USER MOD reduce.3.24.130724 H: found=0, std=0, add=1240, rem=0, adj=32 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 31 SER OG : rot 64:sc= 1.14 USER MOD Set 1.2: A 32 GLN : amide:sc= 0.989 K(o=2.1,f=1.5) USER MOD Single : A 7 TYR OH : rot -4:sc= 0.106 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0.148 X(o=0.15,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 150:sc= 1.3 (180deg=0.0912) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 GLN : amide:sc= 0.528 K(o=0.53,f=0) USER MOD Single : A 36 LYS NZ :NH3+ -166:sc= 0.925 (180deg=-0.425) USER MOD Single : A 45 THR OG1 : rot -99:sc= 1.18 USER MOD Single : A 47 CYS SG : rot 180:sc= -1.07 USER MOD Single : A 51 CYS SG : rot 180:sc= -0.268 USER MOD Single : A 53 THR OG1 : rot 173:sc= 1.07 USER MOD Single : A 54 THR OG1 : rot 45:sc= 1.23 USER MOD Single : A 59 LYS NZ :NH3+ -178:sc= -0.667! (180deg=-0.727!) USER MOD Single : A 62 TYR OH : rot 144:sc= 1.29 USER MOD Single : A 64 LYS NZ :NH3+ 160:sc= 0.0305 (180deg=-0.651) USER MOD Single : A 68 LYS NZ :NH3+ 177:sc= -0.325! (180deg=-0.331!) USER MOD Single : A 70 GLN : amide:sc= 0.367 K(o=0.37,f=-1.5) USER MOD Single : A 74 GLN : amide:sc= 0.538 K(o=0.54,f=-7.9!) USER MOD Single : A 79 SER OG : rot -71:sc= 1.13 USER MOD Single : A 93 TYR OH : rot -14:sc= 0.531 USER MOD Single : A 95 LYS NZ :NH3+ 176:sc= 1.07 (180deg=1.03) USER MOD Single : A 98 HIS : no HE2:sc= -2.58! C(o=-2.6!,f=-4.5!) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot -174:sc= 1.28 USER MOD Single : A 107 SER OG : rot 90:sc= 1.26 USER MOD Single : A 116 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 117 THR OG1 : rot 87:sc= 1.24 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 1.16 K(o=1.2,f=0) USER MOD Single : A 124 LYS NZ :NH3+ -177:sc= 1.12 (180deg=1.02) USER MOD Single : A 137 HIS : no HD1:sc= 0 X(o=0,f=-0.0014) USER MOD Single : A 138 THR OG1 : rot -122:sc= 0.64 USER MOD Single : A 140 THR OG1 : rot 180:sc= 0 USER MOD Single : A 141 THR OG1 : rot -33:sc= 0.225 USER MOD Single : A 145 LYS NZ :NH3+ -179:sc= 1.25 (180deg=1.23) USER MOD Single : A 153 TYR OH : rot 155:sc= 1.2 USER MOD Single : A 154 SER OG : rot 126:sc= 1.29 USER MOD Single : A 157 LYS NZ :NH3+ -117:sc= 1.63 (180deg=-2.09) USER MOD Single : A 161 THR OG1 : rot 180:sc= 0 USER MOD Single : A 169 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD ----------------------------------------------------------------- ATOM 89 N TYR A 7 16.531 3.611 4.209 1.00 1.73 N ATOM 90 CA TYR A 7 17.159 2.750 3.180 1.00 1.98 C ATOM 91 C TYR A 7 16.199 2.207 2.094 1.00 1.86 C ATOM 92 O TYR A 7 16.499 1.220 1.421 1.00 2.12 O ATOM 93 CB TYR A 7 18.008 1.643 3.848 1.00 3.22 C ATOM 94 CG TYR A 7 17.311 0.562 4.668 1.00 2.45 C ATOM 95 CD1 TYR A 7 15.907 0.436 4.726 1.00 2.30 C ATOM 96 CD2 TYR A 7 18.109 -0.367 5.372 1.00 3.14 C ATOM 97 CE1 TYR A 7 15.314 -0.603 5.457 1.00 2.42 C ATOM 98 CE2 TYR A 7 17.519 -1.410 6.111 1.00 2.95 C ATOM 99 CZ TYR A 7 16.112 -1.532 6.154 1.00 2.27 C ATOM 100 OH TYR A 7 15.524 -2.536 6.853 1.00 2.81 O ATOM 0 HA TYR A 7 17.823 3.400 2.611 1.00 1.98 H new ATOM 0 HB2 TYR A 7 18.574 1.144 3.061 1.00 3.22 H new ATOM 0 HB3 TYR A 7 18.732 2.133 4.499 1.00 3.22 H new ATOM 0 HD1 TYR A 7 15.284 1.146 4.203 1.00 2.30 H new ATOM 0 HD2 TYR A 7 19.185 -0.276 5.343 1.00 3.14 H new ATOM 0 HE1 TYR A 7 14.238 -0.692 5.486 1.00 2.42 H new ATOM 0 HE2 TYR A 7 18.140 -2.115 6.644 1.00 2.95 H new ATOM 0 HH TYR A 7 14.550 -2.428 6.824 1.00 2.81 H new ATOM 110 N GLY A 8 15.021 2.828 1.943 1.00 1.33 N ATOM 111 CA GLY A 8 14.103 2.568 0.829 1.00 1.10 C ATOM 112 C GLY A 8 14.627 3.184 -0.470 1.00 1.12 C ATOM 113 O GLY A 8 15.524 4.036 -0.448 1.00 1.41 O ATOM 0 H GLY A 8 14.677 3.531 2.597 1.00 1.33 H new ATOM 0 HA2 GLY A 8 13.977 1.493 0.701 1.00 1.10 H new ATOM 0 HA3 GLY A 8 13.120 2.979 1.060 1.00 1.10 H new ATOM 117 N THR A 9 14.087 2.744 -1.613 1.00 0.97 N ATOM 118 CA THR A 9 14.571 3.164 -2.938 1.00 1.02 C ATOM 119 C THR A 9 14.062 4.572 -3.219 1.00 1.10 C ATOM 120 O THR A 9 12.968 4.766 -3.752 1.00 1.04 O ATOM 121 CB THR A 9 14.141 2.198 -4.041 1.00 1.18 C ATOM 122 OG1 THR A 9 14.239 0.860 -3.598 1.00 1.37 O ATOM 123 CG2 THR A 9 14.992 2.363 -5.300 1.00 1.34 C ATOM 0 H THR A 9 13.305 2.090 -1.648 1.00 0.97 H new ATOM 0 HA THR A 9 15.661 3.156 -2.931 1.00 1.02 H new ATOM 0 HB THR A 9 13.105 2.434 -4.283 1.00 1.18 H new ATOM 0 HG1 THR A 9 13.958 0.256 -4.317 1.00 1.37 H new ATOM 0 HG21 THR A 9 14.656 1.659 -6.061 1.00 1.34 H new ATOM 0 HG22 THR A 9 14.891 3.381 -5.677 1.00 1.34 H new ATOM 0 HG23 THR A 9 16.037 2.167 -5.061 1.00 1.34 H new ATOM 131 N ARG A 10 14.848 5.557 -2.796 1.00 0.86 N ATOM 132 CA ARG A 10 14.484 6.967 -2.853 1.00 0.84 C ATOM 133 C ARG A 10 14.501 7.475 -4.288 1.00 1.30 C ATOM 134 O ARG A 10 15.526 7.430 -4.965 1.00 1.55 O ATOM 135 CB ARG A 10 15.355 7.791 -1.907 1.00 0.93 C ATOM 136 CG ARG A 10 14.807 9.221 -1.796 1.00 1.27 C ATOM 137 CD ARG A 10 14.796 9.698 -0.342 1.00 2.23 C ATOM 138 NE ARG A 10 14.118 11.000 -0.234 1.00 2.77 N ATOM 139 CZ ARG A 10 13.039 11.282 0.493 1.00 4.12 C ATOM 140 NH1 ARG A 10 12.489 10.414 1.323 1.00 5.33 N ATOM 141 NH2 ARG A 10 12.514 12.488 0.376 1.00 4.70 N ATOM 0 H ARG A 10 15.772 5.394 -2.397 1.00 0.86 H new ATOM 0 HA ARG A 10 13.458 7.083 -2.503 1.00 0.84 H new ATOM 0 HB2 ARG A 10 15.378 7.325 -0.922 1.00 0.93 H new ATOM 0 HB3 ARG A 10 16.382 7.814 -2.273 1.00 0.93 H new ATOM 0 HG2 ARG A 10 15.417 9.895 -2.398 1.00 1.27 H new ATOM 0 HG3 ARG A 10 13.796 9.258 -2.201 1.00 1.27 H new ATOM 0 HD2 ARG A 10 14.289 8.964 0.284 1.00 2.23 H new ATOM 0 HD3 ARG A 10 15.818 9.781 0.028 1.00 2.23 H new ATOM 0 HE ARG A 10 14.517 11.768 -0.774 1.00 2.77 H new ATOM 0 HH11 ARG A 10 12.891 9.483 1.427 1.00 5.33 H new ATOM 0 HH12 ARG A 10 11.662 10.675 1.860 1.00 5.33 H new ATOM 0 HH21 ARG A 10 12.935 13.169 -0.256 1.00 4.70 H new ATOM 0 HH22 ARG A 10 11.687 12.739 0.918 1.00 4.70 H new ATOM 155 N LEU A 11 13.336 7.927 -4.744 1.00 0.93 N ATOM 156 CA LEU A 11 13.125 8.260 -6.158 1.00 1.05 C ATOM 157 C LEU A 11 13.454 9.725 -6.467 1.00 1.57 C ATOM 158 O LEU A 11 13.286 10.617 -5.639 1.00 2.10 O ATOM 159 CB LEU A 11 11.703 7.892 -6.628 1.00 0.93 C ATOM 160 CG LEU A 11 11.309 6.408 -6.450 1.00 0.93 C ATOM 161 CD1 LEU A 11 9.887 6.192 -6.986 1.00 1.00 C ATOM 162 CD2 LEU A 11 12.269 5.442 -7.161 1.00 0.98 C ATOM 0 H LEU A 11 12.517 8.073 -4.154 1.00 0.93 H new ATOM 0 HA LEU A 11 13.827 7.650 -6.727 1.00 1.05 H new ATOM 0 HB2 LEU A 11 10.988 8.508 -6.083 1.00 0.93 H new ATOM 0 HB3 LEU A 11 11.609 8.151 -7.682 1.00 0.93 H new ATOM 0 HG LEU A 11 11.363 6.189 -5.384 1.00 0.93 H new ATOM 0 HD11 LEU A 11 9.606 5.146 -6.862 1.00 1.00 H new ATOM 0 HD12 LEU A 11 9.190 6.823 -6.434 1.00 1.00 H new ATOM 0 HD13 LEU A 11 9.853 6.454 -8.044 1.00 1.00 H new ATOM 0 HD21 LEU A 11 11.939 4.416 -6.999 1.00 0.98 H new ATOM 0 HD22 LEU A 11 12.275 5.656 -8.230 1.00 0.98 H new ATOM 0 HD23 LEU A 11 13.275 5.567 -6.760 1.00 0.98 H new ATOM 174 N LEU A 12 13.894 9.948 -7.706 1.00 1.48 N ATOM 175 CA LEU A 12 13.994 11.252 -8.360 1.00 1.92 C ATOM 176 C LEU A 12 12.922 11.339 -9.460 1.00 2.35 C ATOM 177 O LEU A 12 12.256 10.348 -9.751 1.00 3.78 O ATOM 178 CB LEU A 12 15.412 11.435 -8.919 1.00 2.09 C ATOM 179 CG LEU A 12 16.521 11.403 -7.845 1.00 2.23 C ATOM 180 CD1 LEU A 12 17.833 11.743 -8.547 1.00 2.74 C ATOM 181 CD2 LEU A 12 16.308 12.405 -6.696 1.00 3.64 C ATOM 0 H LEU A 12 14.205 9.187 -8.309 1.00 1.48 H new ATOM 0 HA LEU A 12 13.816 12.058 -7.648 1.00 1.92 H new ATOM 0 HB2 LEU A 12 15.607 10.651 -9.651 1.00 2.09 H new ATOM 0 HB3 LEU A 12 15.462 12.386 -9.450 1.00 2.09 H new ATOM 0 HG LEU A 12 16.518 10.412 -7.392 1.00 2.23 H new ATOM 0 HD11 LEU A 12 18.647 11.732 -7.822 1.00 2.74 H new ATOM 0 HD12 LEU A 12 18.030 11.006 -9.326 1.00 2.74 H new ATOM 0 HD13 LEU A 12 17.760 12.734 -8.995 1.00 2.74 H new ATOM 0 HD21 LEU A 12 17.128 12.321 -5.983 1.00 3.64 H new ATOM 0 HD22 LEU A 12 16.278 13.418 -7.097 1.00 3.64 H new ATOM 0 HD23 LEU A 12 15.366 12.186 -6.192 1.00 3.64 H new ATOM 193 N ASN A 13 12.758 12.516 -10.078 1.00 2.25 N ATOM 194 CA ASN A 13 11.820 12.767 -11.192 1.00 2.17 C ATOM 195 C ASN A 13 10.433 12.077 -11.007 1.00 2.10 C ATOM 196 O ASN A 13 10.024 11.261 -11.843 1.00 2.59 O ATOM 197 CB ASN A 13 12.536 12.427 -12.514 1.00 2.17 C ATOM 198 CG ASN A 13 11.879 13.095 -13.717 1.00 3.05 C ATOM 199 OD1 ASN A 13 12.281 14.165 -14.144 1.00 4.00 O ATOM 200 ND2 ASN A 13 10.839 12.510 -14.278 1.00 3.71 N ATOM 0 H ASN A 13 13.287 13.347 -9.813 1.00 2.25 H new ATOM 0 HA ASN A 13 11.553 13.824 -11.211 1.00 2.17 H new ATOM 0 HB2 ASN A 13 13.578 12.741 -12.451 1.00 2.17 H new ATOM 0 HB3 ASN A 13 12.537 11.346 -12.657 1.00 2.17 H new ATOM 0 HD21 ASN A 13 10.371 12.952 -15.069 1.00 3.71 H new ATOM 0 HD22 ASN A 13 10.503 11.616 -13.921 1.00 3.71 H new ATOM 207 N PRO A 14 9.736 12.341 -9.880 1.00 1.61 N ATOM 208 CA PRO A 14 8.682 11.477 -9.346 1.00 1.29 C ATOM 209 C PRO A 14 7.448 11.397 -10.255 1.00 1.51 C ATOM 210 O PRO A 14 6.765 12.386 -10.517 1.00 1.90 O ATOM 211 CB PRO A 14 8.363 12.027 -7.952 1.00 1.32 C ATOM 212 CG PRO A 14 8.807 13.486 -8.022 1.00 1.53 C ATOM 213 CD PRO A 14 10.025 13.409 -8.931 1.00 1.55 C ATOM 0 HA PRO A 14 9.019 10.442 -9.291 1.00 1.29 H new ATOM 0 HB2 PRO A 14 7.301 11.943 -7.723 1.00 1.32 H new ATOM 0 HB3 PRO A 14 8.900 11.483 -7.175 1.00 1.32 H new ATOM 0 HG2 PRO A 14 8.030 14.128 -8.436 1.00 1.53 H new ATOM 0 HG3 PRO A 14 9.058 13.883 -7.038 1.00 1.53 H new ATOM 0 HD2 PRO A 14 10.192 14.356 -9.445 1.00 1.55 H new ATOM 0 HD3 PRO A 14 10.928 13.193 -8.360 1.00 1.55 H new ATOM 221 N LYS A 15 7.157 10.180 -10.728 1.00 1.05 N ATOM 222 CA LYS A 15 6.130 9.909 -11.740 1.00 1.13 C ATOM 223 C LYS A 15 4.715 10.171 -11.172 1.00 1.32 C ATOM 224 O LYS A 15 4.359 9.528 -10.182 1.00 1.35 O ATOM 225 CB LYS A 15 6.339 8.466 -12.242 1.00 1.22 C ATOM 226 CG LYS A 15 5.560 8.030 -13.500 1.00 1.74 C ATOM 227 CD LYS A 15 4.105 7.573 -13.274 1.00 2.94 C ATOM 228 CE LYS A 15 3.849 6.056 -13.339 1.00 2.84 C ATOM 229 NZ LYS A 15 4.186 5.337 -12.087 1.00 2.95 N ATOM 0 H LYS A 15 7.639 9.339 -10.411 1.00 1.05 H new ATOM 0 HA LYS A 15 6.222 10.585 -12.590 1.00 1.13 H new ATOM 0 HB2 LYS A 15 7.402 8.330 -12.441 1.00 1.22 H new ATOM 0 HB3 LYS A 15 6.076 7.786 -11.431 1.00 1.22 H new ATOM 0 HG2 LYS A 15 5.553 8.862 -14.204 1.00 1.74 H new ATOM 0 HG3 LYS A 15 6.105 7.215 -13.976 1.00 1.74 H new ATOM 0 HD2 LYS A 15 3.781 7.933 -12.298 1.00 2.94 H new ATOM 0 HD3 LYS A 15 3.474 8.059 -14.018 1.00 2.94 H new ATOM 0 HE2 LYS A 15 2.799 5.884 -13.574 1.00 2.84 H new ATOM 0 HE3 LYS A 15 4.432 5.634 -14.157 1.00 2.84 H new ATOM 0 HZ1 LYS A 15 3.568 4.506 -11.987 1.00 2.95 H new ATOM 0 HZ2 LYS A 15 5.179 5.029 -12.120 1.00 2.95 H new ATOM 0 HZ3 LYS A 15 4.048 5.971 -11.274 1.00 2.95 H new ATOM 243 N PRO A 16 3.908 11.072 -11.761 1.00 1.13 N ATOM 244 CA PRO A 16 2.557 11.386 -11.301 1.00 1.24 C ATOM 245 C PRO A 16 1.621 10.223 -11.647 1.00 1.48 C ATOM 246 O PRO A 16 1.835 9.548 -12.652 1.00 1.50 O ATOM 247 CB PRO A 16 2.182 12.684 -12.018 1.00 1.52 C ATOM 248 CG PRO A 16 2.962 12.608 -13.331 1.00 1.57 C ATOM 249 CD PRO A 16 4.208 11.786 -12.989 1.00 1.28 C ATOM 0 HA PRO A 16 2.484 11.520 -10.222 1.00 1.24 H new ATOM 0 HB2 PRO A 16 1.108 12.750 -12.193 1.00 1.52 H new ATOM 0 HB3 PRO A 16 2.464 13.560 -11.434 1.00 1.52 H new ATOM 0 HG2 PRO A 16 2.374 12.130 -14.115 1.00 1.57 H new ATOM 0 HG3 PRO A 16 3.228 13.601 -13.693 1.00 1.57 H new ATOM 0 HD2 PRO A 16 4.446 11.090 -13.794 1.00 1.28 H new ATOM 0 HD3 PRO A 16 5.076 12.433 -12.859 1.00 1.28 H new ATOM 257 N VAL A 17 0.616 9.966 -10.806 1.00 1.20 N ATOM 258 CA VAL A 17 -0.192 8.740 -10.848 1.00 1.20 C ATOM 259 C VAL A 17 -1.642 9.004 -10.436 1.00 1.59 C ATOM 260 O VAL A 17 -1.911 9.661 -9.432 1.00 1.63 O ATOM 261 CB VAL A 17 0.400 7.608 -9.964 1.00 1.17 C ATOM 262 CG1 VAL A 17 1.621 6.943 -10.623 1.00 1.23 C ATOM 263 CG2 VAL A 17 0.861 8.052 -8.564 1.00 1.18 C ATOM 0 H VAL A 17 0.335 10.610 -10.067 1.00 1.20 H new ATOM 0 HA VAL A 17 -0.172 8.407 -11.886 1.00 1.20 H new ATOM 0 HB VAL A 17 -0.438 6.919 -9.861 1.00 1.17 H new ATOM 0 HG11 VAL A 17 2.003 6.157 -9.971 1.00 1.23 H new ATOM 0 HG12 VAL A 17 1.328 6.510 -11.579 1.00 1.23 H new ATOM 0 HG13 VAL A 17 2.398 7.690 -10.786 1.00 1.23 H new ATOM 0 HG21 VAL A 17 1.259 7.194 -8.023 1.00 1.18 H new ATOM 0 HG22 VAL A 17 1.637 8.812 -8.660 1.00 1.18 H new ATOM 0 HG23 VAL A 17 0.014 8.466 -8.016 1.00 1.18 H new ATOM 273 N ASP A 18 -2.553 8.416 -11.213 1.00 1.32 N ATOM 274 CA ASP A 18 -3.943 8.126 -10.861 1.00 1.24 C ATOM 275 C ASP A 18 -4.209 6.623 -11.071 1.00 1.11 C ATOM 276 O ASP A 18 -3.452 5.942 -11.756 1.00 1.39 O ATOM 277 CB ASP A 18 -4.916 9.010 -11.672 1.00 1.37 C ATOM 278 CG ASP A 18 -6.368 8.966 -11.161 1.00 1.63 C ATOM 279 OD1 ASP A 18 -6.577 8.578 -9.990 1.00 2.14 O ATOM 280 OD2 ASP A 18 -7.302 9.335 -11.910 1.00 2.47 O ATOM 0 H ASP A 18 -2.327 8.112 -12.160 1.00 1.32 H new ATOM 0 HA ASP A 18 -4.115 8.365 -9.811 1.00 1.24 H new ATOM 0 HB2 ASP A 18 -4.563 10.041 -11.647 1.00 1.37 H new ATOM 0 HB3 ASP A 18 -4.898 8.692 -12.715 1.00 1.37 H new ATOM 285 N PHE A 19 -5.283 6.099 -10.486 1.00 0.95 N ATOM 286 CA PHE A 19 -5.788 4.752 -10.756 1.00 0.83 C ATOM 287 C PHE A 19 -7.317 4.778 -10.815 1.00 1.79 C ATOM 288 O PHE A 19 -7.938 5.778 -10.458 1.00 2.20 O ATOM 289 CB PHE A 19 -5.262 3.745 -9.706 1.00 0.95 C ATOM 290 CG PHE A 19 -5.702 3.950 -8.259 1.00 1.28 C ATOM 291 CD1 PHE A 19 -7.022 3.678 -7.851 1.00 2.35 C ATOM 292 CD2 PHE A 19 -4.759 4.337 -7.290 1.00 1.86 C ATOM 293 CE1 PHE A 19 -7.411 3.850 -6.512 1.00 2.57 C ATOM 294 CE2 PHE A 19 -5.134 4.453 -5.937 1.00 1.83 C ATOM 295 CZ PHE A 19 -6.465 4.229 -5.548 1.00 1.84 C ATOM 0 H PHE A 19 -5.839 6.607 -9.798 1.00 0.95 H new ATOM 0 HA PHE A 19 -5.419 4.416 -11.725 1.00 0.83 H new ATOM 0 HB2 PHE A 19 -5.569 2.745 -10.014 1.00 0.95 H new ATOM 0 HB3 PHE A 19 -4.173 3.767 -9.734 1.00 0.95 H new ATOM 0 HD1 PHE A 19 -7.744 3.333 -8.576 1.00 2.35 H new ATOM 0 HD2 PHE A 19 -3.741 4.546 -7.585 1.00 1.86 H new ATOM 0 HE1 PHE A 19 -8.440 3.690 -6.224 1.00 2.57 H new ATOM 0 HE2 PHE A 19 -4.394 4.715 -5.195 1.00 1.83 H new ATOM 0 HZ PHE A 19 -6.758 4.348 -4.515 1.00 1.84 H new ATOM 305 N ALA A 20 -7.933 3.654 -11.182 1.00 0.82 N ATOM 306 CA ALA A 20 -9.335 3.387 -10.878 1.00 0.86 C ATOM 307 C ALA A 20 -9.485 1.980 -10.292 1.00 0.92 C ATOM 308 O ALA A 20 -8.910 1.031 -10.811 1.00 0.92 O ATOM 309 CB ALA A 20 -10.167 3.609 -12.141 1.00 0.94 C ATOM 0 H ALA A 20 -7.472 2.904 -11.698 1.00 0.82 H new ATOM 0 HA ALA A 20 -9.706 4.075 -10.118 1.00 0.86 H new ATOM 0 HB1 ALA A 20 -11.217 3.412 -11.924 1.00 0.94 H new ATOM 0 HB2 ALA A 20 -10.053 4.640 -12.475 1.00 0.94 H new ATOM 0 HB3 ALA A 20 -9.825 2.933 -12.925 1.00 0.94 H new ATOM 315 N LEU A 21 -10.201 1.887 -9.173 1.00 0.94 N ATOM 316 CA LEU A 21 -10.540 0.664 -8.449 1.00 0.89 C ATOM 317 C LEU A 21 -11.951 0.795 -7.867 1.00 1.19 C ATOM 318 O LEU A 21 -12.477 1.907 -7.750 1.00 1.31 O ATOM 319 CB LEU A 21 -9.526 0.443 -7.303 1.00 0.87 C ATOM 320 CG LEU A 21 -8.103 0.035 -7.736 1.00 1.36 C ATOM 321 CD1 LEU A 21 -7.173 0.064 -6.519 1.00 2.77 C ATOM 322 CD2 LEU A 21 -8.084 -1.366 -8.366 1.00 1.49 C ATOM 0 H LEU A 21 -10.584 2.716 -8.719 1.00 0.94 H new ATOM 0 HA LEU A 21 -10.504 -0.186 -9.131 1.00 0.89 H new ATOM 0 HB2 LEU A 21 -9.459 1.362 -6.720 1.00 0.87 H new ATOM 0 HB3 LEU A 21 -9.919 -0.327 -6.639 1.00 0.87 H new ATOM 0 HG LEU A 21 -7.760 0.746 -8.488 1.00 1.36 H new ATOM 0 HD11 LEU A 21 -6.167 -0.224 -6.823 1.00 2.77 H new ATOM 0 HD12 LEU A 21 -7.152 1.071 -6.101 1.00 2.77 H new ATOM 0 HD13 LEU A 21 -7.538 -0.634 -5.765 1.00 2.77 H new ATOM 0 HD21 LEU A 21 -7.065 -1.619 -8.659 1.00 1.49 H new ATOM 0 HD22 LEU A 21 -8.446 -2.096 -7.641 1.00 1.49 H new ATOM 0 HD23 LEU A 21 -8.728 -1.378 -9.245 1.00 1.49 H new ATOM 334 N GLU A 22 -12.531 -0.319 -7.425 1.00 1.00 N ATOM 335 CA GLU A 22 -13.748 -0.348 -6.619 1.00 0.86 C ATOM 336 C GLU A 22 -13.454 -0.512 -5.121 1.00 1.05 C ATOM 337 O GLU A 22 -12.435 -1.066 -4.697 1.00 1.22 O ATOM 338 CB GLU A 22 -14.706 -1.446 -7.107 1.00 0.88 C ATOM 339 CG GLU A 22 -15.225 -1.201 -8.533 1.00 1.92 C ATOM 340 CD GLU A 22 -14.526 -2.081 -9.575 1.00 2.62 C ATOM 341 OE1 GLU A 22 -13.284 -2.039 -9.674 1.00 3.49 O ATOM 342 OE2 GLU A 22 -15.202 -2.863 -10.275 1.00 3.18 O ATOM 0 H GLU A 22 -12.158 -1.248 -7.622 1.00 1.00 H new ATOM 0 HA GLU A 22 -14.233 0.620 -6.747 1.00 0.86 H new ATOM 0 HB2 GLU A 22 -14.195 -2.408 -7.073 1.00 0.88 H new ATOM 0 HB3 GLU A 22 -15.553 -1.511 -6.424 1.00 0.88 H new ATOM 0 HG2 GLU A 22 -16.298 -1.392 -8.563 1.00 1.92 H new ATOM 0 HG3 GLU A 22 -15.080 -0.152 -8.793 1.00 1.92 H new ATOM 349 N GLY A 23 -14.389 -0.007 -4.316 1.00 0.86 N ATOM 350 CA GLY A 23 -14.410 -0.099 -2.855 1.00 0.86 C ATOM 351 C GLY A 23 -15.774 -0.580 -2.338 1.00 0.91 C ATOM 352 O GLY A 23 -16.706 -0.710 -3.134 1.00 1.03 O ATOM 0 H GLY A 23 -15.193 0.503 -4.683 1.00 0.86 H new ATOM 0 HA2 GLY A 23 -13.631 -0.785 -2.522 1.00 0.86 H new ATOM 0 HA3 GLY A 23 -14.181 0.876 -2.425 1.00 0.86 H new ATOM 356 N PRO A 24 -15.932 -0.798 -1.016 1.00 0.78 N ATOM 357 CA PRO A 24 -17.138 -1.370 -0.393 1.00 0.89 C ATOM 358 C PRO A 24 -18.429 -0.524 -0.506 1.00 1.38 C ATOM 359 O PRO A 24 -19.448 -0.908 0.062 1.00 1.52 O ATOM 360 CB PRO A 24 -16.742 -1.635 1.067 1.00 0.97 C ATOM 361 CG PRO A 24 -15.599 -0.658 1.337 1.00 1.03 C ATOM 362 CD PRO A 24 -14.892 -0.599 -0.013 1.00 0.88 C ATOM 0 HA PRO