USER MOD reduce.3.24.130724 H: found=0, std=0, add=1240, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1242 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 36 LYS NZ :NH3+ -156:sc= 2.46 (180deg=1.16) USER MOD Set 1.2: A 74 GLN : amide:sc= 0.956 K(o=3.4,f=-7.3!) USER MOD Set 2.1: A 62 TYR OH : rot 52:sc= 0.599 USER MOD Set 2.2: A 70 GLN : amide:sc= 0.568 K(o=1.2,f=-0.023) USER MOD Set 3.1: A 47 CYS SG : rot 86:sc= 1.3 USER MOD Set 3.2: A 51 CYS SG : rot 86:sc= 1.37 USER MOD Set 3.3: A 137 HIS : no HD1:sc= -0.0475 K(o=2.6,f=1.4) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.068 K(o=-0.068,f=-2.2) USER MOD Single : A 15 LYS NZ :NH3+ 167:sc= 1.24 (180deg=0.886) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 31 SER OG : rot 150:sc= 0.121 USER MOD Single : A 32 GLN : amide:sc= -0.0751 X(o=-0.075,f=-0.075) USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 45 THR OG1 : rot -55:sc= 1.25 USER MOD Single : A 53 THR OG1 : rot 80:sc= 1.16 USER MOD Single : A 54 THR OG1 : rot -40:sc= 1.14 USER MOD Single : A 59 LYS NZ :NH3+ -179:sc= -1.08 (180deg=-1.13) USER MOD Single : A 64 LYS NZ :NH3+ 157:sc= 1.17 (180deg=0.0924) USER MOD Single : A 68 LYS NZ :NH3+ 164:sc= 1.23 (180deg=0.469) USER MOD Single : A 79 SER OG : rot -121:sc= 1.25 USER MOD Single : A 93 TYR OH : rot 124:sc= 0.106 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0.354 (180deg=0.354) USER MOD Single : A 98 HIS : no HD1:sc= -0.389 X(o=-0.39,f=-0.49) USER MOD Single : A 100 SER OG : rot 148:sc= 1.7 USER MOD Single : A 105 SER OG : rot -160:sc= 1.24 USER MOD Single : A 107 SER OG : rot -65:sc= 1.31 USER MOD Single : A 116 GLN : amide:sc= -1.71 X(o=-1.7,f=-1.6) USER MOD Single : A 117 THR OG1 : rot 92:sc= 1.31 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 0.474 X(o=0.47,f=0) USER MOD Single : A 124 LYS NZ :NH3+ -159:sc= 2 (180deg=0.117) USER MOD Single : A 138 THR OG1 : rot 91:sc= 0.633 USER MOD Single : A 140 THR OG1 : rot 180:sc= -0.12 USER MOD Single : A 141 THR OG1 : rot -59:sc= 0.45 USER MOD Single : A 145 LYS NZ :NH3+ 176:sc= -0.13 (180deg=-0.315) USER MOD Single : A 153 TYR OH : rot -33:sc= 1.24 USER MOD Single : A 154 SER OG : rot 135:sc= 1.16 USER MOD Single : A 157 LYS NZ :NH3+ 167:sc= 0.968 (180deg=0.688) USER MOD Single : A 161 THR OG1 : rot -94:sc= 1.29 USER MOD Single : A 169 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 89 N TYR A 7 16.157 4.905 3.715 1.00 1.51 N ATOM 90 CA TYR A 7 16.290 3.442 3.719 1.00 1.34 C ATOM 91 C TYR A 7 15.457 2.744 2.635 1.00 1.36 C ATOM 92 O TYR A 7 15.801 1.625 2.243 1.00 1.46 O ATOM 93 CB TYR A 7 15.861 2.947 5.099 1.00 1.60 C ATOM 94 CG TYR A 7 16.078 1.475 5.404 1.00 1.42 C ATOM 95 CD1 TYR A 7 17.385 0.974 5.572 1.00 2.47 C ATOM 96 CD2 TYR A 7 14.973 0.626 5.618 1.00 2.06 C ATOM 97 CE1 TYR A 7 17.591 -0.367 5.952 1.00 2.89 C ATOM 98 CE2 TYR A 7 15.170 -0.712 6.014 1.00 2.36 C ATOM 99 CZ TYR A 7 16.480 -1.210 6.180 1.00 2.33 C ATOM 100 OH TYR A 7 16.678 -2.496 6.586 1.00 3.06 O ATOM 0 HA TYR A 7 17.328 3.195 3.498 1.00 1.34 H new ATOM 0 HB2 TYR A 7 16.395 3.530 5.849 1.00 1.60 H new ATOM 0 HB3 TYR A 7 14.800 3.165 5.222 1.00 1.60 H new ATOM 0 HD1 TYR A 7 18.233 1.622 5.408 1.00 2.47 H new ATOM 0 HD2 TYR A 7 13.971 1.003 5.478 1.00 2.06 H new ATOM 0 HE1 TYR A 7 18.594 -0.749 6.069 1.00 2.89 H new ATOM 0 HE2 TYR A 7 14.320 -1.355 6.190 1.00 2.36 H new ATOM 0 HH TYR A 7 15.812 -2.940 6.699 1.00 3.06 H new ATOM 110 N GLY A 8 14.394 3.372 2.128 1.00 1.00 N ATOM 111 CA GLY A 8 13.748 2.955 0.881 1.00 0.95 C ATOM 112 C GLY A 8 14.569 3.362 -0.344 1.00 1.07 C ATOM 113 O GLY A 8 15.605 4.027 -0.246 1.00 1.34 O ATOM 0 H GLY A 8 13.958 4.182 2.569 1.00 1.00 H new ATOM 0 HA2 GLY A 8 13.612 1.874 0.885 1.00 0.95 H new ATOM 0 HA3 GLY A 8 12.755 3.401 0.818 1.00 0.95 H new ATOM 117 N THR A 9 14.091 2.977 -1.532 1.00 0.93 N ATOM 118 CA THR A 9 14.730 3.360 -2.801 1.00 0.98 C ATOM 119 C THR A 9 14.232 4.744 -3.176 1.00 1.12 C ATOM 120 O THR A 9 13.168 4.896 -3.781 1.00 1.08 O ATOM 121 CB THR A 9 14.467 2.369 -3.931 1.00 1.17 C ATOM 122 OG1 THR A 9 14.550 1.054 -3.449 1.00 1.30 O ATOM 123 CG2 THR A 9 15.469 2.527 -5.075 1.00 1.29 C ATOM 0 H THR A 9 13.259 2.397 -1.644 1.00 0.93 H new ATOM 0 HA THR A 9 15.810 3.358 -2.656 1.00 0.98 H new ATOM 0 HB THR A 9 13.466 2.577 -4.310 1.00 1.17 H new ATOM 0 HG1 THR A 9 14.378 0.426 -4.181 1.00 1.30 H new ATOM 0 HG21 THR A 9 15.245 1.802 -5.858 1.00 1.29 H new ATOM 0 HG22 THR A 9 15.399 3.535 -5.483 1.00 1.29 H new ATOM 0 HG23 THR A 9 16.478 2.356 -4.701 1.00 1.29 H new ATOM 131 N ARG A 10 14.979 5.761 -2.757 1.00 0.89 N ATOM 132 CA ARG A 10 14.632 7.154 -3.019 1.00 0.89 C ATOM 133 C ARG A 10 14.895 7.531 -4.478 1.00 1.32 C ATOM 134 O ARG A 10 15.962 7.266 -5.029 1.00 1.54 O ATOM 135 CB ARG A 10 15.286 8.101 -2.003 1.00 0.95 C ATOM 136 CG ARG A 10 14.893 9.547 -2.336 1.00 1.33 C ATOM 137 CD ARG A 10 15.269 10.560 -1.260 1.00 1.89 C ATOM 138 NE ARG A 10 15.169 11.916 -1.837 1.00 2.21 N ATOM 139 CZ ARG A 10 16.173 12.752 -2.090 1.00 3.02 C ATOM 140 NH1 ARG A 10 17.374 12.578 -1.583 1.00 4.26 N ATOM 141 NH2 ARG A 10 15.985 13.790 -2.878 1.00 3.53 N ATOM 0 H ARG A 10 15.842 5.643 -2.226 1.00 0.89 H new ATOM 0 HA ARG A 10 13.558 7.271 -2.875 1.00 0.89 H new ATOM 0 HB2 ARG A 10 14.965 7.848 -0.993 1.00 0.95 H new ATOM 0 HB3 ARG A 10 16.370 7.991 -2.030 1.00 0.95 H new ATOM 0 HG2 ARG A 10 15.370 9.835 -3.273 1.00 1.33 H new ATOM 0 HG3 ARG A 10 13.816 9.591 -2.500 1.00 1.33 H new ATOM 0 HD2 ARG A 10 14.605 10.464 -0.401 1.00 1.89 H new ATOM 0 HD3 ARG A 10 16.282 10.374 -0.902 1.00 1.89 H new ATOM 0 HE ARG A 10 14.232 12.246 -2.066 1.00 2.21 H new ATOM 0 HH11 ARG A 10 17.560 11.781 -0.974 1.00 4.26 H new ATOM 0 HH12 ARG A 10 18.120 13.240 -1.799 1.00 4.26 H new ATOM 0 HH21 ARG A 10 15.069 13.954 -3.295 1.00 3.53 H new ATOM 0 HH22 ARG A 10 16.755 14.430 -3.071 1.00 3.53 H new ATOM 155 N LEU A 11 13.896 8.168 -5.090 1.00 0.98 N ATOM 156 CA LEU A 11 13.880 8.504 -6.512 1.00 1.06 C ATOM 157 C LEU A 11 14.339 9.949 -6.757 1.00 1.56 C ATOM 158 O LEU A 11 14.391 10.768 -5.838 1.00 2.10 O ATOM 159 CB LEU A 11 12.471 8.206 -7.074 1.00 0.92 C ATOM 160 CG LEU A 11 11.986 6.752 -6.835 1.00 1.00 C ATOM 161 CD1 LEU A 11 10.569 6.578 -7.385 1.00 0.96 C ATOM 162 CD2 LEU A 11 12.915 5.704 -7.470 1.00 1.20 C ATOM 0 H LEU A 11 13.056 8.471 -4.598 1.00 0.98 H new ATOM 0 HA LEU A 11 14.598 7.885 -7.050 1.00 1.06 H new ATOM 0 HB2 LEU A 11 11.758 8.894 -6.620 1.00 0.92 H new ATOM 0 HB3 LEU A 11 12.470 8.406 -8.145 1.00 0.92 H new ATOM 0 HG LEU A 11 11.997 6.587 -5.758 1.00 1.00 H new ATOM 0 HD11 LEU A 11 10.235 5.555 -7.214 1.00 0.96 H new ATOM 0 HD12 LEU A 11 9.895 7.269 -6.879 1.00 0.96 H new ATOM 0 HD13 LEU A 11 10.566 6.786 -8.455 1.00 0.96 H new ATOM 0 HD21 LEU A 11 12.527 4.705 -7.271 1.00 1.20 H new ATOM 0 HD22 LEU A 11 12.964 5.866 -8.547 1.00 1.20 H new ATOM 0 HD23 LEU A 11 13.914 5.797 -7.043 1.00 1.20 H new ATOM 174 N LEU A 12 14.695 10.243 -8.012 1.00 1.33 N ATOM 175 CA LEU A 12 15.156 11.564 -8.465 1.00 1.49 C ATOM 176 C LEU A 12 14.090 12.243 -9.333 1.00 1.82 C ATOM 177 O LEU A 12 13.652 13.341 -9.011 1.00 2.25 O ATOM 178 CB LEU A 12 16.494 11.435 -9.220 1.00 1.74 C ATOM 179 CG LEU A 12 17.737 11.351 -8.304 1.00 1.85 C ATOM 180 CD1 LEU A 12 17.865 10.017 -7.551 1.00 2.64 C ATOM 181 CD2 LEU A 12 18.991 11.566 -9.159 1.00 3.09 C ATOM 0 H LEU A 12 14.671 9.552 -8.762 1.00 1.33 H new ATOM 0 HA LEU A 12 15.321 12.194 -7.591 1.00 1.49 H new ATOM 0 HB2 LEU A 12 16.459 10.544 -9.848 1.00 1.74 H new ATOM 0 HB3 LEU A 12 16.606 12.290 -9.886 1.00 1.74 H new ATOM 0 HG LEU A 12 17.625 12.125 -7.545 1.00 1.85 H new ATOM 0 HD11 LEU A 12 18.760 10.034 -6.930 1.00 2.64 H new ATOM 0 HD12 LEU A 12 16.988 9.870 -6.920 1.00 2.64 H new ATOM 0 HD13 LEU A 12 17.937 9.200 -8.269 1.00 2.64 H new ATOM 0 HD21 LEU A 12 19.877 11.510 -8.526 1.00 3.09 H new ATOM 0 HD22 LEU A 12 19.044 10.795 -9.927 1.00 3.09 H new ATOM 0 HD23 LEU A 12 18.945 12.547 -9.632 1.00 3.09 H new ATOM 193 N ASN A 13 13.634 11.575 -10.399 1.00 1.49 N ATOM 194 CA ASN A 13 12.482 12.005 -11.197 1.00 1.57 C ATOM 195 C ASN A 13 11.204 11.314 -10.669 1.00 1.40 C ATOM 196 O ASN A 13 11.095 10.093 -10.816 1.00 1.45 O ATOM 197 CB ASN A 13 12.734 11.674 -12.678 1.00 1.85 C ATOM 198 CG ASN A 13 11.598 12.134 -13.595 1.00 2.79 C ATOM 199 OD1 ASN A 13 10.677 12.833 -13.195 1.00 3.71 O ATOM 200 ND2 ASN A 13 11.635 11.752 -14.856 1.00 3.35 N ATOM 0 H ASN A 13 14.060 10.711 -10.735 1.00 1.49 H new ATOM 0 HA ASN A 13 12.343 13.083 -11.110 1.00 1.57 H new ATOM 0 HB2 ASN A 13 13.664 12.145 -12.997 1.00 1.85 H new ATOM 0 HB3 ASN A 13 12.868 10.598 -12.786 1.00 1.85 H new ATOM 0 HD21 ASN A 13 10.896 12.039 -15.498 1.00 3.35 H new ATOM 0 HD22 ASN A 13 12.403 11.169 -15.190 1.00 3.35 H new ATOM 207 N PRO A 14 10.256 12.046 -10.050 1.00 1.31 N ATOM 208 CA PRO A 14 9.118 11.439 -9.376 1.00 1.12 C ATOM 209 C PRO A 14 8.008 11.058 -10.367 1.00 1.24 C ATOM 210 O PRO A 14 7.341 11.901 -10.968 1.00 1.51 O ATOM 211 CB PRO A 14 8.700 12.466 -8.327 1.00 1.32 C ATOM 212 CG PRO A 14 9.047 13.801 -8.989 1.00 1.56 C ATOM 213 CD PRO A 14 10.326 13.471 -9.751 1.00 1.61 C ATOM 0 HA PRO A 14 9.360 10.489 -8.901 1.00 1.12 H new ATOM 0 HB2 PRO A 14 7.637 12.395 -8.095 1.00 1.32 H new ATOM 0 HB3 PRO A 14 9.240 12.328 -7.390 1.00 1.32 H new ATOM 0 HG2 PRO A 14 8.254 14.141 -9.655 1.00 1.56 H new ATOM 0 HG3 PRO A 14 9.205 14.589 -8.253 1.00 1.56 H new ATOM 0 HD2 PRO A 14 10.398 14.059 -10.666 1.00 1.61 H new ATOM 0 HD3 PRO A 14 11.208 13.702 -9.153 1.00 1.61 H new ATOM 221 N LYS A 15 7.814 9.749 -10.549 1.00 0.80 N ATOM 222 CA LYS A 15 7.032 9.186 -11.657 1.00 0.99 C ATOM 223 C LYS A 15 5.514 9.365 -11.433 1.00 1.19 C ATOM 224 O LYS A 15 4.990 8.829 -10.457 1.00 1.26 O ATOM 225 CB LYS A 15 7.428 7.710 -11.827 1.00 1.18 C ATOM 226 CG LYS A 15 7.170 7.072 -13.203 1.00 1.55 C ATOM 227 CD LYS A 15 5.725 6.768 -13.617 1.00 1.81 C ATOM 228 CE LYS A 15 5.030 5.763 -12.693 1.00 2.03 C ATOM 229 NZ LYS A 15 3.704 5.385 -13.235 1.00 3.14 N ATOM 0 H LYS A 15 8.199 9.041 -9.925 1.00 0.80 H new ATOM 0 HA LYS A 15 7.257 9.724 -12.578 1.00 0.99 H new ATOM 0 HB2 LYS A 15 8.491 7.617 -11.604 1.00 1.18 H new ATOM 0 HB3 LYS A 15 6.893 7.127 -11.078 1.00 1.18 H new ATOM 0 HG2 LYS A 15 7.598 7.732 -13.958 1.00 1.55 H new ATOM 0 HG3 LYS A 15 7.729 6.137 -13.243 1.00 1.55 H new ATOM 0 HD2 LYS A 15 5.154 7.697 -13.628 1.00 1.81 H new ATOM 0 HD3 LYS A 15 5.720 6.379 -14.635 1.00 1.81 H new ATOM 0 HE2 LYS A 15 5.650 4.874 -12.582 1.00 2.03 H new ATOM 0 HE3 LYS A 15 4.913 6.195 -11.699 1.00 2.03 H new ATOM 0 HZ1 LYS A 15 3.345 4.552 -12.726 1.00 3.14 H new ATOM 0 HZ2 LYS A 15 3.041 6.177 -13.114 1.00 3.14 H new ATOM 0 HZ3 LYS A 15 3.794 5.160 -14.246 1.00 3.14 H new ATOM 243 N PRO A 16 4.792 10.066 -12.327 1.00 1.11 N ATOM 244 CA PRO A 16 3.383 10.408 -12.145 1.00 1.12 C ATOM 245 C PRO A 16 2.485 9.171 -12.235 1.00 1.20 C ATOM 246 O PRO A 16 2.791 8.224 -12.961 1.00 1.16 O ATOM 247 CB PRO A 16 3.076 11.464 -13.212 1.00 1.35 C ATOM 248 CG PRO A 16 4.087 11.178 -14.319 1.00 1.38 C ATOM 249 CD PRO A 16 5.295 10.588 -13.584 1.00 1.28 C ATOM 0 HA PRO A 16 3.182 10.807 -11.151 1.00 1.12 H new ATOM 0 HB2 PRO A 16 2.052 11.378 -13.575 1.00 1.35 H new ATOM 0 HB3 PRO A 16 3.191 12.474 -12.818 1.00 1.35 H new ATOM 0 HG2 PRO A 16 3.687 10.478 -15.052 1.00 1.38 H new ATOM 0 HG3 PRO A 16 4.354 12.087 -14.858 1.00 1.38 H new ATOM 0 HD2 PRO A 16 5.762 9.799 -14.174 1.00 1.28 H new ATOM 0 HD3 PRO A 16 6.056 11.350 -13.412 1.00 1.28 H new ATOM 257 N VAL A 17 1.390 9.193 -11.469 1.00 0.79 N ATOM 258 CA VAL A 17 0.443 8.086 -11.278 1.00 0.70 C ATOM 259 C VAL A 17 -0.944 8.621 -10.894 1.00 1.20 C ATOM 260 O VAL A 17 -1.063 9.540 -10.083 1.00 1.25 O ATOM 261 CB VAL A 17 0.901 7.096 -10.169 1.00 0.70 C ATOM 262 CG1 VAL A 17 2.054 6.197 -10.641 1.00 0.86 C ATOM 263 CG2 VAL A 17 1.355 7.773 -8.860 1.00 0.84 C ATOM 0 H VAL A 17 1.125 10.023 -10.939 1.00 0.79 H new ATOM 0 HA VAL A 17 0.402 7.555 -12.229 1.00 0.70 H new ATOM 0 HB VAL A 17 0.005 6.510 -9.964 1.00 0.70 H new ATOM 0 HG11 VAL A 17 2.342 5.522 -9.835 1.00 0.86 H new ATOM 0 HG12 VAL A 17 1.732 5.615 -11.505 1.00 0.86 H new ATOM 0 HG13 VAL A 17 2.908 6.816 -10.918 1.00 0.86 H new ATOM 0 HG21 VAL A 17 1.657 7.011 -8.142 1.00 0.84 H new ATOM 0 HG22 VAL A 17 2.198 8.433 -9.065 1.00 0.84 H new ATOM 0 HG23 VAL A 17 0.531 8.355 -8.446 1.00 0.84 H new ATOM 273 N ASP A 18 -1.987 7.972 -11.402 1.00 0.84 N ATOM 274 CA ASP A 18 -3.237 7.804 -10.661 1.00 0.68 C ATOM 275 C ASP A 18 -3.683 6.335 -10.749 1.00 0.84 C ATOM 276 O ASP A 18 -2.956 5.503 -11.288 1.00 1.32 O ATOM 277 CB ASP A 18 -4.291 8.892 -10.990 1.00 0.87 C ATOM 278 CG ASP A 18 -5.205 8.696 -12.207 1.00 1.74 C ATOM 279 OD1 ASP A 18 -5.852 7.633 -12.307 1.00 2.45 O ATOM 280 OD2 ASP A 18 -5.500 9.700 -12.889 1.00 2.96 O ATOM 0 H ASP A 18 -1.993 7.550 -12.331 1.00 0.84 H new ATOM 0 HA ASP A 18 -3.079 7.994 -9.599 1.00 0.68 H new ATOM 0 HB2 ASP A 18 -4.929 9.008 -10.114 1.00 0.87 H new ATOM 0 HB3 ASP A 18 -3.760 9.835 -11.125 1.00 0.87 H new ATOM 285 N PHE A 19 -4.840 5.995 -10.183 1.00 0.67 N ATOM 286 CA PHE A 19 -5.506 4.721 -10.435 1.00 0.68 C ATOM 287 C PHE A 19 -7.006 4.833 -10.145 1.00 1.49 C ATOM 288 O PHE A 19 -7.443 5.781 -9.485 1.00 1.69 O ATOM 289 CB PHE A 19 -4.857 3.567 -9.648 1.00 0.77 C ATOM 290 CG PHE A 19 -5.026 3.615 -8.141 1.00 0.92 C ATOM 291 CD1 PHE A 19 -6.144 3.009 -7.533 1.00 1.77 C ATOM 292 CD2 PHE A 19 -4.054 4.238 -7.340 1.00 1.97 C ATOM 293 CE1 PHE A 19 -6.290 3.039 -6.135 1.00 1.78 C ATOM 294 CE2 PHE A 19 -4.196 4.261 -5.939 1.00 1.84 C ATOM 295 CZ PHE A 19 -5.314 3.660 -5.337 1.00 1.14 C ATOM 0 H PHE A 19 -5.343 6.600 -9.534 1.00 0.67 H new ATOM 0 HA PHE A 19 -5.383 4.483 -11.492 1.00 0.68 H new ATOM 0 HB2 PHE A 19 -5.272 2.627 -10.011 1.00 0.77 H new ATOM 0 HB3 PHE A 19 -3.791 3.553 -9.874 1.00 0.77 H new ATOM 0 HD1 PHE A 19 -6.890 2.521 -8.142 1.00 1.77 H new ATOM 0 HD2 PHE A 19 -3.194 4.701 -7.801 1.00 1.97 H new ATOM 0 HE1 PHE A 19 -7.154 2.584 -5.673 1.00 1.78 H new ATOM 0 HE2 PHE A 19 -3.446 4.740 -5.328 1.00 1.84 H new ATOM 0 HZ PHE A 19 -5.423 3.675 -4.263 1.00 1.14 H new ATOM 305 N ALA A 20 -7.776 3.840 -10.600 1.00 0.65 N ATOM 306 CA ALA A 20 -9.200 3.666 -10.322 1.00 0.63 C ATOM 307 C ALA A 20 -9.473 2.227 -9.852 1.00 0.80 C ATOM 308 O ALA A 20 -9.220 1.292 -10.602 1.00 0.88 O ATOM 309 CB ALA A 20 -9.958 3.981 -11.621 1.00 0.73 C ATOM 0 H ALA A 20 -7.404 3.103 -11.199 1.00 0.65 H new ATOM 0 HA ALA A 20 -9.531 4.333 -9.526 1.00 0.63 H new ATOM 0 HB1 ALA A 20 -11.029 3.862 -11.455 1.00 0.73 H new ATOM 0 HB2 ALA A 20 -9.749 5.007 -11.924 1.00 0.73 H new ATOM 0 HB3 ALA A 20 -9.634 3.297 -12.406 1.00 0.73 H new ATOM 315 N LEU A 21 -9.977 2.055 -8.623 1.00 0.61 N ATOM 316 CA LEU A 21 -10.323 0.766 -8.020 1.00 0.60 C ATOM 317 C LEU A 21 -11.600 0.864 -7.165 1.00 0.87 C ATOM 318 O LEU A 21 -12.070 1.966 -6.877 1.00 1.06 O ATOM 319 CB LEU A 21 -9.087 0.290 -7.236 1.00 0.75 C ATOM 320 CG LEU A 21 -9.107 -1.161 -6.722 1.00 1.24 C ATOM 321 CD1 LEU A 21 -9.412 -2.168 -7.832 1.00 1.64 C ATOM 322 CD2 LEU A 21 -7.730 -1.446 -6.121 1.00 2.06 C ATOM 0 H LEU A 21 -10.161 2.841 -8.000 1.00 0.61 H new ATOM 0 HA LEU A 21 -10.568 0.026 -8.782 1.00 0.60 H new ATOM 0 HB2 LEU A 21 -8.212 0.412 -7.874 1.00 0.75 H new ATOM 0 HB3 LEU A 21 -8.952 0.952 -6.380 1.00 0.75 H new ATOM 0 HG LEU A 21 -9.900 -1.270 -5.982 1.00 1.24 H new ATOM 0 HD11 LEU A 21 -9.415 -3.176 -7.418 1.00 1.64 H new ATOM 0 HD12 LEU A 21 -10.389 -1.950 -8.263 1.00 1.64 H new ATOM 0 HD13 LEU A 21 -8.650 -2.096 -8.608 1.00 1.64 H new ATOM 0 HD21 LEU A 21 -7.702 -2.468 -5.744 1.00 2.06 H new ATOM 0 HD22 LEU A 21 -6.965 -1.321 -6.888 1.00 2.06 H new ATOM 0 HD23 LEU A 21 -7.540 -0.752 -5.302 1.00 2.06 H new ATOM 334 N GLU A 22 -12.162 -0.277 -6.767 1.00 0.56 N ATOM 335 CA GLU A 22 -13.389 -0.364 -5.975 1.00 0.51 C ATOM 336 C GLU A 22 -13.078 -0.573 -4.485 1.00 0.92 C ATOM 337 O GLU A 22 -12.034 -1.103 -4.100 1.00 1.16 O ATOM 338 CB GLU A 22 -14.299 -1.484 -6.518 1.00 0.62 C ATOM 339 CG GLU A 22 -14.849 -1.198 -7.932 1.00 1.54 C ATOM 340 CD GLU A 22 -14.560 -2.317 -8.943 1.00 2.31 C ATOM 341 OE1 GLU A 22 -15.090 -3.435 -8.789 1.00 2.82 O ATOM 342 OE2 GLU A 22 -13.753 -2.113 -9.875 1.00 3.33 O ATOM 0 H GLU A 22 -11.767 -1.190 -6.992 1.00 0.56 H new ATOM 0 HA GLU A 22 -13.921 0.583 -6.065 1.00 0.51 H new ATOM 0 HB2 GLU A 22 -13.739 -2.419 -6.537 1.00 0.62 H new ATOM 0 HB3 GLU A 22 -15.135 -1.626 -5.833 1.00 0.62 H new ATOM 0 HG2 GLU A 22 -15.927 -1.046 -7.870 1.00 1.54 H new ATOM 0 HG3 GLU A 22 -14.416 -0.267 -8.299 1.00 1.54 H new ATOM 349 N GLY A 23 -14.009 -0.103 -3.652 1.00 0.52 N ATOM 350 CA GLY A 23 -14.028 -0.246 -2.194 1.00 0.51 C ATOM 351 C GLY A 23 -15.449 -0.519 -1.681 1.00 0.66 C ATOM 352 O GLY A 23 -16.396 -0.487 -2.473 1.00 0.79 O ATOM 0 H GLY A 23 -14.816 0.417 -3.996 1.00 0.52 H new ATOM 0 HA2 GLY A 23 -13.369 -1.062 -1.897 1.00 0.51 H new ATOM 0 HA3 GLY A 23 -13.640 0.662 -1.732 1.00 0.51 H new ATOM 356 N PRO A 24 -15.643 -0.733 -0.365 1.00 0.57 N ATOM 357 CA PRO A 24 -16.917 -1.157 0.237 1.00 0.74 C ATOM 358 C PRO A 24 -17.940 -0.004 0.367 1.00 1.04 C ATOM 359 O PRO A 24 -18.704 0.063 1.328 1.00 1.26 O ATOM 360 CB PRO A 24 -16.504 -1.759 1.585 1.00 0.85 C ATOM 361 CG PRO A 24 -15.330 -0.872 1.990 1.00 0.81 C ATOM 362 CD PRO A 24 -14.606 -0.659 0.663 1.00 0.63 C ATOM 0 HA PRO A 24 -17.449 -1.877 -0.385 1.00 0.74 H new ATOM 0 HB2 PRO