USER MOD reduce.3.24.130724 H: found=0, std=0, add=1080, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1082 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 93 TYR OH : rot -130:sc= -0.149 USER MOD Set 1.2: A 131 ASN :FLIP amide:sc= -0.218 F(o=-2!,f=-0.37) USER MOD Set 2.1: A 103 MET CE :methyl -120:sc= -2.88! (180deg=-3.46!) USER MOD Set 2.2: A 117 MET CE :methyl -104:sc= -0.243 (180deg=-2.3) USER MOD Set 3.1: A 77 TYR OH : rot -116:sc= 1.15 USER MOD Set 3.2: A 79 TYR OH : rot 74:sc= 1.12 USER MOD Set 3.3: A 106 HIS : no HE2:sc= 1.15 K(o=5.4,f=-10!) USER MOD Set 3.4: A 107 CYS SG : rot 73:sc= -0.192 USER MOD Set 3.5: A 110 ASN : amide:sc= 2.17 K(o=5.4,f=1.2) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0.792 USER MOD Single : A 18 LYS NZ :NH3+ -160:sc= -0.09 (180deg=-0.525) USER MOD Single : A 24 CYS SG : rot -103:sc= 2.24 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 49:sc= 0.701 USER MOD Single : A 29 SER OG : rot 93:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= 0.112 K(o=0.11,f=-3.6!) USER MOD Single : A 33 CYS SG : rot 28:sc= 0.0985 USER MOD Single : A 35 SER OG : rot 134:sc= 1.33 USER MOD Single : A 38 CYS SG : rot -2:sc= -0.0758 USER MOD Single : A 40 MET CE :methyl 164:sc= -0.119 (180deg=-0.444) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 179:sc= -1.65 (180deg=-1.65) USER MOD Single : A 51 LYS NZ :NH3+ -172:sc=-0.00476 (180deg=-0.0682) USER MOD Single : A 56 GLN : amide:sc= -0.199 X(o=-0.2,f=-0.16) USER MOD Single : A 60 ASN : amide:sc= -0.0302 K(o=-0.03,f=-0.95) USER MOD Single : A 61 GLN : amide:sc= 0.648 K(o=0.65,f=-0.3) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -147:sc= -1.9! (180deg=-4.92!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 48:sc= 0.107 USER MOD Single : A 72 LYS NZ :NH3+ 140:sc= 0.678 (180deg=-0.72) USER MOD Single : A 80 TYR OH : rot 166:sc= -0.0985 USER MOD Single : A 83 THR OG1 : rot -120:sc= -0.446 USER MOD Single : A 84 LYS NZ :NH3+ 165:sc= -0.317 (180deg=-0.652) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot -23:sc= 0.387 USER MOD Single : A 89 HIS :FLIP no HD1:sc= -2.7! C(o=-3.9!,f=-2.7!) USER MOD Single : A 90 LYS NZ :NH3+ -172:sc= -0.0124 (180deg=-0.118) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -3.12! C(o=-3.1!,f=-4.1!) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 98 LYS NZ :NH3+ -159:sc= 0.999 (180deg=0.679) USER MOD Single : A 99 SER OG : rot -37:sc= 0.628 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= -0.0875 USER MOD Single : A 128 GLN : amide:sc= -0.0671 X(o=-0.067,f=-0.52) USER MOD Single : A 133 SER OG : rot -75:sc= 0.902 USER MOD Single : A 135 MET CE :methyl 167:sc= -1.08 (180deg=-1.49) USER MOD Single : A 143 THR OG1 : rot -8:sc= 1.07 USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 TYR OH : rot 30:sc= 1.24 USER MOD Single : A 151 THR OG1 : rot 180:sc= 0.00142 USER MOD ----------------------------------------------------------------- ATOM 155 N ARG A 13 -7.442 1.961 -13.685 1.00 43.43 N ATOM 156 CA ARG A 13 -6.274 1.698 -12.854 1.00 54.31 C ATOM 157 C ARG A 13 -6.622 1.863 -11.420 1.00 2.44 C ATOM 158 O ARG A 13 -6.424 0.959 -10.623 1.00 62.12 O ATOM 159 CB ARG A 13 -5.115 2.642 -13.170 1.00 14.40 C ATOM 160 CG ARG A 13 -4.357 2.398 -14.463 1.00 50.35 C ATOM 161 CD ARG A 13 -3.661 1.037 -14.468 1.00 55.44 C ATOM 162 NE ARG A 13 -4.564 -0.086 -14.813 1.00 54.13 N ATOM 163 CZ ARG A 13 -4.215 -1.129 -15.583 1.00 52.24 C ATOM 164 NH1 ARG A 13 -3.031 -1.145 -16.192 1.00 43.32 N ATOM 165 