A 24 -17.425 -2.273 -0.932 1.00 0.89 H new ATOM 0 HB2 PRO A 24 -17.580 -1.462 1.743 1.00 0.97 H new ATOM 0 HB3 PRO A 24 -16.424 -2.668 1.211 1.00 0.97 H new ATOM 0 HG2 PRO A 24 -15.966 0.321 1.646 1.00 1.03 H new ATOM 0 HG3 PRO A 24 -14.938 -1.015 2.127 1.00 1.03 H new ATOM 0 HD2 PRO A 24 -14.394 0.360 -0.152 1.00 0.88 H new ATOM 0 HD3 PRO A 24 -14.125 -1.370 -0.087 1.00 0.88 H new ATOM 370 N GLN A 25 -18.425 0.605 -1.227 1.00 1.30 N ATOM 371 CA GLN A 25 -19.598 1.483 -1.364 1.00 1.68 C ATOM 372 C GLN A 25 -19.597 2.319 -2.662 1.00 1.72 C ATOM 373 O GLN A 25 -20.541 3.068 -2.898 1.00 2.26 O ATOM 374 CB GLN A 25 -19.711 2.346 -0.087 1.00 2.07 C ATOM 375 CG GLN A 25 -21.073 3.038 0.083 1.00 3.41 C ATOM 376 CD GLN A 25 -21.306 3.491 1.524 1.00 3.84 C ATOM 377 OE1 GLN A 25 -20.665 4.388 2.043 1.00 3.77 O ATOM 378 NE2 GLN A 25 -22.215 2.874 2.251 1.00 4.72 N ATOM 0 H GLN A 25 -17.605 0.938 -1.734 1.00 1.30 H new ATOM 0 HA GLN A 25 -20.490 0.864 -1.461 1.00 1.68 H new ATOM 0 HB2 GLN A 25 -19.525 1.716 0.782 1.00 2.07 H new ATOM 0 HB3 GLN A 25 -18.929 3.105 -0.104 1.00 2.07 H new ATOM 0 HG2 GLN A 25 -21.128 3.900 -0.582 1.00 3.41 H new ATOM 0 HG3 GLN A 25 -21.868 2.354 -0.216 1.00 3.41 H new ATOM 0 HE21 GLN A 25 -22.767 2.119 1.844 1.00 4.72 H new ATOM 0 HE22 GLN A 25 -22.367 3.151 3.221 1.00 4.72 H new ATOM 387 N GLY A 26 -18.581 2.192 -3.530 1.00 1.18 N ATOM 388 CA GLY A 26 -18.450 2.975 -4.762 1.00 1.17 C ATOM 389 C GLY A 26 -17.054 2.883 -5.398 1.00 1.24 C ATOM 390 O GLY A 26 -16.173 2.220 -4.843 1.00 1.45 O ATOM 0 H GLY A 26 -17.817 1.531 -3.390 1.00 1.18 H new ATOM 0 HA2 GLY A 26 -19.193 2.632 -5.482 1.00 1.17 H new ATOM 0 HA3 GLY A 26 -18.674 4.019 -4.546 1.00 1.17 H new ATOM 394 N PRO A 27 -16.839 3.516 -6.568 1.00 1.14 N ATOM 395 CA PRO A 27 -15.550 3.563 -7.252 1.00 1.21 C ATOM 396 C PRO A 27 -14.617 4.609 -6.620 1.00 1.22 C ATOM 397 O PRO A 27 -15.071 5.645 -6.141 1.00 1.09 O ATOM 398 CB PRO A 27 -15.886 3.911 -8.705 1.00 1.34 C ATOM 399 CG PRO A 27 -17.137 4.780 -8.570 1.00 1.25 C ATOM 400 CD PRO A 27 -17.864 4.171 -7.369 1.00 1.16 C ATOM 0 HA PRO A 27 -15.014 2.617 -7.177 1.00 1.21 H new ATOM 0 HB2 PRO A 27 -15.071 4.449 -9.190 1.00 1.34 H new ATOM 0 HB3 PRO A 27 -16.077 3.018 -9.300 1.00 1.34 H new ATOM 0 HG2 PRO A 27 -16.883 5.826 -8.398 1.00 1.25 H new ATOM 0 HG3 PRO A 27 -17.750 4.745 -9.471 1.00 1.25 H new ATOM 0 HD2 PRO A 27 -18.377 4.941 -6.792 1.00 1.16 H new ATOM 0 HD3 PRO A 27 -18.622 3.457 -7.693 1.00 1.16 H new ATOM 408 N VAL A 28 -13.310 4.341 -6.647 1.00 0.99 N ATOM 409 CA VAL A 28 -12.266 5.157 -6.004 1.00 0.92 C ATOM 410 C VAL A 28 -11.066 5.286 -6.947 1.00 1.14 C ATOM 411 O VAL A 28 -10.766 4.377 -7.720 1.00 1.18 O ATOM 412 CB VAL A 28 -11.829 4.554 -4.643 1.00 1.06 C ATOM 413 CG1 VAL A 28 -10.824 5.465 -3.907 1.00 1.26 C ATOM 414 CG2 VAL A 28 -13.031 4.324 -3.707 1.00 1.85 C ATOM 0 H VAL A 28 -12.932 3.526 -7.131 1.00 0.99 H new ATOM 0 HA VAL A 28 -12.677 6.146 -5.802 1.00 0.92 H new ATOM 0 HB VAL A 28 -11.357 3.601 -4.881 1.00 1.06 H new ATOM 0 HG11 VAL A 28 -10.544 5.006 -2.959 1.00 1.26 H new ATOM 0 HG12 VAL A 28 -9.935 5.598 -4.523 1.00 1.26 H new ATOM 0 HG13 VAL A 28 -11.283 6.436 -3.719 1.00 1.26 H new ATOM 0 HG21 VAL A 28 -12.683 3.901 -2.765 1.00 1.85 H new ATOM 0 HG22 VAL A 28 -13.530 5.274 -3.516 1.00 1.85 H new ATOM 0 HG23 VAL A 28 -13.732 3.634 -4.177 1.00 1.85 H new ATOM 424 N ARG A 29 -10.393 6.437 -6.889 1.00 0.74 N ATOM 425 CA ARG A 29 -9.252 6.808 -7.724 1.00 0.75 C ATOM 426 C ARG A 29 -8.142 7.455 -6.876 1.00 1.14 C ATOM 427 O ARG A 29 -8.410 7.941 -5.773 1.00 1.36 O ATOM 428 CB ARG A 29 -9.757 7.787 -8.791 1.00 0.88 C ATOM 429 CG ARG A 29 -10.674 7.103 -9.816 1.00 1.06 C ATOM 430 CD ARG A 29 -10.505 7.710 -11.208 1.00 1.51 C ATOM 431 NE ARG A 29 -11.379 8.879 -11.394 1.00 2.20 N ATOM 432 CZ ARG A 29 -11.064 10.025 -11.986 1.00 3.21 C ATOM 433 NH1 ARG A 29 -9.844 10.326 -12.377 1.00 3.59 N ATOM 434 NH2 ARG A 29 -12.021 10.905 -12.206 1.00 4.65 N ATOM 0 H ARG A 29 -10.642 7.171 -6.226 1.00 0.74 H new ATOM 0 HA ARG A 29 -8.824 5.922 -8.193 1.00 0.75 H new ATOM 0 HB2 ARG A 29 -10.298 8.601 -8.308 1.00 0.88 H new ATOM 0 HB3 ARG A 29 -8.906 8.231 -9.307 1.00 0.88 H new ATOM 0 HG2 ARG A 29 -10.450 6.037 -9.853 1.00 1.06 H new ATOM 0 HG3 ARG A 29 -11.712 7.200 -9.499 1.00 1.06 H new ATOM 0 HD2 ARG A 29 -9.466 8.004 -11.355 1.00 1.51 H new ATOM 0 HD3 ARG A 29 -10.734 6.959 -11.964 1.00 1.51 H new ATOM 0 HE ARG A 29 -12.328 8.801 -11.029 1.00 2.20 H new ATOM 0 HH11 ARG A 29 -9.083 9.663 -12.230 1.00 3.59 H new ATOM 0 HH12 ARG A 29 -9.659 11.222 -12.827 1.00 3.59 H new ATOM 0 HH21 ARG A 29 -12.979 10.698 -11.923 1.00 4.65 H new ATOM 0 HH22 ARG A 29 -11.803 11.792 -12.659 1.00 4.65 H new ATOM 448 N LEU A 30 -6.911 7.549 -7.389 1.00 0.85 N ATOM 449 CA LEU A 30 -5.863 8.372 -6.751 1.00 1.01 C ATOM 450 C LEU A 30 -6.130 9.877 -6.919 1.00 1.47 C ATOM 451 O LEU A 30 -5.675 10.672 -6.102 1.00 1.64 O ATOM 452 CB LEU A 30 -4.462 7.984 -7.257 1.00 1.04 C ATOM 453 CG LEU A 30 -3.456 7.657 -6.140 1.00 0.95 C ATOM 454 CD1 LEU A 30 -2.146 7.182 -6.772 1.00 2.01 C ATOM 455 CD2 LEU A 30 -3.163 8.857 -5.231 1.00 2.19 C ATOM 0 H LEU A 30 -6.611 7.071 -8.239 1.00 0.85 H new ATOM 0 HA LEU A 30 -5.896 8.163 -5.682 1.00 1.01 H new ATOM 0 HB2 LEU A 30 -4.552 7.119 -7.914 1.00 1.04 H new ATOM 0 HB3 LEU A 30 -4.066 8.802 -7.859 1.00 1.04 H new ATOM 0 HG LEU A 30 -3.902 6.880 -5.520 1.00 0.95 H new ATOM 0 HD11 LEU A 30 -1.427 6.948 -5.987 1.00 2.01 H new ATOM 0 HD12 LEU A 30 -2.333 6.290 -7.370 1.00 2.01 H new ATOM 0 HD13 LEU A 30 -1.743 7.969 -7.410 1.00 2.01 H new ATOM 0 HD21 LEU A 30 -2.447 8.565 -4.463 1.00 2.19 H new ATOM 0 HD22 LEU A 30 -2.746 9.670 -5.825 1.00 2.19 H new ATOM 0 HD23 LEU A 30 -4.087 9.190 -4.758 1.00 2.19 H new ATOM 467 N SER A 31 -6.953 10.274 -7.892 1.00 1.27 N ATOM 468 CA SER A 31 -7.501 11.632 -8.026 1.00 1.51 C ATOM 469 C SER A 31 -8.234 12.114 -6.767 1.00 1.44 C ATOM 470 O SER A 31 -8.450 13.311 -6.620 1.00 1.82 O ATOM 471 CB SER A 31 -8.446 11.729 -9.238 1.00 1.88 C ATOM 472 OG SER A 31 -9.613 10.923 -9.125 1.00 2.28 O ATOM 0 H SER A 31 -7.267 9.645 -8.631 1.00 1.27 H new ATOM 0 HA SER A 31 -6.641 12.285 -8.175 1.00 1.51 H new ATOM 0 HB2 SER A 31 -8.746 12.769 -9.370 1.00 1.88 H new ATOM 0 HB3 SER A 31 -7.901 11.438 -10.136 1.00 1.88 H new ATOM 0 HG SER A 31 -10.153 11.233 -8.368 1.00 2.28 H new ATOM 478 N GLN A 32 -8.599 11.210 -5.849 1.00 1.01 N ATOM 479 CA GLN A 32 -9.229 11.554 -4.577 1.00 1.02 C ATOM 480 C GLN A 32 -8.204 11.920 -3.482 1.00 1.31 C ATOM 481 O GLN A 32 -8.610 12.285 -2.381 1.00 1.45 O ATOM 482 CB GLN A 32 -10.144 10.395 -4.131 1.00 1.06 C ATOM 483 CG GLN A 32 -11.067 9.811 -5.223 1.00 1.52 C ATOM 484 CD GLN A 32 -11.827 10.861 -6.024 1.00 2.29 C ATOM 485 OE1 GLN A 32 -11.482 11.188 -7.153 1.00 3.02 O ATOM 486 NE2 GLN A 32 -12.866 11.439 -5.466 1.00 2.76 N ATOM 0 H GLN A 32 -8.461 10.207 -5.975 1.00 1.01 H new ATOM 0 HA GLN A 32 -9.829 12.451 -4.729 1.00 1.02 H new ATOM 0 HB2 GLN A 32 -9.518 9.592 -3.743 1.00 1.06 H new ATOM 0 HB3 GLN A 32 -10.764 10.744 -3.305 1.00 1.06 H new ATOM 0 HG2 GLN A 32 -10.467 9.211 -5.908 1.00 1.52 H new ATOM 0 HG3 GLN A 32 -11.785 9.137 -4.755 1.00 1.52 H new ATOM 0 HE21 GLN A 32 -13.156 11.169 -4.526 1.00 2.76 H new ATOM 0 HE22 GLN A 32 -13.383 12.158 -5.973 1.00 2.76 H new ATOM 495 N PHE A 33 -6.893 11.829 -3.765 1.00 1.02 N ATOM 496 CA PHE A 33 -5.803 12.053 -2.805 1.00 1.16 C ATOM 497 C PHE A 33 -4.580 12.780 -3.422 1.00 2.23 C ATOM 498 O PHE A 33 -3.475 12.672 -2.889 1.00 2.68 O ATOM 499 CB PHE A 33 -5.386 10.704 -2.173 1.00 1.31 C ATOM 500 CG PHE A 33 -6.501 9.724 -1.837 1.00 1.12 C ATOM 501 CD1 PHE A 33 -7.356 9.959 -0.744 1.00 1.74 C ATOM 502 CD2 PHE A 33 -6.699 8.581 -2.638 1.00 2.48 C ATOM 503 CE1 PHE A 33 -8.407 9.066 -0.463 1.00 1.76 C ATOM 504 CE2 PHE A 33 -7.744 7.683 -2.351 1.00 2.37 C ATOM 505 CZ PHE A 33 -8.598 7.927 -1.264 1.00 1.33 C ATOM 0 H PHE A 33 -6.554 11.590 -4.697 1.00 1.02 H new ATOM 0 HA PHE A 33 -6.184 12.721 -2.032 1.00 1.16 H new ATOM 0 HB2 PHE A 33 -4.695 10.210 -2.856 1.00 1.31 H new ATOM 0 HB3 PHE A 33 -4.834 10.915 -1.257 1.00 1.31 H new ATOM 0 HD1 PHE A 33 -7.205 10.827 -0.119 1.00 1.74 H new ATOM 0 HD2 PHE A 33 -6.045 8.393 -3.477 1.00 2.48 H new ATOM 0 HE1 PHE A 33 -9.068 9.256 0.370 1.00 1.76 H new ATOM 0 HE2 PHE A 33 -7.889 6.807 -2.966 1.00 2.37 H new ATOM 0 HZ PHE A 33 -9.401 7.240 -1.043 1.00 1.33 H new ATOM 515 N GLN A 34 -4.745 13.506 -4.537 1.00 1.25 N ATOM 516 CA GLN A 34 -3.674 14.250 -5.235 1.00 1.51 C ATOM 517 C GLN A 34 -3.309 15.567 -4.539 1.00 1.88 C ATOM 518 O GLN A 34 -3.446 16.656 -5.082 1.00 3.47 O ATOM 519 CB GLN A 34 -4.025 14.445 -6.719 1.00 1.60 C ATOM 520 CG GLN A 34 -3.693 13.179 -7.523 1.00 2.42 C ATOM 521 CD GLN A 34 -2.855 13.486 -8.768 1.00 2.76 C ATOM 522 OE1 GLN A 34 -3.277 13.290 -9.892 1.00 3.17 O ATOM 523 NE2 GLN A 34 -1.659 14.024 -8.649 1.00 3.42 N ATOM 0 H GLN A 34 -5.652 13.598 -4.995 1.00 1.25 H new ATOM 0 HA GLN A 34 -2.772 13.641 -5.185 1.00 1.51 H new ATOM 0 HB2 GLN A 34 -5.085 14.679 -6.820 1.00 1.60 H new ATOM 0 HB3 GLN A 34 -3.471 15.293 -7.121 1.00 1.60 H new ATOM 0 HG2 GLN A 34 -3.152 12.478 -6.887 1.00 2.42 H new ATOM 0 HG3 GLN A 34 -4.619 12.688 -7.823 1.00 2.42 H new ATOM 0 HE21 GLN A 34 -1.271 14.204 -7.723 1.00 3.42 H new ATOM 0 HE22 GLN A 34 -1.121 14.261 -9.483 1.00 3.42 H new ATOM 532 N ASP A 35 -2.846 15.430 -3.303 1.00 1.11 N ATOM 533 CA ASP A 35 -2.737 16.482 -2.285 1.00 1.24 C ATOM 534 C ASP A 35 -2.226 15.916 -0.943 1.00 1.28 C ATOM 535 O ASP A 35 -1.484 16.573 -0.217 1.00 1.52 O ATOM 536 CB ASP A 35 -4.104 17.198 -2.170 1.00 1.70 C ATOM 537 CG ASP A 35 -4.569 17.492 -0.748 1.00 2.03 C ATOM 538 OD1 ASP A 35 -4.084 18.449 -0.103 1.00 2.72 O ATOM 539 OD2 ASP A 35 -5.410 16.711 -0.248 1.00 3.11 O ATOM 0 H ASP A 35 -2.515 14.529 -2.958 1.00 1.11 H new ATOM 0 HA ASP A 35 -1.992 17.220 -2.583 1.00 1.24 H new ATOM 0 HB2 ASP A 35 -4.050 18.138 -2.719 1.00 1.70 H new ATOM 0 HB3 ASP A 35 -4.859 16.585 -2.662 1.00 1.70 H new ATOM 544 N LYS A 36 -2.571 14.663 -0.617 1.00 1.04 N ATOM 545 CA LYS A 36 -2.095 13.976 0.595 1.00 1.03 C ATOM 546 C LYS A 36 -0.820 13.130 0.366 1.00 1.20 C ATOM 547 O LYS A 36 -0.363 12.918 -0.764 1.00 1.40 O ATOM 548 CB LYS A 36 -3.257 13.151 1.188 1.00 1.15 C ATOM 549 CG LYS A 36 -4.472 13.962 1.688 1.00 1.45 C ATOM 550 CD LYS A 36 -4.228 14.852 2.927 1.00 1.56 C ATOM 551 CE LYS A 36 -3.630 16.247 2.652 1.00 2.66 C ATOM 552 NZ LYS A 36 -4.651 17.240 2.262 1.00 2.76 N ATOM 0 H LYS A 36 -3.193 14.092 -1.190 1.00 1.04 H new ATOM 0 HA LYS A 36 -1.785 14.732 1.317 1.00 1.03 H new ATOM 0 HB2 LYS A 36 -3.601 12.447 0.430 1.00 1.15 H new ATOM 0 HB3 LYS A 36 -2.871 12.561 2.019 1.00 1.15 H new ATOM 0 HG2 LYS A 36 -4.821 14.596 0.873 1.00 1.45 H new ATOM 0 HG3 LYS A 36 -5.279 13.266 1.918 1.00 1.45 H new ATOM 0 HD2 LYS A 36 -5.176 14.982 3.449 1.00 1.56 H new ATOM 0 HD3 LYS A 36 -3.561 14.320 3.606 1.00 1.56 H new ATOM 0 HE2 LYS A 36 -3.111 16.597 3.544 1.00 2.66 H new ATOM 0 HE3 LYS A 36 -2.885 16.168 1.860 1.00 2.66 H new ATOM 0 HZ1 LYS A 36 -4.184 18.080 1.864 1.00 2.76 H new ATOM 0 HZ2 LYS A 36 -5.284 16.825 1.549 1.00 2.76 H new ATOM 0 HZ3 LYS A 36 -5.205 17.515 3.098 1.00 2.76 H new ATOM 566 N VAL A 37 -0.268 12.614 1.467 1.00 0.94 N ATOM 567 CA VAL A 37 0.743 11.548 1.516 1.00 0.90 C ATOM 568 C VAL A 37 -0.026 10.255 1.777 1.00 1.25 C ATOM 569 O VAL A 37 -0.898 10.225 2.645 1.00 1.69 O ATOM 570 CB VAL A 37 1.788 11.771 2.644 1.00 0.97 C ATOM 571 CG1 VAL A 37 2.915 10.727 2.565 1.00 1.03 C ATOM 572 CG2 VAL A 37 2.424 13.161 2.553 1.00 1.33 C ATOM 0 H VAL A 37 -0.525 12.943 2.397 1.00 0.94 H new ATOM 0 HA VAL A 37 1.304 11.524 0.582 1.00 0.90 H new ATOM 0 HB VAL A 37 1.252 11.675 3.588 1.00 0.97 H new ATOM 0 HG11 VAL A 37 3.633 10.905 3.365 1.00 1.03 H new ATOM 0 HG12 VAL A 37 2.493 9.728 2.672 1.00 1.03 H new ATOM 0 HG13 VAL A 37 3.418 10.807 1.602 1.00 1.03 H new ATOM 0 HG21 VAL A 37 3.150 13.282 3.357 1.00 1.33 H new ATOM 0 HG22 VAL A 37 2.926 13.269 1.592 1.00 1.33 H new ATOM 0 HG23 VAL A 37 1.649 13.922 2.645 1.00 1.33 H new ATOM 582 N VAL A 38 0.266 9.219 0.989 1.00 0.62 N ATOM 583 CA VAL A 38 -0.449 7.940 1.019 1.00 0.67 C ATOM 584 C VAL A 38 0.544 6.784 0.891 1.00 0.94 C ATOM 585 O VAL A 38 1.461 6.828 0.065 1.00 0.83 O ATOM 586 CB VAL A 38 -1.550 7.851 -0.076 1.00 0.82 C ATOM 587 CG1 VAL A 38 -2.466 6.638 0.134 1.00 1.28 C ATOM 588 CG2 VAL A 38 -2.435 9.111 -0.146 1.00 1.14 C ATOM 0 H VAL A 38 1.018 9.245 0.300 1.00 0.62 H new ATOM 0 HA VAL A 38 -0.959 7.869 1.980 1.00 0.67 H new ATOM 0 HB VAL A 38 -1.004 7.752 -1.014 1.00 0.82 H new ATOM 0 HG11 VAL A 38 -3.221 6.612 -0.652 1.00 1.28 H new ATOM 0 HG12 VAL A 38 -1.873 5.724 0.098 1.00 1.28 H new ATOM 0 HG13 VAL A 38 -2.955 6.715 1.105 1.00 1.28 H new ATOM 0 HG21 VAL A 38 -3.183 8.987 -0.929 1.00 1.14 H new ATOM 0 HG22 VAL A 38 -2.933 9.259 0.812 1.00 1.14 H new ATOM 0 HG23 VAL A 38 -1.815 9.979 -0.371 1.00 1.14 H new ATOM 598 N LEU A 39 0.308 5.744 1.692 1.00 0.63 N ATOM 599 CA LEU A 39 0.928 4.425 1.593 1.00 0.61 C ATOM 600 C LEU A 39 -0.009 3.490 0.827 1.00 1.09 C ATOM 601 O LEU A 39 -1.188 3.385 1.167 1.00 1.24 O ATOM 602 CB LEU A 39 1.155 3.864 3.011 1.00 0.69 C ATOM 603 CG LEU A 39 2.443 4.319 3.713 1.00 0.90 C ATOM 604 CD1 LEU A 39 2.402 3.823 5.166 1.00 1.99 C ATOM 605 CD2 LEU A 39 3.697 3.751 3.039 1.00 1.29 C ATOM 0 H LEU A 39 -0.354 5.803 2.466 1.00 0.63 H new ATOM 0 HA LEU A 39 1.882 4.503 1.071 1.00 0.61 H new ATOM 0 HB2 LEU A 39 0.306 4.147 3.633 1.00 0.69 H new ATOM 0 HB3 LEU A 39 1.160 2.776 2.954 1.00 0.69 H new ATOM 0 HG LEU A 39 2.495 5.406 3.659 1.00 0.90 H new ATOM 0 HD11 LEU A 39 3.309 4.136 5.683 1.00 1.99 H new ATOM 0 HD12 LEU A 39 1.533 4.245 5.670 1.00 1.99 H new ATOM 0 HD13 LEU A 39 2.335 2.735 5.177 1.00 1.99 H new ATOM 0 HD21 LEU A 39 4.584 4.099 3.569 1.00 1.29 H new ATOM 0 HD22 LEU A 39 3.662 2.662 3.065 1.00 1.29 H new ATOM 0 HD23 LEU A 39 3.738 4.088 2.003 1.00 1.29 H new ATOM 617 N LEU A 40 0.549 2.822 -0.183 1.00 0.57 N ATOM 618 CA LEU A 40 -0.101 1.787 -0.984 1.00 0.54 C ATOM 619 C LEU A 40 0.557 0.442 -0.695 1.00 0.94 C ATOM 620 O LEU A 40 1.781 0.329 -0.776 1.00 1.08 O ATOM 621 CB LEU A 40 0.044 2.128 -2.481 1.00 0.58 C ATOM 622 CG LEU A 40 -1.226 2.619 -3.181 1.00 0.96 C ATOM 623 CD1 LEU A 40 -2.337 1.568 -3.167 1.00 1.72 C ATOM 624 CD2 LEU A 40 -1.697 3.973 -2.639 1.00 2.46 C ATOM 0 H LEU A 40 1.510 2.996 -0.477 1.00 0.57 H new ATOM 0 HA LEU A 40 -1.160 1.735 -0.730 1.00 0.54 H new ATOM 0 HB2 LEU A 40 0.813 2.893 -2.587 1.00 0.58 H new ATOM 0 HB3 LEU A 40 0.403 1.241 -3.003 1.00 0.58 H new ATOM 0 HG LEU A 40 -0.965 2.778 -4.227 1.00 0.96 H new ATOM 0 HD11 LEU A 40 -3.217 1.962 -3.675 1.00 1.72 H new ATOM 0 HD12 LEU A 40 -1.994 0.669 -3.680 1.00 1.72 H new ATOM 0 HD13 LEU A 40 -2.593 1.322 -2.136 1.00 1.72 H new ATOM 0 HD21 LEU A 40 -2.600 4.281 -3.165 1.00 2.46 H new ATOM 0 HD22 LEU A 40 -1.910 3.884 -1.574 1.00 2.46 H new ATOM 0 HD23 LEU A 40 -0.916 4.718 -2.792 1.00 2.46 H new ATOM 636 N PHE A 41 -0.243 -0.581 -0.392 1.00 0.58 N ATOM 637 CA PHE A 41 0.242 -1.934 -0.101 1.00 0.62 C ATOM 638 C PHE A 41 -0.686 -3.011 -0.683 1.00 1.43 C ATOM 639 O PHE A 41 -1.915 -2.855 -0.671 1.00 1.77 O ATOM 640 CB PHE A 41 0.443 -2.087 1.415 1.00 0.62 C ATOM 641 CG PHE A 41 1.012 -3.427 1.846 1.00 0.76 C ATOM 642 CD1 PHE A 41 2.234 -3.881 1.312 1.00 1.83 C ATOM 643 CD2 PHE A 41 0.328 -4.222 2.788 1.00 2.02 C ATOM 644 CE1 PHE A 41 2.764 -5.120 1.710 1.00 1.87 C ATOM 645 CE2 PHE A 41 0.865 -5.456 3.194 1.00 1.84 C ATOM 646 CZ PHE A 41 2.084 -5.905 2.657 1.00 0.94 C ATOM 0 H PHE A 41 -1.258 -0.494 -0.341 1.00 0.58 H new ATOM 0 HA PHE A 41 1.205 -2.080 -0.591 1.00 0.62 H new ATOM 0 HB2 PHE A 41 1.109 -1.296 1.761 1.00 0.62 H new ATOM 0 HB3 PHE A 41 -0.515 -1.937 1.912 1.00 0.62 H new ATOM 0 HD1 PHE A 41 2.766 -3.274 0.594 1.00 1.83 H new ATOM 0 HD2 PHE A 41 -0.611 -3.882 3.199 1.00 2.02 H new ATOM 0 HE1 PHE A 41 3.695 -5.469 1.288 1.00 1.87 H new ATOM 0 HE2 PHE A 41 0.340 -6.060 3.919 1.00 1.84 H new ATOM 0 HZ PHE A 41 2.497 -6.852 2.972 1.00 0.94 H new ATOM 656 N PHE A 42 -0.082 -4.088 -1.206 1.00 0.94 N ATOM 657 CA PHE A 42 -0.768 -5.136 -1.962 1.00 1.01 C ATOM 658 C PHE A 42 -0.773 -6.490 -1.235 1.00 2.12 C ATOM 659 O PHE A 42 0.283 -7.070 -0.976 1.00 2.51 O ATOM 660 CB PHE A 42 -0.157 -5.226 -3.367 1.00 1.05 C ATOM 661 CG PHE A 42 -0.671 -4.145 -4.301 1.00 1.13 C ATOM 662 CD1 PHE A 42 -0.176 -2.828 -4.217 1.00 1.90 C ATOM 663 CD2 PHE A 42 -1.684 -4.450 -5.232 1.00 2.30 C ATOM 664 CE1 PHE A 42 -0.687 -1.824 -5.061 1.00 1.90 C ATOM 665 CE2 PHE A 42 -2.184 -3.451 -6.086 1.00 2.30 C ATOM 666 CZ PHE A 42 -1.689 -2.137 -5.996 1.00 1.38 C ATOM 0 H PHE A 42 0.920 -4.255 -1.111 1.00 0.94 H new ATOM 0 HA PHE A 42 -1.820 -4.864 -2.052 1.00 1.01 H new ATOM 0 HB2 PHE A 42 0.928 -5.150 -3.292 1.00 1.05 H new ATOM 0 HB3 PHE A 42 -0.379 -6.204 -3.793 1.00 1.05 H new ATOM 0 HD1 PHE A 42 0.598 -2.588 -3.503 1.00 1.90 H new ATOM 0 HD2 PHE A 42 -2.078 -5.454 -5.290 1.00 2.30 H new ATOM 0 HE1 PHE A 42 -0.310 -0.815 -4.990 1.00 1.90 H new ATOM 0 HE2 PHE A 42 -2.948 -3.692 -6.811 1.00 2.30 H new ATOM 0 HZ PHE A 42 -2.079 -1.368 -6.646 1.00 1.38 H new ATOM 676 N GLY A 43 -1.972 -6.997 -0.932 1.00 1.07 N ATOM 677 CA GLY A 43 -2.208 -8.282 -0.260 1.00 1.17 C ATOM 678 C GLY A 43 -3.421 -9.042 -0.804 1.00 1.16 C ATOM 679 O GLY A 43 -4.054 -8.637 -1.769 1.00 1.03 O ATOM 0 