489 1.00 41.14 H new ATOM 0 HG23 THR A 33 -7.124 -6.980 11.880 1.00 41.14 H new ATOM 307 N LYS A 34 -10.578 -10.638 11.550 1.00 42.34 N ATOM 308 CA LYS A 34 -11.624 -11.607 11.829 1.00 60.13 C ATOM 309 C LYS A 34 -11.104 -12.914 12.387 1.00 2.05 C ATOM 310 O LYS A 34 -10.133 -13.499 11.881 1.00 51.22 O ATOM 311 CB LYS A 34 -12.482 -11.911 10.599 1.00 30.20 C ATOM 312 CG LYS A 34 -13.505 -10.873 10.202 1.00 21.33 C ATOM 313 CD LYS A 34 -14.362 -10.409 11.385 1.00 32.15 C ATOM 314 CE LYS A 34 -15.498 -9.489 10.936 1.00 11.14 C ATOM 315 NZ LYS A 34 -16.300 -8.981 12.073 1.00 54.22 N ATOM 0 H LYS A 34 -10.635 -10.229 10.617 1.00 42.34 H new ATOM 0 HA LYS A 34 -12.236 -11.126 12.592 1.00 60.13 H new ATOM 0 HB2 LYS A 34 -11.815 -12.070 9.752 1.00 30.20 H new ATOM 0 HB3 LYS A 34 -13.004 -12.851 10.775 1.00 30.20 H new ATOM 0 HG2 LYS A 34 -12.995 -10.013 9.768 1.00 21.33 H new ATOM 0 HG3 LYS A 34 -14.153 -11.284 9.428 1.00 21.33 H new ATOM 0 HD2 LYS A 34 -14.778 -11.278 11.896 1.00 32.15 H new ATOM 0 HD3 LYS A 34 -13.734 -9.886 12.106 1.00 32.15 H new ATOM 0 HE2 LYS A 34 -15.082 -8.646 10.384 1.00 11.14 H new ATOM 0 HE3 LYS A 34 -16.149 -10.030 10.249 1.00 11.14 H new ATOM 0 HZ1 LYS A 34 -17.265 -8.769 11.749 1.00 54.22 H new ATOM 0 HZ2 LYS A 34 -16.336 -9.702 12.822 1.00 54.22 H new ATOM 0 HZ3 LYS A 34 -15.862 -8.115 12.447 1.00 54.22 H new ATOM 329 N SER A 35 -11.767 -13.347 13.420 1.00 74.42 N ATOM 330 CA SER A 35 -11.531 -14.585 14.102 1.00 33.30 C ATOM 331 C SER A 35 -11.598 -15.769 13.112 1.00 11.40 C ATOM 332 O SER A 35 -12.319 -15.696 12.112 1.00 50.11 O ATOM 333 CB SER A 35 -12.642 -14.682 15.124 1.00 41.13 C ATOM 334 OG SER A 35 -12.841 -13.397 15.712 1.00 11.24 O ATOM 0 H SER A 35 -12.532 -12.813 13.832 1.00 74.42 H new ATOM 0 HA SER A 35 -10.544 -14.620 14.564 1.00 33.30 H new ATOM 0 HB2 SER A 35 -13.561 -15.026 14.650 1.00 41.13 H new ATOM 0 HB3 SER A 35 -12.386 -15.412 15.891 1.00 41.13 H new ATOM 0 HG SER A 35 -13.561 -13.449 16.375 1.00 11.24 H new ATOM 340 N PRO A 36 -10.849 -16.869 13.371 1.00 11.15 N ATOM 341 CA PRO A 36 -10.810 -18.062 12.492 1.00 60.11 C ATOM 342 C PRO A 36 -12.180 -18.705 12.305 1.00 43.22 C ATOM 343 O PRO A 36 -12.366 -19.561 11.428 1.00 51.34 O ATOM 344 CB PRO A 36 -9.869 -19.028 13.217 1.00 34.23 C ATOM 345 CG PRO A 36 -9.777 -18.518 14.606 1.00 1.35 C ATOM 346 CD PRO A 36 -9.960 -17.036 14.524 1.00 32.32 C ATOM 0 HA PRO A 36 -10.480 -17.798 11.487 1.00 60.11 H new ATOM 0 HB2 PRO A 36 -10.259 -20.046 13.197 1.00 34.23 H new ATOM 0 HB3 PRO A 36 -8.888 -19.053 12.742 1.00 34.23 H new ATOM 0 HG2 PRO A 36 -10.542 -18.970 15.237 1.00 1.35 H new ATOM 0 HG3 PRO A 36 -8.812 -18.766 15.048 1.00 1.35 H new ATOM 0 HD2 PRO A 36 -10.403 -16.634 15.435 1.00 32.32 H new ATOM 0 HD3 PRO A 36 -9.011 -16.521 14.378 1.00 32.32 H new ATOM 354 N ASP A 37 -13.139 -18.293 13.136 1.00 43.40 N ATOM 355 CA ASP A 37 -14.542 -18.740 13.002 1.00 15.35 C ATOM 356 C ASP A 37 -15.093 -18.266 11.651 1.00 34.11 C ATOM 357 O ASP A 37 -15.962 -18.887 11.048 1.00 1.40 O ATOM 358 CB ASP A 37 -15.398 -18.177 14.137 1.00 55.43 C ATOM 359 CG ASP A 37 -16.832 -18.625 14.056 1.00 23.13 C ATOM 360 OD1 ASP A 37 -17.127 -19.777 14.438 1.00 63.25 O ATOM 361 OD2 ASP A 37 -17.690 -17.842 13.628 1.00 23.14 O ATOM 0 H ASP A 37 -12.978 -17.650 13.912 1.00 43.40 H new ATOM 0 HA ASP A 37 -14.575 -19.828 13.055 1.00 15.35 H new ATOM 0 HB2 ASP A 37 -14.977 -18.488 15.093 1.00 55.43 H new ATOM 0 HB3 ASP A 37 -15.359 -17.088 14.111 1.00 55.43 H new ATOM 366 N SER A 38 -14.529 -17.183 11.187 1.00 41.03 N ATOM 367 CA SER A 38 -14.744 -16.661 9.880 1.00 11.32 C ATOM 368 C SER A 38 -13.435 -16.878 9.107 1.00 15.31 C ATOM 369 O SER A 38 -12.457 -16.152 9.291 1.00 23.34 O ATOM 370 CB SER A 38 -15.172 -15.187 9.979 1.00 10.11 C ATOM 371 OG SER A 38 -14.475 -14.517 11.040 1.00 71.34 O ATOM 0 H SER A 38 -13.881 -16.622 11.740 1.00 41.03 H new ATOM 0 HA SER A 38 -15.552 -17.163 9.347 1.00 11.32 H new ATOM 0 HB2 SER A 38 -14.973 -14.683 9.033 1.00 10.11 H new ATOM 0 HB3 SER A 38 -16.247 -15.128 10.151 1.00 10.11 H new ATOM 0 HG SER A 38 -13.567 -14.879 11.115 1.00 71.34 H new ATOM 377 N VAL A 39 -13.425 -17.934 8.313 1.00 71.12 N ATOM 378 CA VAL A 39 -12.226 -18.494 7.668 1.00 52.45 C ATOM 379 C VAL A 39 -11.313 -17.496 6.912 1.00 63.00 C ATOM 380 O VAL A 39 -10.084 -17.624 6.975 1.00 22.13 O ATOM 381 CB VAL A 39 -12.582 -19.729 6.770 1.00 63.24 C ATOM 382 CG1 VAL A 39 -13.492 -19.359 5.610 1.00 0.14 C ATOM 383 CG2 VAL A 39 -11.338 -20.465 6.282 1.00 22.22 C ATOM 0 H VAL A 39 -14.274 -18.451 8.085 1.00 71.12 H new ATOM 0 HA VAL A 39 -11.614 -18.815 8.511 1.00 52.45 H new ATOM 0 HB VAL A 39 -13.138 -20.416 7.409 1.00 63.24 H new ATOM 0 HG11 VAL A 39 -13.708 -20.249 5.019 1.00 0.14 H new ATOM 0 HG12 VAL A 39 -14.423 -18.944 5.996 1.00 0.14 H new ATOM 0 HG13 VAL A 39 -12.998 -18.618 4.982 1.00 0.14 H new ATOM 0 HG21 VAL A 39 -11.635 -21.312 5.664 1.00 22.22 H new ATOM 0 HG22 VAL A 39 -10.721 -19.786 5.694 1.00 22.22 H new ATOM 0 HG23 VAL A 39 -10.768 -20.823 7.139 1.00 22.22 H new ATOM 393 N ASN A 40 -11.860 -16.513 6.230 1.00 42.25 N ATOM 394 CA ASN A 40 -10.987 -15.659 5.434 1.00 62.12 C ATOM 395 C ASN A 40 -11.256 -14.171 5.637 1.00 5.45 C ATOM 396 O ASN A 40 -12.276 -13.636 5.184 1.00 2.22 O ATOM 397 CB ASN A 40 -11.049 -16.060 3.958 1.00 73.00 C ATOM 398 CG ASN A 40 -10.012 -15.348 3.148 1.00 41.45 C ATOM 399 OD1 ASN A 40 -10.272 -14.320 2.547 1.00 11.01 O ATOM 400 ND2 ASN A 40 -8.827 -15.877 3.144 1.00 13.33 N ATOM 0 H ASN A 40 -12.854 -16.287 6.204 1.00 42.25 H new ATOM 0 HA ASN A 40 -9.969 -15.818 5.790 1.00 62.12 H new ATOM 0 HB2 ASN A 40 -10.906 -17.137 3.867 1.00 73.00 H new ATOM 0 HB3 ASN A 40 -12.039 -15.835 3.561 1.00 73.00 H new ATOM 0 HD21 ASN A 40 -8.071 -15.431 2.624 1.00 13.33 H new ATOM 0 HD22 ASN A 40 -8.651 -16.739 3.661 1.00 13.33 H new ATOM 407 N SER A 41 -10.314 -13.498 6.275 1.00 51.01 N ATOM 408 CA SER A 41 -10.446 -12.092 6.641 1.00 43.51 C ATOM 409 C SER A 41 -10.500 -11.214 5.379 1.00 14.14 C ATOM 410 O SER A 41 -11.263 -10.220 5.296 1.00 61.44 O ATOM 411 CB SER A 41 -9.253 -11.702 7.521 1.00 4.13 C ATOM 412 OG SER A 41 -9.117 -12.610 8.624 1.00 5.15 O ATOM 0 H SER A 41 -9.426 -13.913 6.558 1.00 51.01 H new ATOM 0 HA SER A 41 -11.373 -11.938 7.194 1.00 43.51 H new ATOM 0 HB2 SER A 41 -8.340 -11.705 6.926 1.00 4.13 H new ATOM 0 HB3 SER A 41 -9.387 -10.687 7.894 1.00 4.13 H new ATOM 0 HG SER A 41 -8.349 -12.345 9.173 1.00 5.15 H new ATOM 418 N GLU A 42 -9.747 -11.620 4.381 1.00 14.10 N ATOM 419 CA GLU A 42 -9.677 -10.920 3.127 1.00 52.22 C ATOM 420 C GLU A 42 -11.012 -10.994 2.397 1.00 64.22 C ATOM 421 O GLU A 42 -11.295 -10.157 1.553 1.00 31.24 O ATOM 422 CB GLU A 42 -8.567 -11.467 2.214 1.00 20.43 C ATOM 423 CG GLU A 42 -7.236 -11.757 2.894 1.00 1.33 C ATOM 424 CD GLU A 42 -7.224 -13.126 3.532 1.00 42.22 C ATOM 425 OE1 GLU A 42 -7.667 -13.261 4.693 1.00 44.20 O ATOM 426 OE2 GLU A 42 -6.833 -14.096 2.843 1.00 52.23 O ATOM 0 H GLU A 42 -9.162 -12.454 4.422 1.00 14.10 H new ATOM 0 HA GLU A 42 -9.440 -9.882 3.361 1.00 52.22 H new ATOM 0 HB2 GLU A 42 -8.924 -12.386 1.749 1.00 20.43 H new ATOM 0 HB3 GLU A 42 -8.395 -10.749 1.412 1.00 20.43 H new ATOM 0 HG2 GLU A 42 -6.431 -11.689 2.163 1.00 1.33 H new ATOM 0 HG3 GLU A 42 -7.042 -10.999 3.653 1.00 1.33 H new ATOM 433 N HIS A 43 -11.845 -11.986 2.742 1.00 74.03 N ATOM 434 CA HIS A 43 -13.160 -12.126 2.137 1.00 30.22 C ATOM 435 C HIS A 43 -14.020 -10.987 2.597 1.00 5.44 C ATOM 436 O HIS A 43 -14.724 -10.352 1.808 1.00 74.01 O ATOM 437 CB HIS A 43 -13.803 -13.472 2.526 1.00 63.20 C ATOM 438 CG HIS A 43 -15.222 -13.657 2.055 1.00 45.42 C ATOM 439 ND1 HIS A 43 -16.329 -13.437 2.854 1.00 62.41 N ATOM 440 CD2 HIS A 43 -15.698 -14.036 0.852 1.00 61.32 C ATOM 441 CE1 HIS A 43 -17.418 -13.688 2.126 1.00 0.32 C ATOM 442 NE2 HIS A 43 -17.091 -14.055 0.893 1.00 21.33 N ATOM 0 H HIS A 43 -11.624 -12.699 3.437 1.00 74.03 H new ATOM 0 HA HIS A 43 -13.064 -12.107 1.051 1.00 30.22 H new ATOM 0 HB2 HIS A 43 -13.193 -14.280 2.121 1.00 63.20 H new ATOM 0 HB3 HIS A 43 -13.780 -13.569 3.611 1.00 63.20 H new ATOM 0 HD1 HIS A 43 -16.315 -13.136 3.828 1.00 62.41 H new ATOM 0 HD2 HIS A 43 -15.095 -14.286 -0.008 1.00 61.32 H new ATOM 0 HE1 HIS A 43 -18.431 -13.604 2.491 1.00 0.32 H new ATOM 450 N GLU A 44 -13.907 -10.690 3.868 1.00 65.20 N ATOM 451 CA GLU A 44 -14.664 -9.658 4.469 1.00 15.43 C ATOM 452 C GLU A 44 -14.160 -8.337 3.939 1.00 41.12 C ATOM 453 O GLU A 44 -14.931 -7.412 3.729 1.00 3.32 O ATOM 454 CB GLU A 44 -14.480 -9.726 5.965 1.00 21.52 C ATOM 455 CG GLU A 44 -14.624 -11.126 6.533 1.00 13.35 C ATOM 456 CD GLU A 44 -15.987 -11.721 6.332 1.00 30.31 C ATOM 457 OE1 GLU A 44 -16.926 -11.332 7.032 1.00 23.30 O ATOM 458 OE2 GLU A 44 -16.134 -12.636 5.497 1.00 72.34 O ATOM 0 H GLU A 44 -13.276 -11.172 4.508 1.00 65.20 H new ATOM 0 HA GLU A 44 -15.724 -9.765 4.239 1.00 15.43 H new ATOM 0 HB2 GLU A 44 -13.493 -9.340 6.219 1.00 21.52 H new ATOM 0 HB3 GLU A 44 -15.210 -9.073 6.442 1.00 21.52 H new ATOM 0 HG2 GLU A 44 -13.882 -11.775 6.069 1.00 13.35 H new ATOM 0 HG3 GLU A 44 -14.402 -11.100 7.600 1.00 13.35 H new ATOM 465 N LEU A 45 -12.856 -8.268 3.699 1.00 20.23 N ATOM 466 CA LEU A 45 -12.259 -7.093 3.137 1.00 55.24 C ATOM 467 C LEU A 45 -12.731 -6.879 1.700 1.00 63.31 C ATOM 468 O LEU A 45 -13.076 -5.765 1.317 1.00 50.12 O ATOM 469 CB LEU A 45 -10.744 -7.172 3.200 1.00 31.04 C ATOM 470 CG LEU A 45 -10.029 -5.914 2.754 1.00 2.21 C ATOM 471 CD1 LEU A 45 -10.394 -4.757 3.647 1.00 40.41 C ATOM 472 CD2 LEU A 45 -8.528 -6.121 2.688 1.00 32.01 C ATOM 0 H LEU A 45 -12.200 -9.025 3.891 1.00 20.23 H new ATOM 0 HA LEU A 45 -12.578 -6.236 3.730 1.00 55.24 H new ATOM 0 HB2 LEU A 45 -10.447 -7.399 4.224 1.00 31.04 H new ATOM 0 HB3 LEU A 45 -10.410 -8.004 2.579 1.00 31.04 H new ATOM 0 HG LEU A 45 -10.359 -5.675 1.743 1.00 2.21 H new ATOM 0 HD11 LEU A 45 -9.872 -3.861 3.313 1.00 40.41 H new ATOM 0 HD12 LEU A 45 -11.470 -4.588 3.602 1.00 40.41 H new ATOM 0 HD13 LEU A 45 -10.105 -4.984 4.673 1.00 40.41 H new ATOM 0 HD21 LEU A 45 -8.047 -5.198 2.364 1.00 32.01 H new ATOM 0 HD22 LEU A 45 -8.155 -6.398 3.674 1.00 32.01 H new ATOM 0 HD23 LEU A 45 -8.301 -6.916 1.978 1.00 32.01 H new ATOM 484 N ALA A 46 -12.782 -7.955 0.931 1.00 51.41 N ATOM 485 CA ALA A 46 -13.256 -7.914 -0.451 