A 24 -17.314 -1.720 2.313 1.00 0.85 H new ATOM 0 HB3 PRO A 24 -16.211 -2.805 1.491 1.00 0.85 H new ATOM 0 HG2 PRO A 24 -15.664 0.069 2.426 1.00 0.81 H new ATOM 0 HG3 PRO A 24 -14.691 -1.356 2.728 1.00 0.81 H new ATOM 0 HD2 PRO A 24 -14.101 0.307 0.642 1.00 0.63 H new ATOM 0 HD3 PRO A 24 -13.843 -1.421 0.506 1.00 0.63 H new ATOM 370 N GLN A 25 -17.928 0.941 -0.576 1.00 0.86 N ATOM 371 CA GLN A 25 -18.598 2.242 -0.471 1.00 1.00 C ATOM 372 C GLN A 25 -18.687 2.989 -1.817 1.00 1.17 C ATOM 373 O GLN A 25 -18.950 4.189 -1.831 1.00 1.57 O ATOM 374 CB GLN A 25 -17.888 3.094 0.602 1.00 1.18 C ATOM 375 CG GLN A 25 -16.413 3.393 0.270 1.00 2.99 C ATOM 376 CD GLN A 25 -15.805 4.338 1.297 1.00 3.57 C ATOM 377 OE1 GLN A 25 -15.027 3.954 2.152 1.00 4.13 O ATOM 378 NE2 GLN A 25 -16.160 5.603 1.276 1.00 4.31 N ATOM 0 H GLN A 25 -17.437 0.819 -1.462 1.00 0.86 H new ATOM 0 HA GLN A 25 -19.630 2.062 -0.172 1.00 1.00 H new ATOM 0 HB2 GLN A 25 -18.424 4.036 0.721 1.00 1.18 H new ATOM 0 HB3 GLN A 25 -17.939 2.575 1.559 1.00 1.18 H new ATOM 0 HG2 GLN A 25 -15.846 2.462 0.246 1.00 2.99 H new ATOM 0 HG3 GLN A 25 -16.342 3.835 -0.724 1.00 2.99 H new ATOM 0 HE21 GLN A 25 -16.811 5.938 0.566 1.00 4.31 H new ATOM 0 HE22 GLN A 25 -15.785 6.250 1.970 1.00 4.31 H new ATOM 387 N GLY A 26 -18.419 2.313 -2.945 1.00 0.90 N ATOM 388 CA GLY A 26 -18.217 2.938 -4.255 1.00 0.91 C ATOM 389 C GLY A 26 -16.745 2.917 -4.709 1.00 0.93 C ATOM 390 O GLY A 26 -15.893 2.336 -4.026 1.00 1.08 O ATOM 0 H GLY A 26 -18.336 1.297 -2.969 1.00 0.90 H new ATOM 0 HA2 GLY A 26 -18.828 2.422 -4.996 1.00 0.91 H new ATOM 0 HA3 GLY A 26 -18.566 3.970 -4.217 1.00 0.91 H new ATOM 394 N PRO A 27 -16.448 3.484 -5.891 1.00 0.81 N ATOM 395 CA PRO A 27 -15.105 3.539 -6.456 1.00 0.94 C ATOM 396 C PRO A 27 -14.246 4.601 -5.761 1.00 1.14 C ATOM 397 O PRO A 27 -14.742 5.647 -5.350 1.00 1.06 O ATOM 398 CB PRO A 27 -15.303 3.855 -7.940 1.00 1.05 C ATOM 399 CG PRO A 27 -16.589 4.685 -7.947 1.00 0.99 C ATOM 400 CD PRO A 27 -17.412 4.055 -6.821 1.00 0.86 C ATOM 0 HA PRO A 27 -14.571 2.599 -6.316 1.00 0.94 H new ATOM 0 HB2 PRO A 27 -14.461 4.412 -8.350 1.00 1.05 H new ATOM 0 HB3 PRO A 27 -15.405 2.948 -8.536 1.00 1.05 H new ATOM 0 HG2 PRO A 27 -16.389 5.740 -7.759 1.00 0.99 H new ATOM 0 HG3 PRO A 27 -17.104 4.624 -8.906 1.00 0.99 H new ATOM 0 HD2 PRO A 27 -18.035 4.802 -6.328 1.00 0.86 H new ATOM 0 HD3 PRO A 27 -18.081 3.287 -7.209 1.00 0.86 H new ATOM 408 N VAL A 28 -12.938 4.343 -5.681 1.00 0.75 N ATOM 409 CA VAL A 28 -11.932 5.252 -5.111 1.00 0.78 C ATOM 410 C VAL A 28 -10.806 5.444 -6.130 1.00 0.94 C ATOM 411 O VAL A 28 -10.393 4.500 -6.808 1.00 0.88 O ATOM 412 CB VAL A 28 -11.393 4.729 -3.752 1.00 0.90 C ATOM 413 CG1 VAL A 28 -10.310 5.657 -3.171 1.00 1.30 C ATOM 414 CG2 VAL A 28 -12.530 4.602 -2.718 1.00 1.64 C ATOM 0 H VAL A 28 -12.534 3.470 -6.021 1.00 0.75 H new ATOM 0 HA VAL A 28 -12.396 6.216 -4.904 1.00 0.78 H new ATOM 0 HB VAL A 28 -10.957 3.750 -3.949 1.00 0.90 H new ATOM 0 HG11 VAL A 28 -9.959 5.256 -2.220 1.00 1.30 H new ATOM 0 HG12 VAL A 28 -9.474 5.722 -3.868 1.00 1.30 H new ATOM 0 HG13 VAL A 28 -10.729 6.651 -3.013 1.00 1.30 H new ATOM 0 HG21 VAL A 28 -12.125 4.234 -1.775 1.00 1.64 H new ATOM 0 HG22 VAL A 28 -12.988 5.578 -2.559 1.00 1.64 H new ATOM 0 HG23 VAL A 28 -13.281 3.904 -3.087 1.00 1.64 H new ATOM 424 N ARG A 29 -10.320 6.683 -6.245 1.00 0.72 N ATOM 425 CA ARG A 29 -9.227 7.068 -7.147 1.00 0.68 C ATOM 426 C ARG A 29 -8.086 7.730 -6.378 1.00 1.13 C ATOM 427 O ARG A 29 -8.323 8.411 -5.383 1.00 1.40 O ATOM 428 CB ARG A 29 -9.734 8.056 -8.213 1.00 0.82 C ATOM 429 CG ARG A 29 -10.477 7.383 -9.380 1.00 0.88 C ATOM 430 CD ARG A 29 -10.960 8.386 -10.444 1.00 1.32 C ATOM 431 NE ARG A 29 -9.932 9.363 -10.849 1.00 2.13 N ATOM 432 CZ ARG A 29 -8.841 9.157 -11.578 1.00 3.12 C ATOM 433 NH1 ARG A 29 -8.529 7.982 -12.071 1.00 3.62 N ATOM 434 NH2 ARG A 29 -8.017 10.157 -11.799 1.00 4.54 N ATOM 0 H ARG A 29 -10.683 7.466 -5.701 1.00 0.72 H new ATOM 0 HA ARG A 29 -8.862 6.158 -7.623 1.00 0.68 H new ATOM 0 HB2 ARG A 29 -10.399 8.778 -7.739 1.00 0.82 H new ATOM 0 HB3 ARG A 29 -8.886 8.616 -8.609 1.00 0.82 H new ATOM 0 HG2 ARG A 29 -9.818 6.652 -9.850 1.00 0.88 H new ATOM 0 HG3 ARG A 29 -11.334 6.835 -8.990 1.00 0.88 H new ATOM 0 HD2 ARG A 29 -11.292 7.836 -11.324 1.00 1.32 H new ATOM 0 HD3 ARG A 29 -11.826 8.923 -10.058 1.00 1.32 H new ATOM 0 HE ARG A 29 -10.078 10.320 -10.528 1.00 2.13 H new ATOM 0 HH11 ARG A 29 -9.135 7.180 -11.900 1.00 3.62 H new ATOM 0 HH12 ARG A 29 -7.680 7.871 -12.626 1.00 3.62 H new ATOM 0 HH21 ARG A 29 -8.219 11.079 -11.412 1.00 4.54 H new ATOM 0 HH22 ARG A 29 -7.176 10.011 -12.357 1.00 4.54 H new ATOM 448 N LEU A 30 -6.854 7.660 -6.900 1.00 0.68 N ATOM 449 CA LEU A 30 -5.733 8.433 -6.339 1.00 0.83 C ATOM 450 C LEU A 30 -5.932 9.954 -6.472 1.00 1.24 C ATOM 451 O LEU A 30 -5.398 10.707 -5.668 1.00 1.39 O ATOM 452 CB LEU A 30 -4.399 7.941 -6.932 1.00 0.88 C ATOM 453 CG LEU A 30 -3.122 8.451 -6.223 1.00 1.28 C ATOM 454 CD1 LEU A 30 -3.141 8.207 -4.706 1.00 2.10 C ATOM 455 CD2 LEU A 30 -1.889 7.747 -6.808 1.00 1.77 C ATOM 0 H LEU A 30 -6.607 7.082 -7.703 1.00 0.68 H new ATOM 0 HA LEU A 30 -5.702 8.252 -5.265 1.00 0.83 H new ATOM 0 HB2 LEU A 30 -4.393 6.851 -6.912 1.00 0.88 H new ATOM 0 HB3 LEU A 30 -4.355 8.240 -7.979 1.00 0.88 H new ATOM 0 HG LEU A 30 -3.082 9.527 -6.391 1.00 1.28 H new ATOM 0 HD11 LEU A 30 -2.219 8.586 -4.265 1.00 2.10 H new ATOM 0 HD12 LEU A 30 -3.993 8.724 -4.265 1.00 2.10 H new ATOM 0 HD13 LEU A 30 -3.224 7.138 -4.510 1.00 2.10 H new ATOM 0 HD21 LEU A 30 -0.991 8.109 -6.306 1.00 1.77 H new ATOM 0 HD22 LEU A 30 -1.979 6.671 -6.659 1.00 1.77 H new ATOM 0 HD23 LEU A 30 -1.820 7.961 -7.875 1.00 1.77 H new ATOM 467 N SER A 31 -6.795 10.419 -7.378 1.00 1.05 N ATOM 468 CA SER A 31 -7.279 11.812 -7.407 1.00 1.27 C ATOM 469 C SER A 31 -8.110 12.232 -6.176 1.00 1.40 C ATOM 470 O SER A 31 -8.475 13.398 -6.076 1.00 1.89 O ATOM 471 CB SER A 31 -8.058 12.080 -8.703 1.00 1.58 C ATOM 472 OG SER A 31 -9.286 11.362 -8.753 1.00 2.10 O ATOM 0 H SER A 31 -7.184 9.839 -8.121 1.00 1.05 H new ATOM 0 HA SER A 31 -6.384 12.433 -7.374 1.00 1.27 H new ATOM 0 HB2 SER A 31 -8.260 13.148 -8.789 1.00 1.58 H new ATOM 0 HB3 SER A 31 -7.442 11.802 -9.559 1.00 1.58 H new ATOM 0 HG SER A 31 -9.940 11.869 -9.278 1.00 2.10 H new ATOM 478 N GLN A 32 -8.415 11.333 -5.228 1.00 0.95 N ATOM 479 CA GLN A 32 -8.929 11.712 -3.907 1.00 1.05 C ATOM 480 C GLN A 32 -7.800 12.130 -2.940 1.00 1.35 C ATOM 481 O GLN A 32 -8.099 12.614 -1.853 1.00 1.57 O ATOM 482 CB GLN A 32 -9.730 10.541 -3.295 1.00 1.23 C ATOM 483 CG GLN A 32 -10.943 10.071 -4.113 1.00 1.36 C ATOM 484 CD GLN A 32 -11.909 11.195 -4.477 1.00 1.93 C ATOM 485 OE1 GLN A 32 -12.024 11.568 -5.633 1.00 2.63 O ATOM 486 NE2 GLN A 32 -12.618 11.773 -3.523 1.00 2.46 N ATOM 0 H GLN A 32 -8.312 10.326 -5.357 1.00 0.95 H new ATOM 0 HA GLN A 32 -9.580 12.574 -4.048 1.00 1.05 H new ATOM 0 HB2 GLN A 32 -9.056 9.695 -3.158 1.00 1.23 H new ATOM 0 HB3 GLN A 32 -10.075 10.838 -2.304 1.00 1.23 H new ATOM 0 HG2 GLN A 32 -10.591 9.596 -5.028 1.00 1.36 H new ATOM 0 HG3 GLN A 32 -11.481 9.311 -3.546 1.00 1.36 H new ATOM 0 HE21 GLN A 32 -12.522 11.461 -2.556 1.00 2.46 H new ATOM 0 HE22 GLN A 32 -13.261 12.531 -3.753 1.00 2.46 H new ATOM 495 N PHE A 33 -6.521 11.931 -3.302 1.00 0.87 N ATOM 496 CA PHE A 33 -5.388 12.072 -2.386 1.00 1.03 C ATOM 497 C PHE A 33 -4.094 12.591 -3.057 1.00 2.12 C ATOM 498 O PHE A 33 -3.017 12.369 -2.504 1.00 2.59 O ATOM 499 CB PHE A 33 -5.114 10.716 -1.706 1.00 1.21 C ATOM 500 CG PHE A 33 -6.284 9.849 -1.269 1.00 1.01 C ATOM 501 CD1 PHE A 33 -7.034 10.179 -0.122 1.00 2.03 C ATOM 502 CD2 PHE A 33 -6.586 8.665 -1.975 1.00 2.12 C ATOM 503 CE1 PHE A 33 -8.077 9.339 0.309 1.00 2.15 C ATOM 504 CE2 PHE A 33 -7.624 7.824 -1.537 1.00 1.94 C ATOM 505 CZ PHE A 33 -8.372 8.160 -0.399 1.00 1.27 C ATOM 0 H PHE A 33 -6.248 11.666 -4.248 1.00 0.87 H new ATOM 0 HA PHE A 33 -5.672 12.829 -1.655 1.00 1.03 H new ATOM 0 HB2 PHE A 33 -4.506 10.124 -2.390 1.00 1.21 H new ATOM 0 HB3 PHE A 33 -4.504 10.910 -0.824 1.00 1.21 H new ATOM 0 HD1 PHE A 33 -6.807 11.080 0.428 1.00 2.03 H new ATOM 0 HD2 PHE A 33 -6.017 8.404 -2.855 1.00 2.12 H new ATOM 0 HE1 PHE A 33 -8.652 9.600 1.185 1.00 2.15 H new ATOM 0 HE2 PHE A 33 -7.846 6.916 -2.078 1.00 1.94 H new ATOM 0 HZ PHE A 33 -9.172 7.515 -0.067 1.00 1.27 H new ATOM 515 N GLN A 34 -4.177 13.234 -4.235 1.00 0.94 N ATOM 516 CA GLN A 34 -3.013 13.680 -5.023 1.00 1.15 C ATOM 517 C GLN A 34 -2.055 14.560 -4.215 1.00 1.41 C ATOM 518 O GLN A 34 -1.033 14.057 -3.766 1.00 2.04 O ATOM 519 CB GLN A 34 -3.471 14.384 -6.316 1.00 1.19 C ATOM 520 CG GLN A 34 -3.586 13.402 -7.489 1.00 2.28 C ATOM 521 CD GLN A 34 -4.123 14.071 -8.751 1.00 2.21 C ATOM 522 OE1 GLN A 34 -5.157 13.685 -9.280 1.00 2.64 O ATOM 523 NE2 GLN A 34 -3.460 15.087 -9.263 1.00 2.61 N ATOM 0 H GLN A 34 -5.069 13.462 -4.674 1.00 0.94 H new ATOM 0 HA GLN A 34 -2.449 12.788 -5.296 1.00 1.15 H new ATOM 0 HB2 GLN A 34 -4.435 14.863 -6.147 1.00 1.19 H new ATOM 0 HB3 GLN A 34 -2.763 15.173 -6.571 1.00 1.19 H new ATOM 0 HG2 GLN A 34 -2.607 12.971 -7.697 1.00 2.28 H new ATOM 0 HG3 GLN A 34 -4.243 12.579 -7.208 1.00 2.28 H new ATOM 0 HE21 GLN A 34 -2.598 15.408 -8.822 1.00 2.61 H new ATOM 0 HE22 GLN A 34 -3.808 15.553 -10.101 1.00 2.61 H new ATOM 532 N ASP A 35 -2.384 15.838 -4.013 1.00 1.79 N ATOM 533 CA ASP A 35 -1.624 16.904 -3.327 1.00 2.21 C ATOM 534 C ASP A 35 -1.229 16.583 -1.872 1.00 2.03 C ATOM 535 O ASP A 35 -0.526 17.338 -1.199 1.00 2.32 O ATOM 536 CB ASP A 35 -2.498 18.174 -3.338 1.00 2.95 C ATOM 537 CG ASP A 35 -3.135 18.454 -4.707 1.00 4.60 C ATOM 538 OD1 ASP A 35 -4.098 17.721 -5.047 1.00 5.28 O ATOM 539 OD2 ASP A 35 -2.659 19.382 -5.395 1.00 6.03 O ATOM 0 H ASP A 35 -3.276 16.195 -4.357 1.00 1.79 H new ATOM 0 HA ASP A 35 -0.684 17.024 -3.866 1.00 2.21 H new ATOM 0 HB2 ASP A 35 -3.286 18.073 -2.591 1.00 2.95 H new ATOM 0 HB3 ASP A 35 -1.889 19.029 -3.045 1.00 2.95 H new ATOM 544 N LYS A 36 -1.725 15.455 -1.366 1.00 1.69 N ATOM 545 CA LYS A 36 -1.472 14.912 -0.040 1.00 1.72 C ATOM 546 C LYS A 36 -0.288 13.915 -0.078 1.00 1.74 C ATOM 547 O LYS A 36 0.589 13.987 -0.937 1.00 1.93 O ATOM 548 CB LYS A 36 -2.793 14.318 0.472 1.00 1.90 C ATOM 549 CG LYS A 36 -3.855 15.423 0.605 1.00 2.38 C ATOM 550 CD LYS A 36 -4.502 15.456 1.982 1.00 2.11 C ATOM 551 CE LYS A 36 -5.359 14.207 2.226 1.00 1.88 C ATOM 552 NZ LYS A 36 -5.986 14.237 3.564 1.00 2.43 N ATOM 0 H LYS A 36 -2.353 14.862 -1.908 1.00 1.69 H new ATOM 0 HA LYS A 36 -1.157 15.681 0.665 1.00 1.72 H new ATOM 0 HB2 LYS A 36 -3.144 13.547 -0.214 1.00 1.90 H new ATOM 0 HB3 LYS A 36 -2.634 13.838 1.437 1.00 1.90 H new ATOM 0 HG2 LYS A 36 -3.394 16.390 0.402 1.00 2.38 H new ATOM 0 HG3 LYS A 36 -4.626 15.272 -0.150 1.00 2.38 H new ATOM 0 HD2 LYS A 36 -3.729 15.524 2.748 1.00 2.11 H new ATOM 0 HD3 LYS A 36 -5.121 16.348 2.074 1.00 2.11 H new ATOM 0 HE2 LYS A 36 -6.133 14.140 1.461 1.00 1.88 H new ATOM 0 HE3 LYS A 36 -4.740 13.315 2.132 1.00 1.88 H new ATOM 0 HZ1 LYS A 36 -6.205 13.266 3.867 1.00 2.43 H new ATOM 0 HZ2 LYS A 36 -5.331 14.673 4.245 1.00 2.43 H new ATOM 0 HZ3 LYS A 36 -6.864 14.793 3.524 1.00 2.43 H new ATOM 566 N VAL A 37 -0.237 12.992 0.886 1.00 1.39 N ATOM 567 CA VAL A 37 0.737 11.905 1.013 1.00 1.29 C ATOM 568 C VAL A 37 -0.057 10.600 1.132 1.00 1.54 C ATOM 569 O VAL A 37 -1.017 10.526 1.897 1.00 2.04 O ATOM 570 CB VAL A 37 1.634 12.096 2.261 1.00 1.32 C ATOM 571 CG1 VAL A 37 2.718 11.012 2.345 1.00 1.23 C ATOM 572 CG2 VAL A 37 2.327 13.472 2.313 1.00 1.59 C ATOM 0 H VAL A 37 -0.917 12.983 1.646 1.00 1.39 H new ATOM 0 HA VAL A 37 1.395 11.890 0.144 1.00 1.29 H new ATOM 0 HB VAL A 37 0.953 12.021 3.109 1.00 1.32 H new ATOM 0 HG11 VAL A 37 3.329 11.177 3.232 1.00 1.23 H new ATOM 0 HG12 VAL A 37 2.247 10.031 2.405 1.00 1.23 H new ATOM 0 HG13 VAL A 37 3.348 11.058 1.457 1.00 1.23 H new ATOM 0 HG21 VAL A 37 2.939 13.537 3.213 1.00 1.59 H new ATOM 0 HG22 VAL A 37 2.960 13.594 1.434 1.00 1.59 H new ATOM 0 HG23 VAL A 37 1.573 14.259 2.329 1.00 1.59 H new ATOM 582 N VAL A 38 0.332 9.580 0.369 1.00 0.86 N ATOM 583 CA VAL A 38 -0.334 8.269 0.370 1.00 0.77 C ATOM 584 C VAL A 38 0.673 7.130 0.277 1.00 1.01 C ATOM 585 O VAL A 38 1.656 7.204 -0.466 1.00 0.97 O ATOM 586 CB VAL A 38 -1.418 8.167 -0.740 1.00 0.79 C ATOM 587 CG1 VAL A 38 -1.769 6.739 -1.205 1.00 1.09 C ATOM 588 CG2 VAL A 38 -2.719 8.811 -0.245 1.00 1.10 C ATOM 0 H VAL A 38 1.123 9.635 -0.273 1.00 0.86 H new ATOM 0 HA VAL A 38 -0.848 8.173 1.326 1.00 0.77 H new ATOM 0 HB VAL A 38 -0.977 8.679 -1.595 1.00 0.79 H new ATOM 0 HG11 VAL A 38 -2.534 6.786 -1.980 1.00 1.09 H new ATOM 0 HG12 VAL A 38 -0.877 6.257 -1.605 1.00 1.09 H new ATOM 0 HG13 VAL A 38 -2.144 6.163 -0.359 1.00 1.09 H new ATOM 0 HG21 VAL A 38 -3.479 8.740 -1.023 1.00 1.10 H new ATOM 0 HG22 VAL A 38 -3.065 8.292 0.649 1.00 1.10 H new ATOM 0 HG23 VAL A 38 -2.539 9.860 -0.009 1.00 1.10 H new ATOM 598 N LEU A 39 0.370 6.073 1.037 1.00 0.77 N ATOM 599 CA LEU A 39 0.952 4.744 0.932 1.00 0.81 C ATOM 600 C LEU A 39 -0.015 3.776 0.244 1.00 1.31 C ATOM 601 O LEU A 39 -1.222 3.773 0.495 1.00 1.62 O ATOM 602 CB LEU A 39 1.276 4.243 2.346 1.00 0.83 C ATOM 603 CG LEU A 39 2.692 4.572 2.835 1.00 0.96 C ATOM 604 CD1 LEU A 39 3.724 3.627 2.215 1.00 3.16 C ATOM 605 CD2 LEU A 39 3.109 6.042 2.680 1.00 2.57 C ATOM 0 H LEU A 39 -0.326 6.132 1.780 1.00 0.77 H new ATOM 0 HA LEU A 39 1.859 4.794 0.330 1.00 0.81 H new ATOM 0 HB2 LEU A 39 0.557 4.674 3.043 1.00 0.83 H new ATOM 0 HB3 LEU A 39 1.139 3.162 2.374 1.00 0.83 H new ATOM 0 HG LEU A 39 2.663 4.409 3.912 1.00 0.96 H new ATOM 0 HD11 LEU A 39 4.718 3.884 2.580 1.00 3.16 H new ATOM 0 HD12 LEU A 39 3.490 2.599 2.493 1.00 3.16 H new ATOM 0 HD13 LEU A 39 3.700 3.723 1.130 1.00 3.16 H new ATOM 0 HD21 LEU A 39 4.125 6.173 3.053 1.00 2.57 H new ATOM 0 HD22 LEU A 39 3.070 6.322 1.627 1.00 2.57 H new ATOM 0 HD23 LEU A 39 2.428 6.675 3.249 1.00 2.57 H new ATOM 617 N LEU A 40 0.573 2.907 -0.575 1.00 0.56 N ATOM 618 CA LEU A 40 -0.125 1.868 -1.338 1.00 0.56 C ATOM 619 C LEU A 40 0.620 0.534 -1.203 1.00 0.92 C ATOM 620 O LEU A 40 1.823 0.484 -1.462 1.00 1.08 O ATOM 621 CB LEU A 40 -0.230 2.332 -2.803 1.00 0.71 C ATOM 622 CG LEU A 40 -1.090 1.423 -3.701 1.00 1.12 C ATOM 623 CD1 LEU A 40 -2.576 1.495 -3.320 1.00 1.83 C ATOM 624 CD2 LEU A 40 -0.928 1.860 -5.162 1.00 2.36 C ATOM 0 H LEU A 40 1.581 2.904 -0.733 1.00 0.56 H new ATOM 0 HA LEU A 40 -1.132 1.710 -0.952 1.00 0.56 H new ATOM 0 HB2 LEU A 40 -0.646 3.339 -2.823 1.00 0.71 H new ATOM 0 HB3 LEU A 40 0.773 2.393 -3.224 1.00 0.71 H new ATOM 0 HG LEU A 40 -0.752 0.396 -3.566 1.00 1.12 H new ATOM 0 HD11 LEU A 40 -3.152 0.841 -3.975 1.00 1.83 H new ATOM 0 HD12 LEU A 40 -2.702 1.175 -2.286 1.00 1.83 H new ATOM 0 HD13 LEU A 40 -2.930 2.520 -3.429 1.00 1.83 H new ATOM 0 HD21 LEU A 40 -1.535 1.220 -5.803 1.00 2.36 H new ATOM 0 HD22 LEU A 40 -1.253 2.895 -5.270 1.00 2.36 H new ATOM 0 HD23 LEU A 40 0.119 1.776 -5.453 1.00 2.36 H new ATOM 636 N PHE A 41 -0.078 -0.532 -0.794 1.00 0.55 N ATOM 637 CA PHE A 41 0.530 -1.834 -0.476 1.00 0.52 C ATOM 638 C PHE A 41 -0.280 -3.004 -1.059 1.00 1.35 C ATOM 639 O PHE A 41 -1.488 -3.095 -0.822 1.00 1.64 O ATOM 640 CB PHE A 41 0.652 -1.941 1.056 1.00 0.62 C ATOM 641 CG PHE A 41 1.354 -3.173 1.606 1.00 0.83 C ATOM 642 CD1 PHE A 41 2.538 -3.662 1.014 1.00 2.12 C ATOM 643 CD2 PHE A 41 0.849 -3.804 2.761 1.00 1.85 C ATOM 644 CE1 PHE A 41 3.189 -4.784 1.556 1.00 2.21 C ATOM 645 CE2 PHE A 41 1.508 -4.919 3.311 1.00 1.73 C ATOM 646 CZ PHE A 41 2.676 -5.413 2.704 1.00 1.26 C ATOM 0 H PHE A 41 -1.091 -0.517 -0.673 1.00 0.55 H new ATOM 0 HA PHE A 41 1.517 -1.896 -0.934 1.00 0.52 H new ATOM 0 HB2 PHE A 41 1.182 -1.059 1.416 1.00 0.62 H new ATOM 0 HB3 PHE A 41 -0.352 -1.905 1.480 1.00 0.62 H new ATOM 0 HD1 PHE A 41 2.945 -3.173 0.142 1.00 2.12 H new ATOM 0 HD2 PHE A 41 -0.050 -3.429 3.227 1.00 1.85 H new ATOM 0 HE1 PHE A 41 4.086 -5.164 1.089 1.00 2.21 H new ATOM 0 HE2 PHE A 41 1.117 -5.395 4.198 1.00 1.73 H new ATOM 0 HZ PHE A 41 3.178 -6.274 3.119 1.00 1.26 H new ATOM 656 N PHE A 42 0.392 -3.904 -1.792 1.00 0.52 N ATOM 657 CA PHE A 42 -0.229 -4.983 -2.573 1.00 0.53 C ATOM 658 C PHE A 42 -0.185 -6.338 -1.845 1.00 1.79 C ATOM 659 O PHE A 42 0.884 -6.890 -1.572 1.00 2.21 O ATOM 660 CB PHE A 42 0.417 -5.037 -3.967 1.00 0.58 C ATOM 661 CG PHE A 42 0.041 -3.867 -4.867 1.00 0.66 C ATOM 662 CD1 PHE A 42 0.685 -2.624 -4.728 1.00 2.14 C ATOM 663 CD2 PHE A 42 -0.960 -4.024 -5.848 1.00 1.93 C ATOM 664 CE1 PHE A 42 0.361 -1.561 -5.592 1.00 1.97 C ATOM 665 CE2 PHE A 42 -1.287 -2.958 -6.708 1.00 1.97 C ATOM 666 CZ PHE A 42 -0.618 -1.729 -6.586 1.00 0.85 C ATOM 0 H PHE A 42 1.410 -3.901 -1.859 1.00 0.52 H new ATOM 0 HA PHE A 42 -1.290 -4.762 -2.692 1.00 0.53 H new ATOM 0 HB2 PHE A 42 1.501 -5.062 -3.854 1.00 0.58 H new ATOM 0 HB3 PHE A 42 0.126 -5.967 -4.456 1.00 0.58 H new ATOM 0 HD1 PHE A 42 1.429 -2.485 -3.957 1.00 2.14 H new ATOM 0 HD2 PHE A 42 -1.479 -4.967 -5.940 1.00 1.93 H new ATOM 0 HE1 PHE A 42 0.867 -0.612 -5.491 1.00 1.97 H new ATOM 0 HE2 PHE A 42 -2.051 -3.085 -7.460 1.00 1.97 H new ATOM 0 HZ PHE A 42 -0.856 -0.915 -7.255 1.00 0.85 H new ATOM 676 N GLY A 43 -1.384 -6.837 -1.519 1.00 0.57 N ATOM 677 CA GLY A 43 -1.657 -7.957 -0.615 1.00 0.73 C ATOM 678 C GLY A 43 -2.836 -8.865 -0.996 1.00 0.80 C ATOM 679 O GLY A 43 -3.499 -8.717 -2.024 1.00 0.88 O ATOM 0 H GLY A 43 -2.242 -6.443 -1.905 1.00 0.57 H new ATOM 0 HA2 GLY A 43 -0.759 -8.571 -0.550 1.00 0.73 H new ATOM 0 HA3 GLY A 43 -1.842 -7.556 0.381 1.00 0.73 H new ATOM 683 N PHE A 44 -3.112 -9.811 -0.102 1.00 0.98 N ATOM 684 CA PHE A 44 -4.207 -10.780 -0.173 1.00 0.91 C ATOM 685 C PHE A 44 -4.683 -11.067 1.261 1.00 1.68 C ATOM 686 O PHE A 44 -3.842 -11.143 2.165 1.00 2.45 O ATOM 687 CB PHE A 44 -3.669 -12.031 -0.892 1.00 1.01 C ATOM 688 CG PHE A 44 -4.566 -13.256 -0.895 1.00 1.46 C ATOM 689 CD1 PHE A 44 -5.919 -13.153 -1.263 1.00 3.04 C ATOM 690 CD2 PHE A 44 -4.033 -14.518 -0.578 1.00 2.27 C ATOM 691 CE1 PHE A 44 -6.745 -14.291 -1.276 1.00 3.98 C ATOM 692 CE2 PHE A 44 -4.852 -15.660 -0.603 1.00 3.17 C ATOM 693 CZ PHE A 44 -6.211 -15.548 -0.949 1.00 3.78 C ATOM 0 H PHE A 44 -2.547 -9.930 0.739 1.00 0.98 H new ATOM 0 HA PHE A 44 -5.066 -10.412 -0.734 1.00 0.91 H new ATOM 0 HB2 PHE A 44 -3.456 -11.763 -1.927 1.00 1.01 H new ATOM 0 HB3 PHE A 44 -2.720 -12.306 -0.432 1.00 1.01 H new ATOM 0 HD1 PHE A 44 -6.327 -12.192 -1.538 1.00 3.04 H new ATOM 0 HD2 PHE A 44 -2.990 -14.610 -0.314 1.00 2.27 H new ATOM 0 HE1 PHE A 44 -7.789 -14.198 -1.537 1.00 3.98 H new ATOM 0 HE2 PHE A 44 -4.437 -16.626 -0.356 1.00 3.17 H new ATOM 0 HZ PHE A 44 -6.841 -16.425 -0.963 1.00 3.78 H new ATOM 703 N THR A 45 -5.997 -11.204 1.520 1.00 0.99 N ATOM 704 CA THR A 45 -6.492 -11.389 2.901 1.00 1.16 C ATOM 705 C THR A 45 -5.906 -12.653 3.518 1.00 1.48 C ATOM 706 O THR A 45 -5.266 -12.576 4.566 1.00 2.00 O ATOM 707 CB THR A 45 -8.017 -11.349 3.034 1.00 1.31 C ATOM 708 OG1 THR A 45 -8.618 -12.385 2.298 1.00 2.06 O ATOM 709 CG2 THR A 45 -8.591 -9.983 2.647 1.00 1.37 C ATOM 0 H THR A 45 -6.726 -11.191 0.806 1.00 0.99 H new ATOM 0 HA THR A 45 -6.140 -10.525 3.464 1.00 1.16 H new ATOM 0 HB THR A 45 -8.253 -11.506 4.086 1.00 1.31 H new ATOM 0 HG1 THR A 45 -8.316 -12.343 1.367 1.00 2.06 H new ATOM 0 HG21 THR A 45 -9.675 -10.000 2.756 1.00 1.37 H new ATOM 0 HG22 THR A 45 -8.173 -9.215 3.298 1.00 1.37 H new ATOM 0 HG23 THR A 45 -8.334 -9.761 1.611 1.00 1.37 H new ATOM 717 N ARG A 46 -5.979 -13.787 2.808 1.00 1.62 N ATOM 718 CA ARG A 46 -5.299 -15.036 3.188 1.00 1.78 C ATOM 719 C ARG A 46 -3.848 -15.094 2.668 1.00 1.97 C ATOM 720 O ARG A 46 -3.379 -16.125 2.181 1.00 2.89 O ATOM 721 CB ARG A 46 -6.150 -16.282 2.849 1.00 2.22 C ATOM 722 CG ARG A 46 -6.026 -17.400 3.911 1.00 2.75 C ATOM 723 CD ARG A 46 -4.586 -17.863 4.195 1.00 3.59 C ATOM 724 NE ARG A 46 -4.512 -18.850 5.290 1.00 4.53 N ATOM 725 CZ ARG A 46 -3.642 -18.843 6.299 1.00 5.79 C ATOM 726 NH1 ARG A 46 -2.721 -17.913 6.443 1.00 6.54 N ATOM 727 NH2 ARG A 46 -3.687 -19.797 7.204 1.00 6.86 N ATOM 0 H ARG A 46 -6.517 -13.865 1.945 1.00 1.62 H new ATOM 0 HA ARG A 46 -5.204 -15.043 4.274 1.00 1.78 H new ATOM 0 HB2 ARG A 46 -7.196 -15.988 2.758 1.00 2.22 H new ATOM 0 HB3 ARG A 46 -5.843 -16.673 1.879 1.00 2.22 H new ATOM 0 HG2 ARG A 46 -6.470 -17.048 4.842 1.00 2.75 H new ATOM 0 HG3 ARG A 46 -6.611 -18.259 3.584 1.00 2.75 H new ATOM 0 HD2 ARG A 46 -4.163 -18.298 3.290 1.00 3.59 H new ATOM 0 HD3 ARG A 46 -3.974 -16.998 4.449 1.00 3.59 H new ATOM 0 HE ARG A 46 -5.192 -19.610 5.273 1.00 4.53 H new ATOM 0 HH11 ARG A 46 -2.652 -17.155 5.764 1.00 6.54 H new ATOM 0 HH12 ARG A 46 -2.077 -17.951 7.233 1.00 6.54 H new ATOM 0 HH21 ARG A 46 -4.385 -20.537 7.131 1.00 6.86 H new ATOM 0 HH22 ARG A 46 -3.023 -19.797 7.979 1.00 6.86 H new ATOM 741 N CYS A 47 -3.082 -14.027 2.880 1.00 1.45 N ATOM 742 CA CYS A 47 -1.626 -14.131 2.994 1.00 1.61 C ATOM 743 C CYS A 47 -1.205 -15.123 4.108 1.00 1.74 C ATOM 744 O CYS A 47 -2.047 -15.594 4.894 1.00 2.29 O ATOM 745 CB CYS A 47 -1.073 -12.716 3.244 1.00 2.01 C ATOM 746 SG CYS A 47 -0.436 -12.059 1.685 1.00 3.37 S ATOM 0 H CYS A 47 -3.444 -13.078 2.977 1.00 1.45 H new ATOM 0 HA CYS A 47 -1.208 -14.533 2.071 1.00 1.61 H new ATOM 0 HB2 CYS A 47 -1.857 -12.068 3.635 1.00 2.01 H new ATOM 0 HB3 CYS A 47 -0.281 -12.746 3.993 1.00 2.01 H new ATOM 0 HG CYS A 47 -1.405 -11.503 1.020 1.00 3.37 H new ATOM 752 N PRO A 48 0.104 -15.404 4.247 1.00 1.46 N ATOM 753 CA PRO A 48 0.677 -15.787 5.519 1.00 1.68 C ATOM 754 C PRO A 48 0.765 -14.501 6.359 1.00 1.86 C ATOM 755 O PRO A 48 -0.151 -13.681 6.393 1.00 2.93 O ATOM 756 CB PRO A 48 2.023 -16.422 5.138 1.00 2.15 C ATOM 757 CG PRO A 48 2.491 -15.508 4.009 1.00 2.07 C ATOM 758 CD PRO A 48 1.179 -15.224 3.277 1.00 1.71 C ATOM 0 HA PRO A 48 0.118 -16.502 6.123 1.00 1.68 H new ATOM 0 HB2 PRO A 48 2.722 -16.430 5.974 1.00 2.15 H new ATOM 0 HB3 PRO A 48 1.909 -17.454 4.808 1.00 2.15 H new ATOM 0 HG2 PRO A 48 2.955 -14.597 4.386 1.00 2.07 H new ATOM 0 HG3 PRO A 48 3.222 -15.995 3.364 1.00 2.07 H new ATOM 0 HD2 PRO A 48 1.172 -14.210 2.877 1.00 1.71 H new ATOM 0 HD3 PRO A 48 1.054 -15.901 2.432 1.00 1.71 H new ATOM 766 N ASP A 49 1.906 -14.284 6.991 1.00 1.18 N ATOM 767 CA ASP A 49 2.060 -13.335 8.108 1.00 1.24 C ATOM 768 C ASP A 49 2.485 -11.943 7.608 1.00 1.12 C ATOM 769 O ASP A 49 2.498 -10.944 8.323 1.00 1.24 O ATOM 770 CB ASP A 49 3.067 -13.950 9.089 1.00 1.66 C ATOM 771 CG ASP A 49 2.653 -15.387 9.436 1.00 3.07 C ATOM 772 OD1 ASP A 49 3.064 -16.299 8.677 1.00 4.08 O ATOM 773 OD2 ASP A 49 1.853 -15.548 10.382 1.00 4.27 O ATOM 0 H ASP A 49 2.772 -14.764 6.747 1.00 1.18 H new ATOM 0 HA ASP A 49 1.110 -13.174 8.617 1.00 1.24 H new ATOM 0 HB2 ASP A 49 4.064 -13.947 8.649 1.00 1.66 H new ATOM 0 HB3 ASP A 49 3.117 -13.348 9.996 1.00 1.66 H new ATOM 778 N VAL A 50 2.800 -11.919 6.321 1.00 1.18 N ATOM 779 CA VAL A 50 3.352 -10.823 5.525 1.00 1.09 C ATOM 780 C VAL A 50 2.353 -9.703 5.177 1.00 1.21 C ATOM 781 O VAL A 50 2.752 -8.641 4.721 1.00 1.64 O ATOM 782 CB VAL A 50 4.069 -11.425 4.297 1.00 1.21 C ATOM 783 CG1 VAL A 50 3.221 -11.448 3.013 1.00 1.53 C ATOM 784 CG2 VAL A 50 5.435 -10.773 4.093 1.00 1.60 C ATOM 0 H VAL A 50 2.662 -12.750 5.746 1.00 1.18 H new ATOM 0 HA VAL A 50 4.077 -10.291 6.141 1.00 1.09 H new ATOM 0 HB VAL A 50 4.228 -12.479 4.524 1.00 1.21 H new ATOM 0 HG11 VAL A 50 3.802 -11.886 2.201 1.00 1.53 H new ATOM 0 HG12 VAL A 50 2.324 -12.044 3.180 1.00 1.53 H new ATOM 0 HG13 VAL A 50 2.936 -10.430 2.747 1.00 1.53 H new ATOM 0 HG21 VAL A 50 5.922 -11.213 3.222 1.00 1.60 H new ATOM 0 HG22 VAL A 50 5.307 -9.702 3.935 1.00 1.60 H new ATOM 0 HG23 VAL A 50 6.052 -10.938 4.976 1.00 1.60 H new ATOM 794 N CYS A 51 1.042 -9.940 5.304 1.00 1.09 N ATOM 795 CA CYS A 51 0.086 -8.841 5.502 1.00 1.09 C ATOM 796 C CYS A 51 0.049 -8.301 6.948 1.00 1.23 C ATOM 797 O CYS A 51 0.260 -7.097 7.112 1.00 1.42 O ATOM 798 CB CYS A 51 -1.296 -9.202 4.935 1.00 1.38 C ATOM 799 SG CYS A 51 -1.197 -9.088 3.129 1.00 1.62 S ATOM 0 H CYS A 51 0.622 -10.869 5.274 1.00 1.09 H new ATOM 0 HA CYS A 51 0.452 -7.993 4.922 1.00 1.09 H new ATOM 0 HB2 CYS A 51 -1.583 -10.208 5.240 1.00 1.38 H new ATOM 0 HB3 CYS A 51 -2.057 -8.523 5.320 1.00 1.38 H new ATOM 0 HG CYS A 51 -0.758 -10.213 2.647 1.00 1.62 H new ATOM 805 N PRO A 52 -0.279 -9.118 7.972 1.00 0.96 N ATOM 806 CA PRO A 52 -0.573 -8.613 9.311 1.00 1.07 C ATOM 807 C PRO A 52 0.633 -7.983 10.012 1.00 1.20 C ATOM 808 O PRO A 52 0.453 -6.955 10.659 1.00 1.12 O ATOM 809 CB PRO A 52 -1.148 -9.798 10.097 1.00 1.27 C ATOM 810 CG PRO A 52 -0.686 -11.031 9.335 1.00 1.21 C ATOM 811 CD PRO A 52 -0.649 -10.525 7.898 1.00 1.08 C ATOM 0 HA PRO A 52 -1.287 -7.792 9.248 1.00 1.07 H new ATOM 0 HB2 PRO A 52 -0.781 -9.807 11.123 1.00 1.27 H new ATOM 0 HB3 PRO A 52 -2.236 -9.749 10.147 1.00 1.27 H new ATOM 0 HG2 PRO A 52 0.292 -11.375 9.671 1.00 1.21 H new ATOM 0 HG3 PRO A 52 -1.376 -11.866 9.455 1.00 1.21 H new ATOM 0 HD2 PRO A 52 0.073 -11.087 7.306 1.00 1.08 H new ATOM 0 HD3 PRO A 52 -1.619 -10.648 7.417 1.00 1.08 H new ATOM 819 N THR A 53 1.845 -8.542 9.864 1.00 0.82 N ATOM 820 CA THR A 53 3.060 -7.996 10.492 1.00 0.83 C ATOM 821 C THR A 53 3.380 -6.622 9.911 1.00 1.03 C ATOM 822 O THR A 53 3.407 -5.645 10.663 1.00 1.02 O ATOM 823 CB THR A 53 4.268 -8.937 10.366 1.00 0.90 C ATOM 824 OG1 THR A 53 3.859 -10.258 10.627 1.00 1.93 O ATOM 825 CG2 THR A 53 5.336 -8.601 11.405 1.00 1.54 C ATOM 0 H THR A 53 2.010 -9.381 9.308 1.00 0.82 H new ATOM 0 HA THR A 53 2.855 -7.897 11.558 1.00 0.83 H new ATOM 0 HB THR A 53 4.669 -8.824 9.359 1.00 0.90 H new ATOM 0 HG1 THR A 53 3.427 -10.630 9.830 1.00 1.93 H new ATOM 0 HG21 THR A 53 6.179 -9.282 11.293 1.00 1.54 H new ATOM 0 HG22 THR A 53 5.676 -7.576 11.259 1.00 1.54 H new ATOM 0 HG23 THR A 53 4.916 -8.705 12.405 1.00 1.54 H new ATOM 833 N THR A 54 3.460 -6.523 8.577 1.00 0.71 N ATOM 834 CA THR A 54 3.748 -5.274 7.861 1.00 0.66 C ATOM 835 C THR A 54 2.679 -4.217 8.091 1.00 0.82 C ATOM 836 O THR A 54 3.015 -3.041 8.186 1.00 0.80 O ATOM 837 CB THR A 54 3.943 -5.511 6.359 1.00 0.70 C ATOM 838 OG1 THR A 54 4.461 -6.790 6.093 1.00 1.38 O ATOM 839 CG2 THR A 54 4.904 -4.486 5.758 1.00 1.31 C ATOM 0 H THR A 54 3.324 -7.321 7.956 1.00 0.71 H new ATOM 0 HA THR A 54 4.684 -4.898 8.274 1.00 0.66 H new ATOM 0 HB THR A 54 2.955 -5.415 5.908 1.00 0.70 H new ATOM 0 HG1 THR A 54 5.138 -7.015 6.765 1.00 1.38 H new ATOM 0 HG21 THR A 54 5.022 -4.680 4.692 1.00 1.31 H new ATOM 0 HG22 THR A 54 4.503 -3.483 5.902 1.00 1.31 H new ATOM 0 HG23 THR A 54 5.873 -4.563 6.251 1.00 1.31 H new ATOM 847 N LEU A 55 1.403 -4.599 8.223 1.00 0.60 N ATOM 848 CA LEU A 55 0.337 -3.673 8.623 1.00 0.60 C ATOM 849 C LEU A 55 0.538 -3.140 10.048 1.00 1.12 C ATOM 850 O LEU A 55 0.299 -1.953 10.267 1.00 1.37 O ATOM 851 CB LEU A 55 -1.039 -4.351 8.470 1.00 0.64 C ATOM 852 CG LEU A 55 -1.531 -4.465 7.014 1.00 0.75 C ATOM 853 CD1 LEU A 55 -2.732 -5.418 6.939 1.00 1.44 C ATOM 854 CD2 LEU A 55 -1.948 -3.098 6.449 1.00 1.20 C ATOM 0 H LEU A 55 1.082 -5.553 8.057 1.00 0.60 H new ATOM 0 HA LEU A 55 0.379 -2.810 7.959 1.00 0.60 H new ATOM 0 HB2 LEU A 55 -0.989 -5.350 8.904 1.00 0.64 H new ATOM 0 HB3 LEU A 55 -1.774 -3.789 9.047 1.00 0.64 H new ATOM 0 HG LEU A 55 -0.703 -4.851 6.419 1.00 0.75 H new ATOM 0 HD11 LEU A 55 -3.073 -5.493 5.907 1.00 1.44 H new ATOM 0 HD12 LEU A 55 -2.436 -6.405 7.296 1.00 1.44 H new ATOM 0 HD13 LEU A 55 -3.540 -5.034 7.561 1.00 1.44 H new ATOM 0 HD21 LEU A 55 -2.289 -3.218 5.421 1.00 1.20 H new ATOM 0 HD22 LEU A 55 -2.756 -2.686 7.053 1.00 1.20 H new ATOM 0 HD23 LEU A 55 -1.095 -2.420 6.471 1.00 1.20 H new ATOM 866 N LEU A 56 1.013 -3.962 10.989 1.00 0.61 N ATOM 867 CA LEU A 56 1.380 -3.524 12.339 1.00 0.63 C ATOM 868 C LEU A 56 2.585 -2.566 12.293 1.00 1.03 C ATOM 869 O LEU A 56 2.545 -1.485 12.889 1.00 1.20 O ATOM 870 CB LEU A 56 1.628 -4.768 13.221 1.00 0.69 C ATOM 871 CG LEU A 56 1.211 -4.609 14.697 1.00 1.03 C ATOM 872 CD1 LEU A 56 1.440 -5.938 15.431 1.00 1.46 C ATOM 873 CD2 LEU A 56 1.960 -3.488 15.429 1.00 1.80 C ATOM 0 H LEU A 56 1.155 -4.960 10.833 1.00 0.61 H new ATOM 0 HA LEU A 56 0.564 -2.956 12.786 1.00 0.63 H new ATOM 0 HB2 LEU A 56 1.086 -5.612 12.794 1.00 0.69 H new ATOM 0 HB3 LEU A 56 2.688 -5.017 13.183 1.00 0.69 H new ATOM 0 HG LEU A 56 0.157 -4.333 14.699 1.00 1.03 H new ATOM 0 HD11 LEU A 56 1.147 -5.832 16.475 1.00 1.46 H new ATOM 0 HD12 LEU A 56 0.841 -6.720 14.964 1.00 1.46 H new ATOM 0 HD13 LEU A 56 2.495 -6.207 15.376 1.00 1.46 H new ATOM 0 HD21 LEU A 56 1.615 -3.434 16.462 1.00 1.80 H new ATOM 0 HD22 LEU A 56 3.030 -3.695 15.414 1.00 1.80 H new ATOM 0 HD23 LEU A 56 1.767 -2.537 14.932 1.00 1.80 H new ATOM 885 N ALA A 57 3.639 -2.918 11.551 1.00 0.62 N ATOM 886 CA ALA A 57 4.844 -2.103 11.419 1.00 0.69 C ATOM 887 C ALA A 57 4.583 -0.759 10.724 1.00 0.85 C ATOM 888 O ALA A 57 5.056 0.278 11.197 1.00 1.11 O ATOM 889 CB ALA A 57 5.895 -2.934 10.680 1.00 0.78 C ATOM 0 H ALA A 57 3.677 -3.788 11.020 1.00 0.62 H new ATOM 0 HA ALA A 57 5.206 -1.838 12.412 1.00 0.69 H new ATOM 0 HB1 ALA A 57 6.808 -2.349 10.567 1.00 0.78 H new ATOM 0 HB2 ALA A 57 6.111 -3.837 11.250 1.00 0.78 H new ATOM 0 HB3 ALA A 57 5.516 -3.208 9.696 1.00 0.78 H new ATOM 895 N LEU A 58 3.800 -0.732 9.642 1.00 0.72 N ATOM 896 CA LEU A 58 3.472 0.511 8.947 1.00 0.91 C ATOM 897 C LEU A 58 2.519 1.371 9.784 1.00 1.23 C ATOM 898 O LEU A 58 2.697 2.584 9.863 1.00 1.40 O ATOM 899 CB LEU A 58 3.034 0.189 7.503 1.00 1.26 C ATOM 900 CG LEU A 58 1.537 0.063 7.172 1.00 1.56 C ATOM 901 CD1 LEU A 58 0.913 1.442 6.922 1.00 2.96 C ATOM 902 CD2 LEU A 58 1.359 -0.766 5.889 1.00 2.69 C ATOM 0 H LEU A 58 3.380 -1.564 9.228 1.00 0.72 H new ATOM 0 HA LEU A 58 4.347 1.151 8.837 1.00 0.91 H new ATOM 0 HB2 LEU A 58 3.446 0.964 6.857 1.00 1.26 H new ATOM 0 HB3 LEU A 58 3.511 -0.749 7.219 1.00 1.26 H new ATOM 0 HG LEU A 58 1.048 -0.416 8.020 1.00 1.56 H new ATOM 0 HD11 LEU A 58 -0.146 1.326 6.690 1.00 2.96 H new ATOM 0 HD12 LEU A 58 1.023 2.058 7.814 1.00 2.96 H new ATOM 0 HD13 LEU A 58 1.417 1.923 6.084 1.00 2.96 H new ATOM 0 HD21 LEU A 58 0.298 -0.854 5.657 1.00 2.69 H new ATOM 0 HD22 LEU A 58 1.872 -0.273 5.063 1.00 2.69 H new ATOM 0 HD23 LEU A 58 1.781 -1.760 6.036 1.00 2.69 H new ATOM 914 N LYS A 59 1.550 0.774 10.487 1.00 0.83 N ATOM 915 CA LYS A 59 0.647 1.541 11.369 1.00 0.86 C ATOM 916 C LYS A 59 1.359 2.174 12.573 1.00 1.02 C ATOM 917 O LYS A 59 0.980 3.285 12.952 1.00 1.11 O ATOM 918 CB LYS A 59 -0.643 0.760 11.708 1.00 0.96 C ATOM 919 CG LYS A 59 -0.698 -0.200 12.908 1.00 0.95 C ATOM 920 CD LYS A 59 -0.743 0.516 14.258 1.00 1.27 C ATOM 921 CE LYS A 59 -1.436 -0.311 15.345 1.00 1.05 C ATOM 922 NZ LYS A 59 -1.541 0.468 16.602 1.00 1.58 N ATOM 0 H LYS A 59 1.367 -0.229 10.467 1.00 0.83 H new ATOM 0 HA LYS A 59 0.308 2.404 10.796 1.00 0.86 H new ATOM 0 HB2 LYS A 59 -1.433 1.497 11.853 1.00 0.96 H new ATOM 0 HB3 LYS A 59 -0.906 0.180 10.823 1.00 0.96 H new ATOM 0 HG2 LYS A 59 -1.577 -0.837 12.814 1.00 0.95 H new ATOM 0 HG3 LYS A 59 0.174 -0.854 12.881 1.00 0.95 H new ATOM 0 HD2 LYS A 59 0.274 0.747 14.576 1.00 1.27 H new ATOM 0 HD3 LYS A 59 -1.264 1.466 14.143 1.00 1.27 H new ATOM 0 HE2 LYS A 59 -2.430 -0.605 15.008 1.00 1.05 H new ATOM 0 HE3 LYS A 59 -0.876 -1.229 15.525 1.00 1.05 H new ATOM 0 HZ1 LYS A 59 -1.998 -0.113 17.333 1.00 1.58 H new ATOM 0 HZ2 LYS A 59 -0.590 0.742 16.921 1.00 1.58 H new ATOM 0 HZ3 LYS A 59 -2.109 1.323 16.434 1.00 1.58 H new ATOM 936 N ARG A 60 2.444 1.568 13.091 1.00 0.86 N ATOM 937 CA ARG A 60 3.312 2.242 14.075 1.00 0.99 C ATOM 938 C ARG A 60 3.787 3.615 13.569 1.00 1.47 C ATOM 939 O ARG A 60 3.849 4.554 14.359 1.00 1.58 O ATOM 940 CB ARG A 60 4.572 1.433 14.417 1.00 1.30 C ATOM 941 CG ARG A 60 4.452 0.190 15.316 1.00 1.46 C ATOM 942 CD ARG A 60 5.379 0.220 16.558 1.00 2.01 C ATOM 943 NE ARG A 60 6.740 0.764 16.312 1.00 3.67 N ATOM 944 CZ ARG A 60 7.781 0.174 15.732 1.00 5.00 C ATOM 945 NH1 ARG A 60 7.737 -1.073 15.314 1.00 5.39 N ATOM 946 NH2 ARG A 60 8.896 0.859 15.562 1.00 6.66 N ATOM 0 H ARG A 60 2.738 0.622 12.848 1.00 0.86 H new ATOM 0 HA ARG A 60 2.690 2.347 14.964 1.00 0.99 H new ATOM 0 HB2 ARG A 60 5.021 1.114 13.476 1.00 1.30 H new ATOM 0 HB3 ARG A 60 5.278 2.113 14.893 1.00 1.30 H new ATOM 0 HG2 ARG A 60 3.419 0.093 15.649 1.00 1.46 H new ATOM 0 HG3 ARG A 60 4.681 -0.697 14.725 1.00 1.46 H new ATOM 0 HD2 ARG A 60 4.901 0.816 17.335 1.00 2.01 H new ATOM 0 HD3 ARG A 60 5.474 -0.794 16.947 1.00 2.01 H new ATOM 0 HE ARG A 60 6.897 1.720 16.632 1.00 3.67 H new ATOM 0 HH11 ARG A 60 6.884 -1.620 15.431 1.00 5.39 H new ATOM 0 HH12 ARG A 60 8.556 -1.492 14.873 1.00 5.39 H new ATOM 0 HH21 ARG A 60 8.952 1.829 15.874 1.00 6.66 H new ATOM 0 HH22 ARG A 60 9.702 0.419 15.119 1.00 6.66 H new ATOM 960 N ALA A 61 4.136 3.730 12.279 1.00 1.02 N ATOM 961 CA ALA A 61 4.667 4.965 11.697 1.00 1.06 C ATOM 962 C ALA A 61 3.640 6.099 11.775 1.00 1.16 C ATOM 963 O ALA A 61 3.949 7.179 12.272 1.00 1.22 O ATOM 964 CB ALA A 61 5.122 4.699 10.250 1.00 1.10 C ATOM 0 H ALA A 61 4.056 2.964 11.610 1.00 1.02 H new ATOM 0 HA ALA A 61 5.533 5.289 12.274 1.00 1.06 H new ATOM 0 HB1 ALA A 61 5.517 5.618 9.818 1.00 1.10 H new ATOM 0 HB2 ALA A 61 5.899 3.934 10.248 1.00 1.10 H new ATOM 0 HB3 ALA A 61 4.273 4.356 9.659 1.00 1.10 H new ATOM 970 N TYR A 62 2.395 5.819 11.369 1.00 1.03 N ATOM 971 CA TYR A 62 1.262 6.745 11.465 1.00 1.07 C ATOM 972 C TYR A 62 0.964 7.177 12.919 1.00 1.25 C ATOM 973 O TYR A 62 0.640 8.336 13.162 1.00 1.41 O ATOM 974 CB TYR A 62 0.053 6.084 10.781 1.00 1.11 C ATOM 975 CG TYR A 62 -1.221 6.902 10.831 1.00 1.57 C ATOM 976 CD1 TYR A 62 -1.985 6.932 12.013 1.00 2.29 C ATOM 977 CD2 TYR A 62 -1.634 7.645 9.712 1.00 2.33 C ATOM 978 CE1 TYR A 62 -3.117 7.760 12.111 1.00 2.87 C ATOM 979 CE2 TYR A 62 -2.794 8.439 9.788 1.00 2.74 C ATOM 980 CZ TYR A 62 -3.529 8.518 10.992 1.00 2.73 C ATOM 981 OH TYR A 62 -4.603 9.352 11.070 1.00 3.39 O ATOM 0 H TYR A 62 2.143 4.921 10.955 1.00 1.03 H new ATOM 0 HA TYR A 62 1.507 7.675 10.953 1.00 1.07 H new ATOM 0 HB2 TYR A 62 0.304 5.888 9.738 1.00 1.11 H new ATOM 0 HB3 TYR A 62 -0.131 5.118 11.251 1.00 1.11 H new ATOM 0 HD1 TYR A 62 -1.699 6.314 12.851 1.00 2.29 H new ATOM 0 HD2 TYR A 62 -1.063 7.607 8.796 1.00 2.33 H new ATOM 0 HE1 TYR A 62 -3.669 7.816 13.037 1.00 2.87 H new ATOM 0 HE2 TYR A 62 -3.124 8.991 8.921 1.00 2.74 H new ATOM 0 HH TYR A 62 -4.496 9.952 11.837 1.00 3.39 H new ATOM 991 N GLU A 63 1.106 6.259 13.885 1.00 1.02 N ATOM 992 CA GLU A 63 0.956 6.535 15.319 1.00 1.16 C ATOM 993 C GLU A 63 2.084 7.412 15.897 1.00 1.41 C ATOM 994 O GLU A 63 1.972 7.860 17.038 1.00 1.63 O ATOM 995 CB GLU A 63 0.919 5.221 16.120 1.00 1.32 C ATOM 996 CG GLU A 63 -0.317 4.348 15.904 1.00 1.38 C ATOM 997 CD GLU A 63 -0.183 3.078 16.738 1.00 1.96 C ATOM 998 OE1 GLU A 63 0.629 2.194 16.382 1.00 2.65 O ATOM 999 OE2 GLU A 63 -0.922 2.904 17.724 1.00 2.73 O ATOM 0 H GLU A 63 1.333 5.285 13.687 1.00 1.02 H new ATOM 0 