H GLY A 43 -2.838 -6.507 -1.156 1.00 1.07 H new ATOM 0 HA2 GLY A 43 -1.321 -8.906 -0.365 1.00 1.17 H new ATOM 0 HA3 GLY A 43 -2.348 -8.105 0.806 1.00 1.17 H new ATOM 683 N PHE A 44 -3.713 -10.186 -0.190 1.00 1.24 N ATOM 684 CA PHE A 44 -4.736 -11.145 -0.633 1.00 1.09 C ATOM 685 C PHE A 44 -5.517 -11.674 0.578 1.00 1.83 C ATOM 686 O PHE A 44 -5.595 -12.884 0.813 1.00 2.93 O ATOM 687 CB PHE A 44 -4.050 -12.240 -1.479 1.00 1.01 C ATOM 688 CG PHE A 44 -2.771 -12.839 -0.913 1.00 1.69 C ATOM 689 CD1 PHE A 44 -1.533 -12.227 -1.184 1.00 3.40 C ATOM 690 CD2 PHE A 44 -2.809 -14.022 -0.151 1.00 2.83 C ATOM 691 CE1 PHE A 44 -0.344 -12.784 -0.685 1.00 4.99 C ATOM 692 CE2 PHE A 44 -1.618 -14.591 0.335 1.00 4.20 C ATOM 693 CZ PHE A 44 -0.384 -13.972 0.060 1.00 5.14 C ATOM 0 H PHE A 44 -3.231 -10.486 0.658 1.00 1.24 H new ATOM 0 HA PHE A 44 -5.481 -10.671 -1.273 1.00 1.09 H new ATOM 0 HB2 PHE A 44 -4.765 -13.048 -1.634 1.00 1.01 H new ATOM 0 HB3 PHE A 44 -3.825 -11.821 -2.460 1.00 1.01 H new ATOM 0 HD1 PHE A 44 -1.497 -11.326 -1.778 1.00 3.40 H new ATOM 0 HD2 PHE A 44 -3.757 -14.495 0.061 1.00 2.83 H new ATOM 0 HE1 PHE A 44 0.601 -12.298 -0.875 1.00 4.99 H new ATOM 0 HE2 PHE A 44 -1.650 -15.500 0.917 1.00 4.20 H new ATOM 0 HZ PHE A 44 0.533 -14.412 0.423 1.00 5.14 H new ATOM 703 N THR A 45 -5.958 -10.729 1.425 1.00 1.03 N ATOM 704 CA THR A 45 -6.092 -10.853 2.893 1.00 1.06 C ATOM 705 C THR A 45 -5.313 -12.042 3.435 1.00 1.43 C ATOM 706 O THR A 45 -4.087 -11.970 3.465 1.00 2.42 O ATOM 707 CB THR A 45 -7.549 -10.756 3.369 1.00 1.20 C ATOM 708 OG1 THR A 45 -8.413 -11.491 2.538 1.00 1.76 O ATOM 709 CG2 THR A 45 -7.986 -9.300 3.410 1.00 1.13 C ATOM 0 H THR A 45 -6.246 -9.809 1.091 1.00 1.03 H new ATOM 0 HA THR A 45 -5.616 -9.981 3.341 1.00 1.06 H new ATOM 0 HB THR A 45 -7.603 -11.182 4.371 1.00 1.20 H new ATOM 0 HG1 THR A 45 -8.848 -10.886 1.901 1.00 1.76 H new ATOM 0 HG21 THR A 45 -9.020 -9.240 3.749 1.00 1.13 H new ATOM 0 HG22 THR A 45 -7.346 -8.747 4.098 1.00 1.13 H new ATOM 0 HG23 THR A 45 -7.905 -8.868 2.413 1.00 1.13 H new ATOM 717 N ARG A 46 -6.003 -13.116 3.847 1.00 1.79 N ATOM 718 CA ARG A 46 -5.490 -14.422 4.304 1.00 1.98 C ATOM 719 C ARG A 46 -4.510 -14.336 5.483 1.00 2.96 C ATOM 720 O ARG A 46 -4.816 -14.843 6.555 1.00 4.36 O ATOM 721 CB ARG A 46 -4.910 -15.221 3.112 1.00 1.96 C ATOM 722 CG ARG A 46 -4.733 -16.738 3.345 1.00 2.58 C ATOM 723 CD ARG A 46 -3.660 -17.148 4.371 1.00 3.96 C ATOM 724 NE ARG A 46 -3.421 -18.601 4.362 1.00 4.53 N ATOM 725 CZ ARG A 46 -2.730 -19.290 5.268 1.00 5.76 C ATOM 726 NH1 ARG A 46 -2.150 -18.722 6.304 1.00 6.75 N ATOM 727 NH2 ARG A 46 -2.605 -20.594 5.137 1.00 6.50 N ATOM 0 H ARG A 46 -7.022 -13.094 3.872 1.00 1.79 H new ATOM 0 HA ARG A 46 -6.344 -14.968 4.705 1.00 1.98 H new ATOM 0 HB2 ARG A 46 -5.563 -15.078 2.251 1.00 1.96 H new ATOM 0 HB3 ARG A 46 -3.940 -14.797 2.851 1.00 1.96 H new ATOM 0 HG2 ARG A 46 -5.690 -17.149 3.667 1.00 2.58 H new ATOM 0 HG3 ARG A 46 -4.491 -17.205 2.391 1.00 2.58 H new ATOM 0 HD2 ARG A 46 -2.729 -16.625 4.152 1.00 3.96 H new ATOM 0 HD3 ARG A 46 -3.973 -16.837 5.368 1.00 3.96 H new ATOM 0 HE ARG A 46 -3.823 -19.130 3.588 1.00 4.53 H new ATOM 0 HH11 ARG A 46 -2.220 -17.713 6.438 1.00 6.75 H new ATOM 0 HH12 ARG A 46 -1.631 -19.291 6.973 1.00 6.75 H new ATOM 0 HH21 ARG A 46 -3.036 -21.071 4.345 1.00 6.50 H new ATOM 0 HH22 ARG A 46 -2.077 -21.128 5.828 1.00 6.50 H new ATOM 741 N CYS A 47 -3.305 -13.804 5.240 1.00 2.38 N ATOM 742 CA CYS A 47 -2.106 -13.698 6.083 1.00 3.11 C ATOM 743 C CYS A 47 -1.233 -14.965 5.935 1.00 2.27 C ATOM 744 O CYS A 47 -1.612 -16.003 6.484 1.00 2.70 O ATOM 745 CB CYS A 47 -2.439 -13.395 7.559 1.00 4.72 C ATOM 746 SG CYS A 47 -3.490 -11.918 7.689 1.00 6.24 S ATOM 0 H CYS A 47 -3.125 -13.383 4.328 1.00 2.38 H new ATOM 0 HA CYS A 47 -1.531 -12.842 5.730 1.00 3.11 H new ATOM 0 HB2 CYS A 47 -2.947 -14.250 8.005 1.00 4.72 H new ATOM 0 HB3 CYS A 47 -1.518 -13.243 8.121 1.00 4.72 H new ATOM 0 HG CYS A 47 -3.758 -11.685 8.939 1.00 6.24 H new ATOM 752 N PRO A 48 -0.124 -14.929 5.167 1.00 1.64 N ATOM 753 CA PRO A 48 0.887 -15.977 5.198 1.00 1.67 C ATOM 754 C PRO A 48 1.751 -15.775 6.447 1.00 1.78 C ATOM 755 O PRO A 48 1.761 -16.648 7.305 1.00 2.44 O ATOM 756 CB PRO A 48 1.649 -15.849 3.876 1.00 2.46 C ATOM 757 CG PRO A 48 1.546 -14.364 3.532 1.00 2.60 C ATOM 758 CD PRO A 48 0.245 -13.901 4.198 1.00 2.40 C ATOM 0 HA PRO A 48 0.489 -16.989 5.273 1.00 1.67 H new ATOM 0 HB2 PRO A 48 2.687 -16.163 3.982 1.00 2.46 H new ATOM 0 HB3 PRO A 48 1.206 -16.471 3.098 1.00 2.46 H new ATOM 0 HG2 PRO A 48 2.404 -13.809 3.911 1.00 2.60 H new ATOM 0 HG3 PRO A 48 1.516 -14.208 2.454 1.00 2.60 H new ATOM 0 HD2 PRO A 48 0.384 -12.938 4.690 1.00 2.40 H new ATOM 0 HD3 PRO A 48 -0.543 -13.769 3.456 1.00 2.40 H new ATOM 766 N ASP A 49 2.368 -14.594 6.596 1.00 1.19 N ATOM 767 CA ASP A 49 2.932 -14.083 7.854 1.00 1.21 C ATOM 768 C ASP A 49 2.809 -12.551 7.789 1.00 1.12 C ATOM 769 O ASP A 49 1.872 -11.994 8.336 1.00 1.52 O ATOM 770 CB ASP A 49 4.380 -14.582 8.033 1.00 1.46 C ATOM 771 CG ASP A 49 5.047 -14.016 9.295 1.00 2.34 C ATOM 772 OD1 ASP A 49 5.293 -12.786 9.290 1.00 3.20 O ATOM 773 OD2 ASP A 49 5.307 -14.812 10.223 1.00 3.21 O ATOM 0 H ASP A 49 2.492 -13.946 5.818 1.00 1.19 H new ATOM 0 HA ASP A 49 2.398 -14.448 8.732 1.00 1.21 H new ATOM 0 HB2 ASP A 49 4.382 -15.671 8.083 1.00 1.46 H new ATOM 0 HB3 ASP A 49 4.968 -14.302 7.159 1.00 1.46 H new ATOM 778 N VAL A 50 3.655 -11.941 6.956 1.00 1.05 N ATOM 779 CA VAL A 50 3.845 -10.531 6.550 1.00 1.14 C ATOM 780 C VAL A 50 2.652 -9.547 6.579 1.00 1.39 C ATOM 781 O VAL A 50 2.855 -8.339 6.608 1.00 1.61 O ATOM 782 CB VAL A 50 4.460 -10.565 5.126 1.00 1.24 C ATOM 783 CG1 VAL A 50 3.407 -10.845 4.035 1.00 1.45 C ATOM 784 CG2 VAL A 50 5.247 -9.311 4.758 1.00 1.92 C ATOM 0 H VAL A 50 4.339 -12.518 6.466 1.00 1.05 H new ATOM 0 HA VAL A 50 4.475 -10.107 7.332 1.00 1.14 H new ATOM 0 HB VAL A 50 5.166 -11.395 5.165 1.00 1.24 H new ATOM 0 HG11 VAL A 50 3.890 -10.858 3.058 1.00 1.45 H new ATOM 0 HG12 VAL A 50 2.938 -11.811 4.221 1.00 1.45 H new ATOM 0 HG13 VAL A 50 2.647 -10.064 4.054 1.00 1.45 H new ATOM 0 HG21 VAL A 50 5.644 -9.414 3.748 1.00 1.92 H new ATOM 0 HG22 VAL A 50 4.590 -8.443 4.803 1.00 1.92 H new ATOM 0 HG23 VAL A 50 6.070 -9.179 5.460 1.00 1.92 H new ATOM 794 N CYS A 51 1.402 -10.011 6.557 1.00 1.33 N ATOM 795 CA CYS A 51 0.211 -9.153 6.514 1.00 1.33 C ATOM 796 C CYS A 51 -0.026 -8.396 7.844 1.00 1.54 C ATOM 797 O CYS A 51 -0.065 -7.163 7.796 1.00 1.63 O ATOM 798 CB CYS A 51 -0.971 -9.988 6.002 1.00 1.57 C ATOM 799 SG CYS A 51 -0.682 -10.377 4.251 1.00 1.90 S ATOM 0 H CYS A 51 1.182 -11.007 6.569 1.00 1.33 H new ATOM 0 HA CYS A 51 0.354 -8.337 5.806 1.00 1.33 H new ATOM 0 HB2 CYS A 51 -1.068 -10.905 6.583 1.00 1.57 H new ATOM 0 HB3 CYS A 51 -1.904 -9.437 6.119 1.00 1.57 H new ATOM 0 HG CYS A 51 -1.671 -11.087 3.795 1.00 1.90 H new ATOM 805 N PRO A 52 -0.173 -9.052 9.011 1.00 1.34 N ATOM 806 CA PRO A 52 -0.098 -8.374 10.297 1.00 1.45 C ATOM 807 C PRO A 52 1.284 -7.781 10.571 1.00 1.46 C ATOM 808 O PRO A 52 1.338 -6.684 11.122 1.00 1.45 O ATOM 809 CB PRO A 52 -0.487 -9.415 11.357 1.00 1.83 C ATOM 810 CG PRO A 52 -0.255 -10.752 10.657 1.00 1.79 C ATOM 811 CD PRO A 52 -0.643 -10.410 9.223 1.00 1.61 C ATOM 0 HA PRO A 52 -0.775 -7.520 10.313 1.00 1.45 H new ATOM 0 HB2 PRO A 52 0.126 -9.321 12.254 1.00 1.83 H new ATOM 0 HB3 PRO A 52 -1.526 -9.301 11.667 1.00 1.83 H new ATOM 0 HG2 PRO A 52 0.781 -11.082 10.735 1.00 1.79 H new ATOM 0 HG3 PRO A 52 -0.875 -11.546 11.072 1.00 1.79 H new ATOM 0 HD2 PRO A 52 -0.183 -11.100 8.516 1.00 1.61 H new ATOM 0 HD3 PRO A 52 -1.721 -10.480 9.080 1.00 1.61 H new ATOM 819 N THR A 53 2.378 -8.460 10.182 1.00 0.92 N ATOM 820 CA THR A 53 3.763 -8.064 10.484 1.00 0.87 C ATOM 821 C THR A 53 4.084 -6.684 9.906 1.00 1.04 C ATOM 822 O THR A 53 4.269 -5.731 10.672 1.00 1.07 O ATOM 823 CB THR A 53 4.740 -9.155 9.992 1.00 0.89 C ATOM 824 OG1 THR A 53 4.164 -10.428 10.223 1.00 1.88 O ATOM 825 CG2 THR A 53 6.075 -9.091 10.731 1.00 1.45 C ATOM 0 H THR A 53 2.321 -9.320 9.636 1.00 0.92 H new ATOM 0 HA THR A 53 3.881 -7.976 11.564 1.00 0.87 H new ATOM 0 HB THR A 53 4.921 -8.989 8.930 1.00 0.89 H new ATOM 0 HG1 THR A 53 4.721 -11.119 9.807 1.00 1.88 H new ATOM 0 HG21 THR A 53 6.735 -9.874 10.358 1.00 1.45 H new ATOM 0 HG22 THR A 53 6.536 -8.117 10.565 1.00 1.45 H new ATOM 0 HG23 THR A 53 5.907 -9.236 11.798 1.00 1.45 H new ATOM 833 N THR A 54 4.007 -6.534 8.575 1.00 0.81 N ATOM 834 CA THR A 54 4.209 -5.260 7.868 1.00 0.81 C ATOM 835 C THR A 54 3.212 -4.215 8.325 1.00 1.02 C ATOM 836 O THR A 54 3.636 -3.104 8.617 1.00 1.12 O ATOM 837 CB THR A 54 4.208 -5.445 6.343 1.00 0.78 C ATOM 838 OG1 THR A 54 5.408 -6.062 5.950 1.00 1.12 O ATOM 839 CG2 THR A 54 4.155 -4.139 5.551 1.00 0.84 C ATOM 0 H THR A 54 3.798 -7.311 7.947 1.00 0.81 H new ATOM 0 HA THR A 54 5.200 -4.891 8.130 1.00 0.81 H new ATOM 0 HB THR A 54 3.313 -6.030 6.130 1.00 0.78 H new ATOM 0 HG1 THR A 54 5.602 -6.812 6.550 1.00 1.12 H new ATOM 0 HG21 THR A 54 4.158 -4.360 4.484 1.00 0.84 H new ATOM 0 HG22 THR A 54 3.246 -3.595 5.806 1.00 0.84 H new ATOM 0 HG23 THR A 54 5.024 -3.529 5.797 1.00 0.84 H new ATOM 847 N LEU A 55 1.909 -4.508 8.447 1.00 0.89 N ATOM 848 CA LEU A 55 0.968 -3.457 8.857 1.00 1.01 C ATOM 849 C LEU A 55 1.217 -2.946 10.280 1.00 1.53 C ATOM 850 O LEU A 55 1.013 -1.757 10.502 1.00 1.80 O ATOM 851 CB LEU A 55 -0.504 -3.884 8.713 1.00 1.10 C ATOM 852 CG LEU A 55 -1.066 -3.981 7.283 1.00 1.11 C ATOM 853 CD1 LEU A 55 -2.605 -3.980 7.341 1.00 1.91 C ATOM 854 CD2 LEU A 55 -0.591 -2.862 6.348 1.00 1.93 C ATOM 0 H LEU A 55 1.495 -5.425 8.276 1.00 0.89 H new ATOM 0 HA LEU A 55 1.159 -2.637 8.165 1.00 1.01 H new ATOM 0 HB2 LEU A 55 -0.623 -4.857 9.191 1.00 1.10 H new ATOM 0 HB3 LEU A 55 -1.118 -3.177 9.271 1.00 1.10 H new ATOM 0 HG LEU A 55 -0.685 -4.912 6.864 1.00 1.11 H new ATOM 0 HD11 LEU A 55 -3.007 -4.049 6.330 1.00 1.91 H new ATOM 0 HD12 LEU A 55 -2.948 -4.833 7.927 1.00 1.91 H new ATOM 0 HD13 LEU A 55 -2.951 -3.058 7.807 1.00 1.91 H new ATOM 0 HD21 LEU A 55 -1.031 -3.002 5.361 1.00 1.93 H new ATOM 0 HD22 LEU A 55 -0.900 -1.897 6.750 1.00 1.93 H new ATOM 0 HD23 LEU A 55 0.496 -2.891 6.268 1.00 1.93 H new ATOM 866 N LEU A 56 1.677 -3.778 11.225 1.00 1.04 N ATOM 867 CA LEU A 56 2.048 -3.341 12.577 1.00 1.08 C ATOM 868 C LEU A 56 3.320 -2.474 12.575 1.00 1.41 C ATOM 869 O LEU A 56 3.422 -1.552 13.383 1.00 1.64 O ATOM 870 CB LEU A 56 2.223 -4.576 13.484 1.00 1.05 C ATOM 871 CG LEU A 56 2.207 -4.237 14.987 1.00 1.39 C ATOM 872 CD1 LEU A 56 0.787 -3.945 15.500 1.00 2.21 C ATOM 873 CD2 LEU A 56 2.811 -5.394 15.795 1.00 1.65 C ATOM 0 H LEU A 56 1.803 -4.779 11.071 1.00 1.04 H new ATOM 0 HA LEU A 56 1.245 -2.716 12.967 1.00 1.08 H new ATOM 0 HB2 LEU A 56 1.427 -5.290 13.271 1.00 1.05 H new ATOM 0 HB3 LEU A 56 3.165 -5.067 13.240 1.00 1.05 H new ATOM 0 HG LEU A 56 2.805 -3.335 15.120 1.00 1.39 H new ATOM 0 HD11 LEU A 56 0.825 -3.711 16.564 1.00 2.21 H new ATOM 0 HD12 LEU A 56 0.371 -3.096 14.957 1.00 2.21 H new ATOM 0 HD13 LEU A 56 0.156 -4.820 15.343 1.00 2.21 H new ATOM 0 HD21 LEU A 56 2.795 -5.144 16.856 1.00 1.65 H new ATOM 0 HD22 LEU A 56 2.227 -6.299 15.626 1.00 1.65 H new ATOM 0 HD23 LEU A 56 3.840 -5.561 15.477 1.00 1.65 H new ATOM 885 N ALA A 57 4.261 -2.727 11.661 1.00 0.99 N ATOM 886 CA ALA A 57 5.402 -1.842 11.424 1.00 1.01 C ATOM 887 C ALA A 57 4.974 -0.526 10.753 1.00 1.06 C ATOM 888 O ALA A 57 5.257 0.548 11.290 1.00 1.25 O ATOM 889 CB ALA A 57 6.453 -2.596 10.605 1.00 0.97 C ATOM 0 H ALA A 57 4.252 -3.554 11.064 1.00 0.99 H new ATOM 0 HA ALA A 57 5.841 -1.557 12.380 1.00 1.01 H new ATOM 0 HB1 ALA A 57 7.308 -1.945 10.423 1.00 0.97 H new ATOM 0 HB2 ALA A 57 6.779 -3.478 11.156 1.00 0.97 H new ATOM 0 HB3 ALA A 57 6.021 -2.903 9.652 1.00 0.97 H new ATOM 895 N LEU A 58 4.259 -0.590 9.617 1.00 1.04 N ATOM 896 CA LEU A 58 3.749 0.571 8.878 1.00 1.14 C ATOM 897 C LEU A 58 2.962 1.492 9.804 1.00 1.51 C ATOM 898 O LEU A 58 3.327 2.658 9.934 1.00 1.77 O ATOM 899 CB LEU A 58 2.880 0.153 7.672 1.00 1.11 C ATOM 900 CG LEU A 58 3.606 -0.515 6.486 1.00 1.35 C ATOM 901 CD1 LEU A 58 2.629 -0.686 5.310 1.00 1.42 C ATOM 902 CD2 LEU A 58 4.824 0.277 6.009 1.00 1.96 C ATOM 0 H LEU A 58 4.015 -1.477 9.177 1.00 1.04 H new ATOM 0 HA LEU A 58 4.612 1.111 8.489 1.00 1.14 H new ATOM 0 HB2 LEU A 58 2.112 -0.533 8.029 1.00 1.11 H new ATOM 0 HB3 LEU A 58 2.367 1.040 7.300 1.00 1.11 H new ATOM 0 HG LEU A 58 3.962 -1.482 6.840 1.00 1.35 H new ATOM 0 HD11 LEU A 58 3.145 -1.158 4.474 1.00 1.42 H new ATOM 0 HD12 LEU A 58 1.792 -1.312 5.620 1.00 1.42 H new ATOM 0 HD13 LEU A 58 2.256 0.291 5.001 1.00 1.42 H new ATOM 0 HD21 LEU A 58 5.292 -0.243 5.173 1.00 1.96 H new ATOM 0 HD22 LEU A 58 4.509 1.270 5.688 1.00 1.96 H new ATOM 0 HD23 LEU A 58 5.540 0.370 6.825 1.00 1.96 H new ATOM 914 N LYS A 59 1.964 0.986 10.532 1.00 1.18 N ATOM 915 CA LYS A 59 1.210 1.797 11.493 1.00 1.28 C ATOM 916 C LYS A 59 2.107 2.385 12.595 1.00 1.54 C ATOM 917 O LYS A 59 1.912 3.542 12.964 1.00 1.71 O ATOM 918 CB LYS A 59 0.011 0.997 12.038 1.00 1.35 C ATOM 919 CG LYS A 59 0.391 -0.199 12.917 1.00 1.60 C ATOM 920 CD LYS A 59 0.333 -0.022 14.436 1.00 1.83 C ATOM 921 CE LYS A 59 -1.052 -0.371 14.995 1.00 1.26 C ATOM 922 NZ LYS A 59 -2.066 0.649 14.650 1.00 2.34 N ATOM 0 H LYS A 59 1.658 0.015 10.474 1.00 1.18 H new ATOM 0 HA LYS A 59 0.808 2.665 10.971 1.00 1.28 H new ATOM 0 HB2 LYS A 59 -0.625 1.668 12.615 1.00 1.35 H new ATOM 0 HB3 LYS A 59 -0.583 0.639 11.197 1.00 1.35 H new ATOM 0 HG2 LYS A 59 -0.264 -1.029 12.652 1.00 1.60 H new ATOM 0 HG3 LYS A 59 1.406 -0.497 12.654 1.00 1.60 H new ATOM 0 HD2 LYS A 59 1.085 -0.656 14.905 1.00 1.83 H new ATOM 0 HD3 LYS A 59 0.580 1.008 14.692 1.00 1.83 H new ATOM 0 HE2 LYS A 59 -1.366 -1.339 14.605 1.00 1.26 H new ATOM 0 HE3 LYS A 59 -0.991 -0.468 16.079 1.00 1.26 H new ATOM 0 HZ1 LYS A 59 -2.978 0.390 15.076 1.00 2.34 H new ATOM 0 HZ2 LYS A 59 -1.764 1.575 15.014 1.00 2.34 H new ATOM 0 HZ3 LYS A 59 -2.169 0.700 13.616 1.00 2.34 H new ATOM 936 N ARG A 60 3.124 1.661 13.091 1.00 1.33 N ATOM 937 CA ARG A 60 4.083 2.192 14.078 1.00 1.42 C ATOM 938 C ARG A 60 5.055 3.241 13.529 1.00 1.82 C ATOM 939 O ARG A 60 5.618 3.998 14.327 1.00 2.05 O ATOM 940 CB ARG A 60 4.874 1.051 14.746 1.00 1.25 C ATOM 941 CG ARG A 60 4.135 0.426 15.938 1.00 1.46 C ATOM 942 CD ARG A 60 3.968 1.438 17.086 1.00 2.22 C ATOM 943 NE ARG A 60 3.447 0.806 18.306 1.00 2.51 N ATOM 944 CZ ARG A 60 4.156 0.252 19.283 1.00 3.09 C ATOM 945 NH1 ARG A 60 5.469 0.142 19.248 1.00 3.18 N ATOM 946 NH2 ARG A 60 3.523 -0.218 20.330 1.00 4.30 N ATOM 0 H ARG A 60 3.305 0.694 12.821 1.00 1.33 H new ATOM 0 HA ARG A 60 3.466 2.707 14.814 1.00 1.42 H new ATOM 0 HB2 ARG A 60 5.079 0.277 14.006 1.00 1.25 H new ATOM 0 HB3 ARG A 60 5.838 1.433 15.083 1.00 1.25 H new ATOM 0 HG2 ARG A 60 3.155 0.073 15.616 1.00 1.46 H new ATOM 0 HG3 ARG A 60 4.686 -0.444 16.295 1.00 1.46 H new ATOM 0 HD2 ARG A 60 4.930 1.904 17.301 1.00 2.22 H new ATOM 0 HD3 ARG A 60 3.292 2.233 16.773 1.00 2.22 H new ATOM 0 HE ARG A 60 2.433 0.791 18.414 1.00 2.51 H new ATOM 0 HH11 ARG A 60 5.989 0.491 18.443 1.00 3.18 H new ATOM 0 HH12 ARG A 60 5.965 -0.293 20.026 1.00 3.18 H new ATOM 0 HH21 ARG A 60 2.506 -0.154 20.382 1.00 4.30 H new ATOM 0 HH22 ARG A 60 4.047 -0.648 21.092 1.00 4.30 H new ATOM 960 N ALA A 61 5.279 3.291 12.215 1.00 1.49 N ATOM 961 CA ALA A 61 5.901 4.438 11.566 1.00 1.59 C ATOM 962 C ALA A 61 4.927 5.621 11.472 1.00 1.72 C ATOM 963 O ALA A 61 5.260 6.732 11.875 1.00 1.80 O ATOM 964 CB ALA A 61 6.464 4.013 10.203 1.00 1.63 C ATOM 0 H ALA A 61 5.033 2.536 11.574 1.00 1.49 H new ATOM 0 HA ALA A 61 6.736 4.791 12.172 1.00 1.59 H new ATOM 0 HB1 ALA A 61 6.929 4.871 9.718 1.00 1.63 H new ATOM 0 HB2 ALA A 61 7.208 3.229 10.345 1.00 1.63 H new ATOM 0 HB3 ALA A 61 5.655 3.636 9.577 1.00 1.63 H new ATOM 970 N TYR A 62 3.717 5.368 10.971 1.00 1.75 N ATOM 971 CA TYR A 62 2.725 6.406 10.669 1.00 2.05 C ATOM 972 C TYR A 62 2.200 7.122 11.911 1.00 2.19 C ATOM 973 O TYR A 62 2.247 8.349 12.007 1.00 2.50 O ATOM 974 CB TYR A 62 1.552 5.763 9.914 1.00 2.14 C ATOM 975 CG TYR A 62 1.299 6.374 8.567 1.00 3.60 C ATOM 976 CD1 TYR A 62 2.300 6.328 7.587 1.00 5.29 C ATOM 977 CD2 TYR A 62 0.043 6.938 8.292 1.00 4.00 C ATOM 978 CE1 TYR A 62 2.051 6.853 6.307 1.00 6.75 C ATOM 979 CE2 TYR A 62 -0.240 7.363 6.977 1.00 5.46 C ATOM 980 CZ TYR A 62 0.767 7.333 5.984 1.00 6.66 C ATOM 981 OH TYR A 62 0.517 7.714 4.703 1.00 8.19 O ATOM 0 H TYR A 62 3.392 4.424 10.760 1.00 1.75 H new ATOM 0 HA TYR A 62 3.222 7.162 10.061 1.00 2.05 H new ATOM 0 HB2 TYR A 62 1.750 4.698 9.790 1.00 2.14 H new ATOM 0 HB3 TYR A 62 0.649 5.850 10.519 1.00 2.14 H new ATOM 0 HD1 TYR A 62 3.261 5.890 7.815 1.00 5.29 H new ATOM 0 HD2 TYR A 62 -0.694 7.045 9.074 1.00 4.00 H new ATOM 0 HE1 TYR A 62 2.842 6.888 5.573 1.00 6.75 H new ATOM 0 HE2 TYR A 62 -1.231 7.713 6.727 1.00 5.46 H new ATOM 0 HH TYR A 62 -0.405 7.481 4.466 1.00 8.19 H new ATOM 991 N GLU A 63 1.692 6.348 12.867 1.00 1.86 N ATOM 992 CA GLU A 63 0.942 6.857 14.009 1.00 2.09 C ATOM 993 C GLU A 63 1.858 7.661 14.961 1.00 1.99 C ATOM 994 O GLU A 63 1.394 8.425 15.798 1.00 2.43 O ATOM 995 CB GLU A 63 0.259 5.688 14.750 1.00 2.22 C ATOM 996 CG GLU A 63 -0.830 5.019 13.887 1.00 2.73 C ATOM 997 CD GLU A 63 -1.352 3.676 14.404 1.00 3.04 C ATOM 998 OE1 GLU A 63 -0.730 3.008 15.267 1.00 2.73 O ATOM 999 OE2 GLU A 63 -2.362 3.196 13.849 1.00 4.11 O ATOM 0 