1.00 34.34 C ATOM 486 C ALA A 46 -14.706 -7.469 -0.499 1.00 12.44 C ATOM 487 O ALA A 46 -15.137 -6.770 -1.417 1.00 3.25 O ATOM 488 CB ALA A 46 -13.105 -9.281 -1.111 1.00 70.53 C ATOM 0 H ALA A 46 -12.497 -8.883 1.243 1.00 51.41 H new ATOM 0 HA ALA A 46 -12.649 -7.194 -1.000 1.00 34.34 H new ATOM 0 HB1 ALA A 46 -13.463 -9.230 -2.139 1.00 70.53 H new ATOM 0 HB2 ALA A 46 -12.055 -9.573 -1.107 1.00 70.53 H new ATOM 0 HB3 ALA A 46 -13.689 -10.018 -0.559 1.00 70.53 H new ATOM 494 N HIS A 47 -15.441 -7.864 0.502 1.00 23.32 N ATOM 495 CA HIS A 47 -16.836 -7.504 0.615 1.00 34.53 C ATOM 496 C HIS A 47 -16.966 -6.043 1.081 1.00 31.04 C ATOM 497 O HIS A 47 -17.880 -5.324 0.667 1.00 42.12 O ATOM 498 CB HIS A 47 -17.550 -8.475 1.575 1.00 23.32 C ATOM 499 CG HIS A 47 -19.038 -8.312 1.633 1.00 63.01 C ATOM 500 ND1 HIS A 47 -19.899 -8.835 0.700 1.00 64.14 N ATOM 501 CD2 HIS A 47 -19.813 -7.676 2.538 1.00 50.14 C ATOM 502 CE1 HIS A 47 -21.140 -8.513 1.051 1.00 53.14 C ATOM 503 NE2 HIS A 47 -21.146 -7.805 2.168 1.00 35.23 N ATOM 0 H HIS A 47 -15.095 -8.445 1.266 1.00 23.32 H new ATOM 0 HA HIS A 47 -17.316 -7.585 -0.360 1.00 34.53 H new ATOM 0 HB2 HIS A 47 -17.321 -9.497 1.274 1.00 23.32 H new ATOM 0 HB3 HIS A 47 -17.143 -8.339 2.577 1.00 23.32 H new ATOM 0 HD2 HIS A 47 -19.454 -7.151 3.411 1.00 50.14 H new ATOM 0 HE1 HIS A 47 -22.025 -8.792 0.498 1.00 53.14 H new ATOM 0 HE2 HIS A 47 -21.960 -7.431 2.656 1.00 35.23 H new ATOM 511 N PHE A 48 -16.011 -5.606 1.902 1.00 53.14 N ATOM 512 CA PHE A 48 -15.969 -4.261 2.433 1.00 63.12 C ATOM 513 C PHE A 48 -15.705 -3.277 1.323 1.00 63.40 C ATOM 514 O PHE A 48 -16.393 -2.286 1.180 1.00 33.25 O ATOM 515 CB PHE A 48 -14.852 -4.173 3.484 1.00 32.52 C ATOM 516 CG PHE A 48 -14.586 -2.798 4.026 1.00 31.13 C ATOM 517 CD1 PHE A 48 -13.650 -1.981 3.422 1.00 43.41 C ATOM 518 CD2 PHE A 48 -15.263 -2.332 5.123 1.00 60.13 C ATOM 519 CE1 PHE A 48 -13.398 -0.718 3.902 1.00 3.23 C ATOM 520 CE2 PHE A 48 -15.019 -1.066 5.620 1.00 20.31 C ATOM 521 CZ PHE A 48 -14.083 -0.258 5.003 1.00 44.23 C ATOM 0 H PHE A 48 -15.238 -6.192 2.216 1.00 53.14 H new ATOM 0 HA PHE A 48 -16.927 -4.020 2.893 1.00 63.12 H new ATOM 0 HB2 PHE A 48 -15.106 -4.830 4.316 1.00 32.52 H new ATOM 0 HB3 PHE A 48 -13.931 -4.556 3.044 1.00 32.52 H new ATOM 0 HD1 PHE A 48 -13.108 -2.340 2.560 1.00 43.41 H new ATOM 0 HD2 PHE A 48 -15.996 -2.962 5.605 1.00 60.13 H new ATOM 0 HE1 PHE A 48 -12.666 -0.090 3.417 1.00 3.23 H new ATOM 0 HE2 PHE A 48 -15.557 -0.710 6.486 1.00 20.31 H new ATOM 0 HZ PHE A 48 -13.889 0.734 5.385 1.00 44.23 H new ATOM 531 N LEU A 49 -14.719 -3.582 0.513 1.00 34.12 N ATOM 532 CA LEU A 49 -14.317 -2.704 -0.556 1.00 32.43 C ATOM 533 C LEU A 49 -15.308 -2.753 -1.706 1.00 53.33 C ATOM 534 O LEU A 49 -15.162 -2.032 -2.668 1.00 62.21 O ATOM 535 CB LEU A 49 -12.889 -3.045 -1.016 1.00 2.23 C ATOM 536 CG LEU A 49 -12.685 -4.424 -1.649 1.00 34.21 C ATOM 537 CD1 LEU A 49 -13.077 -4.438 -3.118 1.00 51.23 C ATOM 538 CD2 LEU A 49 -11.274 -4.896 -1.448 1.00 74.44 C ATOM 0 H LEU A 49 -14.176 -4.443 0.577 1.00 34.12 H new ATOM 0 HA LEU A 49 -14.313 -1.680 -0.183 1.00 32.43 H new ATOM 0 HB2 LEU A 49 -12.573 -2.290 -1.735 1.00 2.23 H new ATOM 0 HB3 LEU A 49 -12.225 -2.963 -0.156 1.00 2.23 H new ATOM 0 HG LEU A 49 -13.350 -5.123 -1.142 1.00 34.21 H new ATOM 0 HD11 LEU A 49 -12.917 -5.435 -3.528 1.00 51.23 H new ATOM 0 HD12 LEU A 49 -14.129 -4.170 -3.216 1.00 51.23 H new ATOM 0 HD13 LEU A 49 -12.467 -3.719 -3.664 1.00 51.23 H new ATOM 0 HD21 LEU A 49 -11.150 -5.878 -1.905 1.00 74.44 H new ATOM 0 HD22 LEU A 49 -10.585 -4.190 -1.912 1.00 74.44 H new ATOM 0 HD23 LEU A 49 -11.061 -4.963 -0.381 1.00 74.44 H new ATOM 550 N GLY A 50 -16.300 -3.628 -1.586 1.00 70.31 N ATOM 551 CA GLY A 50 -17.333 -3.776 -2.593 1.00 43.25 C ATOM 552 C GLY A 50 -17.929 -2.436 -3.015 1.00 11.02 C ATOM 553 O GLY A 50 -17.858 -2.076 -4.197 1.00 72.03 O ATOM 0 H GLY A 50 -16.407 -4.252 -0.787 1.00 70.31 H new ATOM 0 HA2 GLY A 50 -16.916 -4.277 -3.467 1.00 43.25 H new ATOM 0 HA3 GLY A 50 -18.125 -4.417 -2.206 1.00 43.25 H new ATOM 557 N PRO A 51 -18.546 -1.684 -2.089 1.00 21.31 N ATOM 558 CA PRO A 51 -19.024 -0.343 -2.374 1.00 13.11 C ATOM 559 C PRO A 51 -17.923 0.733 -2.200 1.00 52.01 C ATOM 560 O PRO A 51 -18.116 1.901 -2.555 1.00 4.32 O ATOM 561 CB PRO A 51 -20.134 -0.151 -1.348 1.00 74.33 C ATOM 562 CG PRO A 51 -19.712 -0.962 -0.173 1.00 60.01 C ATOM 563 CD PRO A 51 -18.913 -2.115 -0.714 1.00 2.01 C ATOM 0 HA PRO A 51 -19.352 -0.234 -3.408 1.00 13.11 H new ATOM 0 HB2 PRO A 51 -20.249 0.900 -1.082 1.00 74.33 H new ATOM 0 HB3 PRO A 51 -21.095 -0.489 -1.737 1.00 74.33 H new ATOM 0 HG2 PRO A 51 -19.114 -0.365 0.516 1.00 60.01 H new ATOM 0 HG3 PRO A 51 -20.579 -1.318 0.384 1.00 60.01 H new ATOM 0 HD2 PRO A 51 -18.029 -2.308 -0.107 1.00 2.01 H new ATOM 0 HD3 PRO A 51 -19.498 -3.035 -0.727 1.00 2.01 H new ATOM 571 N HIS A 52 -16.761 0.333 -1.699 1.00 61.00 N ATOM 572 CA HIS A 52 -15.683 1.286 -1.404 1.00 5.25 C ATOM 573 C HIS A 52 -14.532 1.069 -2.364 1.00 15.25 C ATOM 574 O HIS A 52 -13.392 1.332 -2.019 1.00 10.55 O ATOM 575 CB HIS A 52 -15.158 1.129 0.049 1.00 34.22 C ATOM 576 CG HIS A 52 -16.150 1.400 1.148 1.00 40.13 C ATOM 577 ND1 HIS A 52 -16.372 2.640 1.718 1.00 72.45 N ATOM 578 CD2 HIS A 52 -16.954 0.547 1.813 1.00 23.24 C ATOM 579 CE1 HIS A 52 -17.277 2.492 2.684 1.00 60.25 C ATOM 580 NE2 HIS A 52 -17.662 1.236 2.783 1.00 11.11 N ATOM 0 H HIS A 52 -16.535 -0.639 -1.487 1.00 61.00 H new ATOM 0 HA HIS A 52 -16.092 2.290 -1.517 1.00 5.25 H new ATOM 0 HB2 HIS A 52 -14.783 0.113 0.169 1.00 34.22 H new ATOM 0 HB3 HIS A 52 -14.309 1.800 0.181 1.00 34.22 H new ATOM 0 HD1 HIS A 52 -15.922 3.514 1.447 1.00 72.45 H new ATOM 0 HD2 HIS A 52 -17.034 -0.512 1.619 1.00 23.24 H new ATOM 0 HE1 HIS A 52 -17.646 3.295 3.304 1.00 60.25 H new ATOM 588 N ASP A 53 -14.873 0.635 -3.583 1.00 40.53 N ATOM 589 CA ASP A 53 -13.912 0.309 -4.660 1.00 75.52 C ATOM 590 C ASP A 53 -12.963 1.465 -4.966 1.00 64.04 C ATOM 591 O ASP A 53 -13.373 2.504 -5.490 1.00 32.14 O ATOM 592 CB ASP A 53 -14.697 -0.076 -5.939 1.00 22.33 C ATOM 593 CG ASP A 53 -13.836 -0.186 -7.201 1.00 43.40 C ATOM 594 OD1 ASP A 53 -13.848 0.759 -8.037 1.00 15.14 O ATOM 595 OD2 ASP A 53 -13.167 -1.202 -7.403 1.00 14.32 O ATOM 0 H ASP A 53 -15.844 0.495 -3.861 1.00 40.53 H new ATOM 0 HA ASP A 53 -13.300 -0.526 -4.319 1.00 75.52 H new ATOM 0 HB2 ASP A 53 -15.197 -1.030 -5.771 1.00 22.33 H new ATOM 0 HB3 ASP A 53 -15.477 0.666 -6.109 1.00 22.33 H new ATOM 600 N PRO A 54 -11.689 1.324 -4.570 1.00 52.32 N ATOM 601 CA PRO A 54 -10.669 2.291 -4.828 1.00 23.31 C ATOM 602 C PRO A 54 -9.679 1.762 -5.884 1.00 3.24 C ATOM 603 O PRO A 54 -10.026 0.915 -6.720 1.00 0.11 O ATOM 604 CB PRO A 54 -9.997 2.338 -3.451 1.00 3.34 C ATOM 605 CG PRO A 54 -10.044 0.909 -2.962 1.00 74.22 C ATOM 606 CD PRO A 54 -11.136 0.214 -3.764 1.00 21.14 C ATOM 0 HA PRO A 54 -11.024 3.249 -5.209 1.00 23.31 H new ATOM 0 HB2 PRO A 54 -8.971 2.701 -3.521 1.00 3.34 H new ATOM 0 HB3 PRO A 54 -10.526 3.008 -2.773 1.00 3.34 H new ATOM 0 HG2 PRO A 54 -9.082 0.417 -3.108 1.00 74.22 H new ATOM 0 HG3 PRO A 54 -10.262 0.871 -1.895 1.00 74.22 H new ATOM 0 HD2 PRO A 54 -10.736 -0.583 -4.390 1.00 21.14 H new ATOM 0 HD3 PRO A 54 -11.891 -0.236 -3.119 1.00 21.14 H new ATOM 614 N GLU A 55 -8.469 2.259 -5.851 1.00 30.43 N ATOM 615 CA GLU A 55 -7.439 1.759 -6.709 1.00 55.21 C ATOM 616 C GLU A 55 -6.703 0.717 -5.950 1.00 12.33 C ATOM 617 O GLU A 55 -6.175 1.000 -4.869 1.00 52.13 O ATOM 618 CB GLU A 55 -6.495 2.861 -7.079 1.00 42.34 C ATOM 619 CG GLU A 55 -7.165 3.993 -7.773 1.00 11.32 C ATOM 620 CD GLU A 55 -6.219 5.114 -8.034 1.00 11.52 C ATOM 621 OE1 GLU A 55 -5.689 5.682 -7.061 1.00 23.35 O ATOM 622 OE2 GLU A 55 -6.013 5.474 -9.200 1.00 5.03 O ATOM 0 H GLU A 55 -8.177 3.015 -5.232 1.00 30.43 H new ATOM 0 HA GLU A 55 -7.869 1.353 -7.624 1.00 55.21 H new ATOM 0 HB2 GLU A 55 -6.008 3.232 -6.177 1.00 42.34 H new ATOM 0 HB3 GLU A 55 -5.712 2.460 -7.723 1.00 42.34 H new ATOM 0 HG2 GLU A 55 -7.586 3.644 -8.716 1.00 11.32 H new ATOM 0 HG3 GLU A 55 -7.996 4.352 -7.166 1.00 11.32 H new ATOM 629 N ILE A 56 -6.692 -0.469 -6.451 1.00 53.20 N ATOM 630 CA ILE A 56 -6.026 -1.530 -5.771 1.00 63.41 C ATOM 631 C ILE A 56 -4.702 -1.756 -6.445 1.00 51.34 C ATOM 632 O ILE A 56 -4.663 -2.159 -7.541 1.00 52.14 O ATOM 633 CB ILE A 56 -6.868 -2.820 -5.837 1.00 34.33 C ATOM 634 CG1 ILE A 56 -8.263 -2.572 -5.226 1.00 32.32 C ATOM 635 CG2 ILE A 56 -6.144 -3.926 -5.095 1.00 5.44 C ATOM 636 CD1 ILE A 56 -9.293 -3.642 -5.542 1.00 74.13 C ATOM 0 H ILE A 56 -7.137 -0.731 -7.331 1.00 53.20 H new ATOM 0 HA ILE A 56 -5.883 -1.267 -4.723 1.00 63.41 H new ATOM 0 HB ILE A 56 -7.002 -3.120 -6.876 1.00 34.33 H new ATOM 0 HG12 ILE A 56 -8.162 -2.493 -4.144 1.00 32.32 H new ATOM 0 HG13 ILE A 56 -8.635 -1.612 -5.583 1.00 32.32 H new ATOM 0 HG21 ILE A 56 -6.735 -4.841 -5.138 1.00 5.44 H new ATOM 0 HG22 ILE A 56 -5.173 -4.099 -5.558 1.00 5.44 H new ATOM 0 HG23 ILE A 56 -6.003 -3.634 -4.054 1.00 5.44 H new ATOM 0 HD11 ILE A 56 -10.242 -3.384 -5.072 1.00 74.13 H new ATOM 0 HD12 ILE A 56 -9.429 -3.708 -6.621 1.00 74.13 H new ATOM 0 HD13 ILE A 56 -8.948 -4.603 -5.160 1.00 74.13 H new ATOM 648 N TYR A 57 -3.642 -1.439 -5.820 1.00 3.14 N ATOM 649 CA TYR A 57 -2.363 -1.655 -6.421 1.00 24.12 C ATOM 650 C TYR A 57 -1.802 -2.937 -5.932 1.00 32.32 C ATOM 651 O TYR A 57 -1.943 -3.262 -4.786 1.00 75.33 O ATOM 652 CB TYR A 57 -1.398 -0.519 -6.119 1.00 30.01 C ATOM 653 CG TYR A 57 -1.766 0.792 -6.743 1.00 5.04 C ATOM 654 CD1 TYR A 57 -1.223 1.170 -7.959 1.00 21.12 C ATOM 655 CD2 TYR A 57 -2.635 1.665 -6.111 1.00 24.50 C ATOM 656 CE1 TYR A 57 -1.532 2.383 -8.523 1.00 63.33 C ATOM 657 CE2 TYR A 57 -2.955 2.872 -6.676 1.00 54.45 C ATOM 658 CZ TYR A 57 -2.400 3.227 -7.877 1.00 11.50 C ATOM 659 OH TYR A 57 -2.682 4.450 -8.413 1.00 0.40 O ATOM 0 H TYR A 57 -3.618 -1.026 -4.888 1.00 3.14 H new ATOM 0 HA TYR A 57 -2.498 -1.693 -7.502 1.00 24.12 H new ATOM 0 HB2 TYR A 57 -1.337 -0.388 -5.039 1.00 30.01 H new ATOM 0 HB3 TYR A 57 -0.403 -0.804 -6.462 1.00 30.01 H new ATOM 0 HD1 TYR A 57 -0.547 0.501 -8.471 1.00 21.12 H new ATOM 0 HD2 TYR A 57 -3.067 1.391 -5.160 1.00 24.50 H new ATOM 0 HE1 TYR A 57 -1.095 2.671 -9.468 1.00 63.33 H new ATOM 0 HE2 TYR A 57 -3.641 3.540 -6.177 1.00 54.45 H new ATOM 0 HH TYR A 57 -3.314 