HA GLU A 63 0.018 7.082 15.413 1.00 1.16 H new ATOM 0 HB2 GLU A 63 1.803 4.637 15.865 1.00 1.32 H new ATOM 0 HB3 GLU A 63 0.991 5.461 17.181 1.00 1.32 H new ATOM 0 HG2 GLU A 63 -1.217 4.893 16.190 1.00 1.38 H new ATOM 0 HG3 GLU A 63 -0.419 4.096 14.849 1.00 1.38 H new ATOM 1006 N LYS A 64 3.221 7.561 15.203 1.00 1.17 N ATOM 1007 CA LYS A 64 4.419 8.259 15.703 1.00 1.16 C ATOM 1008 C LYS A 64 4.668 9.621 15.037 1.00 1.38 C ATOM 1009 O LYS A 64 5.168 10.528 15.704 1.00 1.51 O ATOM 1010 CB LYS A 64 5.635 7.319 15.543 1.00 1.07 C ATOM 1011 CG LYS A 64 6.005 6.481 16.786 1.00 1.48 C ATOM 1012 CD LYS A 64 4.846 5.729 17.471 1.00 2.93 C ATOM 1013 CE LYS A 64 4.312 6.495 18.695 1.00 4.26 C ATOM 1014 NZ LYS A 64 2.902 6.153 18.996 1.00 6.41 N ATOM 0 H LYS A 64 3.338 7.193 14.259 1.00 1.17 H new ATOM 0 HA LYS A 64 4.256 8.494 16.755 1.00 1.16 H new ATOM 0 HB2 LYS A 64 5.438 6.638 14.715 1.00 1.07 H new ATOM 0 HB3 LYS A 64 6.500 7.920 15.262 1.00 1.07 H new ATOM 0 HG2 LYS A 64 6.761 5.752 16.495 1.00 1.48 H new ATOM 0 HG3 LYS A 64 6.465 7.142 17.520 1.00 1.48 H new ATOM 0 HD2 LYS A 64 4.038 5.578 16.756 1.00 2.93 H new ATOM 0 HD3 LYS A 64 5.186 4.741 17.781 1.00 2.93 H new ATOM 0 HE2 LYS A 64 4.932 6.269 19.562 1.00 4.26 H new ATOM 0 HE3 LYS A 64 4.394 7.567 18.515 1.00 4.26 H new ATOM 0 HZ1 LYS A 64 2.701 6.359 19.995 1.00 6.41 H new ATOM 0 HZ2 LYS A 64 2.271 6.718 18.392 1.00 6.41 H new ATOM 0 HZ3 LYS A 64 2.743 5.142 18.812 1.00 6.41 H new ATOM 1028 N LEU A 65 4.296 9.806 13.764 1.00 1.58 N ATOM 1029 CA LEU A 65 4.220 11.142 13.156 1.00 1.60 C ATOM 1030 C LEU A 65 3.143 11.992 13.877 1.00 1.72 C ATOM 1031 O LEU A 65 2.175 11.433 14.396 1.00 1.89 O ATOM 1032 CB LEU A 65 4.085 11.027 11.618 1.00 1.98 C ATOM 1033 CG LEU A 65 2.919 10.183 11.057 1.00 1.27 C ATOM 1034 CD1 LEU A 65 1.590 10.940 10.969 1.00 1.88 C ATOM 1035 CD2 LEU A 65 3.277 9.681 9.647 1.00 2.41 C ATOM 0 H LEU A 65 4.042 9.046 13.133 1.00 1.58 H new ATOM 0 HA LEU A 65 5.148 11.695 13.302 1.00 1.60 H new ATOM 0 HB2 LEU A 65 3.993 12.035 11.214 1.00 1.98 H new ATOM 0 HB3 LEU A 65 5.015 10.612 11.231 1.00 1.98 H new ATOM 0 HG LEU A 65 2.781 9.361 11.760 1.00 1.27 H new ATOM 0 HD11 LEU A 65 0.822 10.280 10.566 1.00 1.88 H new ATOM 0 HD12 LEU A 65 1.296 11.275 11.964 1.00 1.88 H new ATOM 0 HD13 LEU A 65 1.706 11.804 10.315 1.00 1.88 H new ATOM 0 HD21 LEU A 65 2.453 9.086 9.253 1.00 2.41 H new ATOM 0 HD22 LEU A 65 3.455 10.534 8.992 1.00 2.41 H new ATOM 0 HD23 LEU A 65 4.177 9.068 9.697 1.00 2.41 H new ATOM 1047 N PRO A 66 3.306 13.327 13.973 1.00 1.55 N ATOM 1048 CA PRO A 66 2.424 14.166 14.776 1.00 1.55 C ATOM 1049 C PRO A 66 1.034 14.257 14.133 1.00 1.59 C ATOM 1050 O PRO A 66 0.912 14.003 12.929 1.00 1.47 O ATOM 1051 CB PRO A 66 3.119 15.532 14.856 1.00 1.64 C ATOM 1052 CG PRO A 66 3.909 15.598 13.552 1.00 1.65 C ATOM 1053 CD PRO A 66 4.326 14.146 13.333 1.00 1.63 C ATOM 0 HA PRO A 66 2.259 13.759 15.774 1.00 1.55 H new ATOM 0 HB2 PRO A 66 2.399 16.346 14.932 1.00 1.64 H new ATOM 0 HB3 PRO A 66 3.772 15.601 15.726 1.00 1.64 H new ATOM 0 HG2 PRO A 66 3.300 15.972 12.729 1.00 1.65 H new ATOM 0 HG3 PRO A 66 4.772 16.258 13.635 1.00 1.65 H new ATOM 0 HD2 PRO A 66 4.397 13.918 12.269 1.00 1.63 H new ATOM 0 HD3 PRO A 66 5.307 13.954 13.766 1.00 1.63 H new ATOM 1061 N PRO A 67 0.002 14.692 14.884 1.00 1.47 N ATOM 1062 CA PRO A 67 -1.343 14.895 14.354 1.00 1.57 C ATOM 1063 C PRO A 67 -1.346 15.791 13.109 1.00 1.74 C ATOM 1064 O PRO A 67 -2.123 15.543 12.194 1.00 1.81 O ATOM 1065 CB PRO A 67 -2.174 15.482 15.500 1.00 1.75 C ATOM 1066 CG PRO A 67 -1.137 16.025 16.481 1.00 1.79 C ATOM 1067 CD PRO A 67 0.037 15.069 16.292 1.00 1.61 C ATOM 0 HA PRO A 67 -1.772 13.953 14.014 1.00 1.57 H new ATOM 0 HB2 PRO A 67 -2.838 16.271 15.146 1.00 1.75 H new ATOM 0 HB3 PRO A 67 -2.802 14.722 15.965 1.00 1.75 H new ATOM 0 HG2 PRO A 67 -0.862 17.054 16.251 1.00 1.79 H new ATOM 0 HG3 PRO A 67 -1.506 16.015 17.507 1.00 1.79 H new ATOM 0 HD2 PRO A 67 0.981 15.550 16.547 1.00 1.61 H new ATOM 0 HD3 PRO A 67 -0.060 14.195 16.936 1.00 1.61 H new ATOM 1075 N LYS A 68 -0.421 16.758 13.009 1.00 1.47 N ATOM 1076 CA LYS A 68 -0.390 17.719 11.894 1.00 1.49 C ATOM 1077 C LYS A 68 0.183 17.109 10.599 1.00 1.68 C ATOM 1078 O LYS A 68 -0.035 17.624 9.502 1.00 1.74 O ATOM 1079 CB LYS A 68 0.381 18.983 12.343 1.00 1.62 C ATOM 1080 CG LYS A 68 -0.451 20.275 12.220 1.00 2.07 C ATOM 1081 CD LYS A 68 -0.520 20.837 10.788 1.00 2.80 C ATOM 1082 CE LYS A 68 -1.447 22.063 10.708 1.00 3.19 C ATOM 1083 NZ LYS A 68 -2.870 21.662 10.599 1.00 3.10 N ATOM 0 H LYS A 68 0.322 16.896 13.694 1.00 1.47 H new ATOM 0 HA LYS A 68 -1.414 17.998 11.644 1.00 1.49 H new ATOM 0 HB2 LYS A 68 0.698 18.859 13.379 1.00 1.62 H new ATOM 0 HB3 LYS A 68 1.285 19.082 11.743 1.00 1.62 H new ATOM 0 HG2 LYS A 68 -1.464 20.079 12.572 1.00 2.07 H new ATOM 0 HG3 LYS A 68 -0.026 21.033 12.878 1.00 2.07 H new ATOM 0 HD2 LYS A 68 0.481 21.114 10.456 1.00 2.80 H new ATOM 0 HD3 LYS A 68 -0.879 20.063 10.109 1.00 2.80 H new ATOM 0 HE2 LYS A 68 -1.309 22.683 11.594 1.00 3.19 H new ATOM 0 HE3 LYS A 68 -1.173 22.672 9.847 1.00 3.19 H new ATOM 0 HZ1 LYS A 68 -3.478 22.477 10.818 1.00 3.10 H new ATOM 0 HZ2 LYS A 68 -3.065 21.334 9.632 1.00 3.10 H new ATOM 0 HZ3 LYS A 68 -3.067 20.893 11.271 1.00 3.10 H new ATOM 1097 N ALA A 69 0.954 16.022 10.713 1.00 1.35 N ATOM 1098 CA ALA A 69 1.370 15.187 9.589 1.00 1.30 C ATOM 1099 C ALA A 69 0.257 14.252 9.089 1.00 1.43 C ATOM 1100 O ALA A 69 0.064 14.172 7.879 1.00 1.53 O ATOM 1101 CB ALA A 69 2.652 14.443 9.978 1.00 1.33 C ATOM 0 H ALA A 69 1.312 15.694 11.610 1.00 1.35 H new ATOM 0 HA ALA A 69 1.581 15.827 8.733 1.00 1.30 H new ATOM 0 HB1 ALA A 69 2.974 13.815 9.147 1.00 1.33 H new ATOM 0 HB2 ALA A 69 3.435 15.165 10.213 1.00 1.33 H new ATOM 0 HB3 ALA A 69 2.460 13.819 10.851 1.00 1.33 H new ATOM 1107 N GLN A 70 -0.495 13.570 9.966 1.00 1.30 N ATOM 1108 CA GLN A 70 -1.507 12.597 9.515 1.00 1.41 C ATOM 1109 C GLN A 70 -2.638 13.228 8.685 1.00 1.41 C ATOM 1110 O GLN A 70 -3.127 12.570 7.767 1.00 1.74 O ATOM 1111 CB GLN A 70 -2.024 11.678 10.634 1.00 1.66 C ATOM 1112 CG GLN A 70 -2.237 12.299 12.014 1.00 1.58 C ATOM 1113 CD GLN A 70 -2.613 11.235 13.043 1.00 1.96 C ATOM 1114 OE1 GLN A 70 -3.772 10.991 13.335 1.00 2.14 O ATOM 1115 NE2 GLN A 70 -1.665 10.517 13.606 1.00 3.11 N ATOM 0 H GLN A 70 -0.425 13.670 10.979 1.00 1.30 H new ATOM 0 HA GLN A 70 -0.972 11.941 8.829 1.00 1.41 H new ATOM 0 HB2 GLN A 70 -2.972 11.251 10.307 1.00 1.66 H new ATOM 0 HB3 GLN A 70 -1.322 10.851 10.742 1.00 1.66 H new ATOM 0 HG2 GLN A 70 -1.328 12.810 12.330 1.00 1.58 H new ATOM 0 HG3 GLN A 70 -3.024 13.052 11.960 1.00 1.58 H new ATOM 0 HE21 GLN A 70 -0.687 10.698 13.381 1.00 3.11 H new ATOM 0 HE22 GLN A 70 -1.908 9.779 14.267 1.00 3.11 H new ATOM 1124 N GLU A 71 -2.931 14.524 8.863 1.00 1.23 N ATOM 1125 CA GLU A 71 -3.750 15.344 7.944 1.00 1.33 C ATOM 1126 C GLU A 71 -3.408 15.101 6.468 1.00 1.49 C ATOM 1127 O GLU A 71 -4.284 15.060 5.600 1.00 1.74 O ATOM 1128 CB GLU A 71 -3.516 16.849 8.192 1.00 1.45 C ATOM 1129 CG GLU A 71 -3.518 17.227 9.671 1.00 1.57 C ATOM 1130 CD GLU A 71 -3.438 18.733 9.926 1.00 2.18 C ATOM 1131 OE1 GLU A 71 -3.166 19.519 8.989 1.00 2.81 O ATOM 1132 OE2 GLU A 71 -3.529 19.143 11.104 1.00 2.98 O ATOM 0 H GLU A 71 -2.598 15.050 9.671 1.00 1.23 H new ATOM 0 HA GLU A 71 -4.781 15.052 8.144 1.00 1.33 H new ATOM 0 HB2 GLU A 71 -2.562 17.138 7.752 1.00 1.45 H new ATOM 0 HB3 GLU A 71 -4.290 17.419 7.678 1.00 1.45 H new ATOM 0 HG2 GLU A 71 -4.425 16.838 10.134 1.00 1.57 H new ATOM 0 HG3 GLU A 71 -2.675 16.740 10.161 1.00 1.57 H new ATOM 1139 N ARG A 72 -2.113 14.925 6.193 1.00 1.20 N ATOM 1140 CA ARG A 72 -1.587 14.621 4.872 1.00 1.22 C ATOM 1141 C ARG A 72 -1.546 13.125 4.547 1.00 1.50 C ATOM 1142 O ARG A 72 -1.578 12.830 3.359 1.00 1.86 O ATOM 1143 CB ARG A 72 -0.181 15.190 4.684 1.00 1.30 C ATOM 1144 CG ARG A 72 -0.097 16.712 4.889 1.00 1.89 C ATOM 1145 CD ARG A 72 0.687 17.099 6.144 1.00 1.57 C ATOM 1146 NE ARG A 72 1.678 18.155 5.856 1.00 2.06 N ATOM 1147 CZ ARG A 72 2.746 18.030 5.068 1.00 2.70 C ATOM 1148 NH1 ARG A 72 3.155 16.872 4.599 1.00 3.54 N ATOM 1149 NH2 ARG A 72 3.428 19.077 4.668 1.00 3.47 N ATOM 0 H ARG A 72 -1.387 14.993 6.906 1.00 1.20 H new ATOM 0 HA ARG A 72 -2.288 15.095 4.185 1.00 1.22 H new ATOM 0 HB2 ARG A 72 0.496 14.700 5.384 1.00 1.30 H new ATOM 0 HB3 ARG A 72 0.168 14.948 3.680 1.00 1.30 H new ATOM 0 HG2 ARG A 72 0.374 17.166 4.017 1.00 1.89 H new ATOM 0 HG3 ARG A 72 -1.105 17.121 4.955 1.00 1.89 H new ATOM 0 HD2 ARG A 72 -0.003 17.446 6.913 1.00 1.57 H new ATOM 0 HD3 ARG A 72 1.194 16.221 6.543 1.00 1.57 H new ATOM 0 HE ARG A 72 1.532 19.062 6.300 1.00 2.06 H new ATOM 0 HH11 ARG A 72 2.649 16.019 4.835 1.00 3.54 H new ATOM 0 HH12 ARG A 72 3.979 16.827 3.999 1.00 3.54 H new ATOM 0 HH21 ARG A 72 3.144 20.012 4.960 1.00 3.47 H new ATOM 0 HH22 ARG A 72 4.242 18.956 4.065 1.00 3.47 H new ATOM 1163 N VAL A 73 -1.403 12.224 5.524 1.00 1.17 N ATOM 1164 CA VAL A 73 -0.961 10.823 5.322 1.00 1.21 C ATOM 1165 C VAL A 73 -2.139 9.863 5.487 1.00 1.26 C ATOM 1166 O VAL A 73 -2.620 9.661 6.601 1.00 1.47 O ATOM 1167 CB VAL A 73 0.188 10.408 6.285 1.00 1.49 C ATOM 1168 CG1 VAL A 73 0.674 8.974 6.008 1.00 1.72 C ATOM 1169 CG2 VAL A 73 1.403 11.348 6.181 1.00 2.66 C ATOM 0 H VAL A 73 -1.593 12.444 6.502 1.00 1.17 H new ATOM 0 HA VAL A 73 -0.572 10.764 4.305 1.00 1.21 H new ATOM 0 HB VAL A 73 -0.236 10.471 7.287 1.00 1.49 H new ATOM 0 HG11 VAL A 73 1.477 8.722 6.701 1.00 1.72 H new ATOM 0 HG12 VAL A 73 -0.153 8.277 6.142 1.00 1.72 H new ATOM 0 HG13 VAL A 73 1.044 8.906 4.985 1.00 1.72 H new ATOM 0 HG21 VAL A 73 2.179 11.018 6.872 1.00 2.66 H new ATOM 0 HG22 VAL A 73 1.792 11.329 5.163 1.00 2.66 H new ATOM 0 HG23 VAL A 73 1.100 12.364 6.435 1.00 2.66 H new ATOM 1179 N GLN A 74 -2.588 9.245 4.391 1.00 1.06 N ATOM 1180 CA GLN A 74 -3.571 8.160 4.415 1.00 0.93 C ATOM 1181 C GLN A 74 -2.939 6.866 3.878 1.00 1.09 C ATOM 1182 O GLN A 74 -2.006 6.901 3.079 1.00 1.31 O ATOM 1183 CB GLN A 74 -4.827 8.553 3.608 1.00 0.97 C ATOM 1184 CG GLN A 74 -5.960 9.171 4.451 1.00 1.49 C ATOM 1185 CD GLN A 74 -5.714 10.605 4.927 1.00 2.70 C ATOM 1186 OE1 GLN A 74 -6.040 11.574 4.255 1.00 3.29 O ATOM 1187 NE2 GLN A 74 -5.158 10.818 6.102 1.00 4.03 N ATOM 0 H GLN A 74 -2.275 9.488 3.451 1.00 1.06 H new ATOM 0 HA GLN A 74 -3.883 7.982 5.444 1.00 0.93 H new ATOM 0 HB2 GLN A 74 -4.538 9.264 2.834 1.00 0.97 H new ATOM 0 HB3 GLN A 74 -5.210 7.667 3.101 1.00 0.97 H new ATOM 0 HG2 GLN A 74 -6.878 9.153 3.864 1.00 1.49 H new ATOM 0 HG3 GLN A 74 -6.127 8.540 5.324 1.00 1.49 H new ATOM 0 HE21 GLN A 74 -4.876 10.029 6.683 1.00 4.03 H new ATOM 0 HE22 GLN A 74 -5.009 11.772 6.430 1.00 4.03 H new ATOM 1196 N VAL A 75 -3.451 5.719 4.322 1.00 0.87 N ATOM 1197 CA VAL A 75 -2.951 4.396 3.923 1.00 0.81 C ATOM 1198 C VAL A 75 -4.036 3.671 3.140 1.00 0.97 C ATOM 1199 O VAL A 75 -5.164 3.526 3.617 1.00 1.18 O ATOM 1200 CB VAL A 75 -2.549 3.567 5.157 1.00 0.90 C ATOM 1201 CG1 VAL A 75 -2.256 2.091 4.828 1.00 0.99 C ATOM 1202 CG2 VAL A 75 -1.322 4.200 5.841 1.00 1.15 C ATOM 0 H VAL A 75 -4.233 5.677 4.976 1.00 0.87 H new ATOM 0 HA VAL A 75 -2.066 4.524 3.299 1.00 0.81 H new ATOM 0 HB VAL A 75 -3.406 3.578 5.831 1.00 0.90 H new ATOM 0 HG11 VAL A 75 -1.979 1.563 5.740 1.00 0.99 H new ATOM 0 HG12 VAL A 75 -3.146 1.630 4.398 1.00 0.99 H new ATOM 0 HG13 VAL A 75 -1.436 2.034 4.112 1.00 0.99 H new ATOM 0 HG21 VAL A 75 -1.045 3.607 6.713 1.00 1.15 H new ATOM 0 HG22 VAL A 75 -0.488 4.226 5.140 1.00 1.15 H new ATOM 0 HG23 VAL A 75 -1.564 5.215 6.155 1.00 1.15 H new ATOM 1212 N ILE A 76 -3.659 3.178 1.962 1.00 0.77 N ATOM 1213 CA ILE A 76 -4.452 2.255 1.155 1.00 0.59 C ATOM 1214 C ILE A 76 -3.750 0.889 1.096 1.00 0.82 C ATOM 1215 O ILE A 76 -2.591 0.763 0.689 1.00 1.06 O ATOM 1216 CB ILE A 76 -4.680 2.849 -0.251 1.00 0.58 C ATOM 1217 CG1 ILE A 76 -5.300 4.271 -0.223 1.00 0.93 C ATOM 1218 CG2 ILE A 76 -5.548 1.906 -1.099 1.00 0.59 C ATOM 1219 CD1 ILE A 76 -6.690 4.405 0.402 1.00 1.52 C ATOM 0 H ILE A 76 -2.766 3.417 1.530 1.00 0.77 H new ATOM 0 HA ILE A 76 -5.431 2.108 1.611 1.00 0.59 H new ATOM 0 HB ILE A 76 -3.695 2.948 -0.706 1.00 0.58 H new ATOM 0 HG12 ILE A 76 -4.619 4.928 0.318 1.00 0.93 H new ATOM 0 HG13 ILE A 76 -5.351 4.640 -1.248 1.00 0.93 H new ATOM 0 HG21 ILE A 76 -5.699 2.340 -2.087 1.00 0.59 H new ATOM 0 HG22 ILE A 76 -5.048 0.943 -1.199 1.00 0.59 H new ATOM 0 HG23 ILE A 76 -6.514 1.765 -0.613 1.00 0.59 H new ATOM 0 HD11 ILE A 76 -7.009 5.446 0.360 1.00 1.52 H new ATOM 0 HD12 ILE A 76 -7.398 3.786 -0.149 1.00 1.52 H new ATOM 0 HD13 ILE A 76 -6.655 4.079 1.441 1.00 1.52 H new ATOM 1231 N PHE A 77 -4.492 -0.155 1.451 1.00 0.62 N ATOM 1232 CA PHE A 77 -4.159 -1.550 1.179 1.00 0.63 C ATOM 1233 C PHE A 77 -4.930 -1.974 -0.077 1.00 1.45 C ATOM 1234 O PHE A 77 -6.114 -1.664 -0.187 1.00 1.91 O ATOM 1235 CB PHE A 77 -4.572 -2.397 2.394 1.00 0.68 C ATOM 1236 CG PHE A 77 -4.357 -3.890 2.244 1.00 0.78 C ATOM 1237 CD1 PHE A 77 -5.363 -4.703 1.681 1.00 1.93 C ATOM 1238 CD2 PHE A 77 -3.159 -4.480 2.691 1.00 2.34 C ATOM 1239 CE1 PHE A 77 -5.171 -6.093 1.576 1.00 1.78 C ATOM 1240 CE2 PHE A 77 -2.975 -5.871 2.601 1.00 2.38 C ATOM 1241 CZ PHE A 77 -3.983 -6.679 2.046 1.00 1.03 C ATOM 0 H PHE A 77 -5.373 -0.050 1.954 1.00 0.62 H new ATOM 0 HA PHE A 77 -3.091 -1.687 1.011 1.00 0.63 H new ATOM 0 HB2 PHE A 77 -4.014 -2.051 3.264 1.00 0.68 H new ATOM 0 HB3 PHE A 77 -5.627 -2.217 2.600 1.00 0.68 H new ATOM 0 HD1 PHE A 77 -6.282 -4.258 1.330 1.00 1.93 H new ATOM 0 HD2 PHE A 77 -2.377 -3.861 3.105 1.00 2.34 H new ATOM 0 HE1 PHE A 77 -5.938 -6.711 1.133 1.00 1.78 H new ATOM 0 HE2 PHE A 77 -2.059 -6.319 2.958 1.00 2.38 H new ATOM 0 HZ PHE A 77 -3.845 -7.748 1.981 1.00 1.03 H new ATOM 1251 N VAL A 78 -4.286 -2.678 -1.008 1.00 0.53 N ATOM 1252 CA VAL A 78 -4.924 -3.170 -2.241 1.00 0.55 C ATOM 1253 C VAL A 78 -4.833 -4.691 -2.334 1.00 0.84 C ATOM 1254 O VAL A 78 -3.760 -5.269 -2.162 1.00 1.06 O ATOM 1255 CB VAL A 78 -4.382 -2.503 -3.531 1.00 0.59 C ATOM 1256 CG1 VAL A 78 -5.115 -1.184 -3.776 1.00 2.34 C ATOM 1257 CG2 VAL A 78 -2.877 -2.204 -3.540 1.00 1.98 C ATOM 0 H VAL A 78 -3.300 -2.928 -0.932 1.00 0.53 H new ATOM 0 HA VAL A 78 -5.973 -2.881 -2.171 1.00 0.55 H new ATOM 0 HB VAL A 78 -4.560 -3.240 -4.314 1.00 0.59 H new ATOM 0 HG11 VAL A 78 -4.732 -0.718 -4.684 1.00 2.34 H new ATOM 0 HG12 VAL A 78 -6.182 -1.376 -3.890 1.00 2.34 H new ATOM 0 HG13 VAL A 78 -4.955 -0.516 -2.930 1.00 2.34 H new ATOM 0 HG21 VAL A 78 -2.604 -1.739 -4.487 1.00 1.98 H new ATOM 0 HG22 VAL A 78 -2.636 -1.527 -2.720 1.00 1.98 H new ATOM 0 HG23 VAL A 78 -2.321 -3.133 -3.419 1.00 1.98 H new ATOM 1267 N SER A 79 -5.973 -5.331 -2.592 1.00 0.54 N ATOM 1268 CA SER A 79 -6.075 -6.781 -2.760 1.00 0.60 C ATOM 1269 C SER A 79 -5.773 -7.244 -4.197 1.00 0.74 C ATOM 1270 O SER A 79 -5.990 -6.498 -5.151 1.00 1.06 O ATOM 1271 CB SER A 79 -7.454 -7.255 -2.315 1.00 1.03 C ATOM 1272 OG SER A 79 -7.459 -7.462 -0.916 1.00 2.72 O ATOM 0 H SER A 79 -6.866 -4.849 -2.692 1.00 0.54 H new ATOM 0 HA SER A 79 -5.310 -7.235 -2.130 1.00 0.60 H new ATOM 0 HB2 SER A 79 -8.208 -6.516 -2.586 1.00 1.03 H new ATOM 0 HB3 SER A 79 -7.715 -8.180 -2.830 1.00 1.03 H new ATOM 0 HG SER A 79 -7.694 -8.394 -0.724 1.00 2.72 H new ATOM 1278 N VAL A 80 -5.256 -8.473 -4.335 1.00 0.69 N ATOM 1279 CA VAL A 80 -4.661 -8.970 -5.594 1.00 0.74 C ATOM 1280 C VAL A 80 -5.308 -10.276 -6.099 1.00 1.27 C ATOM 1281 O VAL A 80 -5.089 -10.649 -7.251 1.00 1.42 O ATOM 1282 CB VAL A 80 -3.119 -9.085 -5.436 1.00 0.75 C ATOM 1283 CG1 VAL A 80 -2.400 -9.551 -6.715 1.00 2.00 C ATOM 1284 CG2 VAL A 80 -2.478 -7.728 -5.066 1.00 2.06 C ATOM 0 H VAL A 80 -5.236 -9.156 -3.578 1.00 0.69 H new ATOM 0 HA VAL A 80 -4.873 -8.240 -6.375 1.00 0.74 H new ATOM 0 HB VAL A 80 -2.993 -9.825 -4.646 1.00 0.75 H new ATOM 0 HG11 VAL A 80 -1.327 -9.608 -6.529 1.00 2.00 H new ATOM 0 HG12 VAL A 80 -2.771 -10.535 -7.003 1.00 2.00 H new ATOM 0 HG13 VAL A 80 -2.592 -8.841 -7.519 1.00 2.00 H new ATOM 0 HG21 VAL A 80 -1.400 -7.851 -4.965 1.00 2.06 H new ATOM 0 HG22 VAL A 80 -2.688 -7.000 -5.850 1.00 2.06 H new ATOM 0 HG23 VAL A 80 -2.893 -7.375 -4.122 1.00 2.06 H new ATOM 1294 N ASP A 81 -6.170 -10.941 -5.310 1.00 0.86 N ATOM 1295 CA ASP A 81 -6.939 -12.120 -5.746 1.00 0.95 C ATOM 1296 C ASP A 81 -8.441 -11.770 -5.825 1.00 1.02 C ATOM 1297 O ASP A 81 -9.182 -12.045 -4.882 1.00 1.29 O ATOM 1298 CB ASP A 81 -6.655 -13.297 -4.793 1.00 1.16 C ATOM 1299 CG ASP A 81 -7.317 -14.600 -5.266 1.00 1.87 C ATOM 1300 OD1 ASP A 81 -6.810 -15.184 -6.255 1.00 2.50 O ATOM 1301 OD2 ASP A 81 -8.324 -15.017 -4.659 1.00 2.84 O ATOM 0 H ASP A 81 -6.354 -10.673 -4.343 1.00 0.86 H new ATOM 0 HA ASP A 81 -6.630 -12.425 -6.746 1.00 0.95 H new ATOM 0 HB2 ASP A 81 -5.578 -13.447 -4.714 1.00 1.16 H new ATOM 0 HB3 ASP A 81 -7.016 -13.049 -3.795 1.00 1.16 H new ATOM 1306 N PRO A 82 -8.916 -11.119 -6.907 1.00 0.85 N ATOM 1307 CA PRO A 82 -10.275 -10.580 -6.965 1.00 0.97 C ATOM 1308 C PRO A 82 -11.354 -11.672 -6.970 1.00 1.20 C ATOM 1309 O PRO A 82 -12.472 -11.401 -6.533 1.00 1.54 O ATOM 1310 CB PRO A 82 -10.320 -9.699 -8.216 1.00 1.26 C ATOM 1311 CG PRO A 82 -9.234 -10.288 -9.116 1.00 1.25 C ATOM 1312 CD PRO A 82 -8.183 -10.762 -8.114 1.00 1.03 C ATOM 0 HA PRO A 82 -10.501 -10.002 -6.069 1.00 0.97 H new ATOM 0 HB2 PRO A 82 -11.299 -9.734 -8.695 1.00 1.26 H new ATOM 0 HB3 PRO A 82 -10.119 -8.655 -7.977 1.00 1.26 H new ATOM 0 HG2 PRO A 82 -9.614 -11.110 -9.723 1.00 1.25 H new ATOM 0 HG3 PRO A 82 -8.831 -9.544 -9.803 1.00 1.25 H new ATOM 0 HD2 PRO A 82 -7.630 -11.617 -8.503 1.00 1.03 H new ATOM 0 HD3 PRO A 82 -7.455 -9.977 -7.911 1.00 1.03 H new ATOM 1320 N GLU A 83 -11.040 -12.909 -7.386 1.00 0.91 N ATOM 1321 CA GLU A 83 -11.964 -14.051 -7.282 1.00 1.07 C ATOM 1322 C GLU A 83 -12.294 -14.471 -5.833 1.00 1.32 C ATOM 1323 O GLU A 83 -13.237 -15.247 -5.638 1.00 1.79 O ATOM 1324 CB GLU A 83 -11.427 -15.273 -8.053 1.00 1.22 C ATOM 1325 CG GLU A 83 -11.185 -15.031 -9.553 1.00 1.64 C ATOM 1326 CD GLU A 83 -9.704 -14.810 -9.843 1.00 2.15 C ATOM 1327 OE1 GLU A 83 -9.162 -13.768 -9.408 1.00 3.22 O ATOM 1328 OE2 GLU A 83 -9.057 -15.719 -10.412 1.00 2.46 O ATOM 0 H GLU A 83 -10.140 -13.146 -7.803 1.00 0.91 H new ATOM 0 HA GLU A 83 -12.893 -13.698 -7.730 1.00 1.07 H new ATOM 0 HB2 GLU A 83 -10.491 -15.592 -7.595 1.00 1.22 H new ATOM 0 HB3 GLU A 83 -12.133 -16.095 -7.941 1.00 1.22 H new ATOM 0 HG2 GLU A 83 -11.547 -15.885 -10.125 1.00 1.64 H new ATOM 0 HG3 GLU A 83 -11.756 -14.163 -9.881 1.00 1.64 H new ATOM 1335 N ARG A 84 -11.555 -13.982 -4.819 1.00 0.99 N ATOM 1336 CA ARG A 84 -11.773 -14.355 -3.412 1.00 1.18 C ATOM 1337 C ARG A 84 -11.613 -13.217 -2.393 1.00 1.41 C ATOM 1338 O ARG A 84 -12.170 -13.345 -1.302 1.00 1.71 O ATOM 1339 CB ARG A 84 -10.892 -15.575 -3.069 1.00 1.51 C ATOM 1340 CG ARG A 84 -11.555 -16.549 -2.082 1.00 2.36 C ATOM 1341 CD ARG A 84 -11.256 -16.271 -0.602 1.00 3.61 C ATOM 1342 NE ARG A 84 -12.316 -16.831 0.260 1.00 4.74 N ATOM 1343 CZ ARG A 84 -13.487 -16.267 0.553 1.00 6.01 C ATOM 1344 NH1 ARG A 84 -13.813 -15.056 0.158 1.00 6.82 N ATOM 1345 NH2 ARG A 84 -14.375 -16.930 1.266 1.00 7.13 N ATOM 0 H ARG A 84 -10.792 -13.319 -4.954 1.00 0.99 H new ATOM 0 HA ARG A 84 -12.827 -14.616 -3.322 1.00 1.18 H new ATOM 0 HB2 ARG A 84 -10.650 -16.109 -3.988 1.00 1.51 H new ATOM 0 HB3 ARG A 84 -9.950 -15.226 -2.646 1.00 1.51 H new ATOM 0 HG2 ARG A 84 -12.634 -16.517 -2.232 1.00 2.36 H new ATOM 0 HG3 ARG A 84 -11.230 -17.562 -2.320 1.00 2.36 H new ATOM 0 HD2 ARG A 84 -10.294 -16.706 -0.333 1.00 3.61 H new ATOM 0 HD3 ARG A 84 -11.177 -15.196 -0.438 1.00 3.61 H new ATOM 0 HE ARG A 84 -12.133 -17.745 0.674 1.00 4.74 H new ATOM 0 HH11 ARG A 84 -13.157 -14.507 -0.397 1.00 6.82 H new ATOM 0 HH12 ARG A 84 -14.722 -14.666 0.407 1.00 6.82 H new ATOM 0 HH21 ARG A 84 -14.165 -17.873 1.593 1.00 7.13 H new ATOM 0 HH22 ARG A 84 -15.272 -16.500 1.491 1.00 7.13 H new ATOM 1359 N ASP A 85 -10.956 -12.104 -2.706 1.00 0.88 N ATOM 1360 CA ASP A 85 -10.874 -10.893 -1.874 1.00 0.92 C ATOM 1361 C ASP A 85 -11.927 -9.869 -2.345 1.00 1.21 C ATOM 1362 O ASP A 85 -11.627 -9.076 -3.238 1.00 1.54 O ATOM 1363 CB ASP A 85 -9.444 -10.286 -1.953 1.00 1.09 C ATOM 1364 CG ASP A 85 -8.470 -10.741 -0.867 1.00 1.14 C ATOM 1365 OD1 ASP A 85 -8.722 -11.745 -0.170 1.00 2.07 O ATOM 1366 OD2 ASP A 85 -7.442 -10.047 -0.682 1.00 1.92 O ATOM 0 H ASP A 85 -10.442 -12.011 -3.582 1.00 0.88 H new ATOM 0 HA ASP A 85 -11.078 -11.154 -0.835 1.00 0.92 H new ATOM 0 HB2 ASP A 85 -9.017 -10.534 -2.925 1.00 1.09 H new ATOM 0 HB3 ASP A 85 -9.527 -9.200 -1.909 1.00 1.09 H new ATOM 1371 N PRO A 86 -13.152 -9.837 -1.780 1.00 0.85 N ATOM 1372 CA PRO A 86 -14.100 -8.756 -2.015 1.00 0.95 C ATOM 1373 C PRO A 86 -13.787 -7.575 -1.067 1.00 1.03 C ATOM 1374 O PRO A 86 -13.164 -7.773 -0.014 1.00 0.79 O ATOM 1375 CB PRO A 86 -15.468 -9.390 -1.769 1.00 1.05 C ATOM 1376 CG PRO A 86 -15.173 -10.317 -0.594 1.00 1.02 C ATOM 1377 CD PRO A 86 -13.785 -10.855 -0.954 1.00 0.88 C ATOM 0 HA PRO A 86 -14.055 -8.334 -3.019 1.00 0.95 H new ATOM 0 HB2 PRO A 86 -16.226 -8.646 -1.523 1.00 1.05 H new ATOM 0 HB3 PRO A 86 -15.829 -9.936 -2.641 1.00 1.05 H new ATOM 0 HG2 PRO A 86 -15.170 -9.783 0.356 1.00 1.02 H new ATOM 0 HG3 PRO A 86 -15.910 -11.115 -0.509 1.00 1.02 H new ATOM 0 HD2 PRO A 86 -13.198 -11.047 -0.056 1.00 0.88 H new ATOM 0 HD3 PRO A 86 -13.862 -11.800 -1.492 1.00 0.88 H new ATOM 1385 N PRO A 87 -14.193 -6.340 -1.419 1.00 0.74 N ATOM 1386 CA PRO A 87 -13.695 -5.124 -0.778 1.00 0.79 C ATOM 1387 C PRO A 87 -14.047 -5.002 0.707 1.00 1.05 C ATOM 1388 O PRO A 87 -13.276 -4.401 1.445 1.00 0.92 O ATOM 1389 CB PRO A 87 -14.271 -3.960 -1.586 1.00 0.89 C ATOM 1390 CG PRO A 87 -15.475 -4.554 -2.311 1.00 0.97 C ATOM 1391 CD PRO A 87 -15.054 -6.000 -2.542 1.00 0.87 C ATOM 0 HA PRO A 87 -12.605 -5.134 -0.782 1.00 0.79 H new ATOM 0 HB2 PRO A 87 -14.566 -3.135 -0.938 1.00 0.89 H new ATOM 0 HB3 PRO A 87 -13.539 -3.566 -2.291 1.00 0.89 H new ATOM 0 HG2 PRO A 87 -16.382 -4.488 -1.709 1.00 0.97 H new ATOM 0 HG3 PRO A 87 -15.677 -4.037 -3.249 1.00 0.97 H new ATOM 0 HD2 PRO A 87 -15.921 -6.659 -2.585 1.00 0.87 H new ATOM 0 HD3 PRO A 87 -14.525 -6.108 -3.489 1.00 0.87 H new ATOM 1399 N GLU A 88 -15.154 -5.584 1.180 1.00 0.69 N ATOM 1400 CA GLU A 88 -15.551 -5.548 2.595 1.00 0.75 C ATOM 1401 C GLU A 88 -14.633 -6.424 3.465 1.00 1.05 C ATOM 1402 O GLU A 88 -14.337 -6.088 4.612 1.00 1.24 O ATOM 1403 CB GLU A 88 -17.010 -6.017 2.789 1.00 1.00 C ATOM 1404 CG GLU A 88 -18.029 -5.627 1.702 1.00 1.21 C ATOM 1405 CD GLU A 88 -18.086 -6.604 0.519 1.00 2.89 C ATOM 1406 OE1 GLU A 88 -17.082 -7.316 0.294 1.00 4.01 O ATOM 1407 OE2 GLU A 88 -19.123 -6.604 -0.169 1.00 3.95 O ATOM 0 H GLU A 88 -15.806 -6.098 0.588 1.00 0.69 H new ATOM 0 HA GLU A 88 -15.461 -4.508 2.909 1.00 0.75 H new ATOM 0 HB2 GLU A 88 -17.006 -7.104 2.873 1.00 1.00 H new ATOM 0 HB3 GLU A 88 -17.366 -5.625 3.741 1.00 1.00 H new ATOM 0 HG2 GLU A 88 -19.019 -5.561 2.153 1.00 1.21 H new ATOM 0 HG3 GLU A 88 -17.783 -4.633 1.328 1.00 1.21 H new ATOM 1414 N VAL A 89 -14.203 -7.569 2.928 1.00 0.70 N ATOM 1415 CA VAL A 89 -13.260 -8.479 3.605 1.00 0.65 C ATOM 1416 C VAL A 89 -11.828 -7.921 3.569 1.00 0.87 C ATOM 1417 O VAL A 89 -11.090 -8.076 4.542 1.00 0.70 O ATOM 1418 CB VAL A 89 -13.336 -9.917 3.043 1.00 0.76 C ATOM 1419 CG1 VAL A 89 -12.455 -10.891 3.849 1.00 0.99 C ATOM 1420 CG2 VAL A 89 -14.774 -10.465 3.128 1.00 1.11 C ATOM 0 H VAL A 89 -14.497 -7.897 2.008 1.00 0.70 H new ATOM 0 HA VAL A 89 -13.560 -8.540 4.651 1.00 0.65 H new ATOM 0 HB VAL A 89 -12.994 -9.854 2.010 1.00 0.76 H new ATOM 0 HG11 VAL A 89 -12.535 -11.891 3.423 1.00 0.99 H new ATOM 0 HG12 VAL A 89 -11.417 -10.561 3.808 1.00 0.99 H new ATOM 0 HG13 VAL A 89 -12.789 -10.910 4.886 1.00 0.99 H new ATOM 0 HG21 VAL A 89 -14.802 -11.478 2.727 1.00 1.11 H new ATOM 0 HG22 VAL A 89 -15.097 -10.478 4.169 1.00 1.11 H new ATOM 0 HG23 VAL A 89 -15.441 -9.827 2.549 1.00 1.11 H new ATOM 1430 N ALA A 90 -11.443 -7.235 2.484 1.00 0.65 N ATOM 1431 CA ALA A 90 -10.173 -6.510 2.402 1.00 0.63 C ATOM 1432 C ALA A 90 -10.120 -5.329 3.389 1.00 0.82 C ATOM 1433 O ALA A 90 -9.171 -5.200 4.161 1.00 0.91 O ATOM 1434 CB ALA A 90 -9.975 -6.055 0.949 1.00 0.70 C ATOM 0 H ALA A 90 -12.007 -7.169 1.637 1.00 0.65 H new ATOM 0 HA ALA A 90 -9.355 -7.170 2.692 1.00 0.63 H new ATOM 0 HB1 ALA A 90 -9.034 -5.512 0.863 1.00 0.70 H new ATOM 0 HB2 ALA A 90 -9.952 -6.927 0.295 1.00 0.70 H new ATOM 0 HB3 ALA A 90 -10.798 -5.403 0.656 1.00 0.70 H new ATOM 1440 N ASP A 91 -11.148 -4.478 3.408 1.00 0.54 N ATOM 1441 CA ASP A 91 -11.192 -3.263 4.232 1.00 0.56 C ATOM 1442 C ASP A 91 -11.241 -3.554 5.734 1.00 0.95 C ATOM 1443 O ASP A 91 -10.492 -2.947 6.504 1.00 1.01 O ATOM 1444 CB ASP A 91 -12.392 -2.414 3.800 1.00 0.61 C ATOM 1445 CG ASP A 91 -12.431 -1.077 4.535 1.00 0.76 C ATOM 1446 OD1 ASP A 91 -11.420 -0.338 4.489 1.00 1.95 O ATOM 1447 OD2 ASP A 91 -13.454 -0.762 5.189 1.00 1.65 O ATOM 0 H ASP A 91 -11.987 -4.613 2.844 1.00 0.54 H new ATOM 0 HA ASP A 91 -10.264 -2.715 4.069 1.00 0.56 H new ATOM 0 HB2 ASP A 91 -12.345 -2.237 2.725 1.00 0.61 H new ATOM 0 HB3 ASP A 91 -13.314 -2.962 3.993 1.00 0.61 H new ATOM 1452 N ARG A 92 -12.061 -4.527 6.151 1.00 0.69 N ATOM 1453 CA ARG A 92 -12.111 -4.936 7.559 1.00 0.77 C ATOM 1454 C ARG A 92 -10.768 -5.512 8.041 1.00 1.15 C ATOM 1455 O ARG A 92 -10.423 -5.356 9.208 1.00 1.42 O ATOM 1456 CB ARG A 92 -13.303 -5.883 7.796 1.00 1.10 C ATOM 1457 CG ARG A 92 -13.027 -7.354 7.459 1.00 1.55 C ATOM 1458 CD ARG A 92 -14.310 -8.191 7.516 1.00 1.78 C ATOM 1459 NE ARG A 92 -13.977 -9.629 7.593 1.00 3.72 N ATOM 1460 CZ ARG A 92 -14.512 -10.541 8.401 1.00 4.84 C ATOM 1461 NH1 ARG A 92 -15.537 -10.274 9.186 1.00 4.42 N ATOM 1462 NH2 ARG A 92 -14.015 -11.759 8.428 1.00 6.71 N ATOM 0 H ARG A 92 -12.694 -5.042 5.539 1.00 0.69 H new ATOM 0 HA ARG A 92 -12.277 -4.051 8.173 1.00 0.77 H new ATOM 0 HB2 ARG A 92 -13.603 -5.814 8.842 1.00 1.10 H new ATOM 0 HB3 ARG A 92 -14.147 -5.539 7.199 1.00 1.10 H new ATOM 0 HG2 ARG A 92 -12.589 -7.425 6.464 1.00 1.55 H new ATOM 0 HG3 ARG A 92 -12.296 -7.758 8.159 1.00 1.55 H new ATOM 0 HD2 ARG A 92 -14.904 -7.901 8.382 1.00 1.78 H new ATOM 0 HD3 ARG A 92 -14.919 -7.998 6.633 1.00 1.78 H new ATOM 0 HE ARG A 92 -13.254 -9.960 6.954 1.00 3.72 H new ATOM 0 HH11 ARG A 92 -15.948 -9.341 9.188 1.00 4.42 H new ATOM 0 HH12 ARG A 92 -15.919 -11.001 9.791 1.00 4.42 H new ATOM 0 HH21 ARG A 92 -13.224 -12.000 7.832 1.00 6.71 H new ATOM 0 HH22 ARG A 92 -14.421 -12.462 9.045 1.00 6.71 H new ATOM 1476 N TYR A 93 -9.993 -6.155 7.157 1.00 0.64 N ATOM 1477 CA TYR A 93 -8.662 -6.690 7.472 1.00 0.64 C ATOM 1478 C TYR A 93 -7.610 -5.592 7.664 1.00 0.99 C ATOM 1479 O TYR A 93 -6.803 -5.660 8.588 1.00 1.21 O ATOM 1480 CB TYR A 93 -8.246 -7.652 6.354 1.00 0.74 C ATOM 1481 CG TYR A 93 -7.005 -8.492 6.598 1.00 1.00 C ATOM 1482 CD1 TYR A 93 -6.801 -9.128 7.841 1.00 1.85 C ATOM 1483 CD2 TYR A 93 -6.106 -8.727 5.538 1.00 2.31 C ATOM 1484 CE1 TYR A 93 -5.747 -10.046 8.001 1.00 2.03 C ATOM 1485 CE2 TYR A 93 -5.053 -9.648 5.693 1.00 2.61 C ATOM 1486 CZ TYR A 93 -4.899 -10.342 6.914 1.00 1.76 C ATOM 1487 OH TYR A 93 -3.978 -11.333 7.027 1.00 2.31 O ATOM 0 H TYR A 93 -10.277 -6.320 6.191 1.00 0.64 H new ATOM 0 HA TYR A 93 -8.722 -7.217 8.424 1.00 0.64 H new ATOM 0 HB2 TYR A 93 -9.080 -8.327 6.159 1.00 0.74 H new ATOM 0 HB3 TYR A 93 -8.089 -7.070 5.446 1.00 0.74 H new ATOM 0 HD1 TYR A 93 -7.456 -8.909 8.672 1.00 1.85 H new ATOM 0 HD2 TYR A 93 -6.226 -8.199 4.604 1.00 2.31 H new ATOM 0 HE1 TYR A 93 -5.587 -10.524 8.956 1.00 2.03 H new ATOM 0 HE2 TYR A 93 -4.364 -9.824 4.880 1.00 2.61 H new ATOM 0 HH TYR A 93 -4.113 -11.988 6.311 1.00 2.31 H new ATOM 1497 N ALA A 94 -7.653 -4.548 6.827 1.00 0.56 N ATOM 1498 CA ALA A 94 -6.807 -3.361 6.981 1.00 0.59 C ATOM 1499 C ALA A 94 -7.127 -2.595 8.281 1.00 0.84 C ATOM 1500 O ALA A 94 -6.237 -2.329 9.096 1.00 0.97 O ATOM 1501 CB ALA A 94 -6.971 -2.488 5.726 1.00 0.65 C ATOM 0 H ALA A 94 -8.278 -4.504 6.022 1.00 0.56 H new ATOM 0 HA ALA A 94 -5.763 -3.659 7.073 1.00 0.59 H new ATOM 0 HB1 ALA A 94 -6.349 -1.597 5.819 1.00 0.65 H new ATOM 0 HB2 ALA A 94 -6.665 -3.054 4.846 1.00 0.65 H new ATOM 0 HB3 ALA A 94 -8.015 -2.193 5.622 1.00 0.65 H new ATOM 1507 N LYS A 95 -8.406 -2.284 8.518 1.00 0.64 N ATOM 1508 CA LYS A 95 -8.823 -1.559 9.721 1.00 0.79 C ATOM 1509 C LYS A 95 -8.728 -2.359 11.030 1.00 0.98 C ATOM 1510 O LYS A 95 -8.607 -1.727 12.080 1.00 1.23 O ATOM 1511 CB LYS A 95 -10.200 -0.900 9.517 1.00 1.11 C ATOM 1512 CG LYS A 95 -10.052 0.368 8.658 1.00 1.81 C ATOM 1513 CD LYS A 95 -11.237 1.337 8.793 1.00 1.29 C ATOM 1514 CE LYS A 95 -12.430 0.950 7.917 1.00 1.22 C ATOM 1515 NZ LYS A 95 -12.179 1.277 6.497 1.00 1.30 N ATOM 0 H LYS A 95 -9.172 -2.525 7.889 1.00 0.64 H new ATOM 0 HA LYS A 95 -8.086 -0.768 9.858 1.00 0.79 H new ATOM 0 HB2 LYS A 95 -10.880 -1.601 9.032 1.00 1.11 H new ATOM 0 HB3 LYS A 95 -10.638 -0.647 10.482 1.00 1.11 H new ATOM 0 HG2 LYS A 95 -9.135 0.885 8.941 1.00 1.81 H new ATOM 0 HG3 LYS A 95 -9.945 0.079 7.612 1.00 1.81 H new ATOM 0 HD2 LYS A 95 -11.555 1.371 9.835 1.00 1.29 H new ATOM 0 HD3 LYS A 95 -10.909 2.342 8.527 1.00 1.29 H new ATOM 0 HE2 LYS A 95 -12.627 -0.117 8.018 1.00 1.22 H new ATOM 0 HE3 LYS A 95 -13.322 1.473 8.261 1.00 1.22 H new ATOM 0 HZ1 LYS A 95 -13.005 1.004 5.927 1.00 1.30 H new ATOM 0 HZ2 LYS A 95 -12.014 2.299 6.400 1.00 1.30 H new ATOM 0 HZ3 LYS A 95 -11.341 0.758 6.164 1.00 1.30 H new ATOM 1529 N ALA A 96 -8.681 -3.699 10.995 1.00 0.69 N ATOM 1530 CA ALA A 96 -8.365 -4.523 12.170 1.00 0.77 C ATOM 1531 C ALA A 96 -6.965 -4.245 12.751 1.00 0.96 C ATOM 1532 O ALA A 96 -6.771 -4.386 13.958 1.00 1.19 O ATOM 1533 CB ALA A 96 -8.517 -6.003 11.798 1.00 0.81 C ATOM 0 H ALA A 96 -8.861 -4.242 10.150 1.00 0.69 H new ATOM 0 HA ALA A 96 -9.069 -4.258 12.958 1.00 0.77 H new ATOM 0 HB1 ALA A 96 -8.284 -6.622 12.665 1.00 0.81 H new ATOM 0 HB2 ALA A 96 -9.542 -6.195 11.480 1.00 0.81 H new ATOM 0 HB3 ALA A 96 -7.833 -6.246 10.985 1.00 0.81 H new ATOM 1539 N PHE A 97 -6.011 -3.805 11.918 1.00 0.83 N ATOM 1540 CA PHE A 97 -4.715 -3.295 12.372 1.00 0.91 C ATOM 1541 C PHE A 97 -4.775 -1.826 12.767 1.00 1.81 C ATOM 1542 O PHE A 97 -4.182 -1.442 13.777 1.00 2.16 O ATOM 1543 CB PHE A 97 -3.656 -3.549 11.292 1.00 1.05 C ATOM 1544 CG PHE A 97 -3.170 -4.966 11.424 1.00 1.20 C ATOM 1545 CD1 PHE A 97 -3.837 -6.008 10.763 1.00 2.31 C ATOM 1546 CD2 PHE A 97 -2.184 -5.249 12.385 1.00 2.34 C ATOM 1547 CE1 PHE A 97 -3.558 -7.341 11.100 1.00 2.39 C ATOM 1548 CE2 PHE A 97 -1.895 -6.583 12.716 1.00 2.33 C ATOM 1549 CZ PHE A 97 -2.600 -7.627 12.091 1.00 1.49 C ATOM 0 H PHE A 97 -6.121 -3.794 10.904 1.00 0.83 H new ATOM 0 HA PHE A 97 -4.435 -3.836 13.276 1.00 0.91 H new ATOM 0 HB2 PHE A 97 -4.079 -3.384 10.301 1.00 1.05 H new ATOM 0 HB3 PHE A 97 -2.826 -2.852 11.404 1.00 1.05 H new ATOM 0 HD1 PHE A 97 -4.564 -5.785 9.996 1.00 2.31 H new ATOM 0 HD2 PHE A 97 -1.650 -4.443 12.867 1.00 2.34 H new ATOM 0 HE1 PHE A 97 -4.077 -8.146 10.600 1.00 2.39 H new ATOM 0 HE2 PHE A 97 -1.133 -6.806 13.448 1.00 2.33 H new ATOM 0 HZ PHE A 97 -2.406 -8.652 12.372 1.00 1.49 H new ATOM 1559 N HIS A 98 -5.473 -0.994 11.990 1.00 0.96 N ATOM 1560 CA HIS A 98 -5.584 0.423 12.310 1.00 1.03 C ATOM 1561 C HIS A 98 -6.762 1.131 11.611 1.00 1.27 C ATOM 1562 O HIS A 98 -6.785 1.165 10.379 1.00 1.35 O ATOM 1563 CB HIS A 98 -4.239 1.094 11.977 1.00 1.14 C ATOM 1564 CG HIS A 98 -3.948 2.247 12.895 1.00 1.54 C ATOM 1565 ND1 HIS A 98 -3.692 3.555 12.545 1.00 2.24 N ATOM 1566 CD2 HIS A 98 -3.925 2.185 14.261 1.00 2.33 C ATOM 1567 CE1 HIS A 98 -3.555 4.259 13.682 1.00 3.02 C ATOM 1568 NE2 HIS A 98 -3.684 3.462 14.750 1.00 3.12 N ATOM 0 H HIS A 98 -5.964 -1.278 11.143 1.00 0.96 H new ATOM 0 HA HIS A 98 -5.806 0.516 13.373 1.00 1.03 H new ATOM 0 HB2 HIS A 98 -3.438 0.359 12.052 1.00 1.14 H new ATOM 0 HB3 HIS A 98 -4.254 1.446 10.945 1.00 1.14 H new ATOM 0 HD2 HIS A 98 -4.069 1.296 14.857 1.00 2.33 H new ATOM 0 HE1 HIS A 98 -3.367 5.321 13.728 1.00 3.02 H new ATOM 0 HE2 HIS A 98 -3.618 3.738 15.730 1.00 3.12 H new ATOM 1577 N PRO A 99 -7.697 1.773 12.345 1.00 1.08 N ATOM 1578 CA PRO A 99 -8.921 2.351 11.775 1.00 1.21 C ATOM 1579 C PRO A 99 -8.685 3.558 10.851 1.00 1.37 C ATOM 1580 O PRO A 99 -9.611 4.017 10.196 1.00 1.43 O ATOM 1581 CB PRO A 99 -9.798 2.717 12.978 1.00 1.50 C ATOM 1582 CG PRO A 99 -8.783 2.984 14.086 1.00 1.54 C ATOM 1583 CD PRO A 99 -7.691 1.959 13.791 1.00 1.30 C ATOM 0 HA PRO A 99 -9.399 1.626 11.116 1.00 1.21 H new ATOM 0 HB2 PRO A 99 -10.412 3.594 12.776 1.00 1.50 H new ATOM 0 HB3 PRO A 99 -10.477 1.906 13.242 1.00 1.50 H new ATOM 0 HG2 PRO A 99 -8.402 4.004 14.049 1.00 1.54 H new ATOM 0 HG3 PRO A 99 -9.216 2.841 15.076 1.00 1.54 H new ATOM 0 HD2 PRO A 99 -6.719 2.314 14.135 1.00 1.30 H new ATOM 0 HD3 PRO A 99 -7.888 1.019 14.306 1.00 1.30 H new ATOM 1591 N SER A 100 -7.450 4.052 10.751 1.00 1.19 N ATOM 1592 CA SER A 100 -7.034 5.063 9.767 1.00 1.33 C ATOM 1593 C SER A 100 -6.975 4.558 8.307 1.00 1.28 C ATOM 1594 O SER A 100 -6.698 5.360 7.407 1.00 1.48 O ATOM 1595 CB SER A 100 -5.638 5.546 10.195 1.00 1.65 C ATOM 1596 OG SER A 100 -5.005 6.343 9.221 1.00 2.41 O ATOM 0 H SER A 100 -6.691 3.756 11.364 1.00 1.19 H new ATOM 0 HA SER A 100 -7.784 5.854 9.764 1.00 1.33 H new ATOM 0 HB2 SER A 100 -5.725 6.115 11.121 1.00 1.65 H new ATOM 0 HB3 SER A 100 -5.011 4.681 10.411 1.00 1.65 H new ATOM 0 HG SER A 100 -4.432 7.005 9.662 1.00 2.41 H new ATOM 1602 N PHE A 101 -7.136 3.251 8.068 1.00 0.93 N ATOM 1603 CA PHE A 101 -6.832 2.599 6.793 1.00 0.87 C ATOM 1604 C PHE A 101 -8.078 2.357 5.923 1.00 1.84 C ATOM 1605 O PHE A 101 -9.211 2.287 6.409 1.00 2.30 O ATOM 1606 CB PHE A 101 -6.106 1.266 7.080 1.00 0.89 C ATOM 1607 CG PHE A 101 -4.725 1.312 7.733 1.00 1.24 C ATOM 1608 CD1 PHE A 101 -4.086 2.522 8.086 1.00 2.52 C ATOM 1609 CD2 PHE A 101 -4.041 0.098 7.934 1.00 1.86 C ATOM 1610 CE1 PHE A 101 -2.774 2.518 8.583 1.00 2.75 C ATOM 1611 CE2 PHE A 101 -2.726 0.091 8.427 1.00 1.91 C ATOM 1612 CZ PHE A 101 -2.086 1.306 8.723 1.00 1.98 C ATOM 0 H PHE A 101 -7.489 2.604 8.773 1.00 0.93 H new ATOM 0 HA PHE A 101 -6.193 3.270 6.219 1.00 0.87 H new ATOM 0 HB2 PHE A 101 -6.755 0.667 7.719 1.00 0.89 H new ATOM 0 HB3 PHE A 101 -6.008 0.732 6.135 1.00 0.89 H new ATOM 0 HD1 PHE A 101 -4.612 3.458 7.972 1.00 2.52 H new ATOM 0 HD2 PHE A 101 -4.532 -0.837 7.707 1.00 1.86 H new ATOM 0 HE1 PHE A 101 -2.296 3.447 8.857 1.00 2.75 H new ATOM 0 HE2 PHE A 101 -2.209 -0.845 8.578 1.00 1.91 H new ATOM 0 HZ PHE A 101 -1.060 1.306 9.060 1.00 1.98 H new ATOM 1622 N LEU A 102 -7.837 2.159 4.624 1.00 0.72 N ATOM 1623 CA LEU A 102 -8.826 1.708 3.640 1.00 0.62 C ATOM 1624 C LEU A 102 -8.304 0.453 2.921 1.00 0.91 C ATOM 1625 O LEU A 102 -7.152 0.444 2.480 1.00 1.20 O ATOM 1626 CB LEU A 102 -9.050 2.858 2.635 1.00 0.65 C ATOM 1627 CG LEU A 102 -10.473 3.060 2.088 1.00 0.90 C ATOM 1628 CD1 LEU A 102 -11.058 1.802 