H GLU A 63 1.792 5.333 12.869 1.00 1.86 H new ATOM 0 HA GLU A 63 0.172 7.538 13.647 1.00 2.09 H new ATOM 0 HB2 GLU A 63 1.008 4.947 15.028 1.00 2.22 H new ATOM 0 HB3 GLU A 63 -0.185 6.055 15.675 1.00 2.22 H new ATOM 0 HG2 GLU A 63 -1.672 5.706 13.799 1.00 2.73 H new ATOM 0 HG3 GLU A 63 -0.433 4.872 12.883 1.00 2.73 H new ATOM 1006 N LYS A 64 3.182 7.499 14.827 1.00 1.36 N ATOM 1007 CA LYS A 64 4.214 8.261 15.537 1.00 1.24 C ATOM 1008 C LYS A 64 4.335 9.732 15.066 1.00 1.40 C ATOM 1009 O LYS A 64 4.939 10.542 15.774 1.00 1.54 O ATOM 1010 CB LYS A 64 5.520 7.462 15.333 1.00 1.22 C ATOM 1011 CG LYS A 64 6.745 7.923 16.144 1.00 1.92 C ATOM 1012 CD LYS A 64 8.013 7.154 15.726 1.00 2.73 C ATOM 1013 CE LYS A 64 7.982 5.673 16.139 1.00 3.13 C ATOM 1014 NZ LYS A 64 9.099 4.893 15.545 1.00 4.30 N ATOM 0 H LYS A 64 3.577 6.804 14.194 1.00 1.36 H new ATOM 0 HA LYS A 64 3.962 8.361 16.593 1.00 1.24 H new ATOM 0 HB2 LYS A 64 5.323 6.418 15.578 1.00 1.22 H new ATOM 0 HB3 LYS A 64 5.779 7.497 14.275 1.00 1.22 H new ATOM 0 HG2 LYS A 64 6.900 8.992 15.997 1.00 1.92 H new ATOM 0 HG3 LYS A 64 6.558 7.771 17.207 1.00 1.92 H new ATOM 0 HD2 LYS A 64 8.132 7.221 14.645 1.00 2.73 H new ATOM 0 HD3 LYS A 64 8.885 7.632 16.173 1.00 2.73 H new ATOM 0 HE2 LYS A 64 8.030 5.601 17.226 1.00 3.13 H new ATOM 0 HE3 LYS A 64 7.033 5.233 15.832 1.00 3.13 H new ATOM 0 HZ1 LYS A 64 9.244 4.021 16.093 1.00 4.30 H new ATOM 0 HZ2 LYS A 64 8.867 4.649 14.561 1.00 4.30 H new ATOM 0 HZ3 LYS A 64 9.969 5.463 15.564 1.00 4.30 H new ATOM 1028 N LEU A 65 3.826 10.097 13.878 1.00 1.45 N ATOM 1029 CA LEU A 65 3.960 11.448 13.307 1.00 1.55 C ATOM 1030 C LEU A 65 3.303 12.523 14.203 1.00 1.88 C ATOM 1031 O LEU A 65 2.249 12.262 14.790 1.00 2.07 O ATOM 1032 CB LEU A 65 3.376 11.470 11.877 1.00 1.65 C ATOM 1033 CG LEU A 65 4.198 10.703 10.820 1.00 1.95 C ATOM 1034 CD1 LEU A 65 3.382 10.601 9.524 1.00 2.25 C ATOM 1035 CD2 LEU A 65 5.543 11.393 10.533 1.00 2.35 C ATOM 0 H LEU A 65 3.304 9.456 13.280 1.00 1.45 H new ATOM 0 HA LEU A 65 5.021 11.694 13.258 1.00 1.55 H new ATOM 0 HB2 LEU A 65 2.370 11.051 11.906 1.00 1.65 H new ATOM 0 HB3 LEU A 65 3.280 12.507 11.557 1.00 1.65 H new ATOM 0 HG LEU A 65 4.413 9.709 11.211 1.00 1.95 H new ATOM 0 HD11 LEU A 65 3.958 10.060 8.773 1.00 2.25 H new ATOM 0 HD12 LEU A 65 2.451 10.069 9.721 1.00 2.25 H new ATOM 0 HD13 LEU A 65 3.156 11.602 9.156 1.00 2.25 H new ATOM 0 HD21 LEU A 65 6.092 10.823 9.784 1.00 2.35 H new ATOM 0 HD22 LEU A 65 5.362 12.401 10.161 1.00 2.35 H new ATOM 0 HD23 LEU A 65 6.129 11.445 11.451 1.00 2.35 H new ATOM 1047 N PRO A 66 3.892 13.734 14.323 1.00 1.82 N ATOM 1048 CA PRO A 66 3.389 14.762 15.224 1.00 2.02 C ATOM 1049 C PRO A 66 2.012 15.251 14.773 1.00 2.12 C ATOM 1050 O PRO A 66 1.735 15.229 13.568 1.00 2.05 O ATOM 1051 CB PRO A 66 4.413 15.900 15.198 1.00 2.25 C ATOM 1052 CG PRO A 66 5.100 15.735 13.846 1.00 2.14 C ATOM 1053 CD PRO A 66 5.048 14.229 13.594 1.00 1.88 C ATOM 0 HA PRO A 66 3.265 14.374 16.235 1.00 2.02 H new ATOM 0 HB2 PRO A 66 3.932 16.874 15.287 1.00 2.25 H new ATOM 0 HB3 PRO A 66 5.123 15.819 16.021 1.00 2.25 H new ATOM 0 HG2 PRO A 66 4.582 16.290 13.064 1.00 2.14 H new ATOM 0 HG3 PRO A 66 6.126 16.102 13.871 1.00 2.14 H new ATOM 0 HD2 PRO A 66 4.957 14.016 12.529 1.00 1.88 H new ATOM 0 HD3 PRO A 66 5.962 13.745 13.939 1.00 1.88 H new ATOM 1061 N PRO A 67 1.180 15.763 15.701 1.00 2.26 N ATOM 1062 CA PRO A 67 -0.188 16.184 15.426 1.00 2.39 C ATOM 1063 C PRO A 67 -0.301 17.328 14.411 1.00 2.56 C ATOM 1064 O PRO A 67 -1.405 17.582 13.942 1.00 2.74 O ATOM 1065 CB PRO A 67 -0.792 16.562 16.785 1.00 2.64 C ATOM 1066 CG PRO A 67 0.422 16.921 17.636 1.00 2.70 C ATOM 1067 CD PRO A 67 1.480 15.953 17.115 1.00 2.47 C ATOM 0 HA PRO A 67 -0.733 15.370 14.949 1.00 2.39 H new ATOM 0 HB2 PRO A 67 -1.481 17.402 16.697 1.00 2.64 H new ATOM 0 HB3 PRO A 67 -1.353 15.734 17.218 1.00 2.64 H new ATOM 0 HG2 PRO A 67 0.720 17.961 17.501 1.00 2.70 H new ATOM 0 HG3 PRO A 67 0.230 16.780 18.700 1.00 2.70 H new ATOM 0 HD2 PRO A 67 2.483 16.359 17.251 1.00 2.47 H new ATOM 0 HD3 PRO A 67 1.443 15.006 17.654 1.00 2.47 H new ATOM 1075 N LYS A 68 0.805 17.976 14.004 1.00 2.42 N ATOM 1076 CA LYS A 68 0.754 18.823 12.810 1.00 2.36 C ATOM 1077 C LYS A 68 0.793 17.954 11.545 1.00 2.00 C ATOM 1078 O LYS A 68 -0.130 17.988 10.742 1.00 1.74 O ATOM 1079 CB LYS A 68 1.865 19.888 12.844 1.00 2.58 C ATOM 1080 CG LYS A 68 1.866 20.619 11.493 1.00 3.54 C ATOM 1081 CD LYS A 68 2.491 22.016 11.528 1.00 4.76 C ATOM 1082 CE LYS A 68 2.639 22.597 10.110 1.00 5.89 C ATOM 1083 NZ LYS A 68 1.369 22.580 9.342 1.00 5.80 N ATOM 0 H LYS A 68 1.712 17.931 14.468 1.00 2.42 H new ATOM 0 HA LYS A 68 -0.189 19.369 12.794 1.00 2.36 H new ATOM 0 HB2 LYS A 68 1.692 20.592 13.658 1.00 2.58 H new ATOM 0 HB3 LYS A 68 2.834 19.422 13.026 1.00 2.58 H new ATOM 0 HG2 LYS A 68 2.405 20.012 10.766 1.00 3.54 H new ATOM 0 HG3 LYS A 68 0.839 20.703 11.139 1.00 3.54 H new ATOM 0 HD2 LYS A 68 1.872 22.679 12.132 1.00 4.76 H new ATOM 0 HD3 LYS A 68 3.469 21.968 12.008 1.00 4.76 H new ATOM 0 HE2 LYS A 68 3.002 23.623 10.179 1.00 5.89 H new ATOM 0 HE3 LYS A 68 3.394 22.028 9.567 1.00 5.89 H new ATOM 0 HZ1 LYS A 68 1.517 23.029 8.416 1.00 5.80 H new ATOM 0 HZ2 LYS A 68 1.059 21.597 9.205 1.00 5.80 H new ATOM 0 HZ3 LYS A 68 0.639 23.103 9.867 1.00 5.80 H new ATOM 1097 N ALA A 69 1.852 17.154 11.383 1.00 2.05 N ATOM 1098 CA ALA A 69 2.107 16.335 10.195 1.00 1.96 C ATOM 1099 C ALA A 69 0.964 15.366 9.850 1.00 1.93 C ATOM 1100 O ALA A 69 0.819 15.024 8.680 1.00 1.86 O ATOM 1101 CB ALA A 69 3.420 15.576 10.400 1.00 1.96 C ATOM 0 H ALA A 69 2.575 17.056 12.095 1.00 2.05 H new ATOM 0 HA ALA A 69 2.177 17.008 9.340 1.00 1.96 H new ATOM 0 HB1 ALA A 69 3.625 14.961 9.524 1.00 1.96 H new ATOM 0 HB2 ALA A 69 4.233 16.288 10.542 1.00 1.96 H new ATOM 0 HB3 ALA A 69 3.338 14.938 11.280 1.00 1.96 H new ATOM 1107 N GLN A 70 0.112 14.996 10.817 1.00 1.99 N ATOM 1108 CA GLN A 70 -1.129 14.255 10.563 1.00 2.15 C ATOM 1109 C GLN A 70 -1.994 14.906 9.459 1.00 2.38 C ATOM 1110 O GLN A 70 -2.603 14.191 8.668 1.00 2.51 O ATOM 1111 CB GLN A 70 -1.920 14.104 11.878 1.00 2.52 C ATOM 1112 CG GLN A 70 -1.188 13.326 12.995 1.00 2.39 C ATOM 1113 CD GLN A 70 -0.820 11.884 12.643 1.00 3.09 C ATOM 1114 OE1 GLN A 70 -1.272 11.326 11.660 1.00 3.79 O ATOM 1115 NE2 GLN A 70 0.021 11.217 13.403 1.00 4.13 N ATOM 0 H GLN A 70 0.267 15.205 11.803 1.00 1.99 H new ATOM 0 HA GLN A 70 -0.858 13.267 10.191 1.00 2.15 H new ATOM 0 HB2 GLN A 70 -2.169 15.098 12.251 1.00 2.52 H new ATOM 0 HB3 GLN A 70 -2.862 13.600 11.662 1.00 2.52 H new ATOM 0 HG2 GLN A 70 -0.277 13.865 13.255 1.00 2.39 H new ATOM 0 HG3 GLN A 70 -1.818 13.318 13.884 1.00 2.39 H new ATOM 0 HE21 GLN A 70 0.417 11.657 14.234 1.00 4.13 H new ATOM 0 HE22 GLN A 70 0.277 10.260 13.162 1.00 4.13 H new ATOM 1124 N GLU A 71 -1.958 16.238 9.305 1.00 2.54 N ATOM 1125 CA GLU A 71 -2.649 17.028 8.265 1.00 2.75 C ATOM 1126 C GLU A 71 -2.509 16.497 6.822 1.00 2.46 C ATOM 1127 O GLU A 71 -3.368 16.767 5.976 1.00 2.77 O ATOM 1128 CB GLU A 71 -2.131 18.481 8.335 1.00 3.03 C ATOM 1129 CG GLU A 71 -0.694 18.639 7.796 1.00 4.12 C ATOM 1130 CD GLU A 71 0.057 19.879 8.274 1.00 4.78 C ATOM 1131 OE1 GLU A 71 -0.544 20.843 8.790 1.00 4.70 O ATOM 1132 OE2 GLU A 71 1.302 19.916 8.120 1.00 5.90 O ATOM 0 H GLU A 71 -1.417 16.829 9.936 1.00 2.54 H new ATOM 0 HA GLU A 71 -3.714 16.954 8.486 1.00 2.75 H new ATOM 0 HB2 GLU A 71 -2.799 19.126 7.765 1.00 3.03 H new ATOM 0 HB3 GLU A 71 -2.164 18.823 9.370 1.00 3.03 H new ATOM 0 HG2 GLU A 71 -0.120 17.757 8.079 1.00 4.12 H new ATOM 0 HG3 GLU A 71 -0.734 18.657 6.707 1.00 4.12 H new ATOM 1139 N ARG A 72 -1.433 15.751 6.529 1.00 1.84 N ATOM 1140 CA ARG A 72 -1.199 15.141 5.222 1.00 1.49 C ATOM 1141 C ARG A 72 -1.356 13.613 5.154 1.00 1.51 C ATOM 1142 O ARG A 72 -1.187 13.095 4.048 1.00 1.62 O ATOM 1143 CB ARG A 72 0.108 15.646 4.592 1.00 1.63 C ATOM 1144 CG ARG A 72 1.374 15.417 5.434 1.00 1.73 C ATOM 1145 CD ARG A 72 1.878 16.762 5.961 1.00 1.74 C ATOM 1146 NE ARG A 72 2.660 17.449 4.924 1.00 2.55 N ATOM 1147 CZ ARG A 72 3.026 18.716 4.830 1.00 3.03 C ATOM 1148 NH1 ARG A 72 2.633 19.652 5.671 1.00 3.39 N ATOM 1149 NH2 ARG A 72 3.829 19.045 3.841 1.00 3.96 N ATOM 0 H ARG A 72 -0.695 15.555 7.205 1.00 1.84 H new ATOM 0 HA ARG A 72 -2.026 15.489 4.603 1.00 1.49 H new ATOM 0 HB2 ARG A 72 0.240 15.157 3.627 1.00 1.63 H new ATOM 0 HB3 ARG A 72 0.009 16.714 4.397 1.00 1.63 H new ATOM 0 HG2 ARG A 72 1.156 14.746 6.265 1.00 1.73 H new ATOM 0 HG3 ARG A 72 2.145 14.937 4.831 1.00 1.73 H new ATOM 0 HD2 ARG A 72 1.034 17.383 6.262 1.00 1.74 H new ATOM 0 HD3 ARG A 72 2.492 16.607 6.848 1.00 1.74 H new ATOM 0 HE ARG A 72 2.969 16.854 4.155 1.00 2.55 H new ATOM 0 HH11 ARG A 72 2.013 19.414 6.445 1.00 3.39 H new ATOM 0 HH12 ARG A 72 2.949 20.614 5.547 1.00 3.39 H new ATOM 0 HH21 ARG A 72 4.145 18.333 3.183 1.00 3.96 H new ATOM 0 HH22 ARG A 72 4.135 20.012 3.733 1.00 3.96 H new ATOM 1163 N VAL A 73 -1.691 12.893 6.236 1.00 1.47 N ATOM 1164 CA VAL A 73 -1.726 11.408 6.217 1.00 1.53 C ATOM 1165 C VAL A 73 -3.046 10.839 5.659 1.00 2.02 C ATOM 1166 O VAL A 73 -4.135 11.292 6.008 1.00 2.74 O ATOM 1167 CB VAL A 73 -1.369 10.744 7.576 1.00 1.84 C ATOM 1168 CG1 VAL A 73 -0.058 11.312 8.143 1.00 3.07 C ATOM 1169 CG2 VAL A 73 -2.479 10.753 8.637 1.00 3.70 C ATOM 0 H VAL A 73 -1.942 13.305 7.135 1.00 1.47 H new ATOM 0 HA VAL A 73 -0.930 11.139 5.523 1.00 1.53 H new ATOM 0 HB VAL A 73 -1.238 9.690 7.333 1.00 1.84 H new ATOM 0 HG11 VAL A 73 0.167 10.829 9.094 1.00 3.07 H new ATOM 0 HG12 VAL A 73 0.754 11.125 7.440 1.00 3.07 H new ATOM 0 HG13 VAL A 73 -0.163 12.386 8.297 1.00 3.07 H new ATOM 0 HG21 VAL A 73 -2.120 10.264 9.543 1.00 3.70 H new ATOM 0 HG22 VAL A 73 -2.756 11.782 8.865 1.00 3.70 H new ATOM 0 HG23 VAL A 73 -3.350 10.219 8.257 1.00 3.70 H new ATOM 1179 N GLN A 74 -2.940 9.822 4.798 1.00 1.49 N ATOM 1180 CA GLN A 74 -3.981 8.866 4.388 1.00 1.59 C ATOM 1181 C GLN A 74 -3.316 7.489 4.163 1.00 1.49 C ATOM 1182 O GLN A 74 -2.095 7.449 4.027 1.00 1.63 O ATOM 1183 CB GLN A 74 -4.693 9.369 3.111 1.00 1.69 C ATOM 1184 CG GLN A 74 -6.169 9.743 3.331 1.00 2.03 C ATOM 1185 CD GLN A 74 -7.066 8.530 3.597 1.00 2.02 C ATOM 1186 OE1 GLN A 74 -6.628 7.493 4.055 1.00 2.99 O ATOM 1187 NE2 GLN A 74 -8.349 8.601 3.318 1.00 3.20 N ATOM 0 H GLN A 74 -2.054 9.628 4.331 1.00 1.49 H new ATOM 0 HA GLN A 74 -4.740 8.772 5.165 1.00 1.59 H new ATOM 0 HB2 GLN A 74 -4.160 10.239 2.728 1.00 1.69 H new ATOM 0 HB3 GLN A 74 -4.634 8.596 2.345 1.00 1.69 H new ATOM 0 HG2 GLN A 74 -6.241 10.431 4.173 1.00 2.03 H new ATOM 0 HG3 GLN A 74 -6.537 10.274 2.453 1.00 2.03 H new ATOM 0 HE21 GLN A 74 -8.740 9.461 2.933 1.00 3.20 H new ATOM 0 HE22 GLN A 74 -8.953 7.797 3.487 1.00 3.20 H new ATOM 1196 N VAL A 75 -4.068 6.378 4.112 1.00 1.62 N ATOM 1197 CA VAL A 75 -3.526 5.021 3.842 1.00 1.51 C ATOM 1198 C VAL A 75 -4.501 4.220 2.964 1.00 1.56 C ATOM 1199 O VAL A 75 -5.711 4.264 3.191 1.00 1.91 O ATOM 1200 CB VAL A 75 -3.254 4.229 5.148 1.00 1.69 C ATOM 1201 CG1 VAL A 75 -2.272 3.073 4.910 1.00 1.68 C ATOM 1202 CG2 VAL A 75 -2.638 5.079 6.270 1.00 2.13 C ATOM 0 H VAL A 75 -5.078 6.388 4.257 1.00 1.62 H new ATOM 0 HA VAL A 75 -2.578 5.157 3.321 1.00 1.51 H new ATOM 0 HB VAL A 75 -4.239 3.875 5.452 1.00 1.69 H new ATOM 0 HG11 VAL A 75 -2.104 2.540 5.846 1.00 1.68 H new ATOM 0 HG12 VAL A 75 -2.689 2.388 4.172 1.00 1.68 H new ATOM 0 HG13 VAL A 75 -1.325 3.470 4.544 1.00 1.68 H new ATOM 0 HG21 VAL A 75 -2.477 4.457 7.151 1.00 2.13 H new ATOM 0 HG22 VAL A 75 -1.685 5.488 5.935 1.00 2.13 H new ATOM 0 HG23 VAL A 75 -3.315 5.895 6.521 1.00 2.13 H new ATOM 1212 N ILE A 76 -4.004 3.461 1.976 1.00 1.11 N ATOM 1213 CA ILE A 76 -4.819 2.630 1.063 1.00 0.98 C ATOM 1214 C ILE A 76 -4.230 1.215 0.936 1.00 1.05 C ATOM 1215 O ILE A 76 -3.053 1.039 0.620 1.00 1.17 O ATOM 1216 CB ILE A 76 -4.927 3.300 -0.331 1.00 0.91 C ATOM 1217 CG1 ILE A 76 -5.580 4.705 -0.307 1.00 1.21 C ATOM 1218 CG2 ILE A 76 -5.675 2.412 -1.341 1.00 0.84 C ATOM 1219 CD1 ILE A 76 -7.056 4.742 0.100 1.00 1.73 C ATOM 0 H ILE A 76 -3.004 3.403 1.781 1.00 1.11 H new ATOM 0 HA ILE A 76 -5.820 2.544 1.485 1.00 0.98 H new ATOM 0 HB ILE A 76 -3.892 3.427 -0.650 1.00 0.91 H new ATOM 0 HG12 ILE A 76 -5.016 5.336 0.380 1.00 1.21 H new ATOM 0 HG13 ILE A 76 -5.484 5.148 -1.298 1.00 1.21 H new ATOM 0 HG21 ILE A 76 -5.727 2.920 -2.304 1.00 0.84 H new ATOM 0 HG22 ILE A 76 -5.144 1.467 -1.458 1.00 0.84 H new ATOM 0 HG23 ILE A 76 -6.684 2.218 -0.978 1.00 0.84 H new ATOM 0 HD11 ILE A 76 -7.412 5.772 0.084 1.00 1.73 H new ATOM 0 HD12 ILE A 76 -7.641 4.144 -0.599 1.00 1.73 H new ATOM 0 HD13 ILE A 76 -7.166 4.336 1.106 1.00 1.73 H new ATOM 1231 N PHE A 77 -5.076 0.200 1.132 1.00 0.95 N ATOM 1232 CA PHE A 77 -4.780 -1.199 0.841 1.00 0.94 C ATOM 1233 C PHE A 77 -5.465 -1.600 -0.472 1.00 1.73 C ATOM 1234 O PHE A 77 -6.600 -1.195 -0.719 1.00 2.27 O ATOM 1235 CB PHE A 77 -5.266 -2.071 2.010 1.00 0.98 C ATOM 1236 CG PHE A 77 -5.061 -3.555 1.787 1.00 1.04 C ATOM 1237 CD1 PHE A 77 -3.761 -4.092 1.826 1.00 1.89 C ATOM 1238 CD2 PHE A 77 -6.157 -4.390 1.502 1.00 2.54 C ATOM 1239 CE1 PHE A 77 -3.557 -5.461 1.580 1.00 1.91 C ATOM 1240 CE2 PHE A 77 -5.952 -5.758 1.254 1.00 2.42 C ATOM 1241 CZ PHE A 77 -4.657 -6.293 1.295 1.00 1.14 C ATOM 0 H PHE A 77 -6.014 0.337 1.509 1.00 0.95 H new ATOM 0 HA PHE A 77 -3.706 -1.344 0.725 1.00 0.94 H new ATOM 0 HB2 PHE A 77 -4.741 -1.773 2.917 1.00 0.98 H new ATOM 0 HB3 PHE A 77 -6.326 -1.881 2.178 1.00 0.98 H new ATOM 0 HD1 PHE A 77 -2.919 -3.452 2.045 1.00 1.89 H new ATOM 0 HD2 PHE A 77 -7.156 -3.980 1.474 1.00 2.54 H new ATOM 0 HE1 PHE A 77 -2.559 -5.874 1.609 1.00 1.91 H new ATOM 0 HE2 PHE A 77 -6.793 -6.398 1.032 1.00 2.42 H new ATOM 0 HZ PHE A 77 -4.502 -7.345 1.108 1.00 1.14 H new ATOM 1251 N VAL A 78 -4.799 -2.397 -1.304 1.00 0.67 N ATOM 1252 CA VAL A 78 -5.354 -2.902 -2.568 1.00 0.66 C ATOM 1253 C VAL A 78 -5.135 -4.411 -2.630 1.00 0.84 C ATOM 1254 O VAL A 78 -4.078 -4.895 -2.223 1.00 1.13 O ATOM 1255 CB VAL A 78 -4.721 -2.208 -3.795 1.00 0.76 C ATOM 1256 CG1 VAL A 78 -5.349 -2.680 -5.117 1.00 1.03 C ATOM 1257 CG2 VAL A 78 -4.870 -0.677 -3.730 1.00 1.31 C ATOM 0 H VAL A 78 -3.848 -2.717 -1.122 1.00 0.67 H new ATOM 0 HA VAL A 78 -6.420 -2.677 -2.597 1.00 0.66 H new ATOM 0 HB VAL A 78 -3.667 -2.483 -3.768 1.00 0.76 H new ATOM 0 HG11 VAL A 78 -4.872 -2.165 -5.951 1.00 1.03 H new ATOM 0 HG12 VAL A 78 -5.205 -3.755 -5.225 1.00 1.03 H new ATOM 0 HG13 VAL A 78 -6.416 -2.455 -5.114 1.00 1.03 H new ATOM 0 HG21 VAL A 78 -4.411 -0.229 -4.612 1.00 1.31 H new ATOM 0 HG22 VAL A 78 -5.928 -0.415 -3.699 1.00 1.31 H new ATOM 0 HG23 VAL A 78 -4.376 -0.301 -2.834 1.00 1.31 H new ATOM 1267 N SER A 79 -6.118 -5.162 -3.117 1.00 0.58 N ATOM 1268 CA SER A 79 -5.977 -6.618 -3.248 1.00 0.60 C ATOM 1269 C SER A 79 -5.087 -7.030 -4.439 1.00 0.91 C ATOM 1270 O SER A 79 -4.801 -6.227 -5.329 1.00 1.47 O ATOM 1271 CB SER A 79 -7.345 -7.293 -3.325 1.00 0.99 C ATOM 1272 OG SER A 79 -8.040 -7.078 -2.112 1.00 2.07 O ATOM 0 H SER A 79 -7.018 -4.794 -3.427 1.00 0.58 H new ATOM 0 HA SER A 79 -5.468 -6.964 -2.348 1.00 0.60 H new ATOM 0 HB2 SER A 79 -7.916 -6.890 -4.161 1.00 0.99 H new ATOM 0 HB3 SER A 79 -7.227 -8.361 -3.506 1.00 0.99 H new ATOM 0 HG SER A 79 -7.621 -7.602 -1.398 1.00 2.07 H new ATOM 1278 N VAL A 80 -4.641 -8.285 -4.491 1.00 0.66 N ATOM 1279 CA VAL A 80 -3.831 -8.840 -5.596 1.00 0.80 C ATOM 1280 C VAL A 80 -4.726 -9.642 -6.566 1.00 1.26 C ATOM 1281 O VAL A 80 -4.345 -9.945 -7.693 1.00 1.43 O ATOM 1282 CB VAL A 80 -2.689 -9.688 -4.978 1.00 0.99 C ATOM 1283 CG1 VAL A 80 -1.902 -10.553 -5.972 1.00 2.23 C ATOM 1284 CG2 VAL A 80 -1.662 -8.770 -4.284 1.00 1.76 C ATOM 0 H VAL A 80 -4.832 -8.965 -3.755 1.00 0.66 H new ATOM 0 HA VAL A 80 -3.381 -8.046 -6.192 1.00 0.80 H new ATOM 0 HB VAL A 80 -3.201 -10.358 -4.287 1.00 0.99 H new ATOM 0 HG11 VAL A 80 -1.128 -11.106 -5.440 1.00 2.23 H new ATOM 0 HG12 VAL A 80 -2.579 -11.255 -6.459 1.00 2.23 H new ATOM 0 HG13 VAL A 80 -1.440 -9.914 -6.724 1.00 2.23 H new ATOM 0 HG21 VAL A 80 -0.865 -9.376 -3.854 1.00 1.76 H new ATOM 0 HG22 VAL A 80 -1.239 -8.080 -5.014 1.00 1.76 H new ATOM 0 HG23 VAL A 80 -2.155 -8.205 -3.493 1.00 1.76 H new ATOM 1294 N ASP A 81 -5.937 -9.974 -6.114 1.00 1.07 N ATOM 1295 CA ASP A 81 -6.639 -11.207 -6.434 1.00 1.01 C ATOM 1296 C ASP A 81 -8.167 -11.006 -6.343 1.00 1.13 C ATOM 1297 O ASP A 81 -8.807 -11.425 -5.374 1.00 1.31 O ATOM 1298 CB ASP A 81 -6.131 -12.312 -5.479 1.00 1.22 C ATOM 1299 CG ASP A 81 -6.338 -12.005 -3.984 1.00 3.24 C ATOM 1300 OD1 ASP A 81 -6.026 -10.861 -3.560 1.00 5.07 O ATOM 1301 OD2 ASP A 81 -6.788 -12.932 -3.272 1.00 3.74 O ATOM 0 H ASP A 81 -6.470 -9.366 -5.493 1.00 1.07 H new ATOM 0 HA ASP A 81 -6.434 -11.509 -7.461 1.00 1.01 H new ATOM 0 HB2 ASP A 81 -6.640 -13.245 -5.720 1.00 1.22 H new ATOM 0 HB3 ASP A 81 -5.068 -12.472 -5.661 1.00 1.22 H new ATOM 1306 N PRO A 82 -8.800 -10.428 -7.382 1.00 0.97 N ATOM 1307 CA PRO A 82 -10.260 -10.347 -7.482 1.00 1.04 C ATOM 1308 C PRO A 82 -10.948 -11.719 -7.659 1.00 1.29 C ATOM 1309 O PRO A 82 -12.171 -11.778 -7.752 1.00 1.73 O ATOM 1310 CB PRO A 82 -10.524 -9.384 -8.642 1.00 1.36 C ATOM 1311 CG PRO A 82 -9.293 -9.532 -9.533 1.00 1.38 C ATOM 1312 CD PRO A 82 -8.171 -9.781 -8.529 1.00 1.21 C ATOM 0 HA PRO A 82 -10.697 -9.984 -6.552 1.00 1.04 H new ATOM 0 HB2 PRO A 82 -11.437 -9.644 -9.177 1.00 1.36 H new ATOM 0 HB3 PRO A 82 -10.642 -8.359 -8.291 1.00 1.36 H new