4.923 -7.833 1.00 0.40 H new ATOM 669 N VAL A 58 -1.218 -3.669 -6.803 1.00 64.22 N ATOM 670 CA VAL A 58 -0.559 -4.893 -6.462 1.00 24.54 C ATOM 671 C VAL A 58 0.775 -4.886 -7.131 1.00 33.13 C ATOM 672 O VAL A 58 0.859 -4.801 -8.354 1.00 3.11 O ATOM 673 CB VAL A 58 -1.378 -6.144 -6.869 1.00 74.33 C ATOM 674 CG1 VAL A 58 -0.551 -7.424 -6.759 1.00 53.34 C ATOM 675 CG2 VAL A 58 -2.605 -6.277 -5.999 1.00 53.02 C ATOM 0 H VAL A 58 -1.178 -3.439 -7.796 1.00 64.22 H new ATOM 0 HA VAL A 58 -0.451 -4.953 -5.379 1.00 24.54 H new ATOM 0 HB VAL A 58 -1.672 -6.009 -7.910 1.00 74.33 H new ATOM 0 HG11 VAL A 58 -1.161 -8.278 -7.053 1.00 53.34 H new ATOM 0 HG12 VAL A 58 0.316 -7.354 -7.416 1.00 53.34 H new ATOM 0 HG13 VAL A 58 -0.217 -7.554 -5.730 1.00 53.34 H new ATOM 0 HG21 VAL A 58 -3.169 -7.161 -6.298 1.00 53.02 H new ATOM 0 HG22 VAL A 58 -2.303 -6.375 -4.956 1.00 53.02 H new ATOM 0 HG23 VAL A 58 -3.230 -5.391 -6.114 1.00 53.02 H new ATOM 685 N ASN A 59 1.806 -4.849 -6.309 1.00 2.14 N ATOM 686 CA ASN A 59 3.214 -4.831 -6.730 1.00 25.32 C ATOM 687 C ASN A 59 3.530 -3.577 -7.525 1.00 10.53 C ATOM 688 O ASN A 59 4.518 -3.503 -8.244 1.00 31.31 O ATOM 689 CB ASN A 59 3.577 -6.097 -7.517 1.00 41.11 C ATOM 690 CG ASN A 59 3.435 -7.363 -6.688 1.00 13.31 C ATOM 691 OD1 ASN A 59 3.609 -7.348 -5.454 1.00 1.03 O ATOM 692 ND2 ASN A 59 3.126 -8.448 -7.336 1.00 63.32 N ATOM 0 H ASN A 59 1.695 -4.830 -5.295 1.00 2.14 H new ATOM 0 HA ASN A 59 3.829 -4.817 -5.830 1.00 25.32 H new ATOM 0 HB2 ASN A 59 2.937 -6.169 -8.396 1.00 41.11 H new ATOM 0 HB3 ASN A 59 4.603 -6.015 -7.876 1.00 41.11 H new ATOM 0 HD21 ASN A 59 3.018 -9.329 -6.833 1.00 63.32 H new ATOM 0 HD22 ASN A 59 2.992 -8.418 -8.347 1.00 63.32 H new ATOM 699 N GLY A 60 2.700 -2.569 -7.342 1.00 32.44 N ATOM 700 CA GLY A 60 2.881 -1.320 -8.031 1.00 23.01 C ATOM 701 C GLY A 60 2.008 -1.209 -9.262 1.00 71.42 C ATOM 702 O GLY A 60 2.017 -0.188 -9.941 1.00 10.31 O ATOM 0 H GLY A 60 1.893 -2.597 -6.719 1.00 32.44 H new ATOM 0 HA2 GLY A 60 2.654 -0.498 -7.353 1.00 23.01 H new ATOM 0 HA3 GLY A 60 3.927 -1.216 -8.320 1.00 23.01 H new ATOM 706 N LYS A 61 1.240 -2.243 -9.548 1.00 13.10 N ATOM 707 CA LYS A 61 0.384 -2.246 -10.701 1.00 2.34 C ATOM 708 C LYS A 61 -1.027 -2.017 -10.272 1.00 24.04 C ATOM 709 O LYS A 61 -1.477 -2.607 -9.293 1.00 53.05 O ATOM 710 CB LYS A 61 0.511 -3.554 -11.493 1.00 4.44 C ATOM 711 CG LYS A 61 1.917 -3.831 -12.020 1.00 31.10 C ATOM 712 CD LYS A 61 2.422 -2.702 -12.915 1.00 61.31 C ATOM 713 CE LYS A 61 1.583 -2.542 -14.175 1.00 3.34 C ATOM 714 NZ LYS A 61 2.042 -1.404 -14.995 1.00 43.02 N ATOM 0 H LYS A 61 1.197 -3.094 -8.988 1.00 13.10 H new ATOM 0 HA LYS A 61 0.693 -1.439 -11.366 1.00 2.34 H new ATOM 0 HB2 LYS A 61 0.204 -4.383 -10.856 1.00 4.44 H new ATOM 0 HB3 LYS A 61 -0.181 -3.525 -12.334 1.00 4.44 H new ATOM 0 HG2 LYS A 61 2.600 -3.962 -11.181 1.00 31.10 H new ATOM 0 HG3 LYS A 61 1.917 -4.766 -12.580 1.00 31.10 H new ATOM 0 HD2 LYS A 61 2.414 -1.767 -12.355 1.00 61.31 H new ATOM 0 HD3 LYS A 61 3.457 -2.898 -13.193 1.00 61.31 H new ATOM 0 HE2 LYS A 61 1.632 -3.458 -14.764 1.00 3.34 H new ATOM 0 HE3 LYS A 61 0.538 -2.395 -13.901 1.00 3.34 H new ATOM 0 HZ1 LYS A 61 1.447 -1.326 -15.845 1.00 43.02 H new ATOM 0 HZ2 LYS A 61 1.972 -0.526 -14.441 1.00 43.02 H new ATOM 0 HZ3 LYS A 61 3.031 -1.556 -15.278 1.00 43.02 H new ATOM 728 N ILE A 62 -1.707 -1.167 -10.978 1.00 52.30 N ATOM 729 CA ILE A 62 -3.052 -0.801 -10.634 1.00 62.34 C ATOM 730 C ILE A 62 -4.014 -1.937 -11.056 1.00 23.02 C ATOM 731 O ILE A 62 -3.930 -2.481 -12.163 1.00 32.21 O ATOM 732 CB ILE A 62 -3.430 0.603 -11.260 1.00 11.15 C ATOM 733 CG1 ILE A 62 -4.451 1.388 -10.391 1.00 1.24 C ATOM 734 CG2 ILE A 62 -3.915 0.495 -12.704 1.00 22.41 C ATOM 735 CD1 ILE A 62 -5.818 0.784 -10.255 1.00 40.35 C ATOM 0 H ILE A 62 -1.346 -0.704 -11.812 1.00 52.30 H new ATOM 0 HA ILE A 62 -3.143 -0.679 -9.555 1.00 62.34 H new ATOM 0 HB ILE A 62 -2.501 1.174 -11.272 1.00 11.15 H new ATOM 0 HG12 ILE A 62 -4.029 1.507 -9.393 1.00 1.24 H new ATOM 0 HG13 ILE A 62 -4.560 2.388 -10.812 1.00 1.24 H new ATOM 0 HG21 ILE A 62 -4.160 1.488 -13.081 1.00 22.41 H new ATOM 0 HG22 ILE A 62 -3.130 0.057 -13.320 1.00 22.41 H new ATOM 0 HG23 ILE A 62 -4.802 -0.137 -12.743 1.00 22.41 H new ATOM 0 HD11 ILE A 62 -6.437 1.424 -9.626 1.00 40.35 H new ATOM 0 HD12 ILE A 62 -6.275 0.692 -11.240 1.00 40.35 H new ATOM 0 HD13 ILE A 62 -5.736 -0.203 -9.799 1.00 40.35 H new ATOM 747 N GLN A 63 -4.827 -2.339 -10.133 1.00 13.34 N ATOM 748 CA GLN A 63 -5.794 -3.389 -10.297 1.00 73.43 C ATOM 749 C GLN A 63 -7.166 -2.843 -9.896 1.00 21.12 C ATOM 750 O GLN A 63 -7.274 -1.958 -9.001 1.00 31.02 O ATOM 751 CB GLN A 63 -5.476 -4.572 -9.349 1.00 41.15 C ATOM 752 CG GLN A 63 -4.023 -5.042 -9.311 1.00 53.23 C ATOM 753 CD GLN A 63 -3.485 -5.530 -10.637 1.00 23.23 C ATOM 754 OE1 GLN A 63 -4.216 -6.042 -11.481 1.00 52.54 O ATOM 755 NE2 GLN A 63 -2.200 -5.384 -10.822 1.00 54.34 N ATOM 0 H GLN A 63 -4.840 -1.929 -9.199 1.00 13.34 H new ATOM 0 HA GLN A 63 -5.775 -3.728 -11.333 1.00 73.43 H new ATOM 0 HB2 GLN A 63 -5.769 -4.288 -8.338 1.00 41.15 H new ATOM 0 HB3 GLN A 63 -6.101 -5.417 -9.637 1.00 41.15 H new ATOM 0 HG2 GLN A 63 -3.398 -4.221 -8.960 1.00 53.23 H new ATOM 0 HG3 GLN A 63 -3.934 -5.845 -8.580 1.00 53.23 H new ATOM 0 HE21 GLN A 63 -1.626 -4.954 -10.097 1.00 54.34 H new ATOM 0 HE22 GLN A 63 -1.771 -5.700 -11.692 1.00 54.34 H new ATOM 764 N THR A 64 -8.188 -3.335 -10.547 1.00 23.34 N ATOM 765 CA THR A 64 -9.543 -2.990 -10.203 1.00 10.12 C ATOM 766 C THR A 64 -10.069 -4.039 -9.208 1.00 62.44 C ATOM 767 O THR A 64 -9.367 -5.043 -8.938 1.00 32.02 O ATOM 768 CB THR A 64 -10.454 -2.914 -11.482 1.00 43.51 C ATOM 769 OG1 THR A 64 -11.792 -2.523 -11.135 1.00 71.42 O ATOM 770 CG2 THR A 64 -10.496 -4.251 -12.217 1.00 33.50 C ATOM 0 H THR A 64 -8.105 -3.985 -11.329 1.00 23.34 H new ATOM 0 HA THR A 64 -9.565 -2.002 -9.744 1.00 10.12 H new ATOM 0 HB THR A 64 -10.018 -2.164 -12.142 1.00 43.51 H new ATOM 0 HG1 THR A 64 -12.341 -2.480 -11.946 1.00 71.42 H new ATOM 0 HG21 THR A 64 -11.135 -4.163 -13.096 1.00 33.50 H new ATOM 0 HG22 THR A 64 -9.488 -4.528 -12.527 1.00 33.50 H new ATOM 0 HG23 THR A 64 -10.895 -5.018 -11.554 1.00 33.50 H new ATOM 778 N THR A 65 -11.280 -3.832 -8.679 1.00 52.13 N ATOM 779 CA THR A 65 -11.900 -4.749 -7.730 1.00 52.14 C ATOM 780 C THR A 65 -11.959 -6.174 -8.298 1.00 51.22 C ATOM 781 O THR A 65 -11.716 -7.138 -7.583 1.00 61.32 O ATOM 782 CB THR A 65 -13.327 -4.255 -7.267 1.00 71.24 C ATOM 783 OG1 THR A 65 -13.894 -5.143 -6.291 1.00 70.35 O ATOM 784 CG2 THR A 65 -14.300 -4.110 -8.436 1.00 22.25 C ATOM 0 H THR A 65 -11.855 -3.020 -8.901 1.00 52.13 H new ATOM 0 HA THR A 65 -11.269 -4.765 -6.841 1.00 52.14 H new ATOM 0 HB THR A 65 -13.176 -3.272 -6.822 1.00 71.24 H new ATOM 0 HG1 THR A 65 -14.776 -4.812 -6.021 1.00 70.35 H new ATOM 0 HG21 THR A 65 -15.266 -3.768 -8.065 1.00 22.25 H new ATOM 0 HG22 THR A 65 -13.907 -3.384 -9.148 1.00 22.25 H new ATOM 0 HG23 THR A 65 -14.422 -5.074 -8.930 1.00 22.25 H new ATOM 792 N THR A 66 -12.188 -6.279 -9.602 1.00 73.33 N ATOM 793 CA THR A 66 -12.277 -7.553 -10.280 1.00 3.02 C ATOM 794 C THR A 66 -10.923 -8.289 -10.263 1.00 61.13 C ATOM 795 O THR A 66 -10.857 -9.468 -9.931 1.00 33.24 O ATOM 796 CB THR A 66 -12.752 -7.337 -11.724 1.00 31.50 C ATOM 797 OG1 THR A 66 -13.978 -6.578 -11.701 1.00 74.14 O ATOM 798 CG2 THR A 66 -12.989 -8.662 -12.424 1.00 52.45 C ATOM 0 H THR A 66 -12.317 -5.475 -10.216 1.00 73.33 H new ATOM 0 HA THR A 66 -12.999 -8.176 -9.753 1.00 3.02 H new ATOM 0 HB THR A 66 -11.980 -6.797 -12.272 1.00 31.50 H new ATOM 0 HG1 THR A 66 -14.290 -6.432 -12.619 1.00 74.14 H new ATOM 0 HG21 THR A 66 -13.325 -8.479 -13.445 1.00 52.45 H new ATOM 0 HG22 THR A 66 -12.061 -9.234 -12.444 1.00 52.45 H new ATOM 0 HG23 THR A 66 -13.752 -9.226 -11.887 1.00 52.45 H new ATOM 806 N ALA A 67 -9.859 -7.570 -10.582 1.00 23.11 N ATOM 807 CA ALA A 67 -8.519 -8.124 -10.604 1.00 0.14 C ATOM 808 C ALA A 67 -8.117 -8.560 -9.207 1.00 62.00 C ATOM 809 O ALA A 67 -7.617 -9.659 -9.028 1.00 3.52 O ATOM 810 CB ALA A 67 -7.543 -7.107 -11.158 1.00 44.21 C ATOM 0 H ALA A 67 -9.903 -6.582 -10.834 1.00 23.11 H new ATOM 0 HA ALA A 67 -8.502 -8.999 -11.254 1.00 0.14 H new ATOM 0 HB1 ALA A 67 -6.540 -7.534 -11.170 1.00 44.21 H new ATOM 0 HB2 ALA A 67 -7.835 -6.838 -12.173 1.00 44.21 H new ATOM 0 HB3 ALA A 67 -7.551 -6.216 -10.530 1.00 44.21 H new ATOM 816 N PHE A 68 -8.369 -7.693 -8.224 1.00 71.32 N ATOM 817 CA PHE A 68 -8.139 -8.009 -6.811 1.00 64.24 C ATOM 818 C PHE A 68 -8.863 -9.278 -6.450 1.00 32.43 C ATOM 819 O PHE A 68 -8.266 -10.209 -5.930 1.00 21.54 O ATOM 820 CB PHE A 68 -8.655 -6.869 -5.933 1.00 14.32 C ATOM 821 CG PHE A 68 -8.704 -7.163 -4.441 1.00 64.33 C ATOM 822 CD1 PHE A 68 -9.859 -7.680 -3.862 1.00 43.11 C ATOM 823 CD2 PHE A 68 -7.614 -6.935 -3.630 1.00 72.43 C ATOM 824 CE1 PHE A 68 -9.915 -7.962 -2.520 1.00 62.11 C ATOM 825 CE2 PHE A 68 -7.668 -7.213 -2.275 1.00 53.44 C ATOM 826 CZ PHE A 68 -8.818 -7.728 -1.721 1.00 74.22 C ATOM 0 H PHE A 68 -8.737 -6.755 -8.383 1.00 71.32 H new ATOM 0 HA PHE A 68 -7.069 -8.138 -6.647 1.00 64.24 H new ATOM 0 HB2 PHE A 68 -8.023 -5.996 -6.093 1.00 14.32 H new ATOM 0 HB3 PHE A 68 -9.658 -6.602 -6.266 1.00 14.32 H new ATOM 0 HD1 PHE A 68 -10.726 -7.862 -4.479 1.00 43.11 H new ATOM 0 HD2 PHE A 68 -6.706 -6.534 -4.057 1.00 72.43 H new ATOM 0 HE1 PHE A 68 -10.819 -8.367 -2.091 1.00 62.11 H new ATOM 0 HE2 PHE A 68 -6.806 -7.025 -1.651 1.00 53.44 H new ATOM 0 HZ PHE A 68 -8.860 -7.948 -0.664 1.00 74.22 H new ATOM 836 N LEU A 69 -10.157 -9.276 -6.716 1.00 54.51 N ATOM 837 CA LEU A 69 -11.035 -10.430 -6.470 1.00 12.52 C ATOM 838 C LEU A 69 -10.431 -11.708 -7.080 1.00 31.12 C ATOM 839 O LEU A 69 -10.414 -12.754 -6.435 1.00 33.02 O ATOM 840 CB LEU A 69 -12.469 -10.126 -7.004 1.00 4.12 C ATOM 841 CG LEU A 69 -13.661 -11.010 -6.537 1.00 61.23 C ATOM 842 CD1 LEU A 69 -13.608 -12.429 -7.083 1.00 4.25 C ATOM 843 CD2 LEU A 69 -13.750 -11.022 -5.020 1.00 40.23 C ATOM 0 H LEU A 69 -10.642 -8.471 -7.113 1.00 54.51 H new ATOM 0 HA LEU A 69 -11.118 -10.607 -5.398 1.00 12.52 H new ATOM 0 HB2 LEU A 69 -12.704 -9.095 -6.741 1.00 4.12 H new ATOM 0 HB3 LEU A 69 -12.431 -10.177 -8.092 1.00 4.12 H new ATOM 0 HG LEU A 69 -14.563 -10.558 -6.949 1.00 61.23 H new ATOM 0 HD11 LEU A 69 -14.468 -12.991 -6.719 1.00 4.25 H new ATOM 0 HD12 LEU A 69 -13.628 -12.401 -8.172 1.00 4.25 H new ATOM 0 HD13 LEU A 69 -12.690 -12.913 -6.749 1.00 4.25 H new ATOM 0 HD21 LEU A 69 -14.589 -11.645 -4.710 1.00 40.23 H new ATOM 0 HD22 LEU A 69 -12.826 -11.424 -4.605 1.00 40.23 H new ATOM 0 HD23 LEU A 69 -13.899 -10.005 -4.656 1.00 40.23 H new ATOM 855 N GLN A 70 -9.933 -11.605 -8.298 1.00 4.13 N ATOM 856 CA GLN A 70 -9.236 -12.685 -8.960 1.00 10.31 C ATOM 857 C GLN A 70 -8.037 -13.175 -8.146 1.00 60.44 C ATOM 858 O GLN A 70 -7.947 -14.359 -7.832 1.00 23.20 O ATOM 859 CB GLN A 70 -8.798 -12.264 -10.354 1.00 73.24 C ATOM 860 CG GLN A 70 -9.934 -12.110 -11.338 1.00 22.22 C ATOM 861 CD GLN A 70 -9.472 -11.839 -12.757 1.00 13.15 C ATOM 862 OE1 GLN A 70 -10.153 -12.214 -13.720 1.00 4.42 O ATOM 863 NE2 GLN A 70 -8.331 -11.232 -12.911 1.00 72.53 N ATOM 0 H GLN A 70 -10.004 -10.757 -8.860 1.00 4.13 H new ATOM 0 HA GLN A 70 -9.934 -13.518 -9.047 1.00 10.31 H new ATOM 0 HB2 GLN A 70 -8.261 -11.318 -10.284 1.00 73.24 H new ATOM 0 HB3 GLN A 70 -8.095 -13.002 -10.740 1.00 73.24 H new ATOM 0 HG2 GLN A 70 -10.538 -13.017 -11.328 1.00 22.22 H new ATOM 0 HG3 GLN A 70 -10.579 -11.294 -11.012 1.00 22.22 H new ATOM 0 HE21 GLN A 70 -7.796 -10.937 -12.094 1.00 72.53 H new ATOM 0 HE22 GLN A 70 -7.972 -11.052 -13.848 1.00 72.53 H new ATOM 872 N PHE A 71 -7.163 -12.261 -7.743 1.00 73.21 N ATOM 873 CA PHE A 71 -5.963 -12.640 -6.987 1.00 44.33 C ATOM 874 C PHE A 71 -6.367 -13.223 -5.630 1.00 73.12 C ATOM 875 O PHE A 71 -5.760 -14.169 -5.125 1.00 41.52 O ATOM 876 CB PHE A 71 -5.018 -11.446 -6.781 1.00 72.02 C ATOM 877 CG PHE A 71 -4.470 -10.828 -8.034 1.00 3.44 C ATOM 878 CD1 PHE A 71 -4.738 -9.509 -8.334 1.00 13.45 C ATOM 879 CD2 PHE A 71 -3.690 -11.563 -8.910 1.00 52.24 C ATOM 880 CE1 PHE A 71 -4.248 -8.928 -9.479 1.00 0.45 C ATOM 881 CE2 PHE A 71 -3.192 -10.986 -10.062 1.00 41.24 C ATOM 882 CZ PHE A 71 -3.472 -9.666 -10.347 1.00 44.24 C ATOM 0 H PHE A 71 -7.255 -11.261 -7.922 1.00 73.21 H new ATOM 0 HA PHE A 71 -5.428 -13.392 -7.567 1.00 44.33 H new ATOM 0 HB2 PHE A 71 -5.550 -10.677 -6.221 1.00 72.02 H new ATOM 0 HB3 PHE A 71 -4.182 -11.770 -6.162 1.00 72.02 H new ATOM 0 HD1 PHE A 71 -5.343 -8.923 -7.658 1.00 13.45 H new ATOM 0 HD2 PHE A 71 -3.469 -12.597 -8.691 1.00 52.24 H new ATOM 0 HE1 PHE A 71 -4.471 -7.894 -9.699 1.00 0.45 H new ATOM 0 HE2 PHE A 71 -2.584 -11.568 -10.739 1.00 41.24 H new ATOM 0 HZ PHE A 71 -3.085 -9.212 -11.247 1.00 44.24 H new ATOM 892 N PHE A 72 -7.403 -12.657 -5.078 1.00 71.35 N ATOM 893 CA PHE A 72 -8.002 -13.079 -3.838 1.00 65.35 C ATOM 894 C PHE A 72 -8.437 -14.541 -3.925 1.00 1.43 C ATOM 895 O PHE A 72 -7.959 -15.379 -3.161 1.00 44.32 O ATOM 896 CB PHE A 72 -9.184 -12.133 -3.528 1.00 64.03 C ATOM 897 CG PHE A 72 -10.213 -12.658 -2.583 1.00 33.41 C ATOM 898 CD1 PHE A 72 -10.033 -12.604 -1.226 1.00 14.32 C ATOM 899 CD2 PHE A 72 -11.376 -13.210 -3.082 1.00 3.31 C ATOM 900 CE1 PHE A 72 -10.999 -13.094 -0.376 1.00 13.44 C ATOM 901 CE2 PHE A 72 -12.342 -13.702 -2.246 1.00 3.53 C ATOM 902 CZ PHE A 72 -12.157 -13.646 -0.888 1.00 3.24 C ATOM 0 H PHE A 72 -7.875 -11.855 -5.496 1.00 71.35 H new ATOM 0 HA PHE A 72 -7.281 -13.020 -3.022 1.00 65.35 H new ATOM 0 HB2 PHE A 72 -8.783 -11.206 -3.119 1.00 64.03 H new ATOM 0 HB3 PHE A 72 -9.677 -11.880 -4.467 1.00 64.03 H new ATOM 0 HD1 PHE A 72 -9.129 -12.175 -0.821 1.00 14.32 H new ATOM 0 HD2 PHE A 72 -11.526 -13.254 -4.151 1.00 3.31 H new ATOM 0 HE1 PHE A 72 -10.851 -13.047 0.693 1.00 13.44 H new ATOM 0 HE2 PHE A 72 -13.245 -14.132 -2.654 1.00 3.53 H new ATOM 0 HZ PHE A 72 -12.914 -14.032 -0.222 1.00 3.24 H new ATOM 912 N ARG A 73 -9.263 -14.851 -4.913 1.00 1.35 N ATOM 913 CA ARG A 73 -9.793 -16.188 -5.080 1.00 65.13 C ATOM 914 C ARG A 73 -8.714 -17.168 -5.494 1.00 44.10 C ATOM 915 O ARG A 73 -8.830 -18.374 -5.252 1.00 42.11 O ATOM 916 CB ARG A 73 -11.004 -16.215 -6.034 1.00 43.32 C ATOM 917 CG ARG A 73 -10.749 -15.649 -7.425 1.00 61.40 C ATOM 918 CD ARG A 73 -12.027 -15.608 -8.238 1.00 74.51 C ATOM 919 NE ARG A 73 -11.868 -14.960 -9.555 1.00 21.33 N ATOM 920 CZ ARG A 73 -11.509 -15.577 -10.691 1.00 72.42 C ATOM 921 NH1 ARG A 73 -10.959 -16.783 -10.657 1.00 54.23 N ATOM 922 NH2 ARG A 73 -11.674 -14.955 -11.855 1.00 33.34 N ATOM 0 H ARG A 73 -9.581 -14.184 -5.616 1.00 1.35 H new ATOM 0 HA ARG A 73 -10.160 -16.513 -4.106 1.00 65.13 H new ATOM 0 HB2 ARG A 73 -11.343 -17.246 -6.136 1.00 43.32 H new ATOM 0 HB3 ARG A 73 -11.819 -15.655 -5.576 1.00 43.32 H new ATOM 0 HG2 ARG A 73 -10.334 -14.644 -7.342 1.00 61.40 H new ATOM 0 HG3 ARG A 73 -10.006 -16.259 -7.939 1.00 61.40 H new ATOM 0 HD2 ARG A 73 -12.388 -16.626 -8.384 1.00 74.51 H new ATOM 0 HD3 ARG A 73 -12.792 -15.077 -7.671 1.00 74.51 H new ATOM 0 HE ARG A 73 -12.046 -13.957 -9.606 1.00 21.33 H new ATOM 0 HH11 ARG A 73 -10.806 -17.249 -9.763 1.00 54.23 H new ATOM 0 HH12 ARG A 73 -10.689 -17.245 -11.525 1.00 54.23 H new ATOM 0 HH21 ARG A 73 -12.071 -14.016 -11.880 1.00 33.34 H new ATOM 0 HH22 ARG A 73 -11.404 -15.417 -12.723 1.00 33.34 H new ATOM 936 N GLN A 74 -7.656 -16.659 -6.099 1.00 72.34 N ATOM 937 CA GLN A 74 -6.542 -17.502 -6.454 1.00 34.12 C ATOM 938 C GLN A 74 -5.642 -17.793 -5.233 1.00 3.05 C ATOM 939 O GLN A 74 -4.833 -18.719 -5.256 1.00 42.32 O ATOM 940 CB GLN A 74 -5.744 -16.936 -7.631 1.00 31.14 C ATOM 941 CG GLN A 74 -6.545 -16.840 -8.922 1.00 74.02 C ATOM 942 CD GLN A 74 -5.736 -16.297 -10.080 1.00 23.21 C ATOM 943 OE1 GLN A 74 -5.683 -15.092 -10.302 1.00 30.33 O ATOM 944 NE2 GLN A 74 -5.123 -17.170 -10.835 1.00 54.24 N ATOM 0 H GLN A 74 -7.550 -15.676 -6.350 1.00 72.34 H new ATOM 0 HA GLN A 74 -6.954 -18.455 -6.787 1.00 34.12 H new ATOM 0 HB2 GLN A 74 -5.377 -15.944 -7.367 1.00 31.14 H new ATOM 0 HB3 GLN A 74 -4.870 -17.564 -7.802 1.00 31.14 H new ATOM 0 HG2 GLN A 74 -6.924 -17.828 -9.182 1.00 74.02 H new ATOM 0 HG3 GLN A 74 -7.411 -16.199 -8.759 1.00 74.02 H new ATOM 0 HE21 GLN A 74 -5.189 -18.165 -10.621 1.00 54.24 H new ATOM 0 HE22 GLN A 74 -4.579 -16.856 -11.639 1.00 54.24 H new ATOM 953 N GLY A 75 -5.806 -17.018 -4.160 1.00 54.24 N ATOM 954 CA GLY A 75 -5.062 -17.276 -2.938 1.00 44.23 C ATOM 955 C GLY A 75 -3.875 -16.369 -2.721 1.00 41.33 C ATOM 956 O GLY A 75 -3.041 -16.636 -1.854 1.00 54.21 O ATOM 0 H GLY A 75 -6.439 -16.219 -4.116 1.00 54.24 H new ATOM 0 HA2 GLY A 75 -5.738 -17.177 -2.089 1.00 44.23 H new ATOM 0 HA3 GLY A 75 -4.715 -18.309 -2.951 1.00 44.23 H new ATOM 960 N LEU A 76 -3.807 -15.293 -3.466 1.00 12.32 N ATOM 961 CA LEU A 76 -2.683 -14.355 -3.383 1.00 21.31 C ATOM 962 C LEU A 76 -2.650 -13.603 -2.059 1.00 51.40 C ATOM 963 O LEU A 76 -1.602 -13.463 -1.446 1.00 31.11 O ATOM 964 CB LEU A 76 -2.720 -13.335 -4.538 1.00 45.54 C ATOM 965 CG LEU A 76 -2.208 -13.765 -5.935 1.00 53.14 C ATOM 966 CD1 LEU A 76 -0.710 -14.019 -5.913 1.00 74.12 C ATOM 967 CD2 LEU A 76 -2.929 -14.994 -6.464 1.00 1.21 C ATOM 0 H LEU A 76 -4.519 -15.032 -4.148 1.00 12.32 H new ATOM 0 HA LEU A 76 -1.780 -14.961 -3.457 1.00 21.31 H new ATOM 0 HB2 LEU A 76 -3.753 -13.005 -4.653 1.00 45.54 H new ATOM 0 HB3 LEU A 76 -2.140 -12.466 -4.228 1.00 45.54 H new ATOM 0 HG LEU A 76 -2.423 -12.936 -6.610 1.00 53.14 H new ATOM 0 HD11 LEU A 76 -0.377 -14.319 -6.907 1.00 74.12 H new ATOM 0 HD12 LEU A 76 -0.191 -13.108 -5.617 1.00 74.12 H new ATOM 0 HD13 LEU A 76 -0.486 -14.812 -5.200 1.00 74.12 H new ATOM 0 HD21 LEU A 76 -2.533 -15.254 -7.446 1.00 1.21 H new ATOM 0 HD22 LEU A 76 -2.777 -15.828 -5.779 1.00 1.21 H new ATOM 0 HD23 LEU A 76 -3.995 -14.783 -6.547 1.00 1.21 H new ATOM 979 N PHE A 77 -3.800 -13.159 -1.595 1.00 53.25 N ATOM 980 CA PHE A 77 -3.841 -12.305 -0.414 1.00 71.11 C ATOM 981 C PHE A 77 -4.025 -13.089 0.862 1.00 70.34 C ATOM 982 O PHE A 77 -4.139 -12.510 1.926 1.00 75.20 O ATOM 983 CB PHE A 77 -4.918 -11.232 -0.547 1.00 1.01 C ATOM 984 CG PHE A 77 -4.759 -10.390 -1.774 1.00 4.51 C ATOM 985 CD1 PHE A 77 -3.652 -9.576 -1.935 1.00 2.23 C ATOM 986 CD2 PHE A 77 -5.710 -10.420 -2.769 1.00 31.45 C ATOM 987 CE1 PHE A 77 -3.503 -8.811 -3.070 1.00 43.02 C ATOM 988 CE2 PHE A 77 -5.569 -9.658 -3.900 1.00 40.51 C ATOM 989 CZ PHE A 77 -4.464 -8.853 -4.054 1.00 12.22 C ATOM 0 H PHE A 77 -4.709 -13.368 -2.007 1.00 53.25 H new ATOM 0 HA PHE A 77 -2.869 -11.816 -0.351 1.00 71.11 H new ATOM 0 HB2 PHE A 77 -5.898 -11.709 -0.566 1.00 1.01 H new ATOM 0 HB3 PHE A 77 -4.893 -10.589 0.333 1.00 1.01 H new ATOM 0 HD1 PHE A 77 -2.898 -9.540 -1.163 1.00 2.23 H new ATOM 0 HD2 PHE A 77 -6.579 -11.052 -2.657 1.00 31.45 H new ATOM 0 HE1 PHE A 77 -2.635 -8.180 -3.188 1.00 43.02 H new ATOM 0 HE2 PHE A 77 -6.325 -9.690 -4.670 1.00 40.51 H new ATOM 0 HZ PHE A 77 -4.351 -8.255 -4.946 1.00 12.22 H new ATOM 999 N LYS A 78 -3.981 -14.404 0.764 1.00 23.10 N ATOM 1000 CA LYS A 78 -4.158 -15.266 1.933 1.00 51.41 C ATOM 1001 C LYS A 78 -3.012 -15.135 2.923 1.00 75.22 C ATOM 1002 O LYS A 78 -3.102 -15.582 4.065 1.00 23.45 O ATOM 1003 CB LYS A 78 -4.400 -16.719 1.534 1.00 45.13 C ATOM 1004 CG LYS A 78 -5.710 -16.913 0.798 1.00 70.14 C ATOM 1005 CD LYS A 78 -5.989 -18.367 0.499 1.00 40.13 C ATOM 1006 CE LYS A 78 -7.322 -18.513 -0.205 1.00 44.43 C ATOM 1007 NZ LYS A 78 -7.654 -19.914 -0.471 1.00 12.33 N ATOM 0 H LYS A 78 -3.825 -14.906 -0.110 1.00 23.10 H new ATOM 0 HA LYS A 78 -5.055 -14.919 2.445 1.00 51.41 H new ATOM 0 HB2 LYS A 78 -3.579 -17.060 0.903 1.00 45.13 H new ATOM 0 HB3 LYS A 78 -4.394 -17.343 2.428 1.00 45.13 H new ATOM 0 HG2 LYS A 78 -6.524 -16.505 1.396 1.00 70.14 H new ATOM 0 HG3 LYS A 78 -5.687 -16.350 -0.135 1.00 70.14 H new ATOM 0 HD2 LYS A 78 -5.194 -18.776 -0.125 1.00 40.13 H new ATOM 0 HD3 LYS A 78 -5.995 -18.941 1.425 1.00 40.13 H new ATOM 0 HE2 LYS A 78 -8.105 -18.065 0.406 1.00 44.43 H new ATOM 0 HE3 LYS A 78 -7.297 -17.962 -1.145 1.00 44.43 H new ATOM 0 HZ1 LYS A 78 -8.574 -19.967 -0.954 1.00 12.33 H new ATOM 0 HZ2 LYS A 78 -6.921 -20.336 -1.076 1.00 12.33 H new ATOM 0 HZ3 LYS A 78 -7.704 -20.436 0.427 1.00 12.33 H new ATOM 1021 N LYS A 79 -1.933 -14.525 2.483 1.00 34.30 N ATOM 1022 CA LYS A 79 -0.777 -14.304 3.331 1.00 54.11 C ATOM 1023 C LYS A 79 -1.061 -13.125 4.268 1.00 45.11 C ATOM 1024 O LYS A 79 -0.584 -13.086 5.406 1.00 3.41 O ATOM 1025 CB LYS A 79 0.460 -14.000 2.476 1.00 13.15 C ATOM 1026 CG LYS A 79 0.646 -14.922 1.273 1.00 10.54 C ATOM 1027 CD LYS A 79 0.772 -16.387 1.662 1.00 45.14 C ATOM 1028 CE LYS A 79 