1.439 1.00 1.19 C ATOM 1629 CD2 LEU A 102 -11.421 3.582 3.178 1.00 2.27 C ATOM 0 H LEU A 102 -6.916 2.314 4.214 1.00 0.72 H new ATOM 0 HA LEU A 102 -9.768 1.452 4.125 1.00 0.62 H new ATOM 0 HB2 LEU A 102 -8.739 3.787 3.113 1.00 0.65 H new ATOM 0 HB3 LEU A 102 -8.384 2.697 1.787 1.00 0.65 H new ATOM 0 HG LEU A 102 -10.383 3.810 1.302 1.00 0.90 H new ATOM 0 HD11 LEU A 102 -12.063 2.014 1.075 1.00 1.19 H new ATOM 0 HD12 LEU A 102 -10.427 1.496 0.605 1.00 1.19 H new ATOM 0 HD13 LEU A 102 -11.101 0.999 2.175 1.00 1.19 H new ATOM 0 HD21 LEU A 102 -12.419 3.714 2.760 1.00 2.27 H new ATOM 0 HD22 LEU A 102 -11.463 2.864 3.997 1.00 2.27 H new ATOM 0 HD23 LEU A 102 -11.054 4.538 3.552 1.00 2.27 H new ATOM 1641 N GLY A 103 -9.135 -0.576 2.757 1.00 0.57 N ATOM 1642 CA GLY A 103 -8.876 -1.703 1.854 1.00 0.57 C ATOM 1643 C GLY A 103 -9.670 -1.564 0.558 1.00 0.64 C ATOM 1644 O GLY A 103 -10.889 -1.403 0.591 1.00 0.72 O ATOM 0 H GLY A 103 -10.022 -0.654 3.255 1.00 0.57 H new ATOM 0 HA2 GLY A 103 -7.811 -1.754 1.628 1.00 0.57 H new ATOM 0 HA3 GLY A 103 -9.142 -2.637 2.348 1.00 0.57 H new ATOM 1648 N LEU A 104 -8.987 -1.650 -0.585 1.00 0.62 N ATOM 1649 CA LEU A 104 -9.596 -1.638 -1.917 1.00 0.56 C ATOM 1650 C LEU A 104 -9.404 -2.989 -2.630 1.00 1.06 C ATOM 1651 O LEU A 104 -8.305 -3.539 -2.719 1.00 1.30 O ATOM 1652 CB LEU A 104 -9.018 -0.478 -2.748 1.00 0.58 C ATOM 1653 CG LEU A 104 -9.257 0.944 -2.202 1.00 0.81 C ATOM 1654 CD1 LEU A 104 -8.591 1.963 -3.140 1.00 0.89 C ATOM 1655 CD2 LEU A 104 -10.744 1.303 -2.074 1.00 1.22 C ATOM 0 H LEU A 104 -7.971 -1.732 -0.611 1.00 0.62 H new ATOM 0 HA LEU A 104 -10.669 -1.483 -1.807 1.00 0.56 H new ATOM 0 HB2 LEU A 104 -7.943 -0.630 -2.845 1.00 0.58 H new ATOM 0 HB3 LEU A 104 -9.440 -0.534 -3.752 1.00 0.58 H new ATOM 0 HG LEU A 104 -8.825 0.973 -1.202 1.00 0.81 H new ATOM 0 HD11 LEU A 104 -8.757 2.971 -2.759 1.00 0.89 H new ATOM 0 HD12 LEU A 104 -7.520 1.766 -3.190 1.00 0.89 H new ATOM 0 HD13 LEU A 104 -9.023 1.876 -4.137 1.00 0.89 H new ATOM 0 HD21 LEU A 104 -10.841 2.316 -1.684 1.00 1.22 H new ATOM 0 HD22 LEU A 104 -11.218 1.244 -3.054 1.00 1.22 H new ATOM 0 HD23 LEU A 104 -11.230 0.604 -1.393 1.00 1.22 H new ATOM 1667 N SER A 105 -10.501 -3.521 -3.161 1.00 0.57 N ATOM 1668 CA SER A 105 -10.516 -4.663 -4.069 1.00 0.61 C ATOM 1669 C SER A 105 -11.639 -4.456 -5.082 1.00 0.86 C ATOM 1670 O SER A 105 -12.712 -3.981 -4.706 1.00 1.14 O ATOM 1671 CB SER A 105 -10.755 -5.967 -3.313 1.00 0.73 C ATOM 1672 OG SER A 105 -10.289 -7.038 -4.111 1.00 0.96 O ATOM 0 H SER A 105 -11.434 -3.157 -2.965 1.00 0.57 H new ATOM 0 HA SER A 105 -9.549 -4.733 -4.567 1.00 0.61 H new ATOM 0 HB2 SER A 105 -10.233 -5.952 -2.356 1.00 0.73 H new ATOM 0 HB3 SER A 105 -11.816 -6.090 -3.095 1.00 0.73 H new ATOM 0 HG SER A 105 -10.710 -7.873 -3.816 1.00 0.96 H new ATOM 1678 N GLY A 106 -11.424 -4.796 -6.351 1.00 0.74 N ATOM 1679 CA GLY A 106 -12.412 -4.554 -7.395 1.00 0.85 C ATOM 1680 C GLY A 106 -12.311 -5.475 -8.589 1.00 0.84 C ATOM 1681 O GLY A 106 -11.641 -6.506 -8.573 1.00 0.96 O ATOM 0 H GLY A 106 -10.568 -5.243 -6.680 1.00 0.74 H new ATOM 0 HA2 GLY A 106 -13.408 -4.651 -6.963 1.00 0.85 H new ATOM 0 HA3 GLY A 106 -12.312 -3.524 -7.739 1.00 0.85 H new ATOM 1685 N SER A 107 -12.998 -5.063 -9.641 1.00 0.72 N ATOM 1686 CA SER A 107 -12.979 -5.670 -10.963 1.00 0.80 C ATOM 1687 C SER A 107 -11.544 -5.956 -11.461 1.00 0.88 C ATOM 1688 O SER A 107 -10.626 -5.152 -11.248 1.00 0.87 O ATOM 1689 CB SER A 107 -13.749 -4.766 -11.939 1.00 0.98 C ATOM 1690 OG SER A 107 -13.160 -3.483 -12.053 1.00 1.83 O ATOM 0 H SER A 107 -13.617 -4.254 -9.594 1.00 0.72 H new ATOM 0 HA SER A 107 -13.470 -6.642 -10.906 1.00 0.80 H new ATOM 0 HB2 SER A 107 -13.782 -5.238 -12.921 1.00 0.98 H new ATOM 0 HB3 SER A 107 -14.780 -4.663 -11.600 1.00 0.98 H new ATOM 0 HG SER A 107 -13.230 -3.013 -11.196 1.00 1.83 H new ATOM 1696 N PRO A 108 -11.311 -7.082 -12.166 1.00 0.85 N ATOM 1697 CA PRO A 108 -9.965 -7.485 -12.575 1.00 0.97 C ATOM 1698 C PRO A 108 -9.319 -6.488 -13.546 1.00 1.21 C ATOM 1699 O PRO A 108 -8.097 -6.390 -13.574 1.00 1.10 O ATOM 1700 CB PRO A 108 -10.121 -8.879 -13.187 1.00 1.17 C ATOM 1701 CG PRO A 108 -11.574 -8.912 -13.653 1.00 1.15 C ATOM 1702 CD PRO A 108 -12.288 -8.070 -12.597 1.00 1.00 C ATOM 0 HA PRO A 108 -9.285 -7.501 -11.723 1.00 0.97 H new ATOM 0 HB2 PRO A 108 -9.431 -9.031 -14.017 1.00 1.17 H new ATOM 0 HB3 PRO A 108 -9.917 -9.662 -12.456 1.00 1.17 H new ATOM 0 HG2 PRO A 108 -11.688 -8.490 -14.652 1.00 1.15 H new ATOM 0 HG3 PRO A 108 -11.964 -9.929 -13.690 1.00 1.15 H new ATOM 0 HD2 PRO A 108 -13.175 -7.591 -13.011 1.00 1.00 H new ATOM 0 HD3 PRO A 108 -12.619 -8.686 -11.761 1.00 1.00 H new ATOM 1710 N GLU A 109 -10.119 -5.716 -14.296 1.00 0.96 N ATOM 1711 CA GLU A 109 -9.623 -4.603 -15.109 1.00 0.98 C ATOM 1712 C GLU A 109 -9.151 -3.432 -14.229 1.00 1.11 C ATOM 1713 O GLU A 109 -8.042 -2.937 -14.409 1.00 1.28 O ATOM 1714 CB GLU A 109 -10.677 -4.157 -16.134 1.00 1.15 C ATOM 1715 CG GLU A 109 -11.054 -5.305 -17.091 1.00 1.21 C ATOM 1716 CD GLU A 109 -11.225 -4.827 -18.534 1.00 2.90 C ATOM 1717 OE1 GLU A 109 -10.190 -4.421 -19.109 1.00 4.27 O ATOM 1718 OE2 GLU A 109 -12.352 -4.918 -19.050 1.00 3.82 O ATOM 0 H GLU A 109 -11.129 -5.848 -14.354 1.00 0.96 H new ATOM 0 HA GLU A 109 -8.754 -4.956 -15.665 1.00 0.98 H new ATOM 0 HB2 GLU A 109 -11.569 -3.809 -15.613 1.00 1.15 H new ATOM 0 HB3 GLU A 109 -10.294 -3.314 -16.709 1.00 1.15 H new ATOM 0 HG2 GLU A 109 -10.282 -6.074 -17.055 1.00 1.21 H new ATOM 0 HG3 GLU A 109 -11.981 -5.768 -16.752 1.00 1.21 H new ATOM 1725 N ALA A 110 -9.919 -3.041 -13.206 1.00 0.77 N ATOM 1726 CA ALA A 110 -9.478 -2.028 -12.247 1.00 0.65 C ATOM 1727 C ALA A 110 -8.222 -2.465 -11.471 1.00 0.76 C ATOM 1728 O ALA A 110 -7.254 -1.704 -11.397 1.00 0.80 O ATOM 1729 CB ALA A 110 -10.655 -1.717 -11.319 1.00 0.69 C ATOM 0 H ALA A 110 -10.851 -3.413 -13.023 1.00 0.77 H new ATOM 0 HA ALA A 110 -9.180 -1.124 -12.779 1.00 0.65 H new ATOM 0 HB1 ALA A 110 -10.355 -0.963 -10.591 1.00 0.69 H new ATOM 0 HB2 ALA A 110 -11.492 -1.341 -11.907 1.00 0.69 H new ATOM 0 HB3 ALA A 110 -10.957 -2.625 -10.797 1.00 0.69 H new ATOM 1735 N VAL A 111 -8.203 -3.704 -10.957 1.00 0.59 N ATOM 1736 CA VAL A 111 -7.027 -4.261 -10.256 1.00 0.60 C ATOM 1737 C VAL A 111 -5.784 -4.232 -11.161 1.00 1.01 C ATOM 1738 O VAL A 111 -4.725 -3.769 -10.728 1.00 0.87 O ATOM 1739 CB VAL A 111 -7.291 -5.693 -9.732 1.00 0.65 C ATOM 1740 CG1 VAL A 111 -6.027 -6.397 -9.199 1.00 1.08 C ATOM 1741 CG2 VAL A 111 -8.339 -5.678 -8.611 1.00 1.05 C ATOM 0 H VAL A 111 -8.993 -4.347 -11.012 1.00 0.59 H new ATOM 0 HA VAL A 111 -6.838 -3.627 -9.390 1.00 0.60 H new ATOM 0 HB VAL A 111 -7.651 -6.253 -10.595 1.00 0.65 H new ATOM 0 HG11 VAL A 111 -6.287 -7.396 -8.849 1.00 1.08 H new ATOM 0 HG12 VAL A 111 -5.289 -6.473 -9.998 1.00 1.08 H new ATOM 0 HG13 VAL A 111 -5.610 -5.820 -8.374 1.00 1.08 H new ATOM 0 HG21 VAL A 111 -8.509 -6.695 -8.258 1.00 1.05 H new ATOM 0 HG22 VAL A 111 -7.980 -5.063 -7.786 1.00 1.05 H new ATOM 0 HG23 VAL A 111 -9.273 -5.266 -8.992 1.00 1.05 H new ATOM 1751 N ARG A 112 -5.901 -4.686 -12.422 1.00 0.65 N ATOM 1752 CA ARG A 112 -4.742 -4.735 -13.326 1.00 0.68 C ATOM 1753 C ARG A 112 -4.278 -3.343 -13.758 1.00 0.96 C ATOM 1754 O ARG A 112 -3.073 -3.113 -13.757 1.00 1.07 O ATOM 1755 CB ARG A 112 -4.955 -5.709 -14.497 1.00 0.85 C ATOM 1756 CG ARG A 112 -5.894 -5.290 -15.633 1.00 2.12 C ATOM 1757 CD ARG A 112 -5.193 -4.548 -16.777 1.00 2.76 C ATOM 1758 NE ARG A 112 -6.078 -3.641 -17.521 1.00 4.46 N ATOM 1759 CZ ARG A 112 -7.211 -3.895 -18.155 1.00 5.80 C ATOM 1760 NH1 ARG A 112 -7.698 -5.103 -18.287 1.00 5.96 N ATOM 1761 NH2 ARG A 112 -7.905 -2.917 -18.682 1.00 7.37 N ATOM 0 H ARG A 112 -6.774 -5.019 -12.832 1.00 0.65 H new ATOM 0 HA ARG A 112 -3.911 -5.148 -12.754 1.00 0.68 H new ATOM 0 HB2 ARG A 112 -3.979 -5.921 -14.934 1.00 0.85 H new ATOM 0 HB3 ARG A 112 -5.330 -6.646 -14.085 1.00 0.85 H new ATOM 0 HG2 ARG A 112 -6.382 -6.178 -16.034 1.00 2.12 H new ATOM 0 HG3 ARG A 112 -6.678 -4.652 -15.226 1.00 2.12 H new ATOM 0 HD2 ARG A 112 -4.359 -3.976 -16.370 1.00 2.76 H new ATOM 0 HD3 ARG A 112 -4.772 -5.278 -17.468 1.00 2.76 H new ATOM 0 HE ARG A 112 -5.772 -2.668 -17.554 1.00 4.46 H new ATOM 0 HH11 ARG A 112 -7.199 -5.900 -17.892 1.00 5.96 H new ATOM 0 HH12 ARG A 112 -8.576 -5.247 -18.785 1.00 5.96 H new ATOM 0 HH21 ARG A 112 -7.572 -1.956 -18.604 1.00 7.37 H new ATOM 0 HH22 ARG A 112 -8.778 -3.117 -19.170 1.00 7.37 H new ATOM 1775 N GLU A 113 -5.188 -2.417 -14.064 1.00 0.77 N ATOM 1776 CA GLU A 113 -4.833 -1.014 -14.356 1.00 0.84 C ATOM 1777 C GLU A 113 -3.943 -0.401 -13.258 1.00 1.06 C ATOM 1778 O GLU A 113 -2.872 0.139 -13.550 1.00 1.10 O ATOM 1779 CB GLU A 113 -6.067 -0.133 -14.553 1.00 0.95 C ATOM 1780 CG GLU A 113 -6.742 -0.326 -15.913 1.00 1.28 C ATOM 1781 CD GLU A 113 -5.833 -0.071 -17.116 1.00 2.08 C ATOM 1782 OE1 GLU A 113 -5.200 -1.053 -17.573 1.00 3.16 O ATOM 1783 OE2 GLU A 113 -5.807 1.072 -17.602 1.00 2.72 O ATOM 0 H GLU A 113 -6.188 -2.610 -14.118 1.00 0.77 H new ATOM 0 HA GLU A 113 -4.272 -1.042 -15.290 1.00 0.84 H new ATOM 0 HB2 GLU A 113 -6.788 -0.349 -13.764 1.00 0.95 H new ATOM 0 HB3 GLU A 113 -5.779 0.913 -14.444 1.00 0.95 H new ATOM 0 HG2 GLU A 113 -7.125 -1.345 -15.973 1.00 1.28 H new ATOM 0 HG3 GLU A 113 -7.601 0.342 -15.975 1.00 1.28 H new ATOM 1790 N ALA A 114 -4.350 -0.526 -11.989 1.00 0.73 N ATOM 1791 CA ALA A 114 -3.604 0.006 -10.845 1.00 0.74 C ATOM 1792 C ALA A 114 -2.232 -0.667 -10.672 1.00 0.89 C ATOM 1793 O ALA A 114 -1.219 0.015 -10.518 1.00 1.02 O ATOM 1794 CB ALA A 114 -4.479 -0.149 -9.593 1.00 0.78 C ATOM 0 H ALA A 114 -5.213 -1.003 -11.727 1.00 0.73 H new ATOM 0 HA ALA A 114 -3.386 1.060 -11.017 1.00 0.74 H new ATOM 0 HB1 ALA A 114 -3.946 0.240 -8.726 1.00 0.78 H new ATOM 0 HB2 ALA A 114 -5.408 0.406 -9.727 1.00 0.78 H new ATOM 0 HB3 ALA A 114 -4.706 -1.203 -9.436 1.00 0.78 H new ATOM 1800 N ALA A 115 -2.186 -2.004 -10.726 1.00 0.57 N ATOM 1801 CA ALA A 115 -0.960 -2.790 -10.581 1.00 0.58 C ATOM 1802 C ALA A 115 0.068 -2.455 -11.670 1.00 0.77 C ATOM 1803 O ALA A 115 1.214 -2.134 -11.353 1.00 0.86 O ATOM 1804 CB ALA A 115 -1.343 -4.275 -10.610 1.00 0.63 C ATOM 0 H ALA A 115 -3.016 -2.578 -10.874 1.00 0.57 H new ATOM 0 HA ALA A 115 -0.482 -2.546 -9.632 1.00 0.58 H new ATOM 0 HB1 ALA A 115 -0.446 -4.884 -10.504 1.00 0.63 H new ATOM 0 HB2 ALA A 115 -2.027 -4.490 -9.789 1.00 0.63 H new ATOM 0 HB3 ALA A 115 -1.829 -4.507 -11.558 1.00 0.63 H new ATOM 1810 N GLN A 116 -0.358 -2.451 -12.938 1.00 0.64 N ATOM 1811 CA GLN A 116 0.468 -2.077 -14.091 1.00 0.72 C ATOM 1812 C GLN A 116 1.096 -0.691 -13.908 1.00 1.09 C ATOM 1813 O GLN A 116 2.276 -0.523 -14.197 1.00 1.20 O ATOM 1814 CB GLN A 116 -0.406 -2.036 -15.357 1.00 0.82 C ATOM 1815 CG GLN A 116 -0.816 -3.416 -15.904 1.00 1.26 C ATOM 1816 CD GLN A 116 -1.926 -3.373 -16.963 1.00 2.45 C ATOM 1817 OE1 GLN A 116 -2.250 -4.382 -17.567 1.00 2.97 O ATOM 1818 NE2 GLN A 116 -2.594 -2.257 -17.180 1.00 3.66 N ATOM 0 H GLN A 116 -1.309 -2.714 -13.197 1.00 0.64 H new ATOM 0 HA GLN A 116 1.261 -2.820 -14.182 1.00 0.72 H new ATOM 0 HB2 GLN A 116 -1.308 -1.464 -15.140 1.00 0.82 H new ATOM 0 HB3 GLN A 116 0.133 -1.497 -16.136 1.00 0.82 H new ATOM 0 HG2 GLN A 116 0.062 -3.898 -16.334 1.00 1.26 H new ATOM 0 HG3 GLN A 116 -1.147 -4.039 -15.073 1.00 1.26 H new ATOM 0 HE21 GLN A 116 -2.337 -1.404 -16.684 1.00 3.66 H new ATOM 0 HE22 GLN A 116 -3.368 -2.247 -17.844 1.00 3.66 H new ATOM 1827 N THR A 117 0.312 0.274 -13.417 1.00 0.69 N ATOM 1828 CA THR A 117 0.692 1.697 -13.379 1.00 0.79 C ATOM 1829 C THR A 117 1.831 1.972 -12.398 1.00 1.03 C ATOM 1830 O THR A 117 2.674 2.834 -12.662 1.00 1.00 O ATOM 1831 CB THR A 117 -0.563 2.532 -13.091 1.00 0.93 C ATOM 1832 OG1 THR A 117 -1.439 2.354 -14.177 1.00 1.32 O ATOM 1833 CG2 THR A 117 -0.281 4.028 -12.984 1.00 1.16 C ATOM 0 H THR A 117 -0.614 0.091 -13.030 1.00 0.69 H new ATOM 0 HA THR A 117 1.091 1.989 -14.350 1.00 0.79 H new ATOM 0 HB THR A 117 -0.971 2.200 -12.136 1.00 0.93 H new ATOM 0 HG1 THR A 117 -2.049 1.611 -13.987 1.00 1.32 H new ATOM 0 HG21 THR A 117 -1.210 4.560 -12.780 1.00 1.16 H new ATOM 0 HG22 THR A 117 0.426 4.208 -12.174 1.00 1.16 H new ATOM 0 HG23 THR A 117 0.143 4.386 -13.922 1.00 1.16 H new ATOM 1841 N PHE A 118 1.854 1.264 -11.268 1.00 0.69 N ATOM 1842 CA PHE A 118 2.991 1.167 -10.344 1.00 0.75 C ATOM 1843 C PHE A 118 4.120 0.196 -10.759 1.00 1.81 C ATOM 1844 O PHE A 118 5.246 0.353 -10.292 1.00 2.14 O ATOM 1845 CB PHE A 118 2.442 0.885 -8.940 1.00 0.74 C ATOM 1846 CG PHE A 118 1.804 2.117 -8.322 1.00 0.91 C ATOM 1847 CD1 PHE A 118 2.612 3.097 -7.719 1.00 2.08 C ATOM 1848 CD2 PHE A 118 0.415 2.320 -8.403 1.00 2.07 C ATOM 1849 CE1 PHE A 118 2.037 4.260 -7.177 1.00 2.25 C ATOM 1850 CE2 PHE A 118 -0.159 3.492 -7.881 1.00 1.91 C ATOM 1851 CZ PHE A 118 0.650 4.455 -7.255 1.00 1.20 C ATOM 0 H PHE A 118 1.050 0.719 -10.956 1.00 0.69 H new ATOM 0 HA PHE A 118 3.508 2.126 -10.367 1.00 0.75 H new ATOM 0 HB2 PHE A 118 1.706 0.083 -8.993 1.00 0.74 H new ATOM 0 HB3 PHE A 118 3.250 0.534 -8.298 1.00 0.74 H new ATOM 0 HD1 PHE A 118 3.682 2.955 -7.672 1.00 2.08 H new ATOM 0 HD2 PHE A 118 -0.212 1.574 -8.867 1.00 2.07 H new ATOM 0 HE1 PHE A 118 2.662 5.002 -6.702 1.00 2.25 H new ATOM 0 HE2 PHE A 118 -1.224 3.653 -7.961 1.00 1.91 H new ATOM 0 HZ PHE A 118 0.205 5.344 -6.834 1.00 1.20 H new ATOM 1861 N GLY A 119 3.836 -0.804 -11.612 1.00 0.75 N ATOM 1862 CA GLY A 119 4.776 -1.867 -12.025 1.00 0.78 C ATOM 1863 C GLY A 119 4.632 -3.192 -11.270 1.00 0.81 C ATOM 1864 O GLY A 119 5.532 -4.026 -11.333 1.00 0.98 O ATOM 0 H GLY A 119 2.919 -0.900 -12.048 1.00 0.75 H new ATOM 0 HA2 GLY A 119 4.640 -2.057 -13.090 1.00 0.78 H new ATOM 0 HA3 GLY A 119 5.794 -1.501 -11.894 1.00 0.78 H new ATOM 1868 N VAL A 120 3.524 -3.406 -10.562 1.00 0.58 N ATOM 1869 CA VAL A 120 3.218 -4.644 -9.825 1.00 0.53 C ATOM 1870 C VAL A 120 2.743 -5.747 -10.775 1.00 0.74 C ATOM 1871 O VAL A 120 1.950 -5.505 -11.688 1.00 0.96 O ATOM 1872 CB VAL A 120 2.155 -4.382 -8.736 1.00 0.61 C ATOM 1873 CG1 VAL A 120 1.583 -5.650 -8.074 1.00 0.81 C ATOM 1874 CG2 VAL A 120 2.775 -3.495 -7.652 1.00 1.14 C ATOM 0 H VAL A 120 2.788 -2.705 -10.479 1.00 0.58 H new ATOM 0 HA VAL A 120 4.136 -4.980 -9.343 1.00 0.53 H new ATOM 0 HB VAL A 120 1.316 -3.901 -9.238 1.00 0.61 H new ATOM 0 HG11 VAL A 120 0.845 -5.367 -7.323 1.00 0.81 H new ATOM 0 HG12 VAL A 120 1.109 -6.274 -8.832 1.00 0.81 H new ATOM 0 HG13 VAL A 120 2.390 -6.207 -7.598 1.00 0.81 H new ATOM 0 HG21 VAL A 120 2.036 -3.300 -6.875 1.00 1.14 H new ATOM 0 HG22 VAL A 120 3.636 -4.002 -7.216 1.00 1.14 H new ATOM 0 HG23 VAL A 120 3.095 -2.551 -8.093 1.00 1.14 H new ATOM 1884 N PHE A 121 3.194 -6.972 -10.494 1.00 0.64 N ATOM 1885 CA PHE A 121 2.795 -8.196 -11.180 1.00 0.74 C ATOM 1886 C PHE A 121 2.465 -9.315 -10.178 1.00 1.61 C ATOM 1887 O PHE A 121 2.975 -9.359 -9.055 1.00 1.63 O ATOM 1888 CB PHE A 121 3.890 -8.601 -12.179 1.00 0.83 C ATOM 1889 CG PHE A 121 5.273 -8.782 -11.582 1.00 0.85 C ATOM 1890 CD1 PHE A 121 6.141 -7.677 -11.455 1.00 2.04 C ATOM 1891 CD2 PHE A 121 5.692 -10.057 -11.151 1.00 2.24 C ATOM 1892 CE1 PHE A 121 7.420 -7.853 -10.899 1.00 1.91 C ATOM 1893 CE2 PHE A 121 6.975 -10.228 -10.599 1.00 2.25 C ATOM 1894 CZ PHE A 121 7.836 -9.125 -10.472 1.00 1.10 C ATOM 0 H PHE A 121 3.874 -7.141 -9.753 1.00 0.64 H new ATOM 0 HA PHE A 121 1.878 -8.015 -11.741 1.00 0.74 H new ATOM 0 HB2 PHE A 121 3.594 -9.533 -12.660 1.00 0.83 H new ATOM 0 HB3 PHE A 121 3.945 -7.843 -12.960 1.00 0.83 H new ATOM 0 HD1 PHE A 121 5.824 -6.699 -11.784 1.00 2.04 H new ATOM 0 HD2 PHE A 121 5.028 -10.903 -11.245 1.00 2.24 H new ATOM 0 HE1 PHE A 121 8.085 -7.008 -10.800 1.00 1.91 H new ATOM 0 HE2 PHE A 121 7.298 -11.206 -10.273 1.00 2.25 H new ATOM 0 HZ PHE A 121 8.820 -9.255 -10.045 1.00 1.10 H new ATOM 1904 N TYR A 122 1.552 -10.190 -10.595 1.00 0.81 N ATOM 1905 CA TYR A 122 1.016 -11.312 -9.824 1.00 0.87 C ATOM 1906 C TYR A 122 0.777 -12.509 -10.749 1.00 1.30 C ATOM 1907 O TYR A 122 0.418 -12.328 -11.917 1.00 1.38 O ATOM 1908 CB TYR A 122 -0.255 -10.857 -9.081 1.00 0.87 C ATOM 1909 CG TYR A 122 -1.455 -10.453 -9.927 1.00 0.95 C ATOM 1910 CD1 TYR A 122 -1.473 -9.210 -10.595 1.00 1.68 C ATOM 1911 CD2 TYR A 122 -2.592 -11.284 -9.981 1.00 2.15 C ATOM 1912 CE1 TYR A 122 -2.610 -8.806 -11.318 1.00 1.77 C ATOM 1913 CE2 TYR A 122 -3.743 -10.876 -10.685 1.00 2.32 C ATOM 1914 CZ TYR A 122 -3.754 -9.635 -11.356 1.00 1.50 C ATOM 1915 OH TYR A 122 -4.861 -9.229 -12.034 1.00 1.88 O ATOM 0 H TYR A 122 1.144 -10.133 -11.528 1.00 0.81 H new ATOM 0 HA TYR A 122 1.731 -11.639 -9.069 1.00 0.87 H new ATOM 0 HB2 TYR A 122 -0.566 -11.666 -8.420 1.00 0.87 H new ATOM 0 HB3 TYR A 122 0.010 -10.011 -8.447 1.00 0.87 H new ATOM 0 HD1 TYR A 122 -0.608 -8.565 -10.551 1.00 1.68 H new ATOM 0 HD2 TYR A 122 -2.581 -12.240 -9.479 1.00 2.15 H new ATOM 0 HE1 TYR A 122 -2.609 -7.863 -11.844 1.00 1.77 H new ATOM 0 HE2 TYR A 122 -4.615 -11.512 -10.711 1.00 2.32 H new ATOM 0 HH TYR A 122 -5.558 -9.914 -11.963 1.00 1.88 H new ATOM 1925 N GLN A 123 0.994 -13.733 -10.267 1.00 1.09 N ATOM 1926 CA GLN A 123 1.003 -14.939 -11.100 1.00 1.27 C ATOM 1927 C GLN A 123 0.229 -16.070 -10.416 1.00 1.35 C ATOM 1928 O GLN A 123 0.536 -16.437 -9.288 1.00 1.72 O ATOM 1929 CB GLN A 123 2.455 -15.397 -11.332 1.00 1.66 C ATOM 1930 CG GLN A 123 3.363 -14.362 -12.018 1.00 2.44 C ATOM 1931 CD GLN A 123 4.830 -14.750 -11.869 1.00 3.37 C ATOM 1932 OE1 GLN A 123 5.450 -15.289 -12.772 1.00 3.73 O ATOM 1933 NE2 GLN A 123 5.423 -14.521 -10.717 1.00 4.26 N ATOM 0 H GLN A 123 1.170 -13.918 -9.280 1.00 1.09 H new ATOM 0 HA GLN A 123 0.528 -14.704 -12.052 1.00 1.27 H new ATOM 0 HB2 GLN A 123 2.894 -15.662 -10.370 1.00 1.66 H new ATOM 0 HB3 GLN A 123 2.442 -16.304 -11.937 1.00 1.66 H new ATOM 0 HG2 GLN A 123 3.106 -14.289 -13.075 1.00 2.44 H new ATOM 0 HG3 GLN A 123 3.196 -13.378 -11.581 1.00 2.44 H new ATOM 0 HE21 GLN A 123 4.909 -14.071 -9.959 1.00 4.26 H new ATOM 0 HE22 GLN A 123 6.397 -14.794 -10.581 1.00 4.26 H new ATOM 1942 N LYS A 124 -0.731 -16.692 -11.107 1.00 1.03 N ATOM 1943 CA LYS A 124 -1.416 -17.890 -10.582 1.00 0.97 C ATOM 1944 C LYS A 124 -0.785 -19.149 -11.204 1.00 1.26 C ATOM 1945 O LYS A 124 -0.724 -19.280 -12.426 1.00 1.65 O ATOM 1946 CB LYS A 124 -2.939 -17.781 -10.794 1.00 1.06 C ATOM 1947 CG LYS A 124 -3.492 -16.462 -10.216 1.00 1.98 C ATOM 1948 CD LYS A 124 -4.997 -16.507 -9.917 1.00 2.13 C ATOM 1949 CE LYS A 124 -5.480 -15.124 -9.455 1.00 3.20 C ATOM 1950 NZ LYS A 124 -6.866 -15.171 -8.943 1.00 3.53 N ATOM 0 H LYS A 124 -1.054 -16.392 -12.027 1.00 1.03 H new ATOM 0 HA LYS A 124 -1.279 -17.967 -9.503 1.00 0.97 H new ATOM 0 HB2 LYS A 124 -3.165 -17.837 -11.859 1.00 1.06 H new ATOM 0 HB3 LYS A 124 -3.436 -18.626 -10.318 1.00 1.06 H new ATOM 0 HG2 LYS A 124 -2.954 -16.223 -9.298 1.00 1.98 H new ATOM 0 HG3 LYS A 124 -3.294 -15.655 -10.921 1.00 1.98 H new ATOM 0 HD2 LYS A 124 -5.545 -16.814 -10.808 1.00 2.13 H new ATOM 0 HD3 LYS A 124 -5.201 -17.250 -9.146 1.00 2.13 H new ATOM 0 HE2 LYS A 124 -4.817 -14.749 -8.676 1.00 3.20 H new ATOM 0 HE3 LYS A 124 -5.423 -14.422 -10.287 1.00 3.20 H new ATOM 0 HZ1 LYS A 124 -7.281 -14.218 -8.976 1.00 3.53 H new ATOM 0 HZ2 LYS A 124 -7.432 -15.815 -9.531 1.00 3.53 H new ATOM 0 HZ3 LYS A 124 -6.862 -15.513 -7.961 1.00 3.53 H new ATOM 2120 N VAL A 135 -1.035 -18.691 -5.696 1.00 1.41 N ATOM 2121 CA VAL A 135 -0.986 -17.312 -6.202 1.00 1.28 C ATOM 2122 C VAL A 135 0.267 -16.636 -5.651 1.00 1.48 C ATOM 2123 O VAL A 135 0.512 -16.667 -4.446 1.00 1.54 O ATOM 2124 CB VAL A 135 -2.242 -16.493 -5.804 1.00 1.50 C ATOM 2125 CG1 VAL A 135 -2.200 -15.068 -6.390 1.00 1.88 C ATOM 2126 CG2 VAL A 135 -3.525 -17.200 -6.277 1.00 2.69 C ATOM 0 HA VAL A 135 -0.961 -17.349 -7.291 1.00 1.28 H new ATOM 0 HB VAL A 135 -2.246 -16.421 -4.716 1.00 1.50 H new ATOM 0 HG11 VAL A 135 -3.096 -14.525 -6.090 1.00 1.88 H new ATOM 0 HG12 VAL A 135 -1.318 -14.547 -6.017 1.00 1.88 H new ATOM 0 HG13 VAL A 135 -2.156 -15.123 -7.478 1.00 1.88 H new ATOM 0 HG21 VAL A 135 -4.394 -16.609 -5.988 1.00 2.69 H new ATOM 0 HG22 VAL A 135 -3.503 -17.306 -7.362 1.00 2.69 H new ATOM 0 HG23 VAL A 135 -3.588 -18.186 -5.817 1.00 2.69 H new ATOM 2136 N ASP A 136 1.030 -16.019 -6.545 1.00 1.13 N ATOM 2137 CA ASP A 136 2.132 -15.099 -6.270 1.00 1.22 C ATOM 2138 C ASP A 136 1.632 -13.654 -6.418 1.00 1.45 C ATOM 2139 O ASP A 136 0.852 -13.350 -7.320 1.00 1.73 O ATOM 2140 CB ASP A 136 3.276 -15.400 -7.261 1.00 1.47 C ATOM 2141 CG ASP A 136 4.028 -14.155 -7.749 1.00 3.01 C ATOM 2142 OD1 ASP A 136 3.602 -13.561 -8.772 1.00 3.93 O ATOM 2143 OD2 ASP A 136 5.032 -13.790 -7.106 1.00 4.34 O ATOM 0 H ASP A 136 0.888 -16.155 -7.546 1.00 1.13 H new ATOM 0 HA ASP A 136 2.503 -15.226 -5.253 1.00 1.22 H new ATOM 0 HB2 ASP A 136 3.986 -16.076 -6.785 1.00 1.47 H new ATOM 0 HB3 ASP A 136 2.866 -15.925 -8.124 1.00 1.47 H new ATOM 2148 N HIS A 137 2.112 -12.742 -5.568 1.00 1.14 N ATOM 2149 CA HIS A 137 1.993 -11.307 -5.805 1.00 1.01 C ATOM 2150 C HIS A 137 3.234 -10.522 -5.343 1.00 1.16 C ATOM 2151 O HIS A 137 3.824 -10.786 -4.291 1.00 1.36 O ATOM 2152 CB HIS A 137 0.702 -10.766 -5.169 1.00 1.15 C ATOM 2153 CG HIS A 137 0.623 -10.929 -3.672 1.00 1.56 C ATOM 2154 ND1 HIS A 137 1.038 -10.017 -2.728 1.00 2.54 N ATOM 2155 CD2 HIS A 137 0.155 -12.022 -2.996 1.00 1.87 C ATOM 2156 CE1 HIS A 137 0.852 -10.565 -1.518 1.00 2.81 C ATOM 2157 NE2 HIS A 137 0.305 -11.786 -1.627 1.00 2.33 N ATOM 0 H HIS A 137 2.592 -12.980 -4.700 1.00 1.14 H new ATOM 0 HA HIS A 137 1.934 -11.157 -6.883 1.00 1.01 H new ATOM 0 HB2 HIS A 137 0.609 -9.707 -5.411 1.00 1.15 H new ATOM 0 HB3 HIS A 137 -0.150 -11.272 -5.622 1.00 1.15 H new ATOM 0 HD2 HIS A 137 -0.259 -12.914 -3.443 1.00 1.87 H new ATOM 0 HE1 HIS A 137 1.108 -10.089 -0.583 1.00 2.81 H new ATOM 0 HE2 HIS A 137 0.050 -12.414 -0.865 1.00 2.33 H new ATOM 2166 N THR A 138 3.580 -9.482 -6.111 1.00 0.79 N ATOM 2167 CA THR A 138 4.690 -8.563 -5.833 1.00 0.75 C ATOM 2168 C THR A 138 4.345 -7.653 -4.653 1.00 1.21 C ATOM 2169 O THR A 138 3.780 -6.577 -4.825 1.00 2.02 O ATOM 2170 CB THR A 138 5.036 -7.815 -7.125 1.00 0.79 C ATOM 2171 OG1 THR A 138 5.579 -8.763 -8.001 1.00 1.58 O ATOM 2172 CG2 THR A 138 6.083 -6.717 -6.983 1.00 0.97 C ATOM 0 H THR A 138 3.080 -9.250 -6.969 1.00 0.79 H new ATOM 0 HA THR A 138 5.585 -9.104 -5.524 1.00 0.75 H new ATOM 0 HB THR A 138 4.117 -7.334 -7.461 1.00 0.79 H new ATOM 0 HG1 THR A 138 4.863 -9.154 -8.544 1.00 1.58 H new ATOM 0 HG21 THR A 138 6.255 -6.251 -7.953 1.00 0.97 H new ATOM 0 HG22 THR A 138 5.729 -5.966 -6.277 1.00 0.97 H new ATOM 0 HG23 THR A 138 7.015 -7.148 -6.617 1.00 0.97 H new ATOM 2180 N ALA A 139 4.690 -8.091 -3.437 1.00 0.68 N ATOM 2181 CA ALA A 139 4.429 -7.418 -2.148 1.00 0.81 C ATOM 2182 C ALA A 139 5.262 -6.129 -1.913 1.00 0.94 C ATOM 2183 O ALA A 139 6.026 -5.994 -0.952 1.00 1.35 O ATOM 2184 CB ALA A 139 4.600 -8.463 -1.034 1.00 1.06 C ATOM 0 H ALA A 139 5.187 -8.973 -3.313 1.00 0.68 H new ATOM 0 HA ALA A 139 3.407 -7.040 -2.153 1.00 0.81 H new ATOM 0 HB1 ALA A 139 4.414 -7.997 -0.066 1.00 1.06 H new ATOM 0 HB2 ALA A 139 3.892 -9.277 -1.187 1.00 1.06 H new ATOM 0 HB3 ALA A 139 5.616 -8.857 -1.057 1.00 1.06 H new ATOM 2190 N THR A 140 5.121 -5.180 -2.839 1.00 0.71 N ATOM 2191 CA THR A 140 5.845 -3.902 -2.883 1.00 0.77 C ATOM 2192 C THR A 140 4.959 -2.805 -2.299 1.00 0.81 C ATOM 2193 O THR A 140 3.728 -2.871 -2.392 1.00 1.04 O ATOM 2194 CB THR A 140 6.304 -3.600 -4.316 1.00 0.84 C ATOM 2195 OG1 THR A 140 7.118 -4.676 -4.710 1.00 1.14 O ATOM 2196 CG2 THR A 140 7.171 -2.351 -4.464 1.00 0.96 C ATOM 0 H THR A 140 4.469 -5.283 -3.617 1.00 0.71 H new ATOM 0 HA THR A 140 6.748 -3.955 -2.275 1.00 0.77 H new ATOM 0 HB THR A 140 5.402 -3.446 -4.908 1.00 0.84 H new ATOM 0 HG1 THR A 140 7.436 -4.528 -5.625 1.00 1.14 H new ATOM 0 HG21 THR A 140 7.446 -2.221 -5.511 1.00 0.96 H new ATOM 0 HG22 THR A 140 6.613 -1.479 -4.124 1.00 0.96 H new ATOM 0 HG23 THR A 140 8.074 -2.461 -3.863 1.00 0.96 H new ATOM 2204 N THR A 141 5.598 -1.813 -1.679 1.00 0.74 N ATOM 2205 CA THR A 141 4.960 -0.658 -1.055 1.00 0.65 C ATOM 2206 C THR A 141 5.417 0.598 -1.784 1.00 0.97 C ATOM 2207 O THR A 141 6.613 0.818 -1.963 1.00 1.02 O ATOM 2208 CB THR A 141 5.313 -0.557 0.434 1.00 0.67 C ATOM 2209 OG1 THR A 141 5.362 -1.823 1.048 1.00 1.04 O ATOM 2210 CG2 THR A 141 4.276 0.274 1.175 1.00 1.05 C ATOM 0 H THR A 141 6.614 -1.793 -1.595 1.00 0.74 H new ATOM 0 HA THR A 141 3.878 -0.769 -1.127 1.00 0.65 H new ATOM 0 HB THR A 141 6.295 -0.088 0.488 1.00 0.67 H new ATOM 0 HG1 THR A 141 4.491 -2.263 0.960 1.00 1.04 H new ATOM 0 HG21 THR A 141 4.544 0.334 2.230 1.00 1.05 H new ATOM 0 HG22 THR A 141 4.244 1.278 0.751 1.00 1.05 H new ATOM 0 HG23 THR A 141 3.296 -0.194 1.076 1.00 1.05 H new ATOM 2218 N PHE A 142 4.465 1.427 -2.196 1.00 0.69 N ATOM 2219 CA PHE A 142 4.701 2.602 -3.028 1.00 0.70 C ATOM 2220 C PHE A 142 4.371 3.880 -2.250 1.00 1.82 C ATOM 2221 O PHE A 142 3.261 4.015 -1.733 1.00 2.16 O ATOM 2222 CB PHE A 142 3.845 2.454 -4.298 1.00 0.72 C ATOM 2223 CG PHE A 142 4.198 1.229 -5.123 1.00 0.86 C ATOM 2224 CD1 PHE A 142 3.602 -0.013 -4.833 1.00 1.98 C ATOM 2225 CD2 PHE A 142 5.162 1.312 -6.146 1.00 2.28 C ATOM 2226 CE1 PHE A 142 3.976 -1.160 -5.550 1.00 1.80 C ATOM 2227 CE2 PHE A 142 5.523 0.166 -6.875 1.00 2.33 C ATOM 2228 CZ PHE A 142 4.935 -1.071 -6.574 1.00 0.96 C ATOM 0 H PHE A 142 3.482 1.298 -1.955 1.00 0.69 H new ATOM 0 HA PHE A 142 5.751 2.678 -3.312 1.00 0.70 H new ATOM 0 HB2 PHE A 142 2.794 2.402 -4.015 1.00 0.72 H new ATOM 0 HB3 PHE A 142 3.965 3.345 -4.914 1.00 0.72 H new ATOM 0 HD1 PHE A 142 2.855 -0.083 -4.056 1.00 1.98 H new ATOM 0 HD2 PHE A 142 5.626 2.261 -6.371 1.00 2.28 H new ATOM 0 HE1 PHE A 142 3.526 -2.113 -5.315 1.00 1.80 H new ATOM 0 HE2 PHE A 142 6.253 0.238 -7.667 1.00 2.33 H new ATOM 0 HZ PHE A 142 5.218 -1.954 -7.128 1.00 0.96 H new ATOM 2238 N VAL A 143 5.321 4.821 -2.175 1.00 0.58 N ATOM 2239 CA VAL A 143 5.139 6.105 -1.467 1.00 0.57 C ATOM 2240 C VAL A 143 4.961 7.213 -2.498 1.00 0.85 C ATOM 2241 O VAL A 143 5.856 7.463 -3.314 1.00 1.02 O ATOM 2242 CB VAL A 143 6.325 6.442 -0.537 1.00 0.59 C ATOM 2243 CG1 VAL A 143 6.140 7.809 0.146 1.00 0.79 C ATOM 2244 CG2 VAL A 143 6.461 5.378 0.554 1.00 0.88 C ATOM 0 H VAL A 143 6.241 4.718 -2.603 1.00 0.58 H new ATOM 0 HA VAL A 143 4.255 6.018 -0.835 1.00 0.57 H new ATOM 0 HB VAL A 143 7.220 6.471 -1.158 1.00 0.59 H new ATOM 0 HG11 VAL A 143 6.994 8.011 0.792 1.00 0.79 H new ATOM 0 HG12 VAL A 143 6.067 8.588 -0.613 1.00 0.79 H new ATOM 0 HG13 VAL A 143 5.228 7.797 0.743 1.00 0.79 H new ATOM 0 HG21 VAL A 143 7.301 5.627 1.203 1.00 0.88 H new ATOM 0 HG22 VAL A 143 5.545 5.342 1.144 1.00 0.88 H new ATOM 0 HG23 VAL A 143 6.634 4.405 0.094 1.00 0.88 H new ATOM 2254 N VAL A 144 3.804 7.876 -2.435 1.00 0.63 N ATOM 2255 CA VAL A 144 3.463 9.011 -3.312 1.00 0.74 C ATOM 2256 C VAL A 144 3.165 10.304 -2.549 1.00 1.11 C ATOM 2257 O VAL A 144 2.628 10.285 -1.439 1.00 1.09 O ATOM 2258 CB VAL A 144 2.289 8.723 -4.281 1.00 0.95 C ATOM 2259 CG1 VAL A 144 2.510 7.444 -5.100 1.00 1.99 C ATOM 2260 CG2 VAL A 144 0.913 8.658 -3.604 1.00 2.14 C ATOM 0 H VAL A 144 3.067 7.642 -1.770 1.00 0.63 H new ATOM 0 HA VAL A 144 4.370 9.151 -3.900 1.00 0.74 H new ATOM 0 HB VAL A 144 2.282 9.586 -4.947 1.00 0.95 H new ATOM 0 HG11 VAL A 144 1.660 7.286 -5.764 1.00 1.99 H new ATOM 0 HG12 VAL A 144 3.419 7.544 -5.692 1.00 1.99 H new ATOM 0 HG13 VAL A 144 2.608 6.593 -4.426 1.00 1.99 H new ATOM 0 HG21 VAL A 144 0.148 8.453 -4.353 1.00 2.14 H new ATOM 0 HG22 VAL A 144 0.912 7.864 -2.857 1.00 2.14 H new ATOM 0 HG23 VAL A 144 0.700 9.611 -3.120 1.00 2.14 H new ATOM 2270 N LYS A 145 3.443 11.413 -3.238 1.00 0.84 N ATOM 2271 CA LYS A 145 3.042 12.794 -2.931 1.00 0.96 C ATOM 2272 C LYS A 145 2.680 13.498 -4.254 1.00 1.20 C ATOM 2273 O LYS A 145 3.324 13.218 -5.262 1.00 1.39 O ATOM 2274 CB LYS A 145 4.219 13.502 -2.240 1.00 1.16 C ATOM 2275 CG LYS A 145 3.821 14.818 -1.552 1.00 1.31 C ATOM 2276 CD LYS A 145 5.069 15.657 -1.243 1.00 1.97 C ATOM 2277 CE LYS A 145 4.758 16.764 -0.229 1.00 1.86 C ATOM 2278 NZ LYS A 145 5.976 17.537 0.105 1.00 2.31 N ATOM 0 H LYS A 145 3.998 11.369 -4.093 1.00 0.84 H new ATOM 0 HA LYS A 145 2.178 12.818 -2.267 1.00 0.96 H new ATOM 0 HB2 LYS A 145 4.653 12.830 -1.499 1.00 1.16 H new ATOM 0 HB3 LYS A 145 4.994 13.707 -2.978 1.00 1.16 H new ATOM 0 HG2 LYS A 145 3.145 15.382 -2.195 1.00 1.31 H new ATOM 0 HG3 LYS A 145 3.280 14.605 -0.630 1.00 1.31 H new ATOM 0 HD2 LYS A 145 5.856 15.012 -0.851 1.00 1.97 H new ATOM 0 HD3 LYS A 145 5.449 16.100 -2.163 1.00 1.97 H new ATOM 0 HE2 LYS A 145 3.999 17.432 -0.636 1.00 1.86 H new ATOM 0 HE3 LYS A 145 4.342 16.325 0.678 1.00 1.86 H new ATOM 0 HZ1 LYS A 145 5.726 18.322 0.740 1.00 2.31 H new ATOM 0 HZ2 LYS A 145 6.663 16.915 0.577 1.00 2.31 H new ATOM 0 HZ3 LYS A 145 6.395 17.918 -0.767 1.00 2.31 H new ATOM 2292 N GLU A 146 1.633 14.322 -4.306 1.00 1.08 N ATOM 2293 CA GLU A 146 1.156 15.078 -5.495 1.00 1.25 C ATOM 2294 C GLU A 146 0.459 14.199 -6.566 1.00 1.51 C ATOM 2295 O GLU A 146 -0.024 14.706 -7.579 1.00 1.97 O ATOM 2296 CB GLU A 146 2.278 15.911 -6.153 1.00 1.57 C ATOM 2297 CG GLU A 146 3.007 16.886 -5.210 1.00 1.49 C ATOM 2298 CD GLU A 146 4.344 17.329 -5.804 1.00 1.79 C ATOM 2299 OE1 GLU A 146 4.393 17.578 -7.030 1.00 2.63 O ATOM 2300 OE2 GLU A 146 5.343 17.350 -5.052 1.00 2.03 O ATOM 0 H GLU A 146 1.056 14.499 -3.484 1.00 1.08 H new ATOM 0 HA GLU A 146 0.401 15.755 -5.094 1.00 1.25 H new ATOM 0 HB2 GLU A 146 3.012 15.229 -6.582 1.00 1.57 H new ATOM 0 HB3 GLU A 146 1.850 16.480 -6.979 1.00 1.57 H new ATOM 0 HG2 GLU A 146 2.379 17.758 -5.028 1.00 1.49 H new ATOM 0 HG3 GLU A 146 3.175 16.407 -4.245 1.00 1.49 H new ATOM 2307 N GLY A 147 0.416 12.870 -6.391 1.00 1.03 N ATOM 2308 CA GLY A 147 0.115 11.917 -7.470 1.00 1.08 C ATOM 2309 C GLY A 147 1.358 11.484 -8.250 1.00 1.04 C ATOM 2310 O GLY A 147 1.260 11.134 -9.427 1.00 1.16 O ATOM 0 H GLY A 147 0.590 12.423 -5.491 1.00 1.03 H new ATOM 0 HA2 GLY A 147 -0.366 11.036 -7.045 1.00 1.08 H new ATOM 0 HA3 GLY A 147 -0.599 12.369 -8.158 1.00 1.08 H new ATOM 2314 N ARG A 148 2.536 11.488 -7.618 1.00 0.84 N ATOM 2315 CA ARG A 148 3.770 10.956 -8.198 1.00 0.79 C ATOM 2316 C ARG A 148 4.588 10.165 -7.185 1.00 1.09 C ATOM 2317 O ARG A 148 4.618 10.450 -5.992 1.00 1.29 O ATOM 2318 CB ARG A 148 4.619 12.036 -8.886 1.00 0.93 C ATOM 2319 CG ARG A 148 4.544 13.436 -8.274 1.00 1.32 C ATOM 2320 CD ARG A 148 5.589 14.330 -8.926 1.00 1.44 C ATOM 2321 NE ARG A 148 5.181 15.742 -8.930 1.00 1.83 N ATOM 2322 CZ ARG A 148 5.187 16.605 -9.933 1.00 2.88 C ATOM 2323 NH1 ARG A 148 5.651 16.310 -11.131 1.00 4.00 N ATOM 2324 NH2 ARG A 148 4.718 17.808 -9.701 1.00 3.14 N ATOM 0 H ARG A 148 2.659 11.865 -6.678 1.00 0.84 H new ATOM 0 HA ARG A 148 3.457 10.261 -8.977 1.00 0.79 H new ATOM 0 HB2 ARG A 148 5.660 11.712 -8.878 1.00 0.93 H new ATOM 0 HB3 ARG A 148 4.313 12.100 -9.930 1.00 0.93 H new ATOM 0 HG2 ARG A 148 3.549 13.856 -8.420 1.00 1.32 H new ATOM 0 HG3 ARG A 148 4.714 13.384 -7.199 1.00 1.32 H new ATOM 0 HD2 ARG A 148 6.536 14.228 -8.395 1.00 1.44 H new ATOM 0 HD3 ARG A 148 5.761 13.999 -9.950 1.00 1.44 H new ATOM 0 HE ARG A 148 4.848 16.106 -8.038 1.00 1.83 H new ATOM 0 HH11 ARG A 148 6.028 15.381 -11.317 1.00 4.00 H new ATOM 0 HH12 ARG A 148 5.633 17.011 -11.872 1.00 4.00 H new ATOM 0 HH21 ARG A 148 4.366 18.048 -8.774 1.00 3.14 H new ATOM 0 HH22 ARG A 148 4.705 18.503 -10.447 1.00 3.14 H new ATOM 2338 N LEU A 149 5.244 9.127 -7.691 1.00 0.69 N ATOM 2339 CA LEU A 149 6.026 8.164 -6.934 1.00 0.65 C ATOM 2340 C LEU A 149 7.382 8.778 -6.598 1.00 1.02 C ATOM 2341 O LEU A 149 8.187 9.018 -7.490 1.00 1.30 O ATOM 2342 CB LEU A 149 6.167 6.875 -7.765 1.00 0.67 C ATOM 2343 CG LEU A 149 6.868 5.730 -7.008 1.00 1.24 C ATOM 2344 CD1 LEU A 149 5.950 5.119 -5.942 1.00 1.56 C ATOM 2345 CD2 LEU A 149 7.282 4.632 -7.991 1.00 2.32 C ATOM 0 H LEU A 149 5.243 8.927 -8.691 1.00 0.69 H new ATOM 0 HA LEU A 149 5.533 7.909 -5.996 1.00 0.65 H new ATOM 0 HB2 LEU A 149 5.177 6.542 -8.076 1.00 0.67 H new ATOM 0 HB3 LEU A 149 6.728 7.097 -8.673 1.00 0.67 H new ATOM 0 HG LEU A 149 7.746 6.148 -6.516 1.00 1.24 H new ATOM 0 HD11 LEU A 149 6.475 4.315 -5.427 1.00 1.56 H new ATOM 0 HD12 LEU A 149 5.667 5.887 -5.222 1.00 1.56 H new ATOM 0 HD13 LEU A 149 5.054 4.721 -6.418 1.00 1.56 H new ATOM 0 HD21 LEU A 149 7.777 3.826 -7.449 1.00 2.32 H new ATOM 0 HD22 LEU A 149 6.397 4.241 -8.494 1.00 2.32 H new ATOM 0 HD23 LEU A 149 7.967 5.046 -8.731 1.00 2.32 H new ATOM 2357 N VAL A 150 7.612 9.007 -5.310 1.00 0.71 N ATOM 2358 CA VAL A 150 8.858 9.577 -4.767 1.00 0.77 C ATOM 2359 C VAL A 150 9.735 8.525 -4.070 1.00 1.01 C ATOM 2360 O VAL A 150 10.930 8.762 -3.882 1.00 1.18 O ATOM 2361 CB VAL A 150 8.557 10.753 -3.805 1.00 0.90 C ATOM 2362 CG1 VAL A 150 8.008 11.967 -4.569 1.00 1.71 C ATOM 2363 CG2 VAL A 150 7.555 10.370 -2.700 1.00 1.10 C ATOM 0 H VAL A 150 6.923 8.798 -4.587 1.00 0.71 H new ATOM 0 HA VAL A 150 9.424 9.953 -5.619 1.00 0.77 H new ATOM 0 HB VAL A 150 9.508 11.007 -3.336 1.00 0.90 H new ATOM 0 HG11 VAL A 150 7.806 12.777 -3.868 1.00 1.71 H new ATOM 0 HG12 VAL A 150 8.743 12.297 -5.303 1.00 1.71 H new ATOM 0 HG13 VAL A 150 7.085 11.689 -5.079 1.00 1.71 H new ATOM 0 HG21 VAL A 150 7.380 11.230 -2.054 1.00 1.10 H new ATOM 0 HG22 VAL A 150 6.614 10.059 -3.154 1.00 1.10 H new ATOM 0 HG23 VAL A 150 7.961 9.549 -2.109 1.00 1.10 H new ATOM 2373 N LEU A 151 9.173 7.353 -3.713 1.00 0.63 N ATOM 2374 CA LEU A 151 9.875 6.323 -2.938 1.00 0.60 C ATOM 2375 C LEU A 151 9.263 4.923 -3.097 1.00 1.10 C ATOM 2376 O LEU A 151 8.036 4.767 -3.155 1.00 1.25 O ATOM 2377 CB LEU A 151 9.934 6.761 -1.453 1.00 0.61 C ATOM 2378 CG LEU A 151 11.372 7.000 -0.972 1.00 0.81 C ATOM 2379 CD1 LEU A 151 11.424 7.947 0.219 1.00 0.89 C ATOM 2380 CD2 LEU A 151 12.050 5.683 -0.592 1.00 0.87 C ATOM 0 H LEU A 151 8.216 7.098 -3.957 1.00 0.63 H new ATOM 0 HA LEU A 151 10.887 6.235 -3.333 1.00 0.60 H new ATOM 0 HB2 LEU A 151 9.353 7.674 -1.323 1.00 0.61 H new ATOM 0 HB3 LEU A 151 9.468 5.996 -0.832 1.00 0.61 H new ATOM 0 HG LEU A 151 11.905 7.458 -1.805 1.00 0.81 H new ATOM 0 HD11 LEU A 151 12.460 8.088 0.527 1.00 0.89 H new ATOM 0 HD12 LEU A 151 10.995 8.909 -0.062 1.00 0.89 H new ATOM 0 HD13 LEU A 151 10.854 7.523 1.046 1.00 0.89 H new ATOM 0 HD21 LEU A 151 13.067 5.882 -0.255 1.00 0.87 H new ATOM 0 HD22 LEU A 151 11.489 5.203 0.210 1.00 0.87 H new ATOM 0 HD23 LEU A 151 12.077 5.024 -1.460 1.00 0.87 H new ATOM 2392 N LEU A 152 10.133 3.908 -3.116 1.00 0.62 N ATOM 2393 CA LEU A 152 9.781 2.485 -3.087 1.00 0.60 C ATOM 2394 C LEU A 152 10.213 1.813 -1.780 1.00 1.06 C ATOM 2395 O LEU A 152 11.212 2.183 -1.159 1.00 1.14 O ATOM 2396 CB LEU A 152 10.444 1.759 -4.272 1.00 0.65 C ATOM 2397 CG LEU A 152 9.865 2.109 -5.653 1.00 0.73 C ATOM 2398 CD1 LEU A 152 10.773 1.537 -6.751 1.00 0.90 C ATOM 2399 CD2 LEU A 152 8.452 1.532 -5.800 1.00 0.88 C ATOM 0 H LEU A 