ATOM 0 HG2 PRO A 82 -9.399 -10.360 -10.234 1.00 1.38 H new ATOM 0 HG3 PRO A 82 -9.113 -8.635 -10.125 1.00 1.38 H new ATOM 0 HD2 PRO A 82 -7.395 -10.415 -8.959 1.00 1.21 H new ATOM 0 HD3 PRO A 82 -7.693 -8.846 -8.237 1.00 1.21 H new ATOM 1320 N GLU A 83 -10.186 -12.823 -7.673 1.00 1.18 N ATOM 1321 CA GLU A 83 -10.671 -14.206 -7.536 1.00 1.51 C ATOM 1322 C GLU A 83 -10.955 -14.595 -6.063 1.00 1.53 C ATOM 1323 O GLU A 83 -11.622 -15.604 -5.821 1.00 1.95 O ATOM 1324 CB GLU A 83 -9.608 -15.147 -8.158 1.00 1.90 C ATOM 1325 CG GLU A 83 -10.036 -16.624 -8.278 1.00 2.79 C ATOM 1326 CD GLU A 83 -8.997 -17.534 -8.941 1.00 3.10 C ATOM 1327 OE1 GLU A 83 -7.957 -17.070 -9.454 1.00 3.29 O ATOM 1328 OE2 GLU A 83 -9.212 -18.775 -8.959 1.00 3.94 O ATOM 0 H GLU A 83 -9.173 -12.775 -7.785 1.00 1.18 H new ATOM 0 HA GLU A 83 -11.623 -14.299 -8.058 1.00 1.51 H new ATOM 0 HB2 GLU A 83 -9.353 -14.776 -9.151 1.00 1.90 H new ATOM 0 HB3 GLU A 83 -8.701 -15.095 -7.555 1.00 1.90 H new ATOM 0 HG2 GLU A 83 -10.254 -17.008 -7.282 1.00 2.79 H new ATOM 0 HG3 GLU A 83 -10.963 -16.675 -8.849 1.00 2.79 H new ATOM 1335 N ARG A 84 -10.430 -13.844 -5.074 1.00 1.16 N ATOM 1336 CA ARG A 84 -10.271 -14.331 -3.691 1.00 1.32 C ATOM 1337 C ARG A 84 -10.338 -13.274 -2.573 1.00 1.37 C ATOM 1338 O ARG A 84 -10.748 -13.643 -1.464 1.00 1.58 O ATOM 1339 CB ARG A 84 -8.956 -15.143 -3.604 1.00 1.67 C ATOM 1340 CG ARG A 84 -9.187 -16.667 -3.633 1.00 2.02 C ATOM 1341 CD ARG A 84 -9.423 -17.308 -2.255 1.00 2.28 C ATOM 1342 NE ARG A 84 -10.278 -16.482 -1.387 1.00 3.36 N ATOM 1343 CZ ARG A 84 -11.079 -16.845 -0.400 1.00 4.51 C ATOM 1344 NH1 ARG A 84 -11.290 -18.107 -0.075 1.00 4.94 N ATOM 1345 NH2 ARG A 84 -11.675 -15.887 0.273 1.00 6.12 N ATOM 0 H ARG A 84 -10.106 -12.887 -5.212 1.00 1.16 H new ATOM 0 HA ARG A 84 -11.148 -14.949 -3.496 1.00 1.32 H new ATOM 0 HB2 ARG A 84 -8.307 -14.863 -4.434 1.00 1.67 H new ATOM 0 HB3 ARG A 84 -8.432 -14.878 -2.686 1.00 1.67 H new ATOM 0 HG2 ARG A 84 -10.047 -16.878 -4.269 1.00 2.02 H new ATOM 0 HG3 ARG A 84 -8.323 -17.143 -4.097 1.00 2.02 H new ATOM 0 HD2 ARG A 84 -9.884 -18.287 -2.388 1.00 2.28 H new ATOM 0 HD3 ARG A 84 -8.463 -17.471 -1.765 1.00 2.28 H new ATOM 0 HE ARG A 84 -10.248 -15.480 -1.575 1.00 3.36 H new ATOM 0 HH11 ARG A 84 -10.825 -18.852 -0.594 1.00 4.94 H new ATOM 0 HH12 ARG A 84 -11.918 -18.337 0.695 1.00 4.94 H new ATOM 0 HH21 ARG A 84 -11.511 -14.911 0.025 1.00 6.12 H new ATOM 0 HH22 ARG A 84 -12.302 -16.119 1.043 1.00 6.12 H new ATOM 1359 N ASP A 85 -10.020 -12.006 -2.813 1.00 0.94 N ATOM 1360 CA ASP A 85 -10.055 -10.947 -1.793 1.00 0.83 C ATOM 1361 C ASP A 85 -10.965 -9.780 -2.248 1.00 1.03 C ATOM 1362 O ASP A 85 -10.532 -8.929 -3.028 1.00 1.26 O ATOM 1363 CB ASP A 85 -8.610 -10.512 -1.490 1.00 1.01 C ATOM 1364 CG ASP A 85 -8.481 -9.614 -0.259 1.00 1.63 C ATOM 1365 OD1 ASP A 85 -9.335 -9.731 0.649 1.00 2.59 O ATOM 1366 OD2 ASP A 85 -7.490 -8.846 -0.192 1.00 2.57 O ATOM 0 H ASP A 85 -9.726 -11.674 -3.731 1.00 0.94 H new ATOM 0 HA ASP A 85 -10.494 -11.318 -0.867 1.00 0.83 H new ATOM 0 HB2 ASP A 85 -7.996 -11.401 -1.346 1.00 1.01 H new ATOM 0 HB3 ASP A 85 -8.210 -9.985 -2.356 1.00 1.01 H new ATOM 1371 N PRO A 86 -12.256 -9.769 -1.845 1.00 0.77 N ATOM 1372 CA PRO A 86 -13.238 -8.762 -2.262 1.00 0.91 C ATOM 1373 C PRO A 86 -13.141 -7.484 -1.409 1.00 1.06 C ATOM 1374 O PRO A 86 -12.735 -7.568 -0.248 1.00 0.85 O ATOM 1375 CB PRO A 86 -14.601 -9.443 -2.103 1.00 0.91 C ATOM 1376 CG PRO A 86 -14.376 -10.402 -0.937 1.00 0.82 C ATOM 1377 CD PRO A 86 -12.922 -10.838 -1.107 1.00 0.78 C ATOM 0 HA PRO A 86 -13.067 -8.435 -3.287 1.00 0.91 H new ATOM 0 HB2 PRO A 86 -15.389 -8.722 -1.885 1.00 0.91 H new ATOM 0 HB3 PRO A 86 -14.895 -9.972 -3.009 1.00 0.91 H new ATOM 0 HG2 PRO A 86 -14.538 -9.911 0.023 1.00 0.82 H new ATOM 0 HG3 PRO A 86 -15.057 -11.252 -0.980 1.00 0.82 H new ATOM 0 HD2 PRO A 86 -12.448 -10.995 -0.138 1.00 0.78 H new ATOM 0 HD3 PRO A 86 -12.860 -11.782 -1.649 1.00 0.78 H new ATOM 1385 N PRO A 87 -13.566 -6.312 -1.933 1.00 0.65 N ATOM 1386 CA PRO A 87 -13.212 -4.998 -1.388 1.00 0.78 C ATOM 1387 C PRO A 87 -13.595 -4.808 0.078 1.00 1.03 C ATOM 1388 O PRO A 87 -12.858 -4.166 0.817 1.00 0.96 O ATOM 1389 CB PRO A 87 -13.920 -3.960 -2.270 1.00 0.85 C ATOM 1390 CG PRO A 87 -14.973 -4.755 -3.037 1.00 0.79 C ATOM 1391 CD PRO A 87 -14.351 -6.144 -3.150 1.00 0.67 C ATOM 0 HA PRO A 87 -12.128 -4.889 -1.404 1.00 0.78 H new ATOM 0 HB2 PRO A 87 -14.378 -3.175 -1.668 1.00 0.85 H new ATOM 0 HB3 PRO A 87 -13.219 -3.473 -2.949 1.00 0.85 H new ATOM 0 HG2 PRO A 87 -15.924 -4.782 -2.504 1.00 0.79 H new ATOM 0 HG3 PRO A 87 -15.169 -4.321 -4.017 1.00 0.79 H new ATOM 0 HD2 PRO A 87 -15.119 -6.914 -3.233 1.00 0.67 H new ATOM 0 HD3 PRO A 87 -13.723 -6.223 -4.038 1.00 0.67 H new ATOM 1399 N GLU A 88 -14.724 -5.375 0.508 1.00 0.71 N ATOM 1400 CA GLU A 88 -15.195 -5.256 1.884 1.00 0.84 C ATOM 1401 C GLU A 88 -14.337 -6.058 2.877 1.00 1.09 C ATOM 1402 O GLU A 88 -14.036 -5.561 3.957 1.00 1.35 O ATOM 1403 CB GLU A 88 -16.675 -5.670 1.901 1.00 1.08 C ATOM 1404 CG GLU A 88 -17.418 -5.196 3.155 1.00 1.65 C ATOM 1405 CD GLU A 88 -17.891 -6.352 4.035 1.00 2.37 C ATOM 1406 OE1 GLU A 88 -17.100 -7.270 4.333 1.00 3.16 O ATOM 1407 OE2 GLU A 88 -19.060 -6.336 4.474 1.00 3.38 O ATOM 0 H GLU A 88 -15.336 -5.929 -0.091 1.00 0.71 H new ATOM 0 HA GLU A 88 -15.098 -4.224 2.222 1.00 0.84 H new ATOM 0 HB2 GLU A 88 -17.170 -5.265 1.018 1.00 1.08 H new ATOM 0 HB3 GLU A 88 -16.743 -6.756 1.834 1.00 1.08 H new ATOM 0 HG2 GLU A 88 -16.763 -4.547 3.736 1.00 1.65 H new ATOM 0 HG3 GLU A 88 -18.278 -4.596 2.857 1.00 1.65 H new ATOM 1414 N VAL A 89 -13.892 -7.261 2.495 1.00 0.73 N ATOM 1415 CA VAL A 89 -13.019 -8.147 3.294 1.00 0.72 C ATOM 1416 C VAL A 89 -11.589 -7.603 3.347 1.00 0.97 C ATOM 1417 O VAL A 89 -10.990 -7.547 4.421 1.00 0.87 O ATOM 1418 CB VAL A 89 -13.035 -9.593 2.746 1.00 0.75 C ATOM 1419 CG1 VAL A 89 -12.104 -10.539 3.524 1.00 0.85 C ATOM 1420 CG2 VAL A 89 -14.455 -10.180 2.815 1.00 1.10 C ATOM 0 H VAL A 89 -14.135 -7.664 1.590 1.00 0.73 H new ATOM 0 HA VAL A 89 -13.413 -8.170 4.310 1.00 0.72 H new ATOM 0 HB VAL A 89 -12.685 -9.523 1.716 1.00 0.75 H new ATOM 0 HG11 VAL A 89 -12.158 -11.539 3.093 1.00 0.85 H new ATOM 0 HG12 VAL A 89 -11.079 -10.173 3.463 1.00 0.85 H new ATOM 0 HG13 VAL A 89 -12.414 -10.577 4.568 1.00 0.85 H new ATOM 0 HG21 VAL A 89 -14.447 -11.198 2.425 1.00 1.10 H new ATOM 0 HG22 VAL A 89 -14.794 -10.191 3.851 1.00 1.10 H new ATOM 0 HG23 VAL A 89 -15.131 -9.568 2.218 1.00 1.10 H new ATOM 1430 N ALA A 90 -11.087 -7.140 2.193 1.00 0.61 N ATOM 1431 CA ALA A 90 -9.860 -6.363 2.068 1.00 0.66 C ATOM 1432 C ALA A 90 -9.860 -5.138 2.994 1.00 0.87 C ATOM 1433 O ALA A 90 -8.847 -4.843 3.634 1.00 0.99 O ATOM 1434 CB ALA A 90 -9.734 -5.963 0.591 1.00 0.71 C ATOM 0 H ALA A 90 -11.544 -7.305 1.296 1.00 0.61 H new ATOM 0 HA ALA A 90 -9.000 -6.957 2.377 1.00 0.66 H new ATOM 0 HB1 ALA A 90 -8.826 -5.377 0.449 1.00 0.71 H new ATOM 0 HB2 ALA A 90 -9.687 -6.860 -0.026 1.00 0.71 H new ATOM 0 HB3 ALA A 90 -10.599 -5.367 0.300 1.00 0.71 H new ATOM 1440 N ASP A 91 -11.004 -4.458 3.121 1.00 0.59 N ATOM 1441 CA ASP A 91 -11.167 -3.344 4.051 1.00 0.57 C ATOM 1442 C ASP A 91 -11.176 -3.796 5.518 1.00 0.93 C ATOM 1443 O ASP A 91 -10.354 -3.268 6.262 1.00 1.04 O ATOM 1444 CB ASP A 91 -12.396 -2.498 3.695 1.00 0.60 C ATOM 1445 CG ASP A 91 -12.395 -1.180 4.469 1.00 0.75 C ATOM 1446 OD1 ASP A 91 -11.764 -0.200 4.008 1.00 1.79 O ATOM 1447 OD2 ASP A 91 -13.027 -1.092 5.543 1.00 1.48 O ATOM 0 H ASP A 91 -11.842 -4.668 2.579 1.00 0.59 H new ATOM 0 HA ASP A 91 -10.290 -2.706 3.942 1.00 0.57 H new ATOM 0 HB2 ASP A 91 -12.405 -2.295 2.624 1.00 0.60 H new ATOM 0 HB3 ASP A 91 -13.304 -3.056 3.921 1.00 0.60 H new ATOM 1452 N ARG A 92 -12.015 -4.763 5.946 1.00 0.61 N ATOM 1453 CA ARG A 92 -12.112 -5.178 7.362 1.00 0.68 C ATOM 1454 C ARG A 92 -10.736 -5.431 7.993 1.00 1.20 C ATOM 1455 O ARG A 92 -10.441 -4.955 9.091 1.00 1.51 O ATOM 1456 CB ARG A 92 -12.949 -6.463 7.547 1.00 0.76 C ATOM 1457 CG ARG A 92 -14.366 -6.467 6.959 1.00 1.09 C ATOM 1458 CD ARG A 92 -15.293 -7.466 7.667 1.00 1.27 C ATOM 1459 NE ARG A 92 -16.608 -7.551 7.006 1.00 2.36 N ATOM 1460 CZ ARG A 92 -17.790 -7.841 7.532 1.00 3.15 C ATOM 1461 NH1 ARG A 92 -17.931 -8.151 8.806 1.00 3.26 N ATOM 1462 NH2 ARG A 92 -18.862 -7.819 6.775 1.00 4.42 N ATOM 0 H ARG A 92 -12.641 -5.275 5.324 1.00 0.61 H new ATOM 0 HA ARG A 92 -12.603 -4.342 7.860 1.00 0.68 H new ATOM 0 HB2 ARG A 92 -12.397 -7.292 7.104 1.00 0.76 H new ATOM 0 HB3 ARG A 92 -13.026 -6.665 8.615 1.00 0.76 H new ATOM 0 HG2 ARG A 92 -14.790 -5.466 7.035 1.00 1.09 H new ATOM 0 HG3 ARG A 92 -14.315 -6.712 5.898 1.00 1.09 H new ATOM 0 HD2 ARG A 92 -14.826 -8.451 7.678 1.00 1.27 H new ATOM 0 HD3 ARG A 92 -15.427 -7.165 8.706 1.00 1.27 H new ATOM 0 HE ARG A 92 -16.609 -7.360 6.004 1.00 2.36 H new ATOM 0 HH11 ARG A 92 -17.116 -8.173 9.419 1.00 3.26 H new ATOM 0 HH12 ARG A 92 -18.855 -8.369 9.179 1.00 3.26 H new ATOM 0 HH21 ARG A 92 -18.784 -7.580 5.787 1.00 4.42 H new ATOM 0 HH22 ARG A 92 -19.774 -8.041 7.175 1.00 4.42 H new ATOM 1476 N TYR A 93 -9.890 -6.174 7.276 1.00 0.67 N ATOM 1477 CA TYR A 93 -8.493 -6.452 7.636 1.00 0.74 C ATOM 1478 C TYR A 93 -7.687 -5.171 7.906 1.00 1.17 C ATOM 1479 O TYR A 93 -7.160 -4.971 9.001 1.00 1.44 O ATOM 1480 CB TYR A 93 -7.862 -7.255 6.487 1.00 0.85 C ATOM 1481 CG TYR A 93 -6.345 -7.185 6.363 1.00 1.86 C ATOM 1482 CD1 TYR A 93 -5.512 -7.418 7.478 1.00 2.28 C ATOM 1483 CD2 TYR A 93 -5.768 -6.835 5.126 1.00 3.50 C ATOM 1484 CE1 TYR A 93 -4.112 -7.317 7.353 1.00 3.11 C ATOM 1485 CE2 TYR A 93 -4.372 -6.751 4.992 1.00 4.59 C ATOM 1486 CZ TYR A 93 -3.539 -6.988 6.102 1.00 4.08 C ATOM 1487 OH TYR A 93 -2.194 -6.847 5.952 1.00 5.26 O ATOM 0 H TYR A 93 -10.166 -6.615 6.398 1.00 0.67 H new ATOM 0 HA TYR A 93 -8.475 -7.021 8.565 1.00 0.74 H new ATOM 0 HB2 TYR A 93 -8.147 -8.301 6.604 1.00 0.85 H new ATOM 0 HB3 TYR A 93 -8.297 -6.909 5.549 1.00 0.85 H new ATOM 0 HD1 TYR A 93 -5.949 -7.675 8.431 1.00 2.28 H new ATOM 0 HD2 TYR A 93 -6.402 -6.630 4.276 1.00 3.50 H new ATOM 0 HE1 TYR A 93 -3.478 -7.490 8.210 1.00 3.11 H new ATOM 0 HE2 TYR A 93 -3.937 -6.504 4.035 1.00 4.59 H new ATOM 0 HH TYR A 93 -1.771 -6.782 6.834 1.00 5.26 H new ATOM 1497 N ALA A 94 -7.593 -4.307 6.898 1.00 0.67 N ATOM 1498 CA ALA A 94 -6.823 -3.071 6.952 1.00 0.67 C ATOM 1499 C ALA A 94 -7.379 -2.105 8.024 1.00 0.94 C ATOM 1500 O ALA A 94 -6.640 -1.501 8.796 1.00 1.09 O ATOM 1501 CB ALA A 94 -6.853 -2.512 5.523 1.00 0.70 C ATOM 0 H ALA A 94 -8.061 -4.451 6.003 1.00 0.67 H new ATOM 0 HA ALA A 94 -5.791 -3.231 7.265 1.00 0.67 H new ATOM 0 HB1 ALA A 94 -6.292 -1.578 5.486 1.00 0.70 H new ATOM 0 HB2 ALA A 94 -6.403 -3.233 4.841 1.00 0.70 H new ATOM 0 HB3 ALA A 94 -7.885 -2.327 5.226 1.00 0.70 H new ATOM 1507 N LYS A 95 -8.702 -2.045 8.157 1.00 0.71 N ATOM 1508 CA LYS A 95 -9.408 -1.230 9.149 1.00 0.87 C ATOM 1509 C LYS A 95 -9.157 -1.675 10.598 1.00 1.09 C ATOM 1510 O LYS A 95 -9.155 -0.835 11.498 1.00 1.33 O ATOM 1511 CB LYS A 95 -10.913 -1.239 8.795 1.00 0.96 C ATOM 1512 CG LYS A 95 -11.623 0.095 9.054 1.00 1.38 C ATOM 1513 CD LYS A 95 -11.017 1.213 8.188 1.00 1.31 C ATOM 1514 CE LYS A 95 -12.071 2.068 7.477 1.00 1.64 C ATOM 1515 NZ LYS A 95 -12.396 1.499 6.146 1.00 1.42 N ATOM 0 H LYS A 95 -9.334 -2.578 7.560 1.00 0.71 H new ATOM 0 HA LYS A 95 -9.016 -0.214 9.105 1.00 0.87 H new ATOM 0 HB2 LYS A 95 -11.027 -1.501 7.743 1.00 0.96 H new ATOM 0 HB3 LYS A 95 -11.407 -2.020 9.373 1.00 0.96 H new ATOM 0 HG2 LYS A 95 -12.686 -0.005 8.835 1.00 1.38 H new ATOM 0 HG3 LYS A 95 -11.538 0.359 10.108 1.00 1.38 H new ATOM 0 HD2 LYS A 95 -10.401 1.856 8.816 1.00 1.31 H new ATOM 0 HD3 LYS A 95 -10.357 0.769 7.443 1.00 1.31 H new ATOM 0 HE2 LYS A 95 -12.974 2.122 8.085 1.00 1.64 H new ATOM 0 HE3 LYS A 95 -11.703 3.087 7.362 1.00 1.64 H new ATOM 0 HZ1 LYS A 95 -13.160 2.053 5.709 1.00 1.42 H new ATOM 0 HZ2 LYS A 95 -11.552 1.533 5.539 1.00 1.42 H new ATOM 0 HZ3 LYS A 95 -12.704 0.512 6.256 1.00 1.42 H new ATOM 1529 N ALA A 96 -8.898 -2.970 10.828 1.00 0.97 N ATOM 1530 CA ALA A 96 -8.589 -3.514 12.155 1.00 1.16 C ATOM 1531 C ALA A 96 -7.212 -3.064 12.667 1.00 1.37 C ATOM 1532 O ALA A 96 -7.038 -2.894 13.870 1.00 1.66 O ATOM 1533 CB ALA A 96 -8.693 -5.039 12.093 1.00 1.20 C ATOM 0 H ALA A 96 -8.897 -3.674 10.090 1.00 0.97 H new ATOM 0 HA ALA A 96 -9.312 -3.124 12.871 1.00 1.16 H new ATOM 0 HB1 ALA A 96 -8.466 -5.459 13.073 1.00 1.20 H new ATOM 0 HB2 ALA A 96 -9.704 -5.323 11.802 1.00 1.20 H new ATOM 0 HB3 ALA A 96 -7.983 -5.423 11.360 1.00 1.20 H new ATOM 1539 N PHE A 97 -6.258 -2.812 11.762 1.00 1.05 N ATOM 1540 CA PHE A 97 -5.001 -2.151 12.101 1.00 1.13 C ATOM 1541 C PHE A 97 -5.170 -0.701 12.543 1.00 2.16 C ATOM 1542 O PHE A 97 -4.561 -0.307 13.540 1.00 2.49 O ATOM 1543 CB PHE A 97 -4.027 -2.273 10.922 1.00 1.17 C ATOM 1544 CG PHE A 97 -3.203 -3.505 11.142 1.00 1.26 C ATOM 1545 CD1 PHE A 97 -2.128 -3.421 12.036 1.00 2.27 C ATOM 1546 CD2 PHE A 97 -3.643 -4.746 10.657 1.00 2.00 C ATOM 1547 CE1 PHE A 97 -1.476 -4.594 12.446 1.00 2.51 C ATOM 1548 CE2 PHE A 97 -2.995 -5.918 11.076 1.00 1.77 C ATOM 1549 CZ PHE A 97 -1.914 -5.843 11.975 1.00 1.66 C ATOM 0 H PHE A 97 -6.340 -3.062 10.777 1.00 1.05 H new ATOM 0 HA PHE A 97 -4.589 -2.663 12.971 1.00 1.13 H new ATOM 0 HB2 PHE A 97 -4.572 -2.340 9.980 1.00 1.17 H new ATOM 0 HB3 PHE A 97 -3.389 -1.391 10.859 1.00 1.17 H new ATOM 0 HD1 PHE A 97 -1.803 -2.460 12.407 1.00 2.27 H new ATOM 0 HD2 PHE A 97 -4.473 -4.799 9.968 1.00 2.00 H new ATOM 0 HE1 PHE A 97 -0.637 -4.537 13.124 1.00 2.51 H new ATOM 0 HE2 PHE A 97 -3.326 -6.878 10.709 1.00 1.77 H new ATOM 0 HZ PHE A 97 -1.421 -6.746 12.303 1.00 1.66 H new ATOM 1559 N HIS A 98 -5.988 0.074 11.828 1.00 1.13 N ATOM 1560 CA HIS A 98 -6.296 1.459 12.128 1.00 1.14 C ATOM 1561 C HIS A 98 -7.438 2.017 11.248 1.00 1.35 C ATOM 1562 O HIS A 98 -7.566 1.612 10.085 1.00 1.41 O ATOM 1563 CB HIS A 98 -5.015 2.293 11.985 1.00 1.23 C ATOM 1564 CG HIS A 98 -4.342 2.338 10.639 1.00 2.27 C ATOM 1565 ND1 HIS A 98 -4.938 2.333 9.399 1.00 3.13 N ATOM 1566 CD2 HIS A 98 -3.008 2.552 10.441 1.00 3.80 C ATOM 1567 CE1 HIS A 98 -3.985 2.554 8.484 1.00 4.90 C ATOM 1568 NE2 HIS A 98 -2.786 2.648 9.067 1.00 5.38 N ATOM 0 H HIS A 98 -6.468 -0.266 10.995 1.00 1.13 H new ATOM 0 HA HIS A 98 -6.660 1.519 13.154 1.00 1.14 H new ATOM 0 HB2 HIS A 98 -5.251 3.317 12.274 1.00 1.23 H new ATOM 0 HB3 HIS A 98 -4.290 1.917 12.707 1.00 1.23 H new ATOM 0 HD1 HIS A 98 -5.930 2.187 9.210 1.00 3.13 H new ATOM 0 HD2 HIS A 98 -2.257 2.633 11.213 1.00 3.80 H new ATOM 0 HE1 HIS A 98 -4.161 2.644 7.422 1.00 4.90 H new ATOM 1577 N PRO A 99 -8.218 3.008 11.733 1.00 1.27 N ATOM 1578 CA PRO A 99 -9.316 3.612 10.975 1.00 1.46 C ATOM 1579 C PRO A 99 -8.863 4.393 9.728 1.00 1.65 C ATOM 1580 O PRO A 99 -9.680 4.636 8.846 1.00 1.65 O ATOM 1581 CB PRO A 99 -10.053 4.516 11.969 1.00 1.83 C ATOM 1582 CG PRO A 99 -8.978 4.882 12.989 1.00 1.79 C ATOM 1583 CD PRO A 99 -8.143 3.605 13.061 1.00 1.48 C ATOM 0 HA PRO A 99 -9.958 2.831 10.569 1.00 1.46 H new ATOM 0 HB2 PRO A 99 -10.459 5.401 11.480 1.00 1.83 H new ATOM 0 HB3 PRO A 99 -10.890 3.998 12.437 1.00 1.83 H new ATOM 0 HG2 PRO A 99 -8.385 5.737 12.665 1.00 1.79 H new ATOM 0 HG3 PRO A 99 -9.408 5.141 13.957 1.00 1.79 H new ATOM 0 HD2 PRO A 99 -7.111 3.827 13.333 1.00 1.48 H new ATOM 0 HD3 PRO A 99 -8.533 2.925 13.818 1.00 1.48 H new ATOM 1591 N SER A 100 -7.579 4.758 9.627 1.00 1.35 N ATOM 1592 CA SER A 100 -6.996 5.513 8.502 1.00 1.47 C ATOM 1593 C SER A 100 -6.827 4.700 7.206 1.00 1.45 C ATOM 1594 O SER A 100 -6.301 5.230 6.230 1.00 1.62 O ATOM 1595 CB SER A 100 -5.635 6.097 8.921 1.00 1.73 C ATOM 1596 OG SER A 100 -5.729 6.804 10.153 1.00 2.08 O ATOM 0 H SER A 100 -6.893 4.531 10.346 1.00 1.35 H new ATOM 0 HA SER A 100 -7.711 6.302 8.271 1.00 1.47 H new ATOM 0 HB2 SER A 100 -4.906 5.292 9.017 1.00 1.73 H new ATOM 0 HB3 SER A 100 -5.270 6.767 8.143 1.00 1.73 H new ATOM 0 HG SER A 100 -4.849 7.161 10.393 1.00 2.08 H new ATOM 1602 N PHE A 101 -7.257 3.431 7.181 1.00 1.17 N ATOM 1603 CA PHE A 101 -7.221 2.584 5.988 1.00 1.17 C ATOM 1604 C PHE A 101 -8.559 2.591 5.233 1.00 2.17 C ATOM 1605 O PHE A 101 -9.643 2.587 5.818 1.00 2.56 O ATOM 1606 CB PHE A 101 -6.867 1.131 6.369 1.00 1.27 C ATOM 1607 CG PHE A 101 -5.468 0.672 5.997 1.00 1.93 C ATOM 1608 CD1 PHE A 101 -5.023 0.737 4.659 1.00 3.72 C ATOM 1609 CD2 PHE A 101 -4.633 0.089 6.967 1.00 2.00 C ATOM 1610 CE1 PHE A 101 -3.750 0.248 4.319 1.00 4.51 C ATOM 1611 CE2 PHE A 101 -3.347 -0.362 6.634 1.00 2.38 C ATOM 1612 CZ PHE A 101 -2.906 -0.289 5.304 1.00 3.55 C ATOM 0 H PHE A 101 -7.644 2.961 8.000 1.00 1.17 H new ATOM 0 HA PHE A 101 -6.455 2.996 5.332 1.00 1.17 H new ATOM 0 HB2 PHE A 101 -6.992 1.017 7.446 1.00 1.27 H new ATOM 0 HB3 PHE A 101 -7.586 0.465 5.892 1.00 1.27 H new ATOM 0 HD1 PHE A 101 -5.660 1.162 3.897 1.00 3.72 H new ATOM 0 HD2 PHE A 101 -4.987 -0.013 7.982 1.00 2.00 H new ATOM 0 HE1 PHE A 101 -3.418 0.286 3.292 1.00 4.51 H new ATOM 0 HE2 PHE A 101 -2.699 -0.764 7.399 1.00 2.38 H new ATOM 0 HZ PHE A 101 -1.921 -0.645 5.039 1.00 3.55 H new ATOM 1622 N LEU A 102 -8.452 2.479 3.912 1.00 1.26 N ATOM 1623 CA LEU A 102 -9.503 2.016 3.011 1.00 1.15 C ATOM 1624 C LEU A 102 -8.930 0.866 2.170 1.00 1.24 C ATOM 1625 O LEU A 102 -7.823 0.989 1.652 1.00 1.55 O ATOM 1626 CB LEU A 102 -9.988 3.225 2.190 1.00 1.31 C ATOM 1627 CG LEU A 102 -10.794 2.926 0.911 1.00 1.41 C ATOM 1628 CD1 LEU A 102 -12.111 