0.845 -17.251 0.418 1.00 41.31 C ATOM 1029 NZ LYS A 79 0.888 -18.693 0.729 1.00 41.35 N ATOM 0 H LYS A 79 -1.830 -14.169 1.533 1.00 34.30 H new ATOM 0 HA LYS A 79 -0.583 -15.203 3.916 1.00 54.11 H new ATOM 0 HB2 LYS A 79 0.396 -12.971 2.122 1.00 13.15 H new ATOM 0 HB3 LYS A 79 1.346 -14.065 3.107 1.00 13.15 H new ATOM 0 HG2 LYS A 79 -0.200 -14.803 0.596 1.00 10.54 H new ATOM 0 HG3 LYS A 79 1.538 -14.619 0.724 1.00 10.54 H new ATOM 0 HD2 LYS A 79 1.665 -16.535 2.270 1.00 45.14 H new ATOM 0 HD3 LYS A 79 -0.081 -16.684 2.271 1.00 45.14 H new ATOM 0 HE2 LYS A 79 -0.019 -17.045 -0.214 1.00 41.31 H new ATOM 0 HE3 LYS A 79 1.731 -16.981 -0.156 1.00 41.31 H new ATOM 0 HZ1 LYS A 79 0.937 -19.238 -0.156 1.00 41.35 H new ATOM 0 HZ2 LYS A 79 1.726 -18.898 1.309 1.00 41.35 H new ATOM 0 HZ3 LYS A 79 0.031 -18.961 1.253 1.00 41.35 H new ATOM 1043 N LEU A 80 -1.930 -12.229 3.804 1.00 34.22 N ATOM 1044 CA LEU A 80 -2.292 -11.000 4.506 1.00 15.23 C ATOM 1045 C LEU A 80 -3.154 -11.337 5.721 1.00 15.45 C ATOM 1046 O LEU A 80 -3.270 -10.558 6.669 1.00 2.23 O ATOM 1047 CB LEU A 80 -3.017 -10.053 3.494 1.00 32.24 C ATOM 1048 CG LEU A 80 -3.435 -8.620 3.925 1.00 3.40 C ATOM 1049 CD1 LEU A 80 -3.713 -7.800 2.686 1.00 60.53 C ATOM 1050 CD2 LEU A 80 -4.705 -8.625 4.776 1.00 22.32 C ATOM 0 H LEU A 80 -2.412 -12.340 2.912 1.00 34.22 H new ATOM 0 HA LEU A 80 -1.409 -10.483 4.882 1.00 15.23 H new ATOM 0 HB2 LEU A 80 -2.368 -9.952 2.624 1.00 32.24 H new ATOM 0 HB3 LEU A 80 -3.919 -10.566 3.161 1.00 32.24 H new ATOM 0 HG LEU A 80 -2.620 -8.201 4.516 1.00 3.40 H new ATOM 0 HD11 LEU A 80 -4.008 -6.791 2.976 1.00 60.53 H new ATOM 0 HD12 LEU A 80 -2.814 -7.753 2.071 1.00 60.53 H new ATOM 0 HD13 LEU A 80 -4.518 -8.264 2.116 1.00 60.53 H new ATOM 0 HD21 LEU A 80 -4.960 -7.603 5.055 1.00 22.32 H new ATOM 0 HD22 LEU A 80 -5.524 -9.061 4.204 1.00 22.32 H new ATOM 0 HD23 LEU A 80 -4.537 -9.215 5.677 1.00 22.32 H new ATOM 1062 N LYS A 81 -3.704 -12.532 5.727 1.00 44.14 N ATOM 1063 CA LYS A 81 -4.537 -12.971 6.826 1.00 44.02 C ATOM 1064 C LYS A 81 -3.681 -13.149 8.093 1.00 43.15 C ATOM 1065 O LYS A 81 -4.189 -13.064 9.216 1.00 13.31 O ATOM 1066 CB LYS A 81 -5.259 -14.275 6.460 1.00 75.10 C ATOM 1067 CG LYS A 81 -6.354 -14.690 7.445 1.00 1.51 C ATOM 1068 CD LYS A 81 -7.124 -15.917 6.962 1.00 2.45 C ATOM 1069 CE LYS A 81 -6.251 -17.163 6.910 1.00 1.34 C ATOM 1070 NZ LYS A 81 -5.756 -17.540 8.244 1.00 12.10 N ATOM 0 H LYS A 81 -3.589 -13.218 4.981 1.00 44.14 H new ATOM 0 HA LYS A 81 -5.294 -12.213 7.026 1.00 44.02 H new ATOM 0 HB2 LYS A 81 -5.701 -14.166 5.470 1.00 75.10 H new ATOM 0 HB3 LYS A 81 -4.524 -15.077 6.394 1.00 75.10 H new ATOM 0 HG2 LYS A 81 -5.907 -14.902 8.416 1.00 1.51 H new ATOM 0 HG3 LYS A 81 -7.047 -13.860 7.588 1.00 1.51 H new ATOM 0 HD2 LYS A 81 -7.970 -16.096 7.625 1.00 2.45 H new ATOM 0 HD3 LYS A 81 -7.532 -15.720 5.971 1.00 2.45 H new ATOM 0 HE2 LYS A 81 -6.822 -17.990 6.487 1.00 1.34 H new ATOM 0 HE3 LYS A 81 -5.406 -16.987 6.245 1.00 1.34 H new ATOM 0 HZ1 LYS A 81 -5.356 -18.499 8.208 1.00 12.10 H new ATOM 0 HZ2 LYS A 81 -5.020 -16.869 8.544 1.00 12.10 H new ATOM 0 HZ3 LYS A 81 -6.542 -17.518 8.925 1.00 12.10 H new ATOM 1084 N ASP A 82 -2.370 -13.334 7.894 1.00 11.41 N ATOM 1085 CA ASP A 82 -1.432 -13.542 9.001 1.00 73.14 C ATOM 1086 C ASP A 82 -0.690 -12.242 9.286 1.00 62.44 C ATOM 1087 O ASP A 82 0.217 -12.205 10.113 1.00 34.33 O ATOM 1088 CB ASP A 82 -0.352 -14.597 8.653 1.00 31.13 C ATOM 1089 CG ASP A 82 -0.856 -15.909 8.085 1.00 45.30 C ATOM 1090 OD1 ASP A 82 -0.505 -16.238 6.928 1.00 0.23 O ATOM 1091 OD2 ASP A 82 -1.583 -16.651 8.773 1.00 33.53 O ATOM 0 H ASP A 82 -1.935 -13.344 6.972 1.00 11.41 H new ATOM 0 HA ASP A 82 -2.018 -13.881 9.855 1.00 73.14 H new ATOM 0 HB2 ASP A 82 0.339 -14.156 7.935 1.00 31.13 H new ATOM 0 HB3 ASP A 82 0.220 -14.812 9.555 1.00 31.13 H new ATOM 1096 N ALA A 83 -1.068 -11.190 8.599 1.00 60.12 N ATOM 1097 CA ALA A 83 -0.357 -9.924 8.675 1.00 13.23 C ATOM 1098 C ALA A 83 -0.629 -9.157 9.942 1.00 0.52 C ATOM 1099 O ALA A 83 -1.746 -9.156 10.467 1.00 44.24 O ATOM 1100 CB ALA A 83 -0.641 -9.062 7.460 1.00 50.34 C ATOM 0 H ALA A 83 -1.873 -11.181 7.973 1.00 60.12 H new ATOM 0 HA ALA A 83 0.702 -10.180 8.690 1.00 13.23 H new ATOM 0 HB1 ALA A 83 -0.096 -8.122 7.545 1.00 50.34 H new ATOM 0 HB2 ALA A 83 -0.322 -9.586 6.559 1.00 50.34 H new ATOM 0 HB3 ALA A 83 -1.710 -8.857 7.401 1.00 50.34 H new ATOM 1106 N GLU A 84 0.396 -8.511 10.430 1.00 41.11 N ATOM 1107 CA GLU A 84 0.288 -7.660 11.578 1.00 44.20 C ATOM 1108 C GLU A 84 -0.061 -6.275 11.132 1.00 1.02 C ATOM 1109 O GLU A 84 0.458 -5.802 10.111 1.00 62.43 O ATOM 1110 CB GLU A 84 1.611 -7.536 12.334 1.00 1.22 C ATOM 1111 CG GLU A 84 2.114 -8.760 13.049 1.00 2.20 C ATOM 1112 CD GLU A 84 3.376 -8.439 13.818 1.00 25.43 C ATOM 1113 OE1 GLU A 84 3.328 -7.583 14.726 1.00 63.42 O ATOM 1114 OE2 GLU A 84 4.445 -9.042 13.544 1.00 74.50 O ATOM 0 H GLU A 84 1.336 -8.563 10.037 1.00 41.11 H new ATOM 0 HA GLU A 84 -0.469 -8.102 12.225 1.00 44.20 H new ATOM 0 HB2 GLU A 84 2.377 -7.221 11.625 1.00 1.22 H new ATOM 0 HB3 GLU A 84 1.507 -6.736 13.067 1.00 1.22 H new ATOM 0 HG2 GLU A 84 1.349 -9.131 13.731 1.00 2.20 H new ATOM 0 HG3 GLU A 84 2.311 -9.554 12.329 1.00 2.20 H new ATOM 1121 N PHE A 85 -0.935 -5.637 11.860 1.00 40.54 N ATOM 1122 CA PHE A 85 -1.154 -4.235 11.686 1.00 65.34 C ATOM 1123 C PHE A 85 0.039 -3.579 12.356 1.00 14.53 C ATOM 1124 O PHE A 85 0.172 -3.629 13.591 1.00 43.11 O ATOM 1125 CB PHE A 85 -2.481 -3.824 12.356 1.00 63.22 C ATOM 1126 CG PHE A 85 -2.808 -2.353 12.293 1.00 12.13 C ATOM 1127 CD1 PHE A 85 -3.299 -1.787 11.131 1.00 45.35 C ATOM 1128 CD2 PHE A 85 -2.643 -1.545 13.406 1.00 20.33 C ATOM 1129 CE1 PHE A 85 -3.618 -0.446 11.080 1.00 61.53 C ATOM 1130 CE2 PHE A 85 -2.954 -0.205 13.360 1.00 34.15 C ATOM 1131 CZ PHE A 85 -3.443 0.346 12.195 1.00 43.13 C ATOM 0 H PHE A 85 -1.508 -6.072 12.583 1.00 40.54 H new ATOM 0 HA PHE A 85 -1.237 -3.939 10.640 1.00 65.34 H new ATOM 0 HB2 PHE A 85 -3.293 -4.380 11.887 1.00 63.22 H new ATOM 0 HB3 PHE A 85 -2.450 -4.128 13.402 1.00 63.22 H new ATOM 0 HD1 PHE A 85 -3.434 -2.402 10.253 1.00 45.35 H new ATOM 0 HD2 PHE A 85 -2.265 -1.973 14.323 1.00 20.33 H new ATOM 0 HE1 PHE A 85 -4.005 -0.017 10.167 1.00 61.53 H new ATOM 0 HE2 PHE A 85 -2.815 0.413 14.235 1.00 34.15 H new ATOM 0 HZ PHE A 85 -3.689 1.397 12.156 1.00 43.13 H new ATOM 1300 N GLU A 97 -7.049 14.653 7.206 1.00 41.33 N ATOM 1301 CA GLU A 97 -6.574 13.365 7.680 1.00 22.22 C ATOM 1302 C GLU A 97 -6.564 12.298 6.614 1.00 40.15 C ATOM 1303 O GLU A 97 -7.595 11.969 6.014 1.00 1.13 O ATOM 1304 CB GLU A 97 -7.369 12.874 8.882 1.00 64.01 C ATOM 1305 CG GLU A 97 -7.161 13.687 10.134 1.00 35.23 C ATOM 1306 CD GLU A 97 -7.928 13.145 11.313 1.00 2.03 C ATOM 1307 OE1 GLU A 97 -8.537 13.933 12.043 1.00 0.52 O ATOM 1308 OE2 GLU A 97 -7.932 11.909 11.524 1.00 31.32 O ATOM 0 HA GLU A 97 -5.541 13.540 7.979 1.00 22.22 H new ATOM 0 HB2 GLU A 97 -8.429 12.881 8.630 1.00 64.01 H new ATOM 0 HB3 GLU A 97 -7.097 11.838 9.085 1.00 64.01 H new ATOM 0 HG2 GLU A 97 -6.098 13.709 10.376 1.00 35.23 H new ATOM 0 HG3 GLU A 97 -7.467 14.717 9.949 1.00 35.23 H new ATOM 1315 N GLY A 98 -5.395 11.794 6.373 1.00 33.33 N ATOM 1316 CA GLY A 98 -5.220 10.709 5.496 1.00 14.41 C ATOM 1317 C GLY A 98 -4.659 9.582 6.284 1.00 4.03 C ATOM 1318 O GLY A 98 -3.797 9.793 7.143 1.00 5.41 O ATOM 0 H GLY A 98 -4.531 12.138 6.792 1.00 33.33 H new ATOM 0 HA2 GLY A 98 -6.170 10.425 5.044 1.00 14.41 H new ATOM 0 HA3 GLY A 98 -4.548 10.979 4.682 1.00 14.41 H new ATOM 1322 N TYR A 99 -5.137 8.415 6.050 1.00 20.31 N ATOM 1323 CA TYR A 99 -4.679 7.283 6.793 1.00 71.31 C ATOM 1324 C TYR A 99 -3.907 6.408 5.889 1.00 5.42 C ATOM 1325 O TYR A 99 -4.369 6.069 4.792 1.00 41.13 O ATOM 1326 CB TYR A 99 -5.834 6.512 7.425 1.00 2.22 C ATOM 1327 CG TYR A 99 -6.747 7.392 8.228 1.00 14.23 C ATOM 1328 CD1 TYR A 99 -6.342 7.944 9.437 1.00 71.41 C ATOM 1329 CD2 TYR A 99 -8.004 7.691 7.760 1.00 34.20 C ATOM 1330 CE1 TYR A 99 -7.180 8.776 10.148 1.00 33.32 C ATOM 1331 CE2 TYR A 99 -8.846 8.503 8.452 1.00 25.03 C ATOM 1332 CZ TYR A 99 -8.434 9.054 9.656 1.00 52.02 C ATOM 1333 OH TYR A 99 -9.273 9.900 10.356 1.00 30.23 O ATOM 0 H TYR A 99 -5.849 8.211 5.348 1.00 20.31 H new ATOM 0 HA TYR A 99 -4.048 7.632 7.610 1.00 71.31 H new ATOM 0 HB2 TYR A 99 -6.408 6.019 6.641 1.00 2.22 H new ATOM 0 HB3 TYR A 99 -5.434 5.728 8.068 1.00 2.22 H new ATOM 0 HD1 TYR A 99 -5.359 7.719 9.824 1.00 71.41 H new ATOM 0 HD2 TYR A 99 -8.330 7.271 6.820 1.00 34.20 H new ATOM 0 HE1 TYR A 99 -6.855 9.206 11.084 1.00 33.32 H new ATOM 0 HE2 TYR A 99 -9.831 8.718 8.066 1.00 25.03 H new ATOM 0 HH TYR A 99 -8.739 10.498 10.919 1.00 30.23 H new ATOM 1343 N LYS A 100 -2.741 6.099 6.296 1.00 72.23 N ATOM 1344 CA LYS A 100 -1.874 5.263 5.568 1.00 60.21 C ATOM 1345 C LYS A 100 -1.533 4.130 6.500 1.00 34.34 C ATOM 1346 O LYS A 100 -0.734 4.281 7.431 1.00 51.55 O ATOM 1347 CB LYS A 100 -0.648 6.093 5.110 1.00 15.01 C ATOM 1348 CG LYS A 100 0.296 5.425 4.116 1.00 20.21 C ATOM 1349 CD LYS A 100 1.301 4.506 4.778 1.00 23.41 C ATOM 1350 CE LYS A 100 2.211 3.886 3.740 1.00 62.22 C ATOM 1351 NZ LYS A 100 3.315 3.132 4.347 1.00 55.44 N ATOM 0 H LYS A 100 -2.349 6.432 7.177 1.00 72.23 H new ATOM 0 HA LYS A 100 -2.309 4.854 4.656 1.00 60.21 H new ATOM 0 HB2 LYS A 100 -1.011 7.020 4.665 1.00 15.01 H new ATOM 0 HB3 LYS A 100 -0.073 6.368 5.994 1.00 15.01 H new ATOM 0 HG2 LYS A 100 -0.289 4.854 3.395 1.00 20.21 H new ATOM 0 HG3 LYS A 100 0.829 6.194 3.557 1.00 20.21 H new ATOM 0 HD2 LYS A 100 1.893 5.065 5.503 1.00 23.41 H new ATOM 0 HD3 LYS A 100 0.780 3.723 5.329 1.00 23.41 H new ATOM 0 HE2 LYS A 100 1.629 3.223 3.100 1.00 62.22 H new ATOM 0 HE3 LYS A 100 2.617 4.670 3.101 1.00 62.22 H new ATOM 0 HZ1 LYS A 100 3.778 2.550 3.621 1.00 55.44 H new ATOM 0 HZ2 LYS A 100 4.006 3.795 4.752 1.00 55.44 H new ATOM 0 HZ3 LYS A 100 2.943 2.517 5.099 1.00 55.44 H new ATOM 1365 N LEU A 101 -2.217 3.048 6.319 1.00 24.54 N ATOM 1366 CA LEU A 101 -2.109 1.922 7.203 1.00 14.34 C ATOM 1367 C LEU A 101 -1.411 0.809 6.487 1.00 42.34 C ATOM 1368 O LEU A 101 -1.673 0.585 5.316 1.00 0.23 O ATOM 1369 CB LEU A 101 -3.509 1.476 7.635 1.00 42.04 C ATOM 1370 CG LEU A 101 -4.389 2.556 8.287 1.00 53.53 C ATOM 1371 CD1 LEU A 101 -5.765 2.009 8.607 1.00 41.32 C ATOM 1372 CD2 