152 11.141 4.061 -3.153 1.00 0.62 H new ATOM 0 HA LEU A 152 8.696 2.416 -3.160 1.00 0.60 H new ATOM 0 HB2 LEU A 152 11.509 1.991 -4.271 1.00 0.65 H new ATOM 0 HB3 LEU A 152 10.352 0.684 -4.118 1.00 0.65 H new ATOM 0 HG LEU A 152 9.813 3.193 -5.750 1.00 0.73 H new ATOM 0 HD11 LEU A 152 10.362 1.786 -7.729 1.00 0.90 H new ATOM 0 HD12 LEU A 152 11.771 1.965 -6.657 1.00 0.90 H new ATOM 0 HD13 LEU A 152 10.832 0.454 -6.647 1.00 0.90 H new ATOM 0 HD21 LEU A 152 8.055 1.788 -6.782 1.00 0.88 H new ATOM 0 HD22 LEU A 152 8.489 0.448 -5.695 1.00 0.88 H new ATOM 0 HD23 LEU A 152 7.806 1.950 -5.028 1.00 0.88 H new ATOM 2411 N TYR A 153 9.453 0.779 -1.419 1.00 0.64 N ATOM 2412 CA TYR A 153 9.551 -0.028 -0.200 1.00 0.63 C ATOM 2413 C TYR A 153 8.988 -1.453 -0.440 1.00 1.18 C ATOM 2414 O TYR A 153 8.424 -1.768 -1.483 1.00 1.63 O ATOM 2415 CB TYR A 153 8.807 0.703 0.944 1.00 0.76 C ATOM 2416 CG TYR A 153 9.686 1.448 1.933 1.00 0.81 C ATOM 2417 CD1 TYR A 153 10.043 2.794 1.729 1.00 2.06 C ATOM 2418 CD2 TYR A 153 10.108 0.787 3.102 1.00 1.80 C ATOM 2419 CE1 TYR A 153 10.843 3.467 2.676 1.00 2.18 C ATOM 2420 CE2 TYR A 153 10.923 1.445 4.043 1.00 2.13 C ATOM 2421 CZ TYR A 153 11.301 2.786 3.824 1.00 1.54 C ATOM 2422 OH TYR A 153 12.114 3.409 4.721 1.00 2.10 O ATOM 0 H TYR A 153 8.692 0.458 -2.018 1.00 0.64 H new ATOM 0 HA TYR A 153 10.596 -0.148 0.084 1.00 0.63 H new ATOM 0 HB2 TYR A 153 8.107 1.413 0.502 1.00 0.76 H new ATOM 0 HB3 TYR A 153 8.214 -0.029 1.493 1.00 0.76 H new ATOM 0 HD1 TYR A 153 9.703 3.313 0.845 1.00 2.06 H new ATOM 0 HD2 TYR A 153 9.804 -0.234 3.279 1.00 1.80 H new ATOM 0 HE1 TYR A 153 11.105 4.503 2.522 1.00 2.18 H new ATOM 0 HE2 TYR A 153 11.257 0.925 4.929 1.00 2.13 H new ATOM 0 HH TYR A 153 12.695 4.043 4.251 1.00 2.10 H new ATOM 2432 N SER A 154 9.131 -2.331 0.545 1.00 1.31 N ATOM 2433 CA SER A 154 8.758 -3.758 0.567 1.00 1.37 C ATOM 2434 C SER A 154 8.806 -4.218 2.043 1.00 1.22 C ATOM 2435 O SER A 154 9.320 -3.441 2.854 1.00 1.23 O ATOM 2436 CB SER A 154 9.759 -4.544 -0.299 1.00 1.69 C ATOM 2437 OG SER A 154 11.072 -4.388 0.209 1.00 1.68 O ATOM 0 H SER A 154 9.547 -2.047 1.432 1.00 1.31 H new ATOM 0 HA SER A 154 7.760 -3.928 0.164 1.00 1.37 H new ATOM 0 HB2 SER A 154 9.489 -5.600 -0.312 1.00 1.69 H new ATOM 0 HB3 SER A 154 9.715 -4.191 -1.329 1.00 1.69 H new ATOM 0 HG SER A 154 11.519 -5.260 0.232 1.00 1.68 H new ATOM 2443 N PRO A 155 8.320 -5.408 2.466 1.00 0.89 N ATOM 2444 CA PRO A 155 8.331 -5.794 3.884 1.00 0.98 C ATOM 2445 C PRO A 155 9.751 -5.849 4.473 1.00 1.13 C ATOM 2446 O PRO A 155 10.000 -5.258 5.519 1.00 1.19 O ATOM 2447 CB PRO A 155 7.595 -7.138 3.967 1.00 1.27 C ATOM 2448 CG PRO A 155 7.660 -7.685 2.544 1.00 1.13 C ATOM 2449 CD PRO A 155 7.628 -6.421 1.688 1.00 1.17 C ATOM 0 HA PRO A 155 7.827 -5.044 4.494 1.00 0.98 H new ATOM 0 HB2 PRO A 155 8.075 -7.813 4.676 1.00 1.27 H new ATOM 0 HB3 PRO A 155 6.565 -7.009 4.298 1.00 1.27 H new ATOM 0 HG2 PRO A 155 8.568 -8.264 2.375 1.00 1.13 H new ATOM 0 HG3 PRO A 155 6.818 -8.342 2.325 1.00 1.13 H new ATOM 0 HD2 PRO A 155 8.120 -6.584 0.729 1.00 1.17 H new ATOM 0 HD3 PRO A 155 6.603 -6.119 1.473 1.00 1.17 H new ATOM 2457 N ASP A 156 10.721 -6.432 3.765 1.00 0.84 N ATOM 2458 CA ASP A 156 12.143 -6.478 4.158 1.00 1.14 C ATOM 2459 C ASP A 156 12.817 -5.091 4.334 1.00 1.30 C ATOM 2460 O ASP A 156 13.957 -4.978 4.797 1.00 1.84 O ATOM 2461 CB ASP A 156 12.882 -7.320 3.107 1.00 1.41 C ATOM 2462 CG ASP A 156 12.857 -6.636 1.740 1.00 1.77 C ATOM 2463 OD1 ASP A 156 11.833 -6.757 1.026 1.00 2.63 O ATOM 2464 OD2 ASP A 156 13.829 -5.902 1.445 1.00 2.20 O ATOM 0 H ASP A 156 10.540 -6.900 2.877 1.00 0.84 H new ATOM 0 HA ASP A 156 12.200 -6.925 5.151 1.00 1.14 H new ATOM 0 HB2 ASP A 156 13.914 -7.476 3.421 1.00 1.41 H new ATOM 0 HB3 ASP A 156 12.419 -8.304 3.034 1.00 1.41 H new ATOM 2469 N LYS A 157 12.108 -4.020 3.957 1.00 0.93 N ATOM 2470 CA LYS A 157 12.392 -2.635 4.325 1.00 0.92 C ATOM 2471 C LYS A 157 11.402 -2.101 5.388 1.00 1.14 C ATOM 2472 O LYS A 157 11.842 -1.543 6.388 1.00 1.25 O ATOM 2473 CB LYS A 157 12.365 -1.752 3.062 1.00 1.03 C ATOM 2474 CG LYS A 157 13.331 -2.100 1.915 1.00 1.52 C ATOM 2475 CD LYS A 157 14.813 -1.788 2.185 1.00 1.83 C ATOM 2476 CE LYS A 157 15.552 -2.837 3.024 1.00 2.13 C ATOM 2477 NZ LYS A 157 15.601 -4.159 2.356 1.00 2.83 N ATOM 0 H LYS A 157 11.285 -4.103 3.361 1.00 0.93 H new ATOM 0 HA LYS A 157 13.385 -2.600 4.773 1.00 0.92 H new ATOM 0 HB2 LYS A 157 11.351 -1.772 2.662 1.00 1.03 H new ATOM 0 HB3 LYS A 157 12.566 -0.725 3.368 1.00 1.03 H new ATOM 0 HG2 LYS A 157 13.235 -3.163 1.692 1.00 1.52 H new ATOM 0 HG3 LYS A 157 13.019 -1.557 1.023 1.00 1.52 H new ATOM 0 HD2 LYS A 157 15.326 -1.681 1.229 1.00 1.83 H new ATOM 0 HD3 LYS A 157 14.880 -0.826 2.692 1.00 1.83 H new ATOM 0 HE2 LYS A 157 16.568 -2.493 3.219 1.00 2.13 H new ATOM 0 HE3 LYS A 157 15.059 -2.939 3.991 1.00 2.13 H new ATOM 0 HZ1 LYS A 157 16.287 -4.769 2.844 1.00 2.83 H new ATOM 0 HZ2 LYS A 157 14.660 -4.600 2.390 1.00 2.83 H new ATOM 0 HZ3 LYS A 157 15.891 -4.037 1.365 1.00 2.83 H new ATOM 2491 N ALA A 158 10.090 -2.235 5.175 1.00 0.70 N ATOM 2492 CA ALA A 158 9.014 -1.543 5.893 1.00 0.72 C ATOM 2493 C ALA A 158 8.760 -2.062 7.314 1.00 0.97 C ATOM 2494 O ALA A 158 8.369 -1.271 8.170 1.00 1.02 O ATOM 2495 CB ALA A 158 7.738 -1.650 5.047 1.00 0.78 C ATOM 0 H ALA A 158 9.729 -2.864 4.457 1.00 0.70 H new ATOM 0 HA ALA A 158 9.324 -0.507 6.028 1.00 0.72 H new ATOM 0 HB1 ALA A 158 6.919 -1.143 5.558 1.00 0.78 H new ATOM 0 HB2 ALA A 158 7.905 -1.183 4.076 1.00 0.78 H new ATOM 0 HB3 ALA A 158 7.482 -2.700 4.905 1.00 0.78 H new ATOM 2501 N GLU A 159 9.031 -3.345 7.579 1.00 0.66 N ATOM 2502 CA GLU A 159 8.928 -3.946 8.919 1.00 0.70 C ATOM 2503 C GLU A 159 9.832 -3.196 9.933 1.00 1.07 C ATOM 2504 O GLU A 159 9.509 -3.080 11.114 1.00 1.28 O ATOM 2505 CB GLU A 159 9.269 -5.450 8.838 1.00 0.82 C ATOM 2506 CG GLU A 159 8.352 -6.296 7.918 1.00 1.14 C ATOM 2507 CD GLU A 159 6.967 -6.631 8.462 1.00 1.90 C ATOM 2508 OE1 GLU A 159 6.575 -6.069 9.501 1.00 2.97 O ATOM 2509 OE2 GLU A 159 6.257 -7.414 7.792 1.00 2.94 O ATOM 0 H GLU A 159 9.332 -4.005 6.862 1.00 0.66 H new ATOM 0 HA GLU A 159 7.905 -3.849 9.281 1.00 0.70 H new ATOM 0 HB2 GLU A 159 10.297 -5.553 8.490 1.00 0.82 H new ATOM 0 HB3 GLU A 159 9.229 -5.868 9.844 1.00 0.82 H new ATOM 0 HG2 GLU A 159 8.229 -5.763 6.975 1.00 1.14 H new ATOM 0 HG3 GLU A 159 8.865 -7.231 7.691 1.00 1.14 H new ATOM 2516 N ALA A 160 10.921 -2.572 9.461 1.00 0.78 N ATOM 2517 CA ALA A 160 11.715 -1.595 10.209 1.00 0.80 C ATOM 2518 C ALA A 160 11.075 -0.185 10.176 1.00 1.06 C ATOM 2519 O ALA A 160 11.686 0.766 9.667 1.00 1.10 O ATOM 2520 CB ALA A 160 13.156 -1.629 9.672 1.00 0.92 C ATOM 0 H ALA A 160 11.281 -2.740 8.522 1.00 0.78 H new ATOM 0 HA ALA A 160 11.737 -1.860 11.266 1.00 0.80 H new ATOM 0 HB1 ALA A 160 13.764 -0.907 10.217 1.00 0.92 H new ATOM 0 HB2 ALA A 160 13.571 -2.628 9.806 1.00 0.92 H new ATOM 0 HB3 ALA A 160 13.155 -1.376 8.612 1.00 0.92 H new ATOM 2526 N THR A 161 9.860 -0.073 10.751 1.00 1.06 N ATOM 2527 CA THR A 161 8.956 1.106 10.836 1.00 1.31 C ATOM 2528 C THR A 161 9.662 2.453 10.794 1.00 1.57 C ATOM 2529 O THR A 161 9.286 3.378 10.074 1.00 1.76 O ATOM 2530 CB THR A 161 8.260 1.042 12.203 1.00 1.36 C ATOM 2531 OG1 THR A 161 7.460 -0.106 12.307 1.00 1.27 O ATOM 2532 CG2 THR A 161 7.392 2.258 12.538 1.00 1.60 C ATOM 0 H THR A 161 9.442 -0.880 11.214 1.00 1.06 H new ATOM 0 HA THR A 161 8.293 1.051 9.972 1.00 1.31 H new ATOM 0 HB THR A 161 9.081 1.021 12.920 1.00 1.36 H new ATOM 0 HG1 THR A 161 6.538 0.114 12.057 1.00 1.27 H new ATOM 0 HG21 THR A 161 6.941 2.124 13.521 1.00 1.60 H new ATOM 0 HG22 THR A 161 8.010 3.156 12.542 1.00 1.60 H new ATOM 0 HG23 THR A 161 6.606 2.361 11.790 1.00 1.60 H new ATOM 2540 N ASP A 162 10.654 2.590 11.653 1.00 1.43 N ATOM 2541 CA ASP A 162 11.229 3.853 12.078 1.00 1.34 C ATOM 2542 C ASP A 162 12.013 4.492 10.920 1.00 1.64 C ATOM 2543 O ASP A 162 12.093 5.713 10.808 1.00 1.67 O ATOM 2544 CB ASP A 162 12.047 3.551 13.346 1.00 1.39 C ATOM 2545 CG ASP A 162 11.250 2.642 14.308 1.00 1.89 C ATOM 2546 OD1 ASP A 162 11.308 1.402 14.115 1.00 3.11 O ATOM 2547 OD2 ASP A 162 10.485 3.159 15.152 1.00 2.44 O ATOM 0 H ASP A 162 11.102 1.787 12.094 1.00 1.43 H new ATOM 0 HA ASP A 162 10.483 4.605 12.335 1.00 1.34 H new ATOM 0 HB2 ASP A 162 12.984 3.066 13.073 1.00 1.39 H new ATOM 0 HB3 ASP A 162 12.305 4.483 13.849 1.00 1.39 H new ATOM 2552 N ARG A 163 12.479 3.667 9.971 1.00 1.37 N ATOM 2553 CA ARG A 163 12.961 4.104 8.668 1.00 1.39 C ATOM 2554 C ARG A 163 11.851 4.581 7.716 1.00 1.58 C ATOM 2555 O ARG A 163 12.080 5.543 6.996 1.00 1.88 O ATOM 2556 CB ARG A 163 13.751 2.968 8.034 1.00 1.37 C ATOM 2557 CG ARG A 163 15.171 2.821 8.594 1.00 1.76 C ATOM 2558 CD ARG A 163 15.282 2.384 10.064 1.00 1.46 C ATOM 2559 NE ARG A 163 16.673 2.040 10.444 1.00 1.52 N ATOM 2560 CZ ARG A 163 17.394 1.007 10.005 1.00 2.83 C ATOM 2561 NH1 ARG A 163 16.913 0.140 9.133 1.00 4.55 N ATOM 2562 NH2 ARG A 163 18.631 0.845 10.435 1.00 3.23 N ATOM 0 H ARG A 163 12.529 2.656 10.098 1.00 1.37 H new ATOM 0 HA ARG A 163 13.593 4.976 8.835 1.00 1.39 H new ATOM 0 HB2 ARG A 163 13.211 2.033 8.185 1.00 1.37 H new ATOM 0 HB3 ARG A 163 13.809 3.133 6.958 1.00 1.37 H new ATOM 0 HG2 ARG A 163 15.707 2.097 7.981 1.00 1.76 H new ATOM 0 HG3 ARG A 163 15.684 3.776 8.481 1.00 1.76 H new ATOM 0 HD2 ARG A 163 14.919 3.185 10.708 1.00 1.46 H new ATOM 0 HD3 ARG A 163 14.637 1.522 10.234 1.00 1.46 H new ATOM 0 HE ARG A 163 17.128 2.660 11.114 1.00 1.52 H new ATOM 0 HH11 ARG A 163 15.964 0.250 8.775 1.00 4.55 H new ATOM 0 HH12 ARG A 163 17.490 -0.639 8.817 1.00 4.55 H new ATOM 0 HH21 ARG A 163 19.031 1.508 11.099 1.00 3.23 H new ATOM 0 HH22 ARG A 163 19.187 0.057 10.103 1.00 3.23 H new ATOM 2576 N VAL A 164 10.649 3.989 7.753 1.00 1.32 N ATOM 2577 CA VAL A 164 9.483 4.482 6.984 1.00 1.33 C ATOM 2578 C VAL A 164 9.105 5.886 7.467 1.00 1.49 C ATOM 2579 O VAL A 164 8.845 6.764 6.649 1.00 1.55 O ATOM 2580 CB VAL A 164 8.232 3.565 7.080 1.00 1.25 C ATOM 2581 CG1 VAL A 164 7.164 3.961 6.042 1.00 1.50 C ATOM 2582 CG2 VAL A 164 8.576 2.079 6.875 1.00 1.06 C ATOM 0 H VAL A 164 10.452 3.159 8.312 1.00 1.32 H new ATOM 0 HA VAL A 164 9.792 4.490 5.939 1.00 1.33 H new ATOM 0 HB VAL A 164 7.842 3.703 8.089 1.00 1.25 H new ATOM 0 HG11 VAL A 164 6.302 3.300 6.136 1.00 1.50 H new ATOM 0 HG12 VAL A 164 6.852 4.991 6.216 1.00 1.50 H new ATOM 0 HG13 VAL A 164 7.581 3.873 5.039 1.00 1.50 H new ATOM 0 HG21 VAL A 164 7.668 1.481 6.952 1.00 1.06 H new ATOM 0 HG22 VAL A 164 9.019 1.941 5.889 1.00 1.06 H new ATOM 0 HG23 VAL A 164 9.285 1.761 7.639 1.00 1.06 H new ATOM 2592 N VAL A 165 9.131 6.100 8.793 1.00 1.37 N ATOM 2593 CA VAL A 165 8.971 7.431 9.403 1.00 1.38 C ATOM 2594 C VAL A 165 10.069 8.380 8.903 1.00 1.56 C ATOM 2595 O VAL A 165 9.747 9.440 8.381 1.00 1.82 O ATOM 2596 CB VAL A 165 8.963 7.386 10.951 1.00 1.37 C ATOM 2597 CG1 VAL A 165 8.880 8.788 11.583 1.00 1.46 C ATOM 2598 CG2 VAL A 165 7.791 6.552 11.485 1.00 1.58 C ATOM 0 H VAL A 165 9.264 5.353 9.474 1.00 1.37 H new ATOM 0 HA VAL A 165 7.995 7.806 9.094 1.00 1.38 H new ATOM 0 HB VAL A 165 9.910 6.925 11.232 1.00 1.37 H new ATOM 0 HG11 VAL A 165 8.878 8.698 12.669 1.00 1.46 H new ATOM 0 HG12 VAL A 165 9.740 9.380 11.270 1.00 1.46 H new ATOM 0 HG13 VAL A 165 7.963 9.280 11.258 1.00 1.46 H new ATOM 0 HG21 VAL A 165 7.818 6.543 12.575 1.00 1.58 H new ATOM 0 HG22 VAL A 165 6.851 6.989 11.149 1.00 1.58 H new ATOM 0 HG23 VAL A 165 7.871 5.531 11.112 1.00 1.58 H new ATOM 2608 N ALA A 166 11.352 8.027 9.046 1.00 1.22 N ATOM 2609 CA ALA A 166 12.472 8.894 8.661 1.00 1.24 C ATOM 2610 C ALA A 166 12.528 9.249 7.164 1.00 1.46 C ATOM 2611 O ALA A 166 12.870 10.387 6.847 1.00 1.55 O ATOM 2612 CB ALA A 166 13.758 8.194 9.102 1.00 1.23 C ATOM 0 H ALA A 166 11.643 7.129 9.433 1.00 1.22 H new ATOM 0 HA ALA A 166 12.338 9.855 9.157 1.00 1.24 H new ATOM 0 HB1 ALA A 166 14.617 8.808 8.833 1.00 1.23 H new ATOM 0 HB2 ALA A 166 13.740 8.047 10.182 1.00 1.23 H new ATOM 0 HB3 ALA A 166 13.834 7.227 8.606 1.00 1.23 H new ATOM 2618 N ASP A 167 12.154 8.335 6.265 1.00 1.28 N ATOM 2619 CA ASP A 167 11.968 8.654 4.846 1.00 1.32 C ATOM 2620 C ASP A 167 10.804 9.644 4.654 1.00 1.60 C ATOM 2621 O ASP A 167 10.974 10.664 3.987 1.00 1.59 O ATOM 2622 CB ASP A 167 11.737 7.366 4.028 1.00 1.48 C ATOM 2623 CG ASP A 167 13.023 6.795 3.410 1.00 1.62 C ATOM 2624 OD1 ASP A 167 13.692 7.516 2.641 1.00 2.56 O ATOM 2625 OD2 ASP A 167 13.314 5.600 3.644 1.00 2.17 O ATOM 0 H ASP A 167 11.972 7.359 6.498 1.00 1.28 H new ATOM 0 HA ASP A 167 12.877 9.132 4.481 1.00 1.32 H new ATOM 0 HB2 ASP A 167 11.287 6.611 4.673 1.00 1.48 H new ATOM 0 HB3 ASP A 167 11.022 7.574 3.232 1.00 1.48 H new ATOM 2630 N LEU A 168 9.642 9.409 5.289 1.00 1.37 N ATOM 2631 CA LEU A 168 8.467 10.297 5.170 1.00 1.49 C ATOM 2632 C LEU A 168 8.722 11.709 5.713 1.00 1.83 C ATOM 2633 O LEU A 168 8.192 12.675 5.167 1.00 2.02 O ATOM 2634 CB LEU A 168 7.255 9.682 5.899 1.00 1.56 C ATOM 2635 CG LEU A 168 6.549 8.553 5.124 1.00 1.72 C ATOM 2636 CD1 LEU A 168 5.578 7.819 6.060 1.00 1.68 C ATOM 2637 CD2 LEU A 168 5.761 9.104 3.921 1.00 2.24 C ATOM 0 H LEU A 168 9.489 8.604 5.896 1.00 1.37 H new ATOM 0 HA LEU A 168 8.261 10.390 4.104 1.00 1.49 H new ATOM 0 HB2 LEU A 168 7.585 9.293 6.862 1.00 1.56 H new ATOM 0 HB3 LEU A 168 6.532 10.471 6.105 1.00 1.56 H new ATOM 0 HG LEU A 168 7.314 7.870 4.754 1.00 1.72 H new ATOM 0 HD11 LEU A 168 5.078 7.020 5.512 1.00 1.68 H new ATOM 0 HD12 LEU A 168 6.131 7.394 6.897 1.00 1.68 H new ATOM 0 HD13 LEU A 168 4.834 8.521 6.436 1.00 1.68 H new ATOM 0 HD21 LEU A 168 5.275 8.281 3.396 1.00 2.24 H new ATOM 0 HD22 LEU A 168 5.005 9.807 4.272 1.00 2.24 H new ATOM 0 HD23 LEU A 168 6.444 9.615 3.242 1.00 2.24 H new ATOM 2649 N GLN A 169 9.535 11.813 6.762 1.00 1.39 N ATOM 2650 CA GLN A 169 9.987 13.060 7.383 1.00 1.38 C ATOM 2651 C GLN A 169 10.737 13.950 6.377 1.00 1.72 C ATOM 2652 O GLN A 169 10.576 15.165 6.414 1.00 1.78 O ATOM 2653 CB GLN A 169 10.881 12.687 8.588 1.00 1.46 C ATOM 2654 CG GLN A 169 10.121 12.065 9.775 1.00 1.61 C ATOM 2655 CD GLN A 169 9.988 12.983 10.986 1.00 1.57 C ATOM 2656 OE1 GLN A 169 8.961 13.591 11.228 1.00 2.12 O ATOM 2657 NE2 GLN A 169 11.013 13.128 11.798 1.00 1.92 N ATOM 0 H GLN A 169 9.917 10.989 7.227 1.00 1.39 H new ATOM 0 HA GLN A 169 9.130 13.642 7.721 1.00 1.38 H new ATOM 0 HB2 GLN A 169 11.646 11.986 8.254 1.00 1.46 H new ATOM 0 HB3 GLN A 169 11.398 13.583 8.932 1.00 1.46 H new ATOM 0 HG2 GLN A 169 9.124 11.776 9.442 1.00 1.61 H new ATOM 0 HG3 GLN A 169 10.632 11.152 10.080 1.00 1.61 H new ATOM 0 HE21 GLN A 169 11.883 12.628 11.615 1.00 1.92 H new ATOM 0 HE22 GLN A 169 10.937 13.740 12.611 1.00 1.92 H new ATOM 2666 N ALA A 170 11.516 13.359 5.461 1.00 1.43 N ATOM 2667 CA ALA A 170 12.156 14.060 4.346 1.00 1.51 C ATOM 2668 C ALA A 170 11.219 14.476 3.187 1.00 1.63 C ATOM 2669 O ALA A 170 11.631 15.264 2.334 1.00 1.88 O ATOM 2670 CB ALA A 170 13.283 13.167 3.834 1.00 1.55 C ATOM 0 H ALA A 170 11.721 12.360 5.477 1.00 1.43 H new ATOM 0 HA ALA A 170 12.520 15.012 4.733 1.00 1.51 H new ATOM 0 HB1 ALA A 170 13.785 13.657 3.000 1.00 1.55 H new ATOM 0 HB2 ALA A 170 14.000 12.990 4.636 1.00 1.55 H new ATOM 0 HB3 ALA A 170 12.870 12.215 3.500 1.00 1.55 H new ATOM 2676 N LEU A 171 10.014 13.896 3.088 1.00 1.54 N ATOM 2677 CA LEU A 171 9.069 14.085 1.972 1.00 1.63 C ATOM 2678 C LEU A 171 7.950 15.100 2.261 1.00 2.02 C ATOM 2679 O LEU A 171 7.138 15.356 1.368 1.00 2.22 O ATOM 2680 CB LEU A 171 8.431 12.725 1.623 1.00 1.57 C ATOM 2681 CG LEU A 171 9.372 11.650 1.046 1.00 1.57 C ATOM 2682 CD1 LEU A 171 8.536 10.374 0.863 1.00 1.64 C ATOM 2683 CD2 LEU A 171 9.998 12.086 -0.288 1.00 1.93 C ATOM 0 H LEU A 171 9.657 13.262 3.803 1.00 1.54 H new ATOM 0 HA LEU A 171 9.647 14.490 1.141 1.00 1.63 H new ATOM 0 HB2 LEU A 171 7.968 12.324 2.525 1.00 1.57 H new ATOM 0 HB3 LEU A 171 7.630 12.899 0.904 1.00 1.57 H new ATOM 0 HG LEU A 171 10.205 11.482 1.729 1.00 1.57 H new ATOM 0 HD11 LEU A 171 9.165 9.583 0.455 1.00 1.64 H new ATOM 0 HD12 LEU A 171 8.137 10.059 1.827 1.00 1.64 H new ATOM 0 HD13 LEU A 171 7.713 10.574 0.177 1.00 1.64 H new ATOM 0 HD21 LEU A 171 10.654 11.297 -0.657 1.00 1.93 H new ATOM 0 HD22 LEU A 171 9.209 12.273 -1.016 1.00 1.93 H new ATOM 0 HD23 LEU A 171 10.576 12.998 -0.138 1.00 1.93 H new ATOM 2695 N LEU A 172 7.863 15.621 3.490 1.00 1.89 N ATOM 2696 CA LEU A 172 6.765 16.464 4.000 1.00 2.08 C ATOM 2697 C LEU A 172 6.324 17.621 3.075 1.00 2.49 C ATOM 2698 O LEU A 172 5.089 17.778 2.930 1.00 2.32 O ATOM 2699 CB LEU A 172 7.130 16.919 5.434 1.00 2.32 C ATOM 2700 CG LEU A 172 7.063 15.839 6.528 1.00 1.97 C ATOM 2701 CD1 LEU A 172 7.545 16.437 7.851 1.00 2.50 C ATOM 2702 CD2 LEU A 172 5.640 15.313 6.743 1.00 2.05 C ATOM 2703 OXT LEU A 172 7.137 18.299 2.422 1.00 3.44 O ATOM 0 H LEU A 172 8.586 15.462 4.191 1.00 1.89 H new ATOM 0 HA LEU A 172 5.863 15.852 4.023 1.00 2.08 H new ATOM 0 HB2 LEU A 172 8.141 17.327 5.417 1.00 2.32 H new ATOM 0 HB3 LEU A 172 6.462 17.733 5.715 1.00 2.32 H new ATOM 0 HG LEU A 172 7.693 15.011 6.203 1.00 1.97 H new ATOM 0 HD11 LEU A 172 7.500 15.677 8.631 1.00 2.50 H new ATOM 0 HD12 LEU A 172 8.572 16.784 7.741 1.00 2.50 H new ATOM 0 HD13 LEU A 172 6.906 17.277 8.125 1.00 2.50 H new ATOM 0 HD21 LEU A 172 5.647 14.553 7.525 1.00 2.05 H new ATOM 0 HD22 LEU A 172 4.989 16.135 7.042 1.00 2.05 H new ATOM 0 HD23 LEU A 172 5.270 14.876 5.816 1.00 2.05 H new