2.188 1.195 1.00 1.45 C ATOM 1629 CD2 LEU A 102 -11.104 4.258 0.212 1.00 2.45 C ATOM 0 H LEU A 102 -7.592 2.719 3.419 1.00 1.26 H new ATOM 0 HA LEU A 102 -10.375 1.620 3.531 1.00 1.15 H new ATOM 0 HB2 LEU A 102 -10.602 3.850 2.838 1.00 1.31 H new ATOM 0 HB3 LEU A 102 -9.116 3.816 1.910 1.00 1.31 H new ATOM 0 HG LEU A 102 -10.191 2.272 0.281 1.00 1.41 H new ATOM 0 HD11 LEU A 102 -12.635 2.005 0.257 1.00 1.45 H new ATOM 0 HD12 LEU A 102 -11.897 1.237 1.683 1.00 1.45 H new ATOM 0 HD13 LEU A 102 -12.737 2.798 1.847 1.00 1.45 H new ATOM 0 HD21 LEU A 102 -11.675 4.068 -0.697 1.00 2.45 H new ATOM 0 HD22 LEU A 102 -11.686 4.893 0.880 1.00 2.45 H new ATOM 0 HD23 LEU A 102 -10.171 4.760 -0.044 1.00 2.45 H new ATOM 1641 N GLY A 103 -9.673 -0.238 2.068 1.00 0.91 N ATOM 1642 CA GLY A 103 -9.352 -1.418 1.255 1.00 0.83 C ATOM 1643 C GLY A 103 -10.114 -1.413 -0.071 1.00 0.88 C ATOM 1644 O GLY A 103 -11.306 -1.097 -0.093 1.00 0.99 O ATOM 0 H GLY A 103 -10.554 -0.341 2.571 1.00 0.91 H new ATOM 0 HA2 GLY A 103 -8.280 -1.445 1.059 1.00 0.83 H new ATOM 0 HA3 GLY A 103 -9.597 -2.322 1.812 1.00 0.83 H new ATOM 1648 N LEU A 104 -9.424 -1.763 -1.165 1.00 0.70 N ATOM 1649 CA LEU A 104 -9.921 -1.705 -2.544 1.00 0.69 C ATOM 1650 C LEU A 104 -9.670 -3.029 -3.291 1.00 1.12 C ATOM 1651 O LEU A 104 -8.559 -3.551 -3.348 1.00 1.35 O ATOM 1652 CB LEU A 104 -9.229 -0.537 -3.277 1.00 0.74 C ATOM 1653 CG LEU A 104 -9.417 0.865 -2.657 1.00 0.90 C ATOM 1654 CD1 LEU A 104 -8.597 1.897 -3.447 1.00 0.94 C ATOM 1655 CD2 LEU A 104 -10.888 1.306 -2.661 1.00 1.42 C ATOM 0 H LEU A 104 -8.466 -2.108 -1.110 1.00 0.70 H new ATOM 0 HA LEU A 104 -10.999 -1.544 -2.521 1.00 0.69 H new ATOM 0 HB2 LEU A 104 -8.161 -0.749 -3.327 1.00 0.74 H new ATOM 0 HB3 LEU A 104 -9.597 -0.510 -4.303 1.00 0.74 H new ATOM 0 HG LEU A 104 -9.076 0.808 -1.623 1.00 0.90 H new ATOM 0 HD11 LEU A 104 -8.733 2.884 -3.006 1.00 0.94 H new ATOM 0 HD12 LEU A 104 -7.542 1.626 -3.413 1.00 0.94 H new ATOM 0 HD13 LEU A 104 -8.934 1.913 -4.483 1.00 0.94 H new ATOM 0 HD21 LEU A 104 -10.972 2.297 -2.216 1.00 1.42 H new ATOM 0 HD22 LEU A 104 -11.256 1.337 -3.687 1.00 1.42 H new ATOM 0 HD23 LEU A 104 -11.482 0.597 -2.084 1.00 1.42 H new ATOM 1667 N SER A 105 -10.719 -3.591 -3.879 1.00 0.64 N ATOM 1668 CA SER A 105 -10.643 -4.697 -4.837 1.00 0.62 C ATOM 1669 C SER A 105 -11.808 -4.569 -5.826 1.00 0.90 C ATOM 1670 O SER A 105 -12.834 -3.976 -5.479 1.00 1.19 O ATOM 1671 CB SER A 105 -10.671 -6.022 -4.089 1.00 0.66 C ATOM 1672 OG SER A 105 -10.511 -7.141 -4.935 1.00 0.92 O ATOM 0 H SER A 105 -11.675 -3.284 -3.700 1.00 0.64 H new ATOM 0 HA SER A 105 -9.710 -4.661 -5.400 1.00 0.62 H new ATOM 0 HB2 SER A 105 -9.880 -6.025 -3.339 1.00 0.66 H new ATOM 0 HB3 SER A 105 -11.617 -6.111 -3.555 1.00 0.66 H new ATOM 0 HG SER A 105 -10.634 -7.963 -4.416 1.00 0.92 H new ATOM 1678 N GLY A 106 -11.705 -5.118 -7.036 1.00 0.71 N ATOM 1679 CA GLY A 106 -12.714 -4.857 -8.060 1.00 0.81 C ATOM 1680 C GLY A 106 -12.452 -5.467 -9.423 1.00 1.00 C ATOM 1681 O GLY A 106 -11.879 -6.549 -9.552 1.00 1.14 O ATOM 0 H GLY A 106 -10.947 -5.735 -7.327 1.00 0.71 H new ATOM 0 HA2 GLY A 106 -13.674 -5.225 -7.698 1.00 0.81 H new ATOM 0 HA3 GLY A 106 -12.811 -3.778 -8.180 1.00 0.81 H new ATOM 1685 N SER A 107 -12.916 -4.774 -10.453 1.00 0.90 N ATOM 1686 CA SER A 107 -12.858 -5.221 -11.839 1.00 1.07 C ATOM 1687 C SER A 107 -11.408 -5.562 -12.257 1.00 1.10 C ATOM 1688 O SER A 107 -10.489 -4.776 -11.993 1.00 1.13 O ATOM 1689 CB SER A 107 -13.482 -4.146 -12.739 1.00 1.25 C ATOM 1690 OG SER A 107 -14.881 -4.063 -12.523 1.00 2.10 O ATOM 0 H SER A 107 -13.356 -3.860 -10.346 1.00 0.90 H new ATOM 0 HA SER A 107 -13.432 -6.141 -11.949 1.00 1.07 H new ATOM 0 HB2 SER A 107 -13.019 -3.180 -12.535 1.00 1.25 H new ATOM 0 HB3 SER A 107 -13.284 -4.380 -13.785 1.00 1.25 H new ATOM 0 HG SER A 107 -15.064 -3.415 -11.811 1.00 2.10 H new ATOM 1696 N PRO A 108 -11.163 -6.714 -12.917 1.00 1.12 N ATOM 1697 CA PRO A 108 -9.808 -7.210 -13.155 1.00 1.15 C ATOM 1698 C PRO A 108 -8.993 -6.294 -14.077 1.00 1.34 C ATOM 1699 O PRO A 108 -7.794 -6.155 -13.868 1.00 1.18 O ATOM 1700 CB PRO A 108 -9.973 -8.622 -13.730 1.00 1.32 C ATOM 1701 CG PRO A 108 -11.375 -8.605 -14.337 1.00 1.33 C ATOM 1702 CD PRO A 108 -12.141 -7.679 -13.395 1.00 1.25 C ATOM 0 HA PRO A 108 -9.235 -7.228 -12.228 1.00 1.15 H new ATOM 0 HB2 PRO A 108 -9.214 -8.839 -14.482 1.00 1.32 H new ATOM 0 HB3 PRO A 108 -9.881 -9.383 -12.955 1.00 1.32 H new ATOM 0 HG2 PRO A 108 -11.369 -8.227 -15.359 1.00 1.33 H new ATOM 0 HG3 PRO A 108 -11.814 -9.602 -14.369 1.00 1.33 H new ATOM 0 HD2 PRO A 108 -12.961 -7.182 -13.914 1.00 1.25 H new ATOM 0 HD3 PRO A 108 -12.579 -8.237 -12.567 1.00 1.25 H new ATOM 1710 N GLU A 109 -9.636 -5.613 -15.032 1.00 1.07 N ATOM 1711 CA GLU A 109 -8.992 -4.588 -15.863 1.00 1.07 C ATOM 1712 C GLU A 109 -8.664 -3.308 -15.062 1.00 1.22 C ATOM 1713 O GLU A 109 -7.639 -2.669 -15.288 1.00 1.52 O ATOM 1714 CB GLU A 109 -9.893 -4.271 -17.068 1.00 1.27 C ATOM 1715 CG GLU A 109 -9.983 -5.435 -18.072 1.00 1.82 C ATOM 1716 CD GLU A 109 -8.782 -5.476 -19.018 1.00 3.90 C ATOM 1717 OE1 GLU A 109 -7.644 -5.725 -18.561 1.00 4.93 O ATOM 1718 OE2 GLU A 109 -8.968 -5.162 -20.212 1.00 5.12 O ATOM 0 H GLU A 109 -10.622 -5.757 -15.252 1.00 1.07 H new ATOM 0 HA GLU A 109 -8.039 -4.983 -16.216 1.00 1.07 H new ATOM 0 HB2 GLU A 109 -10.894 -4.026 -16.712 1.00 1.27 H new ATOM 0 HB3 GLU A 109 -9.511 -3.387 -17.578 1.00 1.27 H new ATOM 0 HG2 GLU A 109 -10.047 -6.377 -17.528 1.00 1.82 H new ATOM 0 HG3 GLU A 109 -10.899 -5.340 -18.655 1.00 1.82 H new ATOM 1725 N ALA A 110 -9.474 -2.959 -14.057 1.00 0.98 N ATOM 1726 CA ALA A 110 -9.204 -1.837 -13.155 1.00 0.97 C ATOM 1727 C ALA A 110 -8.020 -2.164 -12.220 1.00 1.08 C ATOM 1728 O ALA A 110 -7.057 -1.394 -12.133 1.00 1.12 O ATOM 1729 CB ALA A 110 -10.509 -1.505 -12.413 1.00 1.05 C ATOM 0 H ALA A 110 -10.342 -3.452 -13.846 1.00 0.98 H new ATOM 0 HA ALA A 110 -8.894 -0.949 -13.706 1.00 0.97 H new ATOM 0 HB1 ALA A 110 -10.338 -0.671 -11.732 1.00 1.05 H new ATOM 0 HB2 ALA A 110 -11.279 -1.232 -13.135 1.00 1.05 H new ATOM 0 HB3 ALA A 110 -10.836 -2.376 -11.845 1.00 1.05 H new ATOM 1735 N VAL A 111 -8.028 -3.373 -11.643 1.00 0.91 N ATOM 1736 CA VAL A 111 -6.870 -3.947 -10.929 1.00 0.91 C ATOM 1737 C VAL A 111 -5.623 -4.000 -11.836 1.00 1.29 C ATOM 1738 O VAL A 111 -4.525 -3.720 -11.354 1.00 1.11 O ATOM 1739 CB VAL A 111 -7.203 -5.338 -10.320 1.00 0.94 C ATOM 1740 CG1 VAL A 111 -5.982 -6.019 -9.680 1.00 1.24 C ATOM 1741 CG2 VAL A 111 -8.310 -5.217 -9.256 1.00 1.22 C ATOM 0 H VAL A 111 -8.842 -3.988 -11.656 1.00 0.91 H new ATOM 0 HA VAL A 111 -6.637 -3.284 -10.096 1.00 0.91 H new ATOM 0 HB VAL A 111 -7.540 -5.955 -11.153 1.00 0.94 H new ATOM 0 HG11 VAL A 111 -6.277 -6.986 -9.272 1.00 1.24 H new ATOM 0 HG12 VAL A 111 -5.209 -6.164 -10.435 1.00 1.24 H new ATOM 0 HG13 VAL A 111 -5.593 -5.391 -8.879 1.00 1.24 H new ATOM 0 HG21 VAL A 111 -8.527 -6.202 -8.843 1.00 1.22 H new ATOM 0 HG22 VAL A 111 -7.976 -4.554 -8.457 1.00 1.22 H new ATOM 0 HG23 VAL A 111 -9.211 -4.809 -9.713 1.00 1.22 H new ATOM 1751 N ARG A 112 -5.776 -4.281 -13.141 1.00 0.96 N ATOM 1752 CA ARG A 112 -4.690 -4.255 -14.133 1.00 1.01 C ATOM 1753 C ARG A 112 -4.102 -2.843 -14.301 1.00 1.10 C ATOM 1754 O ARG A 112 -2.887 -2.701 -14.164 1.00 1.14 O ATOM 1755 CB ARG A 112 -5.165 -4.917 -15.448 1.00 1.12 C ATOM 1756 CG ARG A 112 -4.185 -4.866 -16.634 1.00 1.84 C ATOM 1757 CD ARG A 112 -4.453 -3.678 -17.575 1.00 3.39 C ATOM 1758 NE ARG A 112 -5.521 -3.930 -18.567 1.00 4.30 N ATOM 1759 CZ ARG A 112 -5.839 -3.127 -19.579 1.00 5.84 C ATOM 1760 NH1 ARG A 112 -5.228 -1.981 -19.777 1.00 6.75 N ATOM 1761 NH2 ARG A 112 -6.803 -3.462 -20.405 1.00 6.86 N ATOM 0 H ARG A 112 -6.677 -4.538 -13.543 1.00 0.96 H new ATOM 0 HA ARG A 112 -3.852 -4.852 -13.773 1.00 1.01 H new ATOM 0 HB2 ARG A 112 -5.396 -5.962 -15.240 1.00 1.12 H new ATOM 0 HB3 ARG A 112 -6.096 -4.440 -15.754 1.00 1.12 H new ATOM 0 HG2 ARG A 112 -3.165 -4.801 -16.255 1.00 1.84 H new ATOM 0 HG3 ARG A 112 -4.256 -5.795 -17.199 1.00 1.84 H new ATOM 0 HD2 ARG A 112 -4.723 -2.807 -16.978 1.00 3.39 H new ATOM 0 HD3 ARG A 112 -3.532 -3.429 -18.102 1.00 3.39 H new ATOM 0 HE ARG A 112 -6.058 -4.791 -18.467 1.00 4.30 H new ATOM 0 HH11 ARG A 112 -4.485 -1.683 -19.145 1.00 6.75 H new ATOM 0 HH12 ARG A 112 -5.497 -1.389 -20.563 1.00 6.75 H new ATOM 0 HH21 ARG A 112 -7.308 -4.338 -20.271 1.00 6.86 H new ATOM 0 HH22 ARG A 112 -7.047 -2.846 -21.181 1.00 6.86 H new ATOM 1775 N GLU A 113 -4.912 -1.801 -14.522 1.00 0.96 N ATOM 1776 CA GLU A 113 -4.388 -0.426 -14.666 1.00 0.95 C ATOM 1777 C GLU A 113 -3.686 0.087 -13.397 1.00 1.08 C ATOM 1778 O GLU A 113 -2.617 0.701 -13.474 1.00 1.13 O ATOM 1779 CB GLU A 113 -5.460 0.564 -15.104 1.00 1.26 C ATOM 1780 CG GLU A 113 -6.081 0.253 -16.467 1.00 1.47 C ATOM 1781 CD GLU A 113 -5.152 0.183 -17.690 1.00 2.34 C ATOM 1782 OE1 GLU A 113 -4.166 -0.589 -17.678 1.00 3.17 O ATOM 1783 OE2 GLU A 113 -5.518 0.761 -18.736 1.00 3.16 O ATOM 0 H GLU A 113 -5.926 -1.876 -14.605 1.00 0.96 H new ATOM 0 HA GLU A 113 -3.640 -0.492 -15.456 1.00 0.95 H new ATOM 0 HB2 GLU A 113 -6.250 0.583 -14.353 1.00 1.26 H new ATOM 0 HB3 GLU A 113 -5.025 1.563 -15.135 1.00 1.26 H new ATOM 0 HG2 GLU A 113 -6.598 -0.703 -16.387 1.00 1.47 H new ATOM 0 HG3 GLU A 113 -6.839 1.010 -16.668 1.00 1.47 H new ATOM 1790 N ALA A 114 -4.242 -0.199 -12.216 1.00 0.81 N ATOM 1791 CA ALA A 114 -3.618 0.146 -10.937 1.00 0.78 C ATOM 1792 C ALA A 114 -2.277 -0.583 -10.746 1.00 0.92 C ATOM 1793 O ALA A 114 -1.274 0.040 -10.399 1.00 0.98 O ATOM 1794 CB ALA A 114 -4.614 -0.178 -9.816 1.00 0.95 C ATOM 0 H ALA A 114 -5.138 -0.677 -12.121 1.00 0.81 H new ATOM 0 HA ALA A 114 -3.383 1.210 -10.916 1.00 0.78 H new ATOM 0 HB1 ALA A 114 -4.170 0.071 -8.852 1.00 0.95 H new ATOM 0 HB2 ALA A 114 -5.524 0.405 -9.958 1.00 0.95 H new ATOM 0 HB3 ALA A 114 -4.856 -1.240 -9.840 1.00 0.95 H new ATOM 1800 N ALA A 115 -2.233 -1.891 -11.022 1.00 0.69 N ATOM 1801 CA ALA A 115 -1.012 -2.689 -10.918 1.00 0.66 C ATOM 1802 C ALA A 115 0.089 -2.190 -11.864 1.00 0.80 C ATOM 1803 O ALA A 115 1.232 -2.026 -11.435 1.00 0.86 O ATOM 1804 CB ALA A 115 -1.369 -4.149 -11.209 1.00 0.72 C ATOM 0 H ALA A 115 -3.047 -2.425 -11.325 1.00 0.69 H new ATOM 0 HA ALA A 115 -0.609 -2.594 -9.910 1.00 0.66 H new ATOM 0 HB1 ALA A 115 -0.472 -4.764 -11.137 1.00 0.72 H new ATOM 0 HB2 ALA A 115 -2.105 -4.495 -10.484 1.00 0.72 H new ATOM 0 HB3 ALA A 115 -1.784 -4.229 -12.214 1.00 0.72 H new ATOM 1810 N GLN A 116 -0.258 -1.896 -13.119 1.00 0.65 N ATOM 1811 CA GLN A 116 0.648 -1.318 -14.118 1.00 0.79 C ATOM 1812 C GLN A 116 1.223 0.025 -13.652 1.00 1.23 C ATOM 1813 O GLN A 116 2.406 0.296 -13.848 1.00 1.42 O ATOM 1814 CB GLN A 116 -0.131 -1.120 -15.433 1.00 1.06 C ATOM 1815 CG GLN A 116 -0.454 -2.436 -16.155 1.00 1.20 C ATOM 1816 CD GLN A 116 0.707 -2.916 -17.019 1.00 2.02 C ATOM 1817 OE1 GLN A 116 1.766 -3.285 -16.542 1.00 2.92 O ATOM 1818 NE2 GLN A 116 0.567 -2.905 -18.326 1.00 2.98 N ATOM 0 H GLN A 116 -1.199 -2.057 -13.479 1.00 0.65 H new ATOM 0 HA GLN A 116 1.485 -2.001 -14.265 1.00 0.79 H new ATOM 0 HB2 GLN A 116 -1.061 -0.594 -15.220 1.00 1.06 H new ATOM 0 HB3 GLN A 116 0.451 -0.482 -16.099 1.00 1.06 H new ATOM 0 HG2 GLN A 116 -0.699 -3.202 -15.419 1.00 1.20 H new ATOM 0 HG3 GLN A 116 -1.337 -2.299 -16.779 1.00 1.20 H new ATOM 0 HE21 GLN A 116 -0.313 -2.599 -18.742 1.00 2.98 H new ATOM 0 HE22 GLN A 116 1.338 -3.202 -18.924 1.00 2.98 H new ATOM 1827 N THR A 117 0.386 0.856 -13.019 1.00 0.78 N ATOM 1828 CA THR A 117 0.726 2.234 -12.626 1.00 0.92 C ATOM 1829 C THR A 117 1.743 2.277 -11.490 1.00 1.20 C ATOM 1830 O THR A 117 2.697 3.060 -11.545 1.00 1.28 O ATOM 1831 CB THR A 117 -0.558 2.987 -12.274 1.00 0.96 C ATOM 1832 OG1 THR A 117 -1.307 3.093 -13.456 1.00 1.18 O ATOM 1833 CG2 THR A 117 -0.285 4.406 -11.785 1.00 1.21 C ATOM 0 H THR A 117 -0.563 0.588 -12.760 1.00 0.78 H new ATOM 0 HA THR A 117 1.207 2.729 -13.470 1.00 0.92 H new ATOM 0 HB THR A 117 -1.070 2.444 -11.479 1.00 0.96 H new ATOM 0 HG1 THR A 117 -1.858 2.291 -13.567 1.00 1.18 H new ATOM 0 HG21 THR A 117 -1.229 4.897 -11.549 1.00 1.21 H new ATOM 0 HG22 THR A 117 0.339 4.369 -10.892 1.00 1.21 H new ATOM 0 HG23 THR A 117 0.230 4.967 -12.565 1.00 1.21 H new ATOM 1841 N PHE A 118 1.528 1.469 -10.449 1.00 1.01 N ATOM 1842 CA PHE A 118 2.469 1.300 -9.339 1.00 1.18 C ATOM 1843 C PHE A 118 3.718 0.485 -9.722 1.00 1.82 C ATOM 1844 O PHE A 118 4.798 0.787 -9.213 1.00 2.13 O ATOM 1845 CB PHE A 118 1.717 0.708 -8.131 1.00 1.19 C ATOM 1846 CG PHE A 118 0.713 1.681 -7.532 1.00 1.40 C ATOM 1847 CD1 PHE A 118 1.172 2.859 -6.916 1.00 1.86 C ATOM 1848 CD2 PHE A 118 -0.671 1.453 -7.633 1.00 2.84 C ATOM 1849 CE1 PHE A 118 0.265 3.840 -6.486 1.00 1.90 C ATOM 1850 CE2 PHE A 118 -1.582 2.428 -7.195 1.00 2.96 C ATOM 1851 CZ PHE A 118 -1.115 3.631 -6.642 1.00 1.90 C ATOM 0 H PHE A 118 0.683 0.906 -10.352 1.00 1.01 H new ATOM 0 HA PHE A 118 2.861 2.280 -9.066 1.00 1.18 H new ATOM 0 HB2 PHE A 118 1.198 -0.199 -8.440 1.00 1.19 H new ATOM 0 HB3 PHE A 118 2.437 0.418 -7.366 1.00 1.19 H new ATOM 0 HD1 PHE A 118 2.232 3.010 -6.773 1.00 1.86 H new ATOM 0 HD2 PHE A 118 -1.035 0.525 -8.049 1.00 2.84 H new ATOM 0 HE1 PHE A 118 0.627 4.753 -6.037 1.00 1.90 H new ATOM 0 HE2 PHE A 118 -2.644 2.252 -7.284 1.00 2.96 H new ATOM 0 HZ PHE A 118 -1.816 4.394 -6.337 1.00 1.90 H new ATOM 1861 N GLY A 119 3.589 -0.510 -10.612 1.00 1.13 N ATOM 1862 CA GLY A 119 4.637 -1.499 -10.922 1.00 1.19 C ATOM 1863 C GLY A 119 4.489 -2.797 -10.124 1.00 1.34 C ATOM 1864 O GLY A 119 5.478 -3.346 -9.643 1.00 1.75 O ATOM 0 H GLY A 119 2.734 -0.654 -11.150 1.00 1.13 H new ATOM 0 HA2 GLY A 119 4.609 -1.729 -11.987 1.00 1.19 H new ATOM 0 HA3 GLY A 119 5.614 -1.062 -10.716 1.00 1.19 H new ATOM 1868 N VAL A 120 3.254 -3.275 -9.975 1.00 0.91 N ATOM 1869 CA VAL A 120 2.887 -4.560 -9.353 1.00 0.86 C ATOM 1870 C VAL A 120 2.749 -5.616 -10.448 1.00 0.79 C ATOM 1871 O VAL A 120 2.188 -5.344 -11.510 1.00 0.93 O ATOM 1872 CB VAL A 120 1.551 -4.467 -8.580 1.00 1.00 C ATOM 1873 CG1 VAL A 120 1.086 -5.811 -7.985 1.00 1.08 C ATOM 1874 CG2 VAL A 120 1.645 -3.455 -7.436 1.00 1.61 C ATOM 0 H VAL A 120 2.438 -2.756 -10.299 1.00 0.91 H new ATOM 0 HA VAL A 120 3.670 -4.827 -8.644 1.00 0.86 H new ATOM 0 HB VAL A 120 0.819 -4.150 -9.323 1.00 1.00 H new ATOM 0 HG11 VAL A 120 0.143 -5.668 -7.457 1.00 1.08 H new ATOM 0 HG12 VAL A 120 0.947 -6.536 -8.787 1.00 1.08 H new ATOM 0 HG13 VAL A 120 1.839 -6.181 -7.289 1.00 1.08 H new ATOM 0 HG21 VAL A 120 0.691 -3.411 -6.910 1.00 1.61 H new ATOM 0 HG22 VAL A 120 2.428 -3.762 -6.742 1.00 1.61 H new ATOM 0 HG23 VAL A 120 1.883 -2.471 -7.840 1.00 1.61 H new ATOM 1884 N PHE A 121 3.207 -6.835 -10.151 1.00 0.78 N ATOM 1885 CA PHE A 121 3.021 -7.997 -11.011 1.00 0.77 C ATOM 1886 C PHE A 121 2.653 -9.244 -10.198 1.00 1.57 C ATOM 1887 O PHE A 121 3.050 -9.419 -9.043 1.00 1.62 O ATOM 1888 CB PHE A 121 4.276 -8.199 -11.874 1.00 0.85 C ATOM 1889 CG PHE A 121 5.577 -8.357 -11.109 1.00 0.94 C ATOM 1890 CD1 PHE A 121 5.983 -9.629 -10.662 1.00 1.96 C ATOM 1891 CD2 PHE A 121 6.385 -7.232 -10.846 1.00 2.28 C ATOM 1892 CE1 PHE A 121 7.204 -9.783 -9.979 1.00 1.98 C ATOM 1893 CE2 PHE A 121 7.607 -7.389 -10.169 1.00 2.18 C ATOM 1894 CZ PHE A 121 8.023 -8.664 -9.747 1.00 1.08 C ATOM 0 H PHE A 121 3.723 -7.041 -9.295 1.00 0.78 H new ATOM 0 HA PHE A 121 2.178 -7.821 -11.679 1.00 0.77 H new ATOM 0 HB2 PHE A 121 4.130 -9.083 -12.495 1.00 0.85 H new ATOM 0 HB3 PHE A 121 4.373 -7.348 -12.549 1.00 0.85 H new ATOM 0 HD1 PHE A 121 5.356 -10.489 -10.844 1.00 1.96 H new ATOM 0 HD2 PHE A 121 6.066 -6.251 -11.164 1.00 2.28 H new ATOM 0 HE1 PHE A 121 7.511 -10.759 -9.634 1.00 1.98 H new ATOM 0 HE2 PHE A 121 8.228 -6.528 -9.972 1.00 2.18 H new ATOM 0 HZ PHE A 121 8.972 -8.784 -9.245 1.00 1.08 H new ATOM 1904 N TYR A 122 1.879 -10.120 -10.830 1.00 0.78 N ATOM 1905 CA TYR A 122 1.461 -11.401 -10.270 1.00 0.87 C ATOM 1906 C TYR A 122 1.427 -12.513 -11.332 1.00 1.39 C ATOM 1907 O TYR A 122 1.304 -12.246 -12.527 1.00 1.59 O ATOM 1908 CB TYR A 122 0.124 -11.238 -9.523 1.00 0.97 C ATOM 1909 CG TYR A 122 -0.955 -10.467 -10.270 1.00 0.97 C ATOM 1910 CD1 TYR A 122 -1.589 -11.035 -11.393 1.00 2.20 C ATOM 1911 CD2 TYR A 122 -1.322 -9.172 -9.844 1.00 1.80 C ATOM 1912 CE1 TYR A 122 -2.584 -10.319 -12.083 1.00 2.24 C ATOM 1913 CE2 TYR A 122 -2.329 -8.455 -10.521 1.00 1.98 C ATOM 1914 CZ TYR A 122 -2.966 -9.031 -11.644 1.00 1.34 C ATOM 1915 OH TYR A 122 -3.945 -8.361 -12.310 1.00 1.68 O ATOM 0 H TYR A 122 1.516 -9.955 -11.769 1.00 0.78 H new ATOM 0 HA TYR A 122 2.206 -11.723 -9.543 1.00 0.87 H new ATOM 0 HB2 TYR A 122 -0.262 -12.229 -9.284 1.00 0.97 H new ATOM 0 HB3 TYR A 122 0.316 -10.734 -8.576 1.00 0.97 H new ATOM 0 HD1 TYR A 122 -1.310 -12.024 -11.725 1.00 2.20 H new ATOM 0 HD2 TYR A 122 -0.827 -8.727 -8.993 1.00 1.80 H new ATOM 0 HE1 TYR A 122 -3.057 -10.755 -12.951 1.00 2.24 H new ATOM 0 HE2 TYR A 122 -2.613 -7.469 -10.183 1.00 1.98 H new ATOM 0 HH TYR A 122 -4.093 -7.490 -11.885 1.00 1.68 H new ATOM 1925 N GLN A 123 1.525 -13.762 -10.891 1.00 1.08 N ATOM 1926 CA GLN A 123 1.443 -14.962 -11.726 1.00 1.33 C ATOM 1927 C GLN A 123 0.639 -16.019 -10.957 1.00 1.35 C ATOM 1928 O GLN A 123 0.390 -15.871 -9.764 1.00 1.38 O ATOM 1929 CB GLN A 123 2.875 -15.402 -12.114 1.00 1.58 C ATOM 1930 CG GLN A 123 2.986 -16.687 -12.954 1.00 2.60 C ATOM 1931 CD GLN A 123 4.435 -17.020 -13.305 1.00 3.27 C ATOM 1932 OE1 GLN A 123 4.866 -16.910 -14.442 1.00 3.58 O ATOM 1933 NE2 GLN A 123 5.233 -17.427 -12.344 1.00 4.07 N ATOM 0 H GLN A 123 1.669 -13.978 -9.905 1.00 1.08 H new ATOM 0 HA GLN A 123 0.919 -14.786 -12.666 1.00 1.33 H new ATOM 0 HB2 GLN A 123 3.345 -14.589 -12.667 1.00 1.58 H new ATOM 0 HB3 GLN A 123 3.451 -15.540 -11.199 1.00 1.58 H new ATOM 0 HG2 GLN A 123 2.546 -17.519 -12.403 1.00 2.60 H new ATOM 0 HG3 GLN A 123 2.409 -16.571 -13.871 1.00 2.60 H new ATOM 0 HE21 GLN A 123 4.879 -17.521 -11.392 1.00 4.07 H new ATOM 0 HE22 GLN A 123 6.207 -17.649 -12.550 1.00 4.07 H new ATOM 1942 N LYS A 124 0.173 -17.068 -11.633 1.00 1.55 N ATOM 1943 CA LYS A 124 -0.607 -18.154 -11.031 1.00 1.35 C ATOM 1944 C LYS A 124 -0.164 -19.509 -11.602 1.00 1.63 C ATOM 1945 O LYS A 124 0.277 -19.594 -12.750 1.00 2.22 O ATOM 1946 CB LYS A 124 -2.102 -17.869 -11.293 1.00 1.47 C ATOM 1947 CG LYS A 124 -3.049 -18.714 -10.426 1.00 2.35 C ATOM 1948 CD LYS A 124 -4.511 -18.520 -10.837 1.00 2.27 C ATOM 1949 CE LYS A 124 -5.413 -19.386 -9.948 1.00 3.51 C ATOM 1950 NZ LYS A 124 -6.823 -19.318 -10.385 1.00 3.92 N ATOM 0 H LYS A 124 0.329 -17.191 -12.633 1.00 1.55 H new ATOM 0 HA LYS A 124 -0.440 -18.202 -9.955 1.00 1.35 H new ATOM 0 HB2 LYS A 124 -2.300 -16.813 -11.110 1.00 1.47 H new ATOM 0 HB3 LYS A 124 -2.321 -18.056 -12.344 1.00 1.47 H new ATOM 0 HG2 LYS A 124 -2.782 -19.767 -10.514 1.00 2.35 H new ATOM 0 HG3 LYS A 124 -2.925 -18.441 -9.378 1.00 2.35 H new ATOM 0 HD2 LYS A 124 -4.790 -17.470 -10.743 1.00 2.27 H new ATOM 0 HD3 LYS A 124 -4.645 -18.793 -11.884 1.00 2.27 H new ATOM 0 HE2 LYS A 124 -5.071 -20.420 -9.977 1.00 3.51 H new ATOM 0 HE3 LYS A 124 -5.334 -19.053 -8.913 1.00 3.51 H new ATOM 0 HZ1 LYS A 124 -7.415 -19.873 -9.734 1.00 3.92 H new ATOM 0 HZ2 LYS A 124 -7.140 -18.327 -10.382 1.00 3.92 H new ATOM 0 HZ3 LYS A 124 -6.908 -19.706 -11.346 1.00 3.92 H new ATOM 2120 N VAL A 135 -0.220 -18.799 -6.334 1.00 1.59 N ATOM 2121 CA VAL A 135 -0.210 -17.414 -6.829 1.00 1.34 C ATOM 2122 C VAL A 135 1.070 -16.700 -6.372 1.00 1.56 C ATOM 2123 O VAL A 135 1.395 -16.713 -5.185 1.00 1.55 O ATOM 2124 CB VAL A 135 -1.496 -16.650 -6.416 1.00 1.47 C ATOM 2125 CG1 VAL A 135 -1.713 -16.568 -4.892 1.00 2.36 C ATOM 2126 CG2 VAL A 135 -1.561 -15.233 -7.011 1.00 1.98 C ATOM 0 HA VAL A 135 -0.208 -17.433 -7.919 1.00 1.34 H new ATOM 0 HB VAL A 135 -2.302 -17.252 -6.835 1.00 1.47 H new ATOM 0 HG11 VAL A 135 -2.632 -16.019 -4.684 1.00 2.36 H new ATOM 0 HG12 VAL A 135 -1.791 -17.575 -4.481 1.00 2.36 H new ATOM 0 HG13 VAL A 135 -0.870 -16.052 -4.432 1.00 2.36 H new ATOM 0 HG21 VAL A 135 -2.481 -14.745 -6.689 1.00 1.98 H new ATOM 0 HG22 VAL A 135 -0.704 -14.654 -6.667 1.00 1.98 H new ATOM 0 HG23 VAL A 135 -1.544 -15.294 -8.099 1.00 1.98 H new ATOM 2136 N ASP A 136 1.793 -16.089 -7.311 1.00 1.14 N ATOM 2137 CA ASP A 136 3.093 -15.436 -7.106 1.00 1.20 C ATOM 2138 C ASP A 136 2.906 -13.910 -7.108 1.00 1.23 C ATOM 2139 O ASP A 136 2.183 -13.384 -7.951 1.00 1.28 O ATOM 2140 CB ASP A 136 4.078 -15.834 -8.221 1.00 1.45 C ATOM 2141 CG ASP A 136 4.096 -17.328 -8.578 1.00 2.73 C ATOM 2142 OD1 ASP A 136 4.176 -18.162 -7.648 1.00 3.62 O ATOM 2143 OD2 ASP A 136 4.054 -17.627 -9.797 1.00 3.72 O ATOM 0 H ASP A 136 1.477 -16.031 -8.279 1.00 1.14 H new ATOM 0 HA ASP A 136 3.500 -15.757 -6.147 1.00 1.20 H new ATOM 0 HB2 ASP A 136 3.834 -15.266 -9.119 1.00 1.45 H new ATOM 0 HB3 ASP A 136 5.082 -15.537 -7.919 1.00 1.45 H new ATOM 2148 N HIS A 137 3.493 -13.188 -6.150 1.00 1.20 N ATOM 2149 CA HIS A 137 3.167 -11.777 -5.889 1.00 1.14 C ATOM 2150 C HIS A 137 4.373 -10.941 -5.404 1.00 1.32 C ATOM 2151 O HIS A 137 5.126 -11.387 -4.540 1.00 1.49 O ATOM 2152 CB HIS A 137 1.993 -11.741 -4.892 1.00 1.53 C ATOM 2153 CG HIS A 137 2.124 -12.705 -3.732 1.00 2.25 C ATOM 2154 ND1 HIS A 137 1.603 -13.981 -3.674 1.00 3.59 N ATOM 2155 CD2 HIS A 137 2.859 -12.525 -2.590 1.00 2.99 C ATOM 2156 CE1 HIS A 137 2.006 -14.545 -2.525 1.00 4.05 C ATOM 2157 NE2 HIS A 137 2.769 -13.691 -1.822 1.00 3.52 N ATOM 0 H HIS A 137 4.210 -13.564 -5.530 1.00 1.20 H new ATOM 0 HA HIS A 137 2.880 -11.304 -6.828 1.00 1.14 H new ATOM 0 HB2 HIS A 137 1.899 -10.729 -4.498 1.00 1.53 H new ATOM 0 HB3 HIS A 137 1.070 -11.962 -5.429 1.00 1.53 H new ATOM 0 HD2 HIS A 137 3.413 -11.636 -2.328 1.00 2.99 H new ATOM 0 HE1 HIS A 137 1.752 -15.546 -2.209 1.00 4.05 H new ATOM 0 HE2 HIS A 137 3.197 -13.859 -0.911 1.00 3.52 H new ATOM 2166 N THR A 138 4.536 -9.704 -5.910 1.00 1.01 N ATOM 2167 CA THR A 138 5.705 -8.831 -5.621 1.00 1.02 C ATOM 2168 C THR A 138 5.831 -8.370 -4.162 1.00 1.63 C ATOM 2169 O THR A 138 6.932 -8.055 -3.734 1.00 3.26 O ATOM 2170 CB THR A 138 5.709 -7.596 -6.536 1.00 0.95 C ATOM 2171 OG1 THR A 138 5.186 -7.901 -7.804 1.00 1.46 O ATOM 2172 CG2 THR A 138 7.111 -7.031 -6.759 1.00 1.36 C ATOM 0 H THR A 138 3.857 -9.272 -6.537 1.00 1.01 H new ATOM 0 HA THR A 138 6.568 -9.467 -5.819 1.00 1.02 H new ATOM 0 HB THR A 138 5.093 -6.858 -6.022 1.00 0.95 H new ATOM 0 HG1 THR A 138 5.853 -7.695 -8.491 1.00 1.46 H new ATOM 0 HG21 THR A 138 7.053 -6.161 -7.412 1.00 1.36 H new ATOM 0 HG22 THR A 138 7.542 -6.738 -5.802 1.00 1.36 H new ATOM 0 HG23 THR A 138 7.740 -7.791 -7.222 1.00 1.36 H new ATOM 2180 N ALA A 139 4.724 -8.291 -3.411 1.00 0.64 N ATOM 2181 CA ALA A 139 4.680 -7.987 -1.964 1.00 0.72 C ATOM 2182 C ALA A 139 5.134 -6.553 -1.579 1.00 0.85 C ATOM 2183 O ALA A 139 5.545 -6.314 -0.442 1.00 1.49 O ATOM 2184 CB ALA A 139 5.441 -9.079 -1.186 1.00 1.03 C ATOM 0 H ALA A 139 3.795 -8.442 -3.805 1.00 0.64 H new ATOM 0 HA ALA A 139 3.630 -8.000 -1.673 1.00 0.72 H new ATOM 0 HB1 ALA A 139 5.409 -8.855 -0.120 1.00 1.03 H new ATOM 0 HB2 ALA A 139 4.975 -10.047 -1.368 1.00 1.03 H new ATOM 0 HB3 ALA A 139 6.478 -9.107 -1.520 1.00 1.03 H new ATOM 2190 N THR A 140 5.051 -5.585 -2.500 1.00 0.54 N ATOM 2191 CA THR A 140 5.696 -4.263 -2.372 1.00 0.54 C ATOM 2192 C THR A 140 4.767 -3.226 -1.740 1.00 0.77 C ATOM 2193 O THR A 140 3.560 -3.220 -1.985 1.00 1.05 O ATOM 2194 CB THR A 140 6.151 -3.782 -3.760 1.00 0.67 C ATOM 2195 OG1 THR A 140 7.115 -4.686 -4.234 1.00 0.99 O ATOM 2196 CG2 THR A 140 6.814 -2.404 -3.792 1.00 0.88 C ATOM 0 H THR A 140 4.528 -5.695 -3.369 1.00 0.54 H new ATOM 0 HA THR A 140 6.556 -4.373 -1.711 1.00 0.54 H new ATOM 0 HB THR A 140 5.243 -3.721 -4.360 1.00 0.67 H new ATOM 0 HG1 THR A 140 7.421 -4.403 -5.121 1.00 0.99 H new ATOM 0 HG21 THR A 140 7.097 -2.160 -4.816 1.00 0.88 H new ATOM 0 HG22 THR A 140 6.115 -1.655 -3.420 1.00 0.88 H new ATOM 0 HG23 THR A 140 7.704 -2.414 -3.162 1.00 0.88 H new ATOM 2204 N THR A 141 5.380 -2.305 -0.985 1.00 0.60 N ATOM 2205 CA THR A 141 4.821 -1.030 -0.523 1.00 0.54 C ATOM 2206 C THR A 141 5.304 0.099 -1.434 1.00 0.82 C ATOM 2207 O THR A 141 6.498 0.231 -1.710 1.00 0.89 O ATOM 2208 CB THR A 141 5.234 -0.755 0.928 1.00 0.59 C ATOM 2209 OG1 THR A 141 4.751 -1.795 1.746 1.00 1.20 O ATOM 2210 CG2 THR A 141 4.648 0.548 1.473 1.00 1.19 C ATOM 0 H THR A 141 6.338 -2.439 -0.661 1.00 0.60 H new ATOM 0 HA THR A 141 3.733 -1.085 -0.563 1.00 0.54 H new ATOM 0 HB THR A 141 6.322 -0.683 0.938 1.00 0.59 H new ATOM 0 HG1 THR A 141 3.900 -2.124 1.388 1.00 1.20 H new ATOM 0 HG21 THR A 141 4.974 0.691 2.503 1.00 1.19 H new ATOM 0 HG22 THR A 141 4.992 1.384 0.865 1.00 1.19 H new ATOM 0 HG23 THR A 141 3.560 0.499 1.440 1.00 1.19 H new ATOM 2218 N PHE A 142 4.364 0.946 -1.855 1.00 0.56 N ATOM 2219 CA PHE A 142 4.595 2.122 -2.694 1.00 0.57 C ATOM 2220 C PHE A 142 4.267 3.399 -1.913 1.00 1.75 C ATOM 2221 O PHE A 142 3.177 3.533 -1.353 1.00 2.09 O ATOM 2222 CB PHE A 142 3.724 2.034 -3.961 1.00 0.60 C ATOM 2223 CG PHE A 142 3.874 0.737 -4.728 1.00 0.81 C ATOM 2224 CD1 PHE A 142 3.063 -0.368 -4.406 1.00 2.08 C ATOM 2225 CD2 PHE A 142 4.838 0.625 -5.746 1.00 1.67 C ATOM 2226 CE1 PHE A 142 3.231 -1.582 -5.087 1.00 2.21 C ATOM 2227 CE2 PHE A 142 5.012 -0.596 -6.418 1.00 1.46 C ATOM 2228 CZ PHE A 142 4.210 -1.700 -6.089 1.00 1.12 C ATOM 0 H PHE A 142 3.381 0.826 -1.611 1.00 0.56 H new ATOM 0 HA PHE A 142 5.645 2.153 -2.986 1.00 0.57 H new ATOM 0 HB2 PHE A 142 2.678 2.157 -3.679 1.00 0.60 H new ATOM 0 HB3 PHE A 142 3.976 2.864 -4.620 1.00 0.60 H new ATOM 0 HD1 PHE A 142 2.312 -0.281 -3.635 1.00 2.08 H new ATOM 0 HD2 PHE A 142 5.445 1.478 -6.011 1.00 1.67 H new ATOM 0 HE1 PHE A 142 2.607 -2.428 -4.841 1.00 2.21 H new ATOM 0 HE2 PHE A 142 5.763 -0.686 -7.188 1.00 1.46 H new ATOM 0 HZ PHE A 142 4.345 -2.639 -6.605 1.00 1.12 H new ATOM 2238 N VAL A 143 5.182 4.370 -1.918 1.00 0.51 N ATOM 2239 CA VAL A 143 4.965 5.680 -1.287 1.00 0.47 C ATOM 2240 C VAL A 143 4.652 6.704 -2.362 1.00 0.78 C ATOM 2241 O VAL A 143 5.458 6.943 -3.267 1.00 1.00 O ATOM 2242 CB VAL A 143 6.160 6.159 -0.436 1.00 0.51 C ATOM 2243 CG1 VAL A 143 5.801 7.455 0.311 1.00 0.59 C ATOM 2244 CG2 VAL A 143 6.528 5.104 0.609 1.00 0.88 C ATOM 0 H VAL A 143 6.097 4.273 -2.359 1.00 0.51 H new ATOM 0 HA VAL A 143 4.126 5.570 -0.600 1.00 0.47 H new ATOM 0 HB VAL A 143 6.999 6.331 -1.111 1.00 0.51 H new ATOM 0 HG11 VAL A 143 6.654 7.780 0.907 1.00 0.59 H new ATOM 0 HG12 VAL A 143 5.545 8.231 -0.410 1.00 0.59 H new ATOM 0 HG13 VAL A 143 4.949 7.273 0.966 1.00 0.59 H new ATOM 0 HG21 VAL A 143 7.372 5.457 1.201 1.00 0.88 H new ATOM 0 HG22 VAL A 143 5.675 4.927 1.264 1.00 0.88 H new ATOM 0 HG23 VAL A 143 6.799 4.175 0.108 1.00 0.88 H new ATOM 2254 N VAL A 144 3.483 7.326 -2.218 1.00 0.49 N ATOM 2255 CA VAL A 144 3.088 8.510 -2.988 1.00 0.49 C ATOM 2256 C VAL A 144 2.896 9.731 -2.089 1.00 0.95 C ATOM 2257 O VAL A 144 2.394 9.634 -0.966 1.00 0.98 O ATOM 2258 CB VAL A 144 1.843 8.312 -3.885 1.00 0.58 C ATOM 2259 CG1 VAL A 144 2.073 7.231 -4.949 1.00 1.90 C ATOM 2260 CG2 VAL A 144 0.562 8.009 -3.108 1.00 2.29 C ATOM 0 H VAL A 144 2.772 7.019 -1.554 1.00 0.49 H new ATOM 0 HA VAL A 144 3.925 8.683 -3.664 1.00 0.49 H new ATOM 0 HB VAL A 144 1.698 9.275 -4.375 1.00 0.58 H new ATOM 0 HG11 VAL A 144 1.175 7.123 -5.558 1.00 1.90 H new ATOM 0 HG12 VAL A 144 2.910 7.519 -5.585 1.00 1.90 H new ATOM 0 HG13 VAL A 144 2.297 6.282 -4.461 1.00 1.90 H new ATOM 0 HG21 VAL A 144 -0.266 7.883 -3.806 1.00 2.29 H new ATOM 0 HG22 VAL A 144 0.694 7.093 -2.532 1.00 2.29 H new ATOM 0 HG23 VAL A 144 0.343 8.835 -2.431 1.00 2.29 H new ATOM 2270 N LYS A 145 3.276 10.882 -2.643 1.00 0.59 N ATOM 2271 CA LYS A 145 3.094 12.226 -2.096 1.00 0.73 C ATOM 2272 C LYS A 145 2.459 13.092 -3.194 1.00 0.94 C ATOM 2273 O LYS A 145 2.975 13.105 -4.312 1.00 1.18 O ATOM 2274 CB LYS A 145 4.488 12.750 -1.710 1.00 0.91 C ATOM 2275 CG LYS A 145 4.469 14.124 -1.031 1.00 1.22 C ATOM 2276 CD LYS A 145 5.857 14.776 -1.066 1.00 2.16 C ATOM 2277 CE LYS A 145 6.068 15.857 0.001 1.00 2.29 C ATOM 2278 NZ LYS A 145 4.915 16.759 0.177 1.00 1.72 N ATOM 0 H LYS A 145 3.751 10.901 -3.546 1.00 0.59 H new ATOM 0 HA LYS A 145 2.448 12.241 -1.218 1.00 0.73 H new ATOM 0 HB2 LYS A 145 4.963 12.032 -1.042 1.00 0.91 H new ATOM 0 HB3 LYS A 145 5.105 12.807 -2.607 1.00 0.91 H new ATOM 0 HG2 LYS A 145 3.747 14.770 -1.531 1.00 1.22 H new ATOM 0 HG3 LYS A 145 4.139 14.018 0.003 1.00 1.22 H new ATOM 0 HD2 LYS A 145 6.614 14.002 -0.938 1.00 2.16 H new ATOM 0 HD3 LYS A 145 6.015 15.217 -2.050 1.00 2.16 H new ATOM 0 HE2 LYS A 145 6.288 15.375 0.954 1.00 2.29 H new ATOM 0 HE3 LYS A 145 6.943 16.450 -0.265 1.00 2.29 H new ATOM 0 HZ1 LYS A 145 5.139 17.471 0.901 1.00 1.72 H new ATOM 0 HZ2 LYS A 145 4.706 17.235 -0.724 1.00 1.72 H new ATOM 0 HZ3 LYS A 145 4.086 16.208 0.478 1.00 1.72 H new ATOM 2292 N GLU A 146 1.325 13.746 -2.932 1.00 1.09 N ATOM 2293 CA GLU A 146 0.645 14.658 -3.882 1.00 1.40 C ATOM 2294 C GLU A 146 0.151 13.918 -5.155 1.00 1.63 C ATOM 2295 O GLU A 146 -0.079 14.526 -6.198 1.00 1.97 O ATOM 2296 CB GLU A 146 1.550 15.868 -4.229 1.00 1.60 C ATOM 2297 CG GLU A 146 1.947 16.742 -3.022 1.00 2.27 C ATOM 2298 CD GLU A 146 3.299 17.430 -3.247 1.00 2.53 C ATOM 2299 OE1 GLU A 146 3.492 18.024 -4.331 1.00 2.49 O ATOM 2300 OE2 GLU A 146 4.199 17.279 -2.392 1.00 3.30 O ATOM 0 H GLU A 146 0.837 13.662 -2.040 1.00 1.09 H new ATOM 0 HA GLU A 146 -0.247 15.041 -3.386 1.00 1.40 H new ATOM 0 HB2 GLU A 146 2.457 15.500 -4.708 1.00 1.60 H new ATOM 0 HB3 GLU A 146 1.035 16.492 -4.959 1.00 1.60 H new ATOM 0 HG2 GLU A 146 1.179 17.495 -2.849 1.00 2.27 H new ATOM 0 HG3 GLU A 146 1.996 16.125 -2.125 1.00 2.27 H new ATOM 2307 N GLY A 147 0.023 12.583 -5.114 1.00 1.32 N ATOM 2308 CA GLY A 147 -0.303 11.758 -6.283 1.00 1.36 C ATOM 2309 C GLY A 147 0.858 11.540 -7.254 1.00 1.04 C ATOM 2310 O GLY A 147 0.626 11.401 -8.452 1.00 1.12 O ATOM 0 H GLY A 147 0.145 12.042 -4.258 1.00 1.32 H new ATOM 0 HA2 GLY A 147 -0.658 10.787 -5.938 1.00 1.36 H new ATOM 0 HA3 GLY A 147 -1.127 12.225 -6.822 1.00 1.36 H new ATOM 2314 N ARG A 148 2.102 11.482 -6.769 1.00 0.86 N ATOM 2315 CA ARG A 148 3.251 10.999 -7.544 1.00 0.74 C ATOM 2316 C ARG A 148 4.108 10.021 -6.741 1.00 1.09 C ATOM 2317 O ARG A 148 4.243 10.151 -5.525 1.00 1.30 O ATOM 2318 CB ARG A 148 4.084 12.159 -8.109 1.00 0.87 C ATOM 2319 CG ARG A 148 4.451 13.197 -7.060 1.00 1.32 C ATOM 2320 CD ARG A 148 5.404 14.247 -7.633 1.00 1.39 C ATOM 2321 NE ARG A 148 4.735 15.549 -7.793 1.00 1.73 N ATOM 2322 CZ ARG A 148 4.572 16.458 -6.837 1.00 2.60 C ATOM 2323 NH1 ARG A 148 5.233 16.438 -5.702 1.00 3.69 N ATOM 2324 NH2 ARG A 148 3.704 17.430 -6.974 1.00 3.04 N ATOM 0 H ARG A 148 2.343 11.771 -5.821 1.00 0.86 H new ATOM 0 HA ARG A 148 2.853 10.447 -8.396 1.00 0.74 H new ATOM 0 HB2 ARG A 148 4.997 11.761 -8.552 1.00 0.87 H new ATOM 0 HB3 ARG A 148 3.525 12.643 -8.910 1.00 0.87 H new ATOM 0 HG2 ARG A 148 3.547 13.683 -6.694 1.00 1.32 H new ATOM 0 HG3 ARG A 148 4.917 12.706 -6.206 1.00 1.32 H new ATOM 0 HD2 ARG A 148 6.265 14.357 -6.974 1.00 1.39 H new ATOM 0 HD3 ARG A 148 5.782 13.909 -8.598 1.00 1.39 H new ATOM 0 HE ARG A 148 4.365 15.773 -8.717 1.00 1.73 H new ATOM 0 HH11 ARG A 148 5.911 15.698 -5.520 1.00 3.69 H new ATOM 0 HH12 ARG A 148 5.068 17.162 -5.003 1.00 3.69 H new ATOM 0 HH21 ARG A 148 3.142 17.496 -7.823 1.00 3.04 H new ATOM 0 HH22 ARG A 148 3.590 18.120 -6.232 1.00 3.04 H new ATOM 2338 N LEU A 149 4.675 9.041 -7.444 1.00 0.57 N ATOM 2339 CA LEU A 149 5.521 7.976 -6.908 1.00 0.55 C ATOM 2340 C LEU A 149 6.848 8.591 -6.454 1.00 0.88 C ATOM 2341 O LEU A 149 7.589 9.104 -7.287 1.00 1.19 O ATOM 2342 CB LEU A 149 5.744 6.895 -7.999 1.00 0.69 C ATOM 2343 CG LEU A 149 5.567 5.419 -7.587 1.00 0.99 C ATOM 2344 CD1 LEU A 149 6.148 5.070 -6.209 1.00 1.46 C ATOM 2345 CD2 LEU A 149 4.094 5.004 -7.634 1.00 2.63 C ATOM 0 H LEU A 149 4.550 8.965 -8.453 1.00 0.57 H new ATOM 0 HA LEU A 149 5.044 7.497 -6.053 1.00 0.55 H new ATOM 0 HB2 LEU A 149 5.057 7.099 -8.820 1.00 0.69 H new ATOM 0 HB3 LEU A 149 6.754 7.016 -8.391 1.00 0.69 H new ATOM 0 HG LEU A 149 6.142 4.857 -8.322 1.00 0.99 H new ATOM 0 HD11 LEU A 149 5.979 4.014 -6.000 1.00 1.46 H new ATOM 0 HD12 LEU A 149 7.219 5.275 -6.203 1.00 1.46 H new ATOM 0 HD13 LEU A 149 5.659 5.674 -5.444 1.00 1.46 H new ATOM 0 HD21 LEU A 149 4.001 3.959 -7.339 1.00 2.63 H new ATOM 0 HD22 LEU A 149 3.518 5.627 -6.950 1.00 2.63 H new ATOM 0 HD23 LEU A 149 3.713 5.130 -8.647 1.00 2.63 H new ATOM 2357 N VAL A 150 7.125 8.540 -5.155 1.00 0.55 N ATOM 2358 CA VAL A 150 8.321 9.160 -4.539 1.00 0.61 C ATOM 2359 C VAL A 150 9.240 8.159 -3.825 1.00 0.98 C ATOM 2360 O VAL A 150 10.406 8.473 -3.583 1.00 1.12 O ATOM 2361 CB VAL A 150 7.930 10.282 -3.552 1.00 0.70 C ATOM 2362 CG1 VAL A 150 7.442 11.521 -4.313 1.00 1.47 C ATOM 2363 CG2 VAL A 150 6.856 9.832 -2.549 1.00 1.37 C ATOM 0 H VAL A 150 6.525 8.064 -4.481 1.00 0.55 H new ATOM 0 HA VAL A 150 8.882 9.578 -5.375 1.00 0.61 H new ATOM 0 HB VAL A 150 8.827 10.530 -2.985 1.00 0.70 H new ATOM 0 HG11 VAL A 150 7.171 12.301 -3.602 1.00 1.47 H new ATOM 0 HG12 VAL A 150 8.237 11.884 -4.965 1.00 1.47 H new ATOM 0 HG13 VAL A 150 6.571 11.259 -4.914 1.00 1.47 H new ATOM 0 HG21 VAL A 150 6.617 10.657 -1.878 1.00 1.37 H new ATOM 0 HG22 VAL A 150 5.958 9.531 -3.088 1.00 1.37 H new ATOM 0 HG23 VAL A 150 7.231 8.989 -1.968 1.00 1.37 H new ATOM 2373 N LEU A 151 8.747 6.947 -3.522 1.00 0.58 N ATOM 2374 CA LEU A 151 9.548 5.899 -2.875 1.00 0.62 C ATOM 2375 C LEU A 151 8.979 4.483 -3.031 1.00 1.14 C ATOM 2376 O LEU A 151 7.760 4.293 -3.112 1.00 1.32 O ATOM 2377 CB LEU A 151 9.765 6.249 -1.386 1.00 0.66 C ATOM 2378 CG LEU A 151 11.252 6.199 -0.984 1.00 0.99 C ATOM 2379 CD1 LEU A 151 11.752 7.556 -0.491 1.00 1.22 C ATOM 2380 CD2 LEU A 151 11.503 5.161 0.100 1.00 1.02 C ATOM 0 H LEU A 151 7.786 6.668 -3.718 1.00 0.58 H new ATOM 0 HA LEU A 151 10.505 5.878 -3.396 1.00 0.62 H new ATOM 0 HB2 LEU A 151 9.371 7.246 -1.188 1.00 0.66 H new ATOM 0 HB3 LEU A 151 9.200 5.554 -0.766 1.00 0.66 H new ATOM 0 HG LEU A 151 11.801 5.922 -1.884 1.00 0.99 H new ATOM 0 HD11 LEU A 151 12.804 7.479 -0.217 1.00 1.22 H new ATOM 0 HD12 LEU A 151 11.636 8.296 -1.283 1.00 1.22 H new ATOM 0 HD13 LEU A 151 11.172 7.863 0.380 1.00 1.22 H new ATOM 0 HD21 LEU A 151 12.562 5.154 0.358 1.00 1.02 H new ATOM 0 HD22 LEU A 151 10.915 5.409 0.984 1.00 1.02 H new ATOM 0 HD23 LEU A 151 11.212 4.176 -0.265 1.00 1.02 H new ATOM 2392 N LEU A 152 9.882 3.498 -3.008 1.00 0.60 N ATOM 2393 CA LEU A 152 9.584 2.058 -2.978 1.00 0.58 C ATOM 2394 C LEU A 152 10.187 1.393 -1.731 1.00 1.06 C ATOM 2395 O LEU A 152 11.280 1.758 -1.289 1.00 1.12 O ATOM 2396 CB LEU A 152 10.142 1.376 -4.244 1.00 0.66 C ATOM 2397 CG LEU A 152 9.655 1.957 -5.585 1.00 0.78 C ATOM 2398 CD1 LEU A 152 10.416 1.299 -6.744 1.00 1.00 C ATOM 2399 CD2 LEU A 152 8.149 1.742 -5.772 1.00 0.93 C ATOM 0 H LEU A 152 