LEU A 101 -3.731 3.113 9.543 1.00 11.44 C ATOM 0 H LEU A 101 -2.873 2.914 5.549 1.00 24.54 H new ATOM 0 HA LEU A 101 -1.538 2.196 8.090 1.00 14.34 H new ATOM 0 HB2 LEU A 101 -4.032 1.089 6.760 1.00 42.04 H new ATOM 0 HB3 LEU A 101 -3.405 0.648 8.336 1.00 42.04 H new ATOM 0 HG LEU A 101 -4.501 3.371 7.572 1.00 53.53 H new ATOM 0 HD11 LEU A 101 -6.369 2.791 9.067 1.00 41.32 H new ATOM 0 HD12 LEU A 101 -6.245 1.673 7.688 1.00 41.32 H new ATOM 0 HD13 LEU A 101 -5.672 1.170 9.296 1.00 41.32 H new ATOM 0 HD21 LEU A 101 -4.374 3.875 9.984 1.00 11.44 H new ATOM 0 HD22 LEU A 101 -3.578 2.308 10.261 1.00 11.44 H new ATOM 0 HD23 LEU A 101 -2.769 3.556 9.284 1.00 11.44 H new ATOM 1384 N VAL A 102 -0.532 0.125 7.160 1.00 42.22 N ATOM 1385 CA VAL A 102 0.202 -0.923 6.536 1.00 33.14 C ATOM 1386 C VAL A 102 0.232 -2.185 7.395 1.00 72.33 C ATOM 1387 O VAL A 102 0.330 -2.131 8.632 1.00 44.50 O ATOM 1388 CB VAL A 102 1.638 -0.472 6.124 1.00 54.53 C ATOM 1389 CG1 VAL A 102 2.468 -0.067 7.328 1.00 32.11 C ATOM 1390 CG2 VAL A 102 2.343 -1.547 5.312 1.00 24.33 C ATOM 0 H VAL A 102 -0.310 0.279 8.143 1.00 42.22 H new ATOM 0 HA VAL A 102 -0.328 -1.171 5.616 1.00 33.14 H new ATOM 0 HB VAL A 102 1.529 0.409 5.492 1.00 54.53 H new ATOM 0 HG11 VAL A 102 3.461 0.240 6.999 1.00 32.11 H new ATOM 0 HG12 VAL A 102 1.983 0.763 7.842 1.00 32.11 H new ATOM 0 HG13 VAL A 102 2.557 -0.913 8.009 1.00 32.11 H new ATOM 0 HG21 VAL A 102 3.341 -1.202 5.040 1.00 24.33 H new ATOM 0 HG22 VAL A 102 2.423 -2.458 5.906 1.00 24.33 H new ATOM 0 HG23 VAL A 102 1.771 -1.753 4.407 1.00 24.33 H new ATOM 1400 N TRP A 103 0.066 -3.289 6.732 1.00 34.51 N ATOM 1401 CA TRP A 103 0.121 -4.591 7.318 1.00 34.21 C ATOM 1402 C TRP A 103 1.307 -5.286 6.760 1.00 4.43 C ATOM 1403 O TRP A 103 1.654 -5.076 5.595 1.00 63.21 O ATOM 1404 CB TRP A 103 -1.146 -5.396 7.005 1.00 2.51 C ATOM 1405 CG TRP A 103 -2.373 -4.800 7.591 1.00 74.11 C ATOM 1406 CD1 TRP A 103 -2.983 -5.171 8.744 1.00 52.21 C ATOM 1407 CD2 TRP A 103 -3.124 -3.710 7.066 1.00 22.20 C ATOM 1408 NE1 TRP A 103 -4.068 -4.374 8.973 1.00 31.10 N ATOM 1409 CE2 TRP A 103 -4.171 -3.467 7.951 1.00 54.11 C ATOM 1410 CE3 TRP A 103 -3.005 -2.913 5.929 1.00 13.31 C ATOM 1411 CZ2 TRP A 103 -5.086 -2.461 7.737 1.00 24.14 C ATOM 1412 CZ3 TRP A 103 -3.909 -1.921 5.720 1.00 42.01 C ATOM 1413 CH2 TRP A 103 -4.936 -1.698 6.615 1.00 31.03 C ATOM 0 H TRP A 103 -0.119 -3.307 5.729 1.00 34.51 H new ATOM 0 HA TRP A 103 0.193 -4.501 8.402 1.00 34.21 H new ATOM 0 HB2 TRP A 103 -1.265 -5.469 5.924 1.00 2.51 H new ATOM 0 HB3 TRP A 103 -1.027 -6.412 7.382 1.00 2.51 H new ATOM 0 HD1 TRP A 103 -2.659 -5.977 9.386 1.00 52.21 H new ATOM 0 HE1 TRP A 103 -4.698 -4.443 9.773 1.00 31.10 H new ATOM 0 HE3 TRP A 103 -2.205 -3.082 5.224 1.00 13.31 H new ATOM 0 HZ2 TRP A 103 -5.893 -2.282 8.432 1.00 24.14 H new ATOM 0 HZ3 TRP A 103 -3.823 -1.298 4.842 1.00 42.01 H new ATOM 0 HH2 TRP A 103 -5.638 -0.900 6.423 1.00 31.03 H new ATOM 1424 N LYS A 104 1.946 -6.059 7.570 1.00 63.13 N ATOM 1425 CA LYS A 104 3.108 -6.793 7.155 1.00 3.25 C ATOM 1426 C LYS A 104 2.861 -8.227 7.483 1.00 64.30 C ATOM 1427 O LYS A 104 2.550 -8.553 8.634 1.00 21.42 O ATOM 1428 CB LYS A 104 4.338 -6.328 7.920 1.00 3.21 C ATOM 1429 CG LYS A 104 4.561 -4.826 7.924 1.00 74.44 C ATOM 1430 CD LYS A 104 5.674 -4.479 8.875 1.00 20.14 C ATOM 1431 CE LYS A 104 7.079 -4.729 8.310 1.00 53.44 C ATOM 1432 NZ LYS A 104 7.532 -3.644 7.394 1.00 63.12 N ATOM 0 H LYS A 104 1.682 -6.205 8.544 1.00 63.13 H new ATOM 0 HA LYS A 104 3.283 -6.641 6.090 1.00 3.25 H new ATOM 0 HB2 LYS A 104 4.257 -6.671 8.951 1.00 3.21 H new ATOM 0 HB3 LYS A 104 5.217 -6.810 7.492 1.00 3.21 H new ATOM 0 HG2 LYS A 104 4.808 -4.483 6.919 1.00 74.44 H new ATOM 0 HG3 LYS A 104 3.645 -4.314 8.219 1.00 74.44 H new ATOM 0 HD2 LYS A 104 5.587 -3.428 9.152 1.00 20.14 H new ATOM 0 HD3 LYS A 104 5.552 -5.061 9.789 1.00 20.14 H new ATOM 0 HE2 LYS A 104 7.786 -4.822 9.134 1.00 53.44 H new ATOM 0 HE3 LYS A 104 7.087 -5.678 7.774 1.00 53.44 H new ATOM 0 HZ1 LYS A 104 7.495 -3.982 6.411 1.00 63.12 H new ATOM 0 HZ2 LYS A 104 6.909 -2.818 7.500 1.00 63.12 H new ATOM 0 HZ3 LYS A 104 8.508 -3.374 7.631 1.00 63.12 H new ATOM 1446 N SER A 105 2.958 -9.061 6.516 1.00 23.51 N ATOM 1447 CA SER A 105 2.741 -10.469 6.700 1.00 14.43 C ATOM 1448 C SER A 105 3.988 -11.146 7.242 1.00 40.13 C ATOM 1449 O SER A 105 5.026 -10.481 7.439 1.00 2.32 O ATOM 1450 CB SER A 105 2.285 -11.088 5.404 1.00 2.03 C ATOM 1451 OG SER A 105 1.117 -10.438 4.944 1.00 52.41 O ATOM 0 H SER A 105 3.192 -8.795 5.560 1.00 23.51 H new ATOM 0 HA SER A 105 1.955 -10.614 7.441 1.00 14.43 H new ATOM 0 HB2 SER A 105 3.074 -11.009 4.656 1.00 2.03 H new ATOM 0 HB3 SER A 105 2.088 -12.150 5.548 1.00 2.03 H new ATOM 0 HG SER A 105 1.226 -10.199 4.000 1.00 52.41 H new ATOM 1640 N TRP A 117 8.864 -10.294 2.696 1.00 23.01 N ATOM 1641 CA TRP A 117 7.533 -10.368 3.237 1.00 34.31 C ATOM 1642 C TRP A 117 6.587 -9.644 2.310 1.00 65.41 C ATOM 1643 O TRP A 117 7.010 -9.058 1.318 1.00 64.41 O ATOM 1644 CB TRP A 117 7.471 -9.765 4.661 1.00 64.40 C ATOM 1645 CG TRP A 117 8.001 -8.362 4.772 1.00 65.51 C ATOM 1646 CD1 TRP A 117 7.409 -7.231 4.331 1.00 3.43 C ATOM 1647 CD2 TRP A 117 9.226 -7.959 5.389 1.00 5.40 C ATOM 1648 NE1 TRP A 117 8.185 -6.143 4.624 1.00 24.43 N ATOM 1649 CE2 TRP A 117 9.310 -6.563 5.272 1.00 73.13 C ATOM 1650 CE3 TRP A 117 10.258 -8.643 6.024 1.00 53.03 C ATOM 1651 CZ2 TRP A 117 10.387 -5.839 5.771 1.00 42.41 C ATOM 1652 CZ3 TRP A 117 11.323 -7.926 6.519 1.00 13.21 C ATOM 1653 CH2 TRP A 117 11.381 -6.541 6.388 1.00 2.25 C ATOM 0 HA TRP A 117 7.239 -11.415 3.317 1.00 34.31 H new ATOM 0 HB2 TRP A 117 6.435 -9.776 5.001 1.00 64.40 H new ATOM 0 HB3 TRP A 117 8.035 -10.407 5.338 1.00 64.40 H new ATOM 0 HD1 TRP A 117 6.458 -7.191 3.820 1.00 3.43 H new ATOM 0 HE1 TRP A 117 7.959 -5.175 4.395 1.00 24.43 H new ATOM 0 HE3 TRP A 117 10.224 -9.718 6.127 1.00 53.03 H new ATOM 0 HZ2 TRP A 117 10.435 -4.764 5.674 1.00 42.41 H new ATOM 0 HZ3 TRP A 117 12.127 -8.446 7.018 1.00 13.21 H new ATOM 0 HH2 TRP A 117 12.234 -6.010 6.784 1.00 2.25 H new ATOM 1664 N ASP A 118 5.339 -9.712 2.581 1.00 74.53 N ATOM 1665 CA ASP A 118 4.378 -8.966 1.832 1.00 33.44 C ATOM 1666 C ASP A 118 3.758 -7.922 2.693 1.00 3.42 C ATOM 1667 O ASP A 118 3.458 -8.157 3.869 1.00 65.30 O ATOM 1668 CB ASP A 118 3.323 -9.841 1.126 1.00 52.01 C ATOM 1669 CG ASP A 118 2.662 -10.879 1.998 1.00 22.32 C ATOM 1670 OD1 ASP A 118 1.511 -10.691 2.383 1.00 61.24 O ATOM 1671 OD2 ASP A 118 3.316 -11.926 2.291 1.00 43.12 O ATOM 0 H ASP A 118 4.945 -10.284 3.328 1.00 74.53 H new ATOM 0 HA ASP A 118 4.917 -8.477 1.020 1.00 33.44 H new ATOM 0 HB2 ASP A 118 2.551 -9.191 0.714 1.00 52.01 H new ATOM 0 HB3 ASP A 118 3.797 -10.345 0.284 1.00 52.01 H new ATOM 1676 N GLU A 119 3.662 -6.749 2.143 1.00 20.44 N ATOM 1677 CA GLU A 119 3.054 -5.630 2.832 1.00 50.04 C ATOM 1678 C GLU A 119 1.830 -5.137 2.129 1.00 0.32 C ATOM 1679 O GLU A 119 1.673 -5.314 0.919 1.00 65.41 O ATOM 1680 CB GLU A 119 4.030 -4.474 3.105 1.00 23.24 C ATOM 1681 CG GLU A 119 4.937 -4.733 4.280 1.00 63.35 C ATOM 1682 CD GLU A 119 5.828 -3.570 4.635 1.00 42.13 C ATOM 1683 OE1 GLU A 119 7.057 -3.710 4.577 1.00 72.42 O ATOM 1684 OE2 GLU A 119 5.337 -2.505 5.001 1.00 62.51 O ATOM 0 H GLU A 119 4.000 -6.532 1.205 1.00 20.44 H new ATOM 0 HA GLU A 119 2.755 -6.021 3.805 1.00 50.04 H new ATOM 0 HB2 GLU A 119 4.637 -4.301 2.216 1.00 23.24 H new ATOM 0 HB3 GLU A 119 3.462 -3.561 3.286 1.00 23.24 H new ATOM 0 HG2 GLU A 119 4.328 -4.988 5.147 1.00 63.35 H new ATOM 0 HG3 GLU A 119 5.559 -5.601 4.061 1.00 63.35 H new ATOM 1691 N ALA A 120 0.972 -4.534 2.883 1.00 30.23 N ATOM 1692 CA ALA A 120 -0.263 -4.011 2.379 1.00 61.30 C ATOM 1693 C ALA A 120 -0.490 -2.641 2.948 1.00 11.31 C ATOM 1694 O ALA A 120 -0.580 -2.494 4.145 1.00 41.53 O ATOM 1695 CB ALA A 120 -1.392 -4.931 2.779 1.00 12.31 C ATOM 0 H ALA A 120 1.107 -4.386 3.883 1.00 30.23 H new ATOM 0 HA ALA A 120 -0.223 -3.944 1.292 1.00 61.30 H new ATOM 0 HB1 ALA A 120 -2.334 -4.538 2.398 1.00 12.31 H new ATOM 0 HB2 ALA A 120 -1.218 -5.923 2.362 1.00 12.31 H new ATOM 0 HB3 ALA A 120 -1.440 -4.997 3.866 1.00 12.31 H new ATOM 1701 N GLU A 121 -0.560 -1.649 2.108 1.00 54.44 N ATOM 1702 CA GLU A 121 -0.745 -0.293 2.547 1.00 74.32 C ATOM 1703 C GLU A 121 -2.075 0.237 2.025 1.00 4.15 C ATOM 1704 O GLU A 121 -2.235 0.444 0.836 1.00 24.22 O ATOM 1705 CB GLU A 121 0.376 0.599 2.012 1.00 23.11 C ATOM 1706 CG GLU A 121 1.774 0.041 2.206 1.00 45.41 C ATOM 1707 CD GLU A 121 2.838 1.006 1.797 1.00 15.34 C ATOM 1708 OE1 GLU A 121 2.753 1.574 0.713 1.00 34.23 O ATOM 1709 OE2 GLU A 121 3.783 1.229 2.578 1.00 62.25 O ATOM 0 H GLU A 121 -0.490 -1.756 1.096 1.00 54.44 H new ATOM 0 HA GLU A 121 -0.733 -0.279 3.637 1.00 74.32 H new ATOM 0 HB2 GLU A 121 0.211 0.769 0.948 1.00 23.11 H new ATOM 0 HB3 GLU A 121 0.315 1.570 2.503 1.00 23.11 H new ATOM 0 HG2 GLU A 121 1.913 -0.225 3.254 1.00 45.41 H new ATOM 0 HG3 GLU A 121 1.879 -0.877 1.627 1.00 45.41 H new ATOM 1716 N ALA A 122 -3.003 0.438 2.897 1.00 61.43 N ATOM 1717 CA ALA A 122 -4.272 1.007 2.546 1.00 2.34 C ATOM 1718 C ALA A 122 -4.231 2.507 2.799 1.00 34.23 C ATOM 1719 O ALA A 122 -3.793 2.956 3.874 1.00 53.42 O ATOM 1720 CB ALA A 122 -5.387 0.358 3.346 1.00 72.34 C ATOM 0 H ALA A 122 -2.907 0.211 3.887 1.00 61.43 H new ATOM 0 HA ALA A 122 -4.471 0.825 1.490 1.00 2.34 H new ATOM 0 HB1 ALA A 122 -6.342 0.803 3.066 1.00 72.34 H new ATOM 0 HB2 ALA A 122 -5.410 -0.712 3.137 1.00 72.34 H new ATOM 0 HB3 ALA A 122 -5.211 0.516 4.410 1.00 72.34 H new ATOM 1726 N TYR A 123 -4.649 3.266 1.821 1.00 4.50 N ATOM 1727 CA TYR A 123 -4.643 4.710 1.891 1.00 73.04 C ATOM 1728 C TYR A 123 -6.087 5.214 1.883 1.00 32.02 C ATOM 1729 O TYR A 123 -6.833 4.971 0.928 1.00 2.41 O ATOM 1730 CB TYR A 123 -3.916 5.301 0.667 1.00 72.25 C ATOM 1731 CG TYR A 123 -2.569 4.678 0.338 1.00 25.11 C ATOM 1732 CD1 TYR A 123 -2.484 3.614 -0.554 1.00 10.12 C ATOM 1733 CD2 TYR A 123 -1.393 5.160 0.886 1.00 11.23 C ATOM 1734 CE1 TYR A 123 -1.276 3.059 -0.893 1.00 12.34 C ATOM 1735 CE2 TYR A 123 -0.168 4.595 0.553 1.00 12.45 C ATOM 1736 CZ TYR A 123 -0.121 3.547 -0.341 1.00 4.13 C ATOM 1737 OH TYR A 123 1.090 2.989 -0.704 1.00 61.44 O ATOM 0 H TYR A 123 -5.009 2.898 0.940 1.00 4.50 H new ATOM 0 HA TYR A 123 -4.130 5.017 2.803 1.00 73.04 H new ATOM 0 HB2 TYR A 123 -4.565 5.199 -0.203 1.00 72.25 H new ATOM 0 HB3 TYR A 123 -3.771 6.368 0.833 1.00 72.25 H new ATOM 0 HD1 TYR A 123 -3.389 3.216 -0.989 1.00 10.12 H new ATOM 0 HD2 TYR A 123 -1.428 5.986 1.581 1.00 11.23 H new ATOM 0 HE1 TYR A 123 -1.236 2.238 -1.594 1.00 12.34 H new ATOM 0 HE2 TYR A 123 0.742 4.975 0.992 1.00 12.45 H new ATOM 0 HH TYR A 123 1.623 2.814 0.099 1.00 61.44 H new ATOM 1747 N ILE A 124 -6.479 5.882 2.932 1.00 72.25 N ATOM 1748 CA ILE A 124 -7.824 6.466 3.055 1.00 1.02 C ATOM 1749 C ILE A 124 -7.655 7.968 3.200 1.00 15.11 C ATOM 1750 O ILE A 124 -6.609 8.414 3.686 1.00 21.33 O ATOM 1751 CB ILE A 124 -8.542 5.945 4.344 1.00 74.51 C ATOM 1752 CG1 ILE A 124 -8.634 4.424 4.365 1.00 22.23 C ATOM 1753 CG2 ILE A 124 -9.935 6.566 4.537 1.00 1.34 C ATOM 1754 CD1 ILE A 124 -9.342 3.902 5.602 1.00 21.20 C ATOM 0 H ILE A 124 -5.883 6.049 3.743 1.00 72.25 H new ATOM 0 HA ILE A 124 -8.416 6.195 2.181 1.00 1.02 H new ATOM 0 HB ILE A 124 -7.921 6.264 5.181 1.00 74.51 H new ATOM 0 HG12 ILE A 124 -9.164 4.083 3.476 1.00 22.23 H new ATOM 0 HG13 ILE A 124 -7.630 4.002 4.319 1.00 22.23 H new ATOM 0 HG21 ILE A 124 -10.387 6.169 5.446 1.00 1.34 H new ATOM 0 HG22 ILE A 124 -9.842 7.649 4.621 1.00 1.34 H new ATOM 0 HG23 ILE A 124 -10.564 6.321 3.682 1.00 1.34 H new ATOM 0 HD11 ILE A 124 -9.380 2.813 5.567 1.00 21.20 H new ATOM 0 HD12 ILE A 124 -8.799 4.218 6.493 1.00 21.20 H new ATOM 0 HD13 ILE A 124 -10.356 4.300 5.636 1.00 21.20 H new ATOM 1766 N TRP A 125 -8.632 8.748 2.791 1.00 50.22 N ATOM 1767 CA TRP A 125 -8.546 10.160 2.999 1.00 72.42 C ATOM 1768 C TRP A 125 -9.895 10.700 3.466 1.00 34.13 C ATOM 1769 O TRP A 125 -10.980 10.103 3.163 1.00 11.34 O ATOM 1770 CB TRP A 125 -8.029 10.911 1.725 1.00 52.12 C ATOM 1771 CG TRP A 125 -9.083 11.454 0.777 1.00 14.32 C ATOM 1772 CD1 TRP A 125 -9.402 12.772 0.607 1.00 32.20 C ATOM 1773 CD2 TRP A 125 -9.948 10.724 -0.109 1.00 43.33 C ATOM 1774 NE1 TRP A 125 -10.399 12.904 -0.318 1.00 4.13 N ATOM 1775 CE2 TRP A 125 -10.757 11.669 -0.771 1.00 30.54 C ATOM 1776 CE3 TRP A 125 -10.122 9.380 -0.402 1.00 3.44 C ATOM 1777 CZ2 TRP A 125 -11.716 11.308 -1.706 1.00 60.52 C ATOM 1778 CZ3 TRP A 125 -11.078 9.013 -1.328 1.00 2.14 C ATOM 1779 CH2 TRP A 125 -11.866 9.979 -1.971 1.00 63.11 C ATOM 0 H TRP A 125 -9.478 8.427 2.321 1.00 50.22 H new ATOM 0 HA TRP A 125 -7.810 10.345 3.781 1.00 72.42 H new ATOM 0 HB2 TRP A 125 -7.404 11.743 2.051 1.00 52.12 H new ATOM 0 HB3 TRP A 125 -7.387 10.230 1.166 1.00 52.12 H new ATOM 0 HD1 TRP A 125 -8.933 13.593 1.129 1.00 32.20 H new ATOM 0 HE1 TRP A 125 -10.810 13.787 -0.621 1.00 4.13 H new ATOM 0 HE3 TRP A 125 -9.518 8.630 0.087 1.00 3.44 H new ATOM 0 HZ2 TRP A 125 -12.321 12.051 -2.205 1.00 60.52 H new ATOM 0 HZ3 TRP A 125 -11.221 7.968 -1.560 1.00 2.14 H new ATOM 0 HH2 TRP A 125 -12.607 9.664 -2.691 1.00 63.11 H new ATOM 1790 N ARG A 126 -9.832 11.742 4.276 1.00 73.43 N ATOM 1791 CA ARG A 126 -10.999 12.477 4.641 1.00 2.10 C ATOM 1792 C ARG A 126 -11.226 13.542 3.631 1.00 44.15 C ATOM 1793 O ARG A 126 -10.318 14.325 3.296 1.00 71.12 O ATOM 1794 CB ARG A 126 -10.930 13.107 6.029 1.00 42.13 C ATOM 1795 CG ARG A 126 -11.027 12.132 7.163 1.00 32.03 C ATOM 1796 CD ARG A 126 -11.135 12.881 8.493 1.00 44.23 C ATOM 1797 NE ARG A 126 -11.016 12.004 9.675 1.00 64.21 N ATOM 1798 CZ ARG A 126 -11.484 12.303 10.909 1.00 42.41 C ATOM 1799 NH1 ARG A 126 -12.220 13.388 11.099 1.00 31.03 N ATOM 1800 NH2 ARG A 126 -11.214 11.503 11.936 1.00 43.34 N ATOM 0 H ARG A 126 -8.967 12.090 4.690 1.00 73.43 H new ATOM 0 HA ARG A 126 -11.823 11.764 4.671 1.00 2.10 H new ATOM 0 HB2 ARG A 126 -9.992 13.656 6.118 1.00 42.13 H new ATOM 0 HB3 ARG A 126 -11.736 13.835 6.123 1.00 42.13 H new ATOM 0 HG2 ARG A 126 -11.897 11.490 7.027 1.00 32.03 H new ATOM 0 HG3 ARG A 126 -10.150 11.484 7.172 1.00 32.03 H new ATOM 0 HD2 ARG A 126 -10.357 13.643 8.536 1.00 44.23 H new ATOM 0 HD3 ARG A 126 -12.092 13.401 8.531 1.00 44.23 H new ATOM 0 HE ARG A 126 -10.547 11.107 9.552 1.00 64.21 H new ATOM 0 HH11 ARG A 126 -12.436 14.002 10.313 1.00 31.03 H new ATOM 0 HH12 ARG A 126 -12.571 13.610 12.031 1.00 31.03 H new ATOM 0 HH21 ARG A 126 -10.653 10.663 11.794 1.00 43.34 H new ATOM 0 HH22 ARG A 126 -11.567 11.730 12.866 1.00 43.34 H new ATOM 1814 N ARG A 127 -12.401 13.570 3.170 1.00 25.23 N ATOM 1815 CA ARG A 127 -12.835 14.494 2.170 1.00 1.03 C ATOM 1816 C ARG A 127 -13.314 15.765 2.874 1.00 54.34 C ATOM 1817 O ARG A 127 -13.842 15.687 3.985 1.00 22.21 O ATOM 1818 CB ARG A 127 -13.945 13.821 1.345 1.00 31.21 C ATOM 1819 CG ARG A 127 -14.641 14.700 0.340 1.00 23.53 C ATOM 1820 CD ARG A 127 -15.706 13.932 -0.403 1.00 1.44 C ATOM 1821 NE ARG A 127 -16.590 14.822 -1.153 1.00 50.55 N ATOM 1822 CZ ARG A 127 -17.875 14.547 -1.426 1.00 3.54 C ATOM 1823 NH1 ARG A 127 -18.400 13.361 -1.079 1.00 54.43 N ATOM 1824 NH2 ARG A 127 -18.629 15.450 -2.046 1.00 2.41 N ATOM 0 H ARG A 127 -13.134 12.931 3.479 1.00 25.23 H new ATOM 0 HA ARG A 127 -12.033 14.772 1.486 1.00 1.03 H new ATOM 0 HB2 ARG A 127 -13.514 12.970 0.818 1.00 31.21 H new ATOM 0 HB3 ARG A 127 -14.693 13.425 2.032 1.00 31.21 H new ATOM 0 HG2 ARG A 127 -15.090 15.554 0.847 1.00 23.53 H new ATOM 0 HG3 ARG A 127 -13.913 15.097 -0.368 1.00 23.53 H new ATOM 0 HD2 ARG A 127 -15.235 13.226 -1.087 1.00 1.44 H new ATOM 0 HD3 ARG A 127 -16.294 13.347 0.305 1.00 1.44 H new ATOM 0 HE ARG A 127 -16.207 15.706 -1.489 1.00 50.55 H new ATOM 0 HH11 ARG A 127 -17.822 12.666 -0.607 1.00 54.43 H new ATOM 0 HH12 ARG A 127 -19.377 13.155 -1.288 1.00 54.43 H new ATOM 0 HH21 ARG A 127 -18.231 16.350 -2.313 1.00 2.41 H new ATOM 0 HH22 ARG A 127 -19.606 15.243 -2.254 1.00 2.41 H new ATOM 1838 N LYS A 128 -13.129 16.923 2.236 1.00 45.21 N ATOM 1839 CA LYS A 128 -13.474 18.240 2.837 1.00 75.33 C ATOM 1840 C LYS A 128 -14.942 18.325 3.222 1.00 61.03 C ATOM 1841 O LYS A 128 -15.315 19.037 4.164 1.00 42.41 O ATOM 1842 CB LYS A 128 -13.138 19.370 1.878 1.00 33.34 C ATOM 1843 CG LYS A 128 -11.688 19.418 1.490 1.00 24.43 C ATOM 1844 CD LYS A 128 -11.423 20.533 0.498 1.00 13.25 C ATOM 1845 CE LYS A 128 -9.970 20.566 0.070 1.00 24.52 C ATOM 1846 NZ LYS A 128 -9.710 21.629 -0.917 1.00 74.34 N ATOM 0 H LYS A 128 -12.740 16.989 1.295 1.00 45.21 H new ATOM 0 HA LYS A 128 -12.879 18.339 3.745 1.00 75.33 H new ATOM 0 HB2 LYS A 128 -13.743 19.263 0.978 1.00 33.34 H new ATOM 0 HB3 LYS A 128 -13.414 20.319 2.337 1.00 33.34 H new ATOM 0 HG2 LYS A 128 -11.075 19.566 2.379 1.00 24.43 H new ATOM 0 HG3 LYS A 128 -11.393 18.463 1.055 1.00 24.43 H new ATOM 0 HD2 LYS A 128 -12.058 20.400 -0.378 1.00 13.25 H new ATOM 0 HD3 LYS A 128 -11.693 21.490 0.945 1.00 13.25 H new ATOM 0 HE2 LYS A 128 -9.338 20.720 0.944 1.00 24.52 H new ATOM 0 HE3 LYS A 128 -9.695 19.601 -0.356 1.00 24.52 H new ATOM 0 HZ1 LYS A 128 -8.705 21.617 -1.183 1.00 74.34 H new ATOM 0 HZ2 LYS A 128 -10.294 21.468 -1.762 1.00 74.34 H new ATOM 0 HZ3 LYS A 128 -9.948 22.553 -0.503 1.00 74.34 H new ATOM 1860 N ASP A 129 -15.754 17.579 2.501 1.00 40.14 N ATOM 1861 CA ASP A 129 -17.191 17.490 2.736 1.00 60.12 C ATOM 1862 C ASP A 129 -17.505 16.854 4.096 1.00 61.45 C ATOM 1863 O ASP A 129 -18.583 17.044 4.642 1.00 11.42 O ATOM 1864 CB ASP A 129 -17.809 16.645 1.608 1.00 4.42 C ATOM 1865 CG ASP A 129 -19.254 16.270 1.832 1.00 74.52 C ATOM 1866 OD1 ASP A 129 -19.515 15.165 2.368 1.00 3.33 O ATOM 1867 OD2 ASP A 129 -20.150 17.064 1.474 1.00 32.12 O ATOM 0 H ASP A 129 -15.434 17.006 1.721 1.00 40.14 H new ATOM 0 HA ASP A 129 -17.613 18.495 2.744 1.00 60.12 H new ATOM 0 HB2 ASP A 129 -17.730 17.197 0.672 1.00 4.42 H new ATOM 0 HB3 ASP A 129 -17.223 15.733 1.491 1.00 4.42 H new ATOM 1872 N GLY A 130 -16.536 16.190 4.678 1.00 42.11 N ATOM 1873 CA GLY A 130 -16.778 15.518 5.938 1.00 51.32 C ATOM 1874 C GLY A 130 -17.046 14.049 5.732 1.00 41.50 C ATOM 1875 O GLY A 130 -17.424 13.323 6.648 1.00 63.11 O ATOM 0 H GLY A 130 -15.589 16.099 4.311 1.00 42.11 H new ATOM 0 HA2 GLY A 130 -15.915 15.644 6.592 1.00 51.32 H new ATOM 0 HA3 GLY A 130 -17.629 15.978 6.441 1.00 51.32 H new ATOM 1879 N SER A 131 -16.886 13.618 4.542 1.00 71.21 N ATOM 1880 CA SER A 131 -17.012 12.266 4.218 1.00 11.53 C ATOM 1881 C SER A 131 -15.620 11.643 4.198 1.00 25.03 C ATOM 1882 O SER A 131 -14.611 12.355 4.173 1.00 1.23 O ATOM 1883 CB SER A 131 -17.742 12.174 2.888 1.00 71.44 C ATOM 1884 OG SER A 131 -17.477 13.348 2.113 1.00 72.22 O ATOM 0 H SER A 131 -16.658 14.218 3.749 1.00 71.21 H new ATOM 0 HA SER A 131 -17.596 11.708 4.950 1.00 11.53 H new ATOM 0 HB2 SER A 131 -17.418 11.286 2.345 1.00 71.44 H new ATOM 0 HB3 SER A 131 -18.814 12.071 3.056 1.00 71.44 H new ATOM 0 HG SER A 131 -18.274 13.918 2.100 1.00 72.22 H new ATOM 1890 N CYS A 132 -15.553 10.375 4.264 1.00 24.23 N ATOM 1891 CA CYS A 132 -14.296 9.684 4.259 1.00 55.30 C ATOM 1892 C CYS A 132 -14.395 8.550 3.281 1.00 1.51 C ATOM 1893 O CYS A 132 -15.475 7.979 3.123 1.00 51.51 O ATOM 1894 CB CYS A 132 -13.962 9.170 5.665 1.00 61.31 C ATOM 1895 SG CYS A 132 -15.143 7.974 6.351 1.00 3.32 S ATOM 0 H CYS A 132 -16.368 9.765 4.324 1.00 24.23 H new ATOM 0 HA CYS A 132 -13.493 10.359 3.962 1.00 55.30 H new ATOM 0 HB2 CYS A 132 -12.975 8.709 5.641 1.00 61.31 H new ATOM 0 HB3 CYS A 132 -13.899 10.023 6.341 1.00 61.31 H new ATOM 0 HG CYS A 132 -16.297 8.549 6.515 1.00 3.32 H new ATOM 1901 N TRP A 133 -13.322 8.239 2.594 1.00 53.32 N ATOM 1902 CA TRP A 133 -13.368 7.176 1.628 1.00 23.12 C ATOM 1903 C TRP A 133 -11.965 6.668 1.356 1.00 4.24 C ATOM 1904 O TRP A 133 -10.981 7.366 1.632 1.00 44.03 O ATOM 1905 CB TRP A 133 -14.053 7.654 0.332 1.00 74.54 C ATOM 1906 CG TRP A 133 -14.618 6.538 -0.493 1.00 51.54 C ATOM 1907 CD1 TRP A 133 -15.472 5.579 -0.057 1.00 0.03 C ATOM 1908 CD2 TRP A 133 -14.416 6.287 -1.887 1.00 75.11 C ATOM 1909 NE1 TRP A 133 -15.807 4.739 -1.075 1.00 64.11 N ATOM 1910 CE2 TRP A 133 -15.172 5.150 -2.215 1.00 70.34 C ATOM 1911 CE3 TRP A 133 -13.670 6.905 -2.886 1.00 73.44 C ATOM 1912 CZ2 TRP A 133 -15.204 4.626 -3.497 1.00 51.22 C ATOM 1913 CZ3 TRP A 133 -13.702 6.385 -4.161 1.00 61.33 C ATOM 1914 CH2 TRP A 133 -14.463 5.256 -4.457 1.00 52.10 C ATOM 0 H TRP A 133 -12.418 8.702 2.686 1.00 53.32 H new ATOM 0 HA TRP A 133 -13.959 6.352 2.029 1.00 23.12 H new ATOM 0 HB2 TRP A 133 -14.854 8.347 0.588 1.00 74.54 H new ATOM 0 HB3 TRP A 133 -13.331 8.209 -0.268 