10.884 3.688 -3.010 1.00 0.60 H new ATOM 0 HA LEU A 152 8.501 1.940 -2.945 1.00 0.58 H new ATOM 0 HB2 LEU A 152 11.230 1.436 -4.217 1.00 0.66 H new ATOM 0 HB3 LEU A 152 9.880 0.319 -4.210 1.00 0.66 H new ATOM 0 HG LEU A 152 9.848 3.030 -5.577 1.00 0.78 H new ATOM 0 HD11 LEU A 152 10.068 1.714 -7.690 1.00 1.00 H new ATOM 0 HD12 LEU A 152 11.483 1.492 -6.634 1.00 1.00 H new ATOM 0 HD13 LEU A 152 10.238 0.224 -6.732 1.00 1.00 H new ATOM 0 HD21 LEU A 152 7.837 2.163 -6.728 1.00 0.93 H new ATOM 0 HD22 LEU A 152 7.929 0.674 -5.757 1.00 0.93 H new ATOM 0 HD23 LEU A 152 7.608 2.235 -4.964 1.00 0.93 H new ATOM 2411 N TYR A 153 9.480 0.381 -1.219 1.00 0.60 N ATOM 2412 CA TYR A 153 9.841 -0.429 -0.052 1.00 0.59 C ATOM 2413 C TYR A 153 9.333 -1.885 -0.197 1.00 1.11 C ATOM 2414 O TYR A 153 8.131 -2.140 -0.208 1.00 1.56 O ATOM 2415 CB TYR A 153 9.244 0.231 1.213 1.00 0.64 C ATOM 2416 CG TYR A 153 10.208 1.059 2.043 1.00 1.12 C ATOM 2417 CD1 TYR A 153 11.154 0.411 2.861 1.00 2.73 C ATOM 2418 CD2 TYR A 153 10.137 2.465 2.051 1.00 1.72 C ATOM 2419 CE1 TYR A 153 12.053 1.153 3.653 1.00 3.17 C ATOM 2420 CE2 TYR A 153 11.027 3.212 2.848 1.00 1.80 C ATOM 2421 CZ TYR A 153 12.008 2.565 3.631 1.00 2.06 C ATOM 2422 OH TYR A 153 12.925 3.305 4.317 1.00 2.65 O ATOM 0 H TYR A 153 8.593 0.089 -1.630 1.00 0.60 H new ATOM 0 HA TYR A 153 10.927 -0.473 0.029 1.00 0.59 H new ATOM 0 HB2 TYR A 153 8.414 0.869 0.910 1.00 0.64 H new ATOM 0 HB3 TYR A 153 8.828 -0.552 1.847 1.00 0.64 H new ATOM 0 HD1 TYR A 153 11.191 -0.668 2.882 1.00 2.73 H new ATOM 0 HD2 TYR A 153 9.400 2.971 1.446 1.00 1.72 H new ATOM 0 HE1 TYR A 153 12.774 0.644 4.275 1.00 3.17 H new ATOM 0 HE2 TYR A 153 10.958 4.290 2.860 1.00 1.80 H new ATOM 0 HH TYR A 153 13.016 4.185 3.896 1.00 2.65 H new ATOM 2432 N SER A 154 10.229 -2.871 -0.246 1.00 0.95 N ATOM 2433 CA SER A 154 9.891 -4.281 0.013 1.00 0.85 C ATOM 2434 C SER A 154 9.758 -4.521 1.536 1.00 1.01 C ATOM 2435 O SER A 154 10.308 -3.722 2.304 1.00 1.26 O ATOM 2436 CB SER A 154 10.966 -5.175 -0.622 1.00 1.20 C ATOM 2437 OG SER A 154 12.242 -4.913 -0.076 1.00 1.55 O ATOM 0 H SER A 154 11.213 -2.720 -0.466 1.00 0.95 H new ATOM 0 HA SER A 154 8.930 -4.532 -0.437 1.00 0.85 H new ATOM 0 HB2 SER A 154 10.709 -6.223 -0.465 1.00 1.20 H new ATOM 0 HB3 SER A 154 10.989 -5.010 -1.699 1.00 1.20 H new ATOM 0 HG SER A 154 12.636 -5.749 0.251 1.00 1.55 H new ATOM 2443 N PRO A 155 9.049 -5.566 2.007 1.00 0.76 N ATOM 2444 CA PRO A 155 8.719 -5.712 3.423 1.00 0.93 C ATOM 2445 C PRO A 155 9.971 -5.934 4.276 1.00 1.20 C ATOM 2446 O PRO A 155 10.116 -5.318 5.326 1.00 1.26 O ATOM 2447 CB PRO A 155 7.723 -6.873 3.509 1.00 1.07 C ATOM 2448 CG PRO A 155 8.008 -7.695 2.256 1.00 0.95 C ATOM 2449 CD PRO A 155 8.442 -6.643 1.238 1.00 0.77 C ATOM 0 HA PRO A 155 8.273 -4.803 3.826 1.00 0.93 H new ATOM 0 HB2 PRO A 155 7.872 -7.461 4.415 1.00 1.07 H new ATOM 0 HB3 PRO A 155 6.693 -6.516 3.527 1.00 1.07 H new ATOM 0 HG2 PRO A 155 8.790 -8.434 2.429 1.00 0.95 H new ATOM 0 HG3 PRO A 155 7.124 -8.238 1.921 1.00 0.95 H new ATOM 0 HD2 PRO A 155 9.152 -7.061 0.524 1.00 0.77 H new ATOM 0 HD3 PRO A 155 7.589 -6.280 0.664 1.00 0.77 H new ATOM 2457 N ASP A 156 10.945 -6.697 3.774 1.00 0.95 N ATOM 2458 CA ASP A 156 12.227 -6.940 4.435 1.00 1.16 C ATOM 2459 C ASP A 156 13.083 -5.672 4.640 1.00 1.38 C ATOM 2460 O ASP A 156 14.078 -5.676 5.363 1.00 1.80 O ATOM 2461 CB ASP A 156 12.985 -7.978 3.593 1.00 1.34 C ATOM 2462 CG ASP A 156 13.479 -7.382 2.266 1.00 1.45 C ATOM 2463 OD1 ASP A 156 12.635 -6.938 1.452 1.00 2.08 O ATOM 2464 OD2 ASP A 156 14.719 -7.271 2.118 1.00 2.17 O ATOM 0 H ASP A 156 10.861 -7.173 2.876 1.00 0.95 H new ATOM 0 HA ASP A 156 12.028 -7.303 5.443 1.00 1.16 H new ATOM 0 HB2 ASP A 156 13.835 -8.356 4.161 1.00 1.34 H new ATOM 0 HB3 ASP A 156 12.333 -8.828 3.390 1.00 1.34 H new ATOM 2469 N LYS A 157 12.727 -4.574 3.975 1.00 1.24 N ATOM 2470 CA LYS A 157 13.151 -3.220 4.294 1.00 1.32 C ATOM 2471 C LYS A 157 12.097 -2.514 5.170 1.00 1.48 C ATOM 2472 O LYS A 157 12.456 -1.985 6.222 1.00 1.59 O ATOM 2473 CB LYS A 157 13.435 -2.448 2.986 1.00 1.35 C ATOM 2474 CG LYS A 157 14.470 -3.109 2.064 1.00 1.72 C ATOM 2475 CD LYS A 157 15.904 -3.150 2.627 1.00 2.14 C ATOM 2476 CE LYS A 157 16.511 -4.540 2.407 1.00 2.80 C ATOM 2477 NZ LYS A 157 16.130 -5.490 3.477 1.00 3.33 N ATOM 0 H LYS A 157 12.108 -4.610 3.165 1.00 1.24 H new ATOM 0 HA LYS A 157 14.073 -3.251 4.874 1.00 1.32 H new ATOM 0 HB2 LYS A 157 12.500 -2.333 2.437 1.00 1.35 H new ATOM 0 HB3 LYS A 157 13.781 -1.446 3.239 1.00 1.35 H new ATOM 0 HG2 LYS A 157 14.149 -4.129 1.852 1.00 1.72 H new ATOM 0 HG3 LYS A 157 14.483 -2.575 1.114 1.00 1.72 H new ATOM 0 HD2 LYS A 157 16.518 -2.394 2.138 1.00 2.14 H new ATOM 0 HD3 LYS A 157 15.893 -2.912 3.691 1.00 2.14 H new ATOM 0 HE2 LYS A 157 16.183 -4.930 1.443 1.00 2.80 H new ATOM 0 HE3 LYS A 157 17.597 -4.458 2.365 1.00 2.80 H new ATOM 0 HZ1 LYS A 157 16.982 -5.797 3.988 1.00 3.33 H new ATOM 0 HZ2 LYS A 157 15.478 -5.023 4.140 1.00 3.33 H new ATOM 0 HZ3 LYS A 157 15.662 -6.318 3.056 1.00 3.33 H new ATOM 2491 N ALA A 158 10.825 -2.497 4.764 1.00 1.19 N ATOM 2492 CA ALA A 158 9.739 -1.695 5.345 1.00 1.25 C ATOM 2493 C ALA A 158 9.477 -1.968 6.828 1.00 1.36 C ATOM 2494 O ALA A 158 9.131 -1.040 7.558 1.00 1.51 O ATOM 2495 CB ALA A 158 8.453 -1.958 4.554 1.00 1.19 C ATOM 0 H ALA A 158 10.506 -3.070 3.983 1.00 1.19 H new ATOM 0 HA ALA A 158 10.055 -0.654 5.278 1.00 1.25 H new ATOM 0 HB1 ALA A 158 7.639 -1.368 4.976 1.00 1.19 H new ATOM 0 HB2 ALA A 158 8.603 -1.676 3.512 1.00 1.19 H new ATOM 0 HB3 ALA A 158 8.201 -3.017 4.611 1.00 1.19 H new ATOM 2501 N GLU A 159 9.661 -3.209 7.289 1.00 1.02 N ATOM 2502 CA GLU A 159 9.362 -3.574 8.677 1.00 0.94 C ATOM 2503 C GLU A 159 10.305 -2.877 9.681 1.00 1.30 C ATOM 2504 O GLU A 159 9.967 -2.704 10.855 1.00 1.52 O ATOM 2505 CB GLU A 159 9.301 -5.107 8.826 1.00 0.81 C ATOM 2506 CG GLU A 159 8.133 -5.640 7.972 1.00 1.13 C ATOM 2507 CD GLU A 159 7.801 -7.121 8.132 1.00 1.55 C ATOM 2508 OE1 GLU A 159 8.675 -7.885 8.598 1.00 2.24 O ATOM 2509 OE2 GLU A 159 6.652 -7.464 7.767 1.00 2.42 O ATOM 0 H GLU A 159 10.016 -3.978 6.721 1.00 1.02 H new ATOM 0 HA GLU A 159 8.371 -3.198 8.932 1.00 0.94 H new ATOM 0 HB2 GLU A 159 10.241 -5.556 8.504 1.00 0.81 H new ATOM 0 HB3 GLU A 159 9.160 -5.380 9.872 1.00 0.81 H new ATOM 0 HG2 GLU A 159 7.241 -5.061 8.212 1.00 1.13 H new ATOM 0 HG3 GLU A 159 8.362 -5.452 6.923 1.00 1.13 H new ATOM 2516 N ALA A 160 11.443 -2.345 9.208 1.00 1.07 N ATOM 2517 CA ALA A 160 12.273 -1.407 9.959 1.00 1.14 C ATOM 2518 C ALA A 160 11.561 -0.044 10.082 1.00 1.29 C ATOM 2519 O ALA A 160 11.898 0.915 9.380 1.00 1.31 O ATOM 2520 CB ALA A 160 13.665 -1.321 9.311 1.00 1.18 C ATOM 0 H ALA A 160 11.812 -2.561 8.282 1.00 1.07 H new ATOM 0 HA ALA A 160 12.422 -1.761 10.979 1.00 1.14 H new ATOM 0 HB1 ALA A 160 14.285 -0.621 9.871 1.00 1.18 H new ATOM 0 HB2 ALA A 160 14.132 -2.306 9.320 1.00 1.18 H new ATOM 0 HB3 ALA A 160 13.567 -0.975 8.282 1.00 1.18 H new ATOM 2526 N THR A 161 10.601 0.015 11.014 1.00 1.24 N ATOM 2527 CA THR A 161 9.750 1.157 11.394 1.00 1.30 C ATOM 2528 C THR A 161 10.436 2.504 11.198 1.00 1.56 C ATOM 2529 O THR A 161 9.984 3.322 10.405 1.00 1.73 O ATOM 2530 CB THR A 161 9.309 0.974 12.854 1.00 1.50 C ATOM 2531 OG1 THR A 161 8.451 -0.140 12.947 1.00 1.54 O ATOM 2532 CG2 THR A 161 8.525 2.169 13.390 1.00 1.62 C ATOM 0 H THR A 161 10.378 -0.808 11.573 1.00 1.24 H new ATOM 0 HA THR A 161 8.883 1.169 10.733 1.00 1.30 H new ATOM 0 HB THR A 161 10.222 0.852 13.437 1.00 1.50 H new ATOM 0 HG1 THR A 161 8.170 -0.260 13.878 1.00 1.54 H new ATOM 0 HG21 THR A 161 8.240 1.982 14.425 1.00 1.62 H new ATOM 0 HG22 THR A 161 9.146 3.064 13.340 1.00 1.62 H new ATOM 0 HG23 THR A 161 7.628 2.316 12.788 1.00 1.62 H new ATOM 2540 N ASP A 162 11.550 2.745 11.881 1.00 1.62 N ATOM 2541 CA ASP A 162 12.186 4.063 11.930 1.00 1.77 C ATOM 2542 C ASP A 162 12.833 4.491 10.600 1.00 2.05 C ATOM 2543 O ASP A 162 12.973 5.684 10.346 1.00 2.16 O ATOM 2544 CB ASP A 162 13.134 4.090 13.134 1.00 1.95 C ATOM 2545 CG ASP A 162 12.334 3.811 14.416 1.00 1.88 C ATOM 2546 OD1 ASP A 162 11.720 4.766 14.948 1.00 2.70 O ATOM 2547 OD2 ASP A 162 12.204 2.620 14.768 1.00 2.53 O ATOM 0 H ASP A 162 12.041 2.031 12.419 1.00 1.62 H new ATOM 0 HA ASP A 162 11.422 4.827 12.071 1.00 1.77 H new ATOM 0 HB2 ASP A 162 13.918 3.343 13.011 1.00 1.95 H new ATOM 0 HB3 ASP A 162 13.626 5.060 13.202 1.00 1.95 H new ATOM 2552 N ARG A 163 13.118 3.543 9.694 1.00 1.69 N ATOM 2553 CA ARG A 163 13.450 3.840 8.292 1.00 1.71 C ATOM 2554 C ARG A 163 12.237 4.423 7.554 1.00 1.69 C ATOM 2555 O ARG A 163 12.356 5.455 6.900 1.00 1.93 O ATOM 2556 CB ARG A 163 13.964 2.582 7.557 1.00 1.70 C ATOM 2557 CG ARG A 163 15.059 1.806 8.305 1.00 1.76 C ATOM 2558 CD ARG A 163 16.346 2.613 8.481 1.00 2.30 C ATOM 2559 NE ARG A 163 17.332 1.876 9.284 1.00 2.04 N ATOM 2560 CZ ARG A 163 17.358 1.798 10.609 1.00 2.32 C ATOM 2561 NH1 ARG A 163 16.532 2.490 11.367 1.00 2.97 N ATOM 2562 NH2 ARG A 163 18.235 1.015 11.202 1.00 3.05 N ATOM 0 H ARG A 163 13.125 2.547 9.913 1.00 1.69 H new ATOM 0 HA ARG A 163 14.248 4.583 8.296 1.00 1.71 H new ATOM 0 HB2 ARG A 163 13.122 1.913 7.377 1.00 1.70 H new ATOM 0 HB3 ARG A 163 14.350 2.879 6.582 1.00 1.70 H new ATOM 0 HG2 ARG A 163 14.684 1.512 9.285 1.00 1.76 H new ATOM 0 HG3 ARG A 163 15.283 0.888 7.761 1.00 1.76 H new ATOM 0 HD2 ARG A 163 16.769 2.844 7.504 1.00 2.30 H new ATOM 0 HD3 ARG A 163 16.119 3.564 8.963 1.00 2.30 H new ATOM 0 HE ARG A 163 18.064 1.379 8.776 1.00 2.04 H new ATOM 0 HH11 ARG A 163 15.845 3.110 10.938 1.00 2.97 H new ATOM 0 HH12 ARG A 163 16.580 2.406 12.382 1.00 2.97 H new ATOM 0 HH21 ARG A 163 18.892 0.470 10.643 1.00 3.05 H new ATOM 0 HH22 ARG A 163 18.257 0.953 12.220 1.00 3.05 H new ATOM 2576 N VAL A 164 11.061 3.814 7.730 1.00 1.36 N ATOM 2577 CA VAL A 164 9.788 4.304 7.165 1.00 1.19 C ATOM 2578 C VAL A 164 9.348 5.621 7.830 1.00 1.26 C ATOM 2579 O VAL A 164 8.876 6.508 7.127 1.00 1.23 O ATOM 2580 CB VAL A 164 8.675 3.222 7.209 1.00 1.14 C ATOM 2581 CG1 VAL A 164 7.329 3.720 6.662 1.00 1.03 C ATOM 2582 CG2 VAL A 164 9.107 1.999 6.379 1.00 1.40 C ATOM 0 H VAL A 164 10.959 2.957 8.274 1.00 1.36 H new ATOM 0 HA VAL A 164 9.963 4.521 6.111 1.00 1.19 H new ATOM 0 HB VAL A 164 8.538 2.964 8.259 1.00 1.14 H new ATOM 0 HG11 VAL A 164 6.593 2.918 6.720 1.00 1.03 H new ATOM 0 HG12 VAL A 164 6.987 4.569 7.254 1.00 1.03 H new ATOM 0 HG13 VAL A 164 7.450 4.027 5.623 1.00 1.03 H new ATOM 0 HG21 VAL A 164 8.324 1.242 6.412 1.00 1.40 H new ATOM 0 HG22 VAL A 164 9.276 2.302 5.346 1.00 1.40 H new ATOM 0 HG23 VAL A 164 10.028 1.587 6.791 1.00 1.40 H new ATOM 2592 N VAL A 165 9.586 5.818 9.139 1.00 1.19 N ATOM 2593 CA VAL A 165 9.401 7.141 9.790 1.00 1.21 C ATOM 2594 C VAL A 165 10.228 8.235 9.094 1.00 1.47 C ATOM 2595 O VAL A 165 9.705 9.308 8.792 1.00 1.54 O ATOM 2596 CB VAL A 165 9.793 7.128 11.286 1.00 1.42 C ATOM 2597 CG1 VAL A 165 9.689 8.514 11.956 1.00 1.50 C ATOM 2598 CG2 VAL A 165 8.933 6.168 12.114 1.00 1.58 C ATOM 0 H VAL A 165 9.906 5.084 9.771 1.00 1.19 H new ATOM 0 HA VAL A 165 8.337 7.359 9.701 1.00 1.21 H new ATOM 0 HB VAL A 165 10.832 6.798 11.277 1.00 1.42 H new ATOM 0 HG11 VAL A 165 9.978 8.434 13.004 1.00 1.50 H new ATOM 0 HG12 VAL A 165 10.353 9.214 11.449 1.00 1.50 H new ATOM 0 HG13 VAL A 165 8.662 8.874 11.889 1.00 1.50 H new ATOM 0 HG21 VAL A 165 9.252 6.200 13.156 1.00 1.58 H new ATOM 0 HG22 VAL A 165 7.887 6.466 12.046 1.00 1.58 H new ATOM 0 HG23 VAL A 165 9.047 5.154 11.730 1.00 1.58 H new ATOM 2608 N ALA A 166 11.523 7.985 8.878 1.00 1.39 N ATOM 2609 CA ALA A 166 12.477 8.956 8.337 1.00 1.48 C ATOM 2610 C ALA A 166 12.236 9.319 6.860 1.00 1.63 C ATOM 2611 O ALA A 166 12.316 10.495 6.501 1.00 1.67 O ATOM 2612 CB ALA A 166 13.869 8.352 8.556 1.00 1.65 C ATOM 0 H ALA A 166 11.947 7.079 9.080 1.00 1.39 H new ATOM 0 HA ALA A 166 12.361 9.908 8.855 1.00 1.48 H new ATOM 0 HB1 ALA A 166 14.626 9.034 8.171 1.00 1.65 H new ATOM 0 HB2 ALA A 166 14.033 8.192 9.622 1.00 1.65 H new ATOM 0 HB3 ALA A 166 13.939 7.399 8.032 1.00 1.65 H new ATOM 2618 N ASP A 167 11.889 8.336 6.025 1.00 1.41 N ATOM 2619 CA ASP A 167 11.501 8.584 4.629 1.00 1.42 C ATOM 2620 C ASP A 167 10.185 9.364 4.522 1.00 1.57 C ATOM 2621 O ASP A 167 10.101 10.288 3.712 1.00 1.59 O ATOM 2622 CB ASP A 167 11.396 7.262 3.845 1.00 1.59 C ATOM 2623 CG ASP A 167 12.664 6.946 3.048 1.00 1.65 C ATOM 2624 OD1 ASP A 167 13.119 7.844 2.299 1.00 2.62 O ATOM 2625 OD2 ASP A 167 13.111 5.778 3.134 1.00 2.04 O ATOM 0 H ASP A 167 11.868 7.352 6.292 1.00 1.41 H new ATOM 0 HA ASP A 167 12.286 9.199 4.189 1.00 1.42 H new ATOM 0 HB2 ASP A 167 11.196 6.447 4.540 1.00 1.59 H new ATOM 0 HB3 ASP A 167 10.547 7.315 3.163 1.00 1.59 H new ATOM 2630 N LEU A 168 9.177 9.038 5.347 1.00 1.19 N ATOM 2631 CA LEU A 168 7.903 9.766 5.375 1.00 1.17 C ATOM 2632 C LEU A 168 8.068 11.200 5.886 1.00 1.50 C ATOM 2633 O LEU A 168 7.447 12.096 5.330 1.00 1.68 O ATOM 2634 CB LEU A 168 6.875 9.008 6.225 1.00 1.17 C ATOM 2635 CG LEU A 168 6.357 7.708 5.577 1.00 1.29 C ATOM 2636 CD1 LEU A 168 5.531 6.961 6.626 1.00 1.57 C ATOM 2637 CD2 LEU A 168 5.494 7.960 4.329 1.00 1.65 C ATOM 0 H LEU A 168 9.224 8.265 6.010 1.00 1.19 H new ATOM 0 HA LEU A 168 7.542 9.829 4.349 1.00 1.17 H new ATOM 0 HB2 LEU A 168 7.324 8.767 7.189 1.00 1.17 H new ATOM 0 HB3 LEU A 168 6.028 9.665 6.423 1.00 1.17 H new ATOM 0 HG LEU A 168 7.217 7.125 5.246 1.00 1.29 H new ATOM 0 HD11 LEU A 168 5.150 6.035 6.197 1.00 1.57 H new ATOM 0 HD12 LEU A 168 6.159 6.731 7.487 1.00 1.57 H new ATOM 0 HD13 LEU A 168 4.695 7.585 6.943 1.00 1.57 H new ATOM 0 HD21 LEU A 168 5.160 7.007 3.919 1.00 1.65 H new ATOM 0 HD22 LEU A 168 4.627 8.562 4.602 1.00 1.65 H new ATOM 0 HD23 LEU A 168 6.083 8.490 3.581 1.00 1.65 H new ATOM 2649 N GLN A 169 8.930 11.430 6.884 1.00 1.14 N ATOM 2650 CA GLN A 169 9.363 12.763 7.338 1.00 1.21 C ATOM 2651 C GLN A 169 9.913 13.600 6.171 1.00 1.64 C ATOM 2652 O GLN A 169 9.539 14.755 5.987 1.00 1.88 O ATOM 2653 CB GLN A 169 10.434 12.585 8.434 1.00 1.39 C ATOM 2654 CG GLN A 169 9.865 12.428 9.853 1.00 1.46 C ATOM 2655 CD GLN A 169 9.451 13.744 10.512 1.00 1.91 C ATOM 2656 OE1 GLN A 169 9.626 14.838 10.007 1.00 3.17 O ATOM 2657 NE2 GLN A 169 8.867 13.692 11.692 1.00 2.22 N ATOM 0 H GLN A 169 9.360 10.673 7.416 1.00 1.14 H new ATOM 0 HA GLN A 169 8.505 13.301 7.741 1.00 1.21 H new ATOM 0 HB2 GLN A 169 11.037 11.708 8.198 1.00 1.39 H new ATOM 0 HB3 GLN A 169 11.102 13.446 8.416 1.00 1.39 H new ATOM 0 HG2 GLN A 169 9.000 11.766 9.814 1.00 1.46 H new ATOM 0 HG3 GLN A 169 10.612 11.940 10.480 1.00 1.46 H new ATOM 0 HE21 GLN A 169 8.706 12.791 12.142 1.00 2.22 H new ATOM 0 HE22 GLN A 169 8.576 14.553 12.155 1.00 2.22 H new ATOM 2666 N ALA A 170 10.781 13.013 5.350 1.00 1.28 N ATOM 2667 CA ALA A 170 11.321 13.609 4.131 1.00 1.41 C ATOM 2668 C ALA A 170 10.323 13.738 2.954 1.00 1.56 C ATOM 2669 O ALA A 170 10.690 14.259 1.896 1.00 1.92 O ATOM 2670 CB ALA A 170 12.571 12.818 3.781 1.00 1.35 C ATOM 0 H ALA A 170 11.141 12.074 5.522 1.00 1.28 H new ATOM 0 HA ALA A 170 11.559 14.655 4.324 1.00 1.41 H new ATOM 0 HB1 ALA A 170 13.016 13.224 2.873 1.00 1.35 H new ATOM 0 HB2 ALA A 170 13.287 12.889 4.599 1.00 1.35 H new ATOM 0 HB3 ALA A 170 12.307 11.773 3.619 1.00 1.35 H new ATOM 2676 N LEU A 171 9.137 13.123 3.046 1.00 1.33 N ATOM 2677 CA LEU A 171 8.062 13.145 2.052 1.00 1.36 C ATOM 2678 C LEU A 171 6.753 13.740 2.595 1.00 1.60 C ATOM 2679 O LEU A 171 5.699 13.517 1.993 1.00 1.98 O ATOM 2680 CB LEU A 171 7.863 11.716 1.523 1.00 1.43 C ATOM 2681 CG LEU A 171 9.086 11.187 0.762 1.00 1.61 C ATOM 2682 CD1 LEU A 171 8.880 9.702 0.483 1.00 1.89 C ATOM 2683 CD2 LEU A 171 9.341 11.979 -0.527 1.00 1.93 C ATOM 0 H LEU A 171 8.890 12.566 3.864 1.00 1.33 H new ATOM 0 HA LEU A 171 8.355 13.806 1.237 1.00 1.36 H new ATOM 0 HB2 LEU A 171 7.646 11.051 2.359 1.00 1.43 H new ATOM 0 HB3 LEU A 171 6.994 11.695 0.865 1.00 1.43 H new ATOM 0 HG LEU A 171 9.977 11.318 1.376 1.00 1.61 H new ATOM 0 HD11 LEU A 171 9.741 9.310 -0.058 1.00 1.89 H new ATOM 0 HD12 LEU A 171 8.770 9.167 1.426 1.00 1.89 H new ATOM 0 HD13 LEU A 171 7.981 9.566 -0.119 1.00 1.89 H new ATOM 0 HD21 LEU A 171 10.215 11.573 -1.036 1.00 1.93 H new ATOM 0 HD22 LEU A 171 8.472 11.901 -1.180 1.00 1.93 H new ATOM 0 HD23 LEU A 171 9.518 13.026 -0.282 1.00 1.93 H new ATOM 2695 N LEU A 172 6.817 14.525 3.680 1.00 1.33 N ATOM 2696 CA LEU A 172 5.674 15.298 4.191 1.00 1.38 C ATOM 2697 C LEU A 172 5.122 16.296 3.163 1.00 1.91 C ATOM 2698 O LEU A 172 5.812 17.240 2.721 1.00 2.50 O ATOM 2699 CB LEU A 172 6.050 15.946 5.545 1.00 1.59 C ATOM 2700 CG LEU A 172 6.183 14.986 6.743 1.00 1.58 C ATOM 2701 CD1 LEU A 172 6.487 15.803 7.998 1.00 2.01 C ATOM 2702 CD2 LEU A 172 4.924 14.157 7.003 1.00 2.08 C ATOM 2703 OXT LEU A 172 3.924 16.207 2.831 1.00 2.82 O ATOM 0 H LEU A 172 7.667 14.643 4.231 1.00 1.33 H new ATOM 0 HA LEU A 172 4.844 14.615 4.369 1.00 1.38 H new ATOM 0 HB2 LEU A 172 6.996 16.474 5.422 1.00 1.59 H new ATOM 0 HB3 LEU A 172 5.296 16.695 5.788 1.00 1.59 H new ATOM 0 HG LEU A 172 6.986 14.290 6.501 1.00 1.58 H new ATOM 0 HD11 LEU A 172 6.583 15.134 8.853 1.00 2.01 H new ATOM 0 HD12 LEU A 172 7.419 16.351 7.859 1.00 2.01 H new ATOM 0 HD13 LEU A 172 5.676 16.508 8.179 1.00 2.01 H new ATOM 0 HD21 LEU A 172 5.089 13.504 7.860 1.00 2.08 H new ATOM 0 HD22 LEU A 172 4.086 14.823 7.210 1.00 2.08 H new ATOM 0 HD23 LEU A 172 4.698 13.553 6.124 1.00 2.08 H new