1.00 74.54 H new ATOM 0 HD1 TRP A 133 -15.836 5.493 0.956 1.00 0.03 H new ATOM 0 HE1 TRP A 133 -16.430 3.935 -1.000 1.00 64.11 H new ATOM 0 HE3 TRP A 133 -13.075 7.779 -2.665 1.00 73.44 H new ATOM 0 HZ2 TRP A 133 -15.793 3.751 -3.729 1.00 51.22 H new ATOM 0 HZ3 TRP A 133 -13.128 6.860 -4.943 1.00 61.33 H new ATOM 0 HH2 TRP A 133 -14.467 4.871 -5.466 1.00 52.10 H new ATOM 1925 N LEU A 134 -11.871 5.442 0.907 1.00 65.52 N ATOM 1926 CA LEU A 134 -10.609 4.845 0.558 1.00 14.12 C ATOM 1927 C LEU A 134 -10.060 5.502 -0.678 1.00 33.24 C ATOM 1928 O LEU A 134 -10.736 5.595 -1.710 1.00 64.43 O ATOM 1929 CB LEU A 134 -10.705 3.323 0.341 1.00 42.50 C ATOM 1930 CG LEU A 134 -10.844 2.430 1.584 1.00 2.45 C ATOM 1931 CD1 LEU A 134 -12.175 2.624 2.300 1.00 3.21 C ATOM 1932 CD2 LEU A 134 -10.635 0.977 1.199 1.00 20.44 C ATOM 0 H LEU A 134 -12.674 4.827 0.773 1.00 65.52 H new ATOM 0 HA LEU A 134 -9.937 5.004 1.401 1.00 14.12 H new ATOM 0 HB2 LEU A 134 -11.560 3.130 -0.307 1.00 42.50 H new ATOM 0 HB3 LEU A 134 -9.815 3.005 -0.202 1.00 42.50 H new ATOM 0 HG LEU A 134 -10.072 2.728 2.293 1.00 2.45 H new ATOM 0 HD11 LEU A 134 -12.219 1.969 3.170 1.00 3.21 H new ATOM 0 HD12 LEU A 134 -12.267 3.661 2.622 1.00 3.21 H new ATOM 0 HD13 LEU A 134 -12.992 2.381 1.621 1.00 3.21 H new ATOM 0 HD21 LEU A 134 -10.735 0.348 2.084 1.00 20.44 H new ATOM 0 HD22 LEU A 134 -11.382 0.685 0.461 1.00 20.44 H new ATOM 0 HD23 LEU A 134 -9.638 0.852 0.776 1.00 20.44 H new ATOM 1944 N HIS A 135 -8.853 5.949 -0.574 1.00 32.13 N ATOM 1945 CA HIS A 135 -8.206 6.619 -1.643 1.00 41.31 C ATOM 1946 C HIS A 135 -7.679 5.567 -2.598 1.00 35.42 C ATOM 1947 O HIS A 135 -8.074 5.519 -3.766 1.00 12.12 O ATOM 1948 CB HIS A 135 -7.073 7.517 -1.091 1.00 72.44 C ATOM 1949 CG HIS A 135 -6.385 8.391 -2.104 1.00 71.25 C ATOM 1950 ND1 HIS A 135 -6.860 9.621 -2.514 1.00 53.13 N ATOM 1951 CD2 HIS A 135 -5.216 8.207 -2.764 1.00 75.23 C ATOM 1952 CE1 HIS A 135 -5.987 10.133 -3.379 1.00 75.43 C ATOM 1953 NE2 HIS A 135 -4.967 9.313 -3.569 1.00 31.42 N ATOM 0 H HIS A 135 -8.284 5.856 0.268 1.00 32.13 H new ATOM 0 HA HIS A 135 -8.898 7.270 -2.177 1.00 41.31 H new ATOM 0 HB2 HIS A 135 -7.487 8.154 -0.309 1.00 72.44 H new ATOM 0 HB3 HIS A 135 -6.325 6.879 -0.620 1.00 72.44 H new ATOM 0 HD2 HIS A 135 -4.579 7.339 -2.678 1.00 75.23 H new ATOM 0 HE1 HIS A 135 -6.097 11.092 -3.862 1.00 75.43 H new ATOM 0 HE2 HIS A 135 -4.164 9.461 -4.180 1.00 31.42 H new ATOM 1961 N SER A 136 -6.880 4.676 -2.072 1.00 13.31 N ATOM 1962 CA SER A 136 -6.253 3.620 -2.849 1.00 65.30 C ATOM 1963 C SER A 136 -5.707 2.637 -1.846 1.00 50.12 C ATOM 1964 O SER A 136 -5.607 2.973 -0.686 1.00 50.55 O ATOM 1965 CB SER A 136 -5.056 4.164 -3.688 1.00 42.21 C ATOM 1966 OG SER A 136 -5.374 5.348 -4.434 1.00 41.24 O ATOM 0 H SER A 136 -6.639 4.656 -1.081 1.00 13.31 H new ATOM 0 HA SER A 136 -6.977 3.181 -3.536 1.00 65.30 H new ATOM 0 HB2 SER A 136 -4.221 4.378 -3.020 1.00 42.21 H new ATOM 0 HB3 SER A 136 -4.723 3.388 -4.377 1.00 42.21 H new ATOM 0 HG SER A 136 -5.292 5.163 -5.393 1.00 41.24 H new ATOM 1972 N VAL A 137 -5.407 1.444 -2.240 1.00 74.23 N ATOM 1973 CA VAL A 137 -4.718 0.531 -1.366 1.00 71.15 C ATOM 1974 C VAL A 137 -3.670 -0.159 -2.210 1.00 64.14 C ATOM 1975 O VAL A 137 -3.848 -0.287 -3.415 1.00 3.41 O ATOM 1976 CB VAL A 137 -5.637 -0.519 -0.630 1.00 25.24 C ATOM 1977 CG1 VAL A 137 -6.855 0.111 0.033 1.00 2.03 C ATOM 1978 CG2 VAL A 137 -6.037 -1.669 -1.505 1.00 32.13 C ATOM 0 H VAL A 137 -5.626 1.070 -3.163 1.00 74.23 H new ATOM 0 HA VAL A 137 -4.286 1.104 -0.545 1.00 71.15 H new ATOM 0 HB VAL A 137 -5.011 -0.923 0.166 1.00 25.24 H new ATOM 0 HG11 VAL A 137 -7.445 -0.664 0.521 1.00 2.03 H new ATOM 0 HG12 VAL A 137 -6.529 0.840 0.775 1.00 2.03 H new ATOM 0 HG13 VAL A 137 -7.464 0.609 -0.722 1.00 2.03 H new ATOM 0 HG21 VAL A 137 -6.668 -2.355 -0.939 1.00 32.13 H new ATOM 0 HG22 VAL A 137 -6.590 -1.295 -2.367 1.00 32.13 H new ATOM 0 HG23 VAL A 137 -5.145 -2.194 -1.846 1.00 32.13 H new ATOM 1988 N LYS A 138 -2.595 -0.538 -1.630 1.00 63.14 N ATOM 1989 CA LYS A 138 -1.511 -1.122 -2.366 1.00 41.11 C ATOM 1990 C LYS A 138 -0.995 -2.352 -1.657 1.00 21.42 C ATOM 1991 O LYS A 138 -0.741 -2.319 -0.475 1.00 65.43 O ATOM 1992 CB LYS A 138 -0.405 -0.075 -2.470 1.00 44.30 C ATOM 1993 CG LYS A 138 0.836 -0.483 -3.245 1.00 2.44 C ATOM 1994 CD LYS A 138 1.937 0.567 -3.075 1.00 64.12 C ATOM 1995 CE LYS A 138 1.527 1.931 -3.632 1.00 24.00 C ATOM 1996 NZ LYS A 138 2.429 3.004 -3.169 1.00 51.13 N ATOM 0 H LYS A 138 -2.429 -0.457 -0.627 1.00 63.14 H new ATOM 0 HA LYS A 138 -1.848 -1.424 -3.358 1.00 41.11 H new ATOM 0 HB2 LYS A 138 -0.822 0.818 -2.936 1.00 44.30 H new ATOM 0 HB3 LYS A 138 -0.102 0.204 -1.461 1.00 44.30 H new ATOM 0 HG2 LYS A 138 1.191 -1.452 -2.893 1.00 2.44 H new ATOM 0 HG3 LYS A 138 0.592 -0.597 -4.301 1.00 2.44 H new ATOM 0 HD2 LYS A 138 2.181 0.667 -2.017 1.00 64.12 H new ATOM 0 HD3 LYS A 138 2.841 0.227 -3.580 1.00 64.12 H new ATOM 0 HE2 LYS A 138 1.533 1.896 -4.721 1.00 24.00 H new ATOM 0 HE3 LYS A 138 0.506 2.157 -3.326 1.00 24.00 H new ATOM 0 HZ1 LYS A 138 2.323 3.836 -3.783 1.00 51.13 H new ATOM 0 HZ2 LYS A 138 2.188 3.263 -2.191 1.00 51.13 H new ATOM 0 HZ3 LYS A 138 3.413 2.670 -3.206 1.00 51.13 H new ATOM 2010 N PHE A 139 -0.854 -3.420 -2.376 1.00 42.13 N ATOM 2011 CA PHE A 139 -0.317 -4.621 -1.848 1.00 74.05 C ATOM 2012 C PHE A 139 0.999 -4.849 -2.513 1.00 23.43 C ATOM 2013 O PHE A 139 1.093 -4.783 -3.733 1.00 64.42 O ATOM 2014 CB PHE A 139 -1.258 -5.785 -2.136 1.00 20.53 C ATOM 2015 CG PHE A 139 -2.629 -5.550 -1.601 1.00 13.23 C ATOM 2016 CD1 PHE A 139 -3.706 -5.374 -2.444 1.00 32.52 C ATOM 2017 CD2 PHE A 139 -2.829 -5.477 -0.252 1.00 72.51 C ATOM 2018 CE1 PHE A 139 -4.957 -5.134 -1.931 1.00 14.32 C ATOM 2019 CE2 PHE A 139 -4.074 -5.237 0.270 1.00 53.41 C ATOM 2020 CZ PHE A 139 -5.145 -5.065 -0.570 1.00 72.32 C ATOM 0 H PHE A 139 -1.114 -3.477 -3.361 1.00 42.13 H new ATOM 0 HA PHE A 139 -0.195 -4.547 -0.767 1.00 74.05 H new ATOM 0 HB2 PHE A 139 -1.313 -5.947 -3.213 1.00 20.53 H new ATOM 0 HB3 PHE A 139 -0.850 -6.696 -1.697 1.00 20.53 H new ATOM 0 HD1 PHE A 139 -3.565 -5.425 -3.514 1.00 32.52 H new ATOM 0 HD2 PHE A 139 -1.991 -5.611 0.416 1.00 72.51 H new ATOM 0 HE1 PHE A 139 -5.796 -4.999 -2.598 1.00 14.32 H new ATOM 0 HE2 PHE A 139 -4.211 -5.183 1.340 1.00 53.41 H new ATOM 0 HZ PHE A 139 -6.129 -4.877 -0.166 1.00 72.32 H new ATOM 2030 N ILE A 140 2.003 -5.080 -1.752 1.00 60.32 N ATOM 2031 CA ILE A 140 3.308 -5.293 -2.293 1.00 3.13 C ATOM 2032 C ILE A 140 3.875 -6.550 -1.718 1.00 43.01 C ATOM 2033 O ILE A 140 4.374 -6.589 -0.590 1.00 23.43 O ATOM 2034 CB ILE A 140 4.273 -4.069 -2.103 1.00 45.35 C ATOM 2035 CG1 ILE A 140 4.216 -3.514 -0.658 1.00 42.22 C ATOM 2036 CG2 ILE A 140 3.981 -2.979 -3.133 1.00 10.30 C ATOM 2037 CD1 ILE A 140 5.119 -2.317 -0.408 1.00 13.21 C ATOM 0 H ILE A 140 1.952 -5.128 -0.734 1.00 60.32 H new ATOM 0 HA ILE A 140 3.210 -5.400 -3.373 1.00 3.13 H new ATOM 0 HB ILE A 140 5.291 -4.422 -2.269 1.00 45.35 H new ATOM 0 HG12 ILE A 140 3.188 -3.232 -0.431 1.00 42.22 H new ATOM 0 HG13 ILE A 140 4.489 -4.310 0.035 1.00 42.22 H new ATOM 0 HG21 ILE A 140 4.663 -2.142 -2.980 1.00 10.30 H new ATOM 0 HG22 ILE A 140 4.119 -3.381 -4.137 1.00 10.30 H new ATOM 0 HG23 ILE A 140 2.953 -2.635 -3.018 1.00 10.30 H new ATOM 0 HD11 ILE A 140 5.016 -1.994 0.628 1.00 13.21 H new ATOM 0 HD12 ILE A 140 6.155 -2.596 -0.600 1.00 13.21 H new ATOM 0 HD13 ILE A 140 4.834 -1.501 -1.073 1.00 13.21 H new ATOM 2049 N MET A 141 3.763 -7.592 -2.469 1.00 44.21 N ATOM 2050 CA MET A 141 4.202 -8.864 -2.008 1.00 45.42 C ATOM 2051 C MET A 141 5.616 -9.108 -2.433 1.00 40.13 C ATOM 2052 O MET A 141 6.008 -8.713 -3.527 1.00 2.04 O ATOM 2053 CB MET A 141 3.262 -9.993 -2.464 1.00 41.32 C ATOM 2054 CG MET A 141 3.159 -10.182 -3.970 1.00 31.22 C ATOM 2055 SD MET A 141 1.953 -11.440 -4.438 1.00 72.24 S ATOM 2056 CE MET A 141 0.430 -10.709 -3.827 1.00 34.23 C ATOM 0 H MET A 141 3.369 -7.587 -3.410 1.00 44.21 H new ATOM 0 HA MET A 141 4.172 -8.861 -0.918 1.00 45.42 H new ATOM 0 HB2 MET A 141 3.601 -10.928 -2.019 1.00 41.32 H new ATOM 0 HB3 MET A 141 2.265 -9.796 -2.070 1.00 41.32 H new ATOM 0 HG2 MET A 141 2.885 -9.234 -4.432 1.00 31.22 H new ATOM 0 HG3 MET A 141 4.137 -10.459 -4.364 1.00 31.22 H new ATOM 0 HE1 MET A 141 -0.386 -10.944 -4.511 1.00 34.23 H new ATOM 0 HE2 MET A 141 0.204 -11.112 -2.840 1.00 34.23 H new ATOM 0 HE3 MET A 141 0.547 -9.627 -3.759 1.00 34.23 H new ATOM 2066 N SER A 142 6.392 -9.662 -1.522 1.00 15.11 N ATOM 2067 CA SER A 142 7.790 -10.049 -1.769 1.00 44.42 C ATOM 2068 C SER A 142 8.701 -8.818 -1.644 1.00 2.14 C ATOM 2069 O SER A 142 9.784 -8.738 -2.241 1.00 51.35 O ATOM 2070 CB SER A 142 7.945 -10.806 -3.137 1.00 72.42 C ATOM 2071 OG SER A 142 9.271 -11.284 -3.375 1.00 45.53 O ATOM 0 H SER A 142 6.076 -9.864 -0.573 1.00 15.11 H new ATOM 0 HA SER A 142 8.107 -10.762 -1.008 1.00 44.42 H new ATOM 0 HB2 SER A 142 7.254 -11.649 -3.158 1.00 72.42 H new ATOM 0 HB3 SER A 142 7.657 -10.137 -3.948 1.00 72.42 H new ATOM 0 HG SER A 142 9.917 -10.579 -3.160 1.00 45.53 H new ATOM 2077 N LYS A 143 8.264 -7.888 -0.814 1.00 73.31 N ATOM 2078 CA LYS A 143 9.041 -6.729 -0.463 1.00 34.24 C ATOM 2079 C LYS A 143 10.136 -7.217 0.471 1.00 21.42 C ATOM 2080 O LYS A 143 9.915 -8.154 1.243 1.00 62.35 O ATOM 2081 CB LYS A 143 8.165 -5.693 0.263 1.00 25.21 C ATOM 2082 CG LYS A 143 8.924 -4.453 0.714 1.00 14.12 C ATOM 2083 CD LYS A 143 8.084 -3.575 1.612 1.00 75.10 C ATOM 2084 CE LYS A 143 8.900 -2.423 2.179 1.00 74.42 C ATOM 2085 NZ LYS A 143 8.142 -1.659 3.195 1.00 12.23 N ATOM 0 H LYS A 143 7.349 -7.923 -0.364 1.00 73.31 H new ATOM 0 HA LYS A 143 9.451 -6.250 -1.352 1.00 34.24 H new ATOM 0 HB2 LYS A 143 7.354 -5.390 -0.399 1.00 25.21 H new ATOM 0 HB3 LYS A 143 7.708 -6.164 1.133 1.00 25.21 H new ATOM 0 HG2 LYS A 143 9.829 -4.753 1.243 1.00 14.12 H new ATOM 0 HG3 LYS A 143 9.240 -3.883 -0.160 1.00 14.12 H new ATOM 0 HD2 LYS A 143 7.237 -3.181 1.050 1.00 75.10 H new ATOM 0 HD3 LYS A 143 7.676 -4.171 2.428 1.00 75.10 H new ATOM 0 HE2 LYS A 143 9.816 -2.811 2.625 1.00 74.42 H new ATOM 0 HE3 LYS A 143 9.198 -1.756 1.370 1.00 74.42 H new ATOM 0 HZ1 LYS A 143 8.754 -0.926 3.606 1.00 12.23 H new ATOM 0 HZ2 LYS A 143 7.317 -1.211 2.748 1.00 12.23 H new ATOM 0 HZ3 LYS A 143 7.822 -2.303 3.946 1.00 12.23 H new