NH2 ARG A 13 -5.070 -2.119 -15.777 1.00 21.24 N ATOM 0 HA ARG A 13 -5.962 0.675 -13.066 1.00 54.31 H new ATOM 0 HB2 ARG A 13 -5.504 3.660 -13.193 1.00 14.40 H new ATOM 0 HB3 ARG A 13 -4.403 2.592 -12.346 1.00 14.40 H new ATOM 0 HG2 ARG A 13 -5.047 2.456 -15.305 1.00 50.35 H new ATOM 0 HG3 ARG A 13 -3.616 3.185 -14.604 1.00 50.35 H new ATOM 0 HD2 ARG A 13 -2.836 1.062 -15.180 1.00 55.44 H new ATOM 0 HD3 ARG A 13 -3.227 0.856 -13.485 1.00 55.44 H new ATOM 0 HE ARG A 13 -5.513 -0.065 -14.441 1.00 54.13 H new ATOM 0 HH11 ARG A 13 -2.386 -0.363 -16.074 1.00 43.32 H new ATOM 0 HH12 ARG A 13 -2.769 -1.939 -16.776 1.00 43.32 H new ATOM 0 HH21 ARG A 13 -5.992 -2.089 -15.342 1.00 21.24 H new ATOM 0 HH22 ARG A 13 -4.807 -2.913 -16.362 1.00 21.24 H new ATOM 179 N ILE A 14 -7.151 3.007 -11.102 1.00 32.51 N ATOM 180 CA ILE A 14 -7.509 3.293 -9.769 1.00 4.41 C ATOM 181 C ILE A 14 -9.018 3.226 -9.616 1.00 44.31 C ATOM 182 O ILE A 14 -9.764 3.933 -10.300 1.00 74.44 O ATOM 183 CB ILE A 14 -7.019 4.693 -9.345 1.00 4.04 C ATOM 184 CG1 ILE A 14 -5.499 4.834 -9.551 1.00 25.23 C ATOM 185 CG2 ILE A 14 -7.392 4.953 -7.900 1.00 51.14 C ATOM 186 CD1 ILE A 14 -4.942 6.205 -9.194 1.00 22.13 C ATOM 0 H ILE A 14 -7.341 3.758 -11.766 1.00 32.51 H new ATOM 0 HA ILE A 14 -7.034 2.550 -9.128 1.00 4.41 H new ATOM 0 HB ILE A 14 -7.507 5.437 -9.975 1.00 4.04 H new ATOM 0 HG12 ILE A 14 -4.991 4.081 -8.949 1.00 25.23 H new ATOM 0 HG13 ILE A 14 -5.264 4.620 -10.594 1.00 25.23 H new ATOM 0 HG21 ILE A 14 -7.043 5.943 -7.607 1.00 51.14 H new ATOM 0 HG22 ILE A 14 -8.475 4.902 -7.789 1.00 51.14 H new ATOM 0 HG23 ILE A 14 -6.926 4.201 -7.263 1.00 51.14 H new ATOM 0 HD11 ILE A 14 -3.866 6.217 -9.368 1.00 22.13 H new ATOM 0 HD12 ILE A 14 -5.419 6.964 -9.814 1.00 22.13 H new ATOM 0 HD13 ILE A 14 -5.142 6.417 -8.144 1.00 22.13 H new ATOM 198 N THR A 15 -9.435 2.391 -8.744 1.00 52.11 N ATOM 199 CA THR A 15 -10.810 2.237 -8.393 1.00 12.44 C ATOM 200 C THR A 15 -10.999 2.912 -7.041 1.00 24.23 C ATOM 201 O THR A 15 -10.298 2.591 -6.084 1.00 35.13 O ATOM 202 CB THR A 15 -11.168 0.737 -8.271 1.00 72.53 C ATOM 203 OG1 THR A 15 -10.805 0.047 -9.487 1.00 22.51 O ATOM 204 CG2 THR A 15 -12.662 0.556 -8.028 1.00 32.24 C ATOM 0 H THR A 15 -8.812 1.768 -8.230 1.00 52.11 H new ATOM 0 HA THR A 15 -11.452 2.679 -9.155 1.00 12.44 H new ATOM 0 HB THR A 15 -10.617 0.323 -7.427 1.00 72.53 H new ATOM 0 HG1 THR A 15 -11.032 -0.903 -9.404 1.00 22.51 H new ATOM 0 HG21 THR A 15 -12.891 -0.506 -7.945 1.00 32.24 H new ATOM 0 HG22 THR A 15 -12.944 1.061 -7.104 1.00 32.24 H new ATOM 0 HG23 THR A 15 -13.221 0.984 -8.860 1.00 32.24 H new ATOM 212 N TYR A 16 -11.896 3.851 -6.964 1.00 41.32 N ATOM 213 CA TYR A 16 -12.091 4.589 -5.733 1.00 64.25 C ATOM 214 C TYR A 16 -13.198 3.986 -4.907 1.00 51.43 C ATOM 215 O TYR A 16 -14.346 3.893 -5.353 1.00 52.31 O ATOM 216 CB TYR A 16 -12.369 6.058 -6.020 1.00 14.02 C ATOM 217 CG TYR A 16 -11.254 6.737 -6.771 1.00 4.51 C ATOM 218 CD1 TYR A 16 -10.111 7.151 -6.115 1.00 40.12 C ATOM 219 CD2 TYR A 16 -11.348 6.967 -8.136 1.00 62.11 C ATOM 220 CE1 TYR A 16 -9.098 7.770 -6.794 1.00 61.42 C ATOM 221 CE2 TYR A 16 -10.335 7.588 -8.824 1.00 13.50 C ATOM 222 CZ TYR A 16 -9.212 7.987 -8.150 1.00 51.24 C ATOM 223 OH TYR A 16 -8.187 8.615 -8.833 1.00 31.34 O ATOM 0 H TYR A 16 -12.507 4.130 -7.732 1.00 41.32 H new ATOM 0 HA TYR A 16 -11.169 4.524 -5.155 1.00 64.25 H new ATOM 0 HB2 TYR A 16 -13.290 6.141 -6.597 1.00 14.02 H new ATOM 0 HB3 TYR A 16 -12.535 6.581 -5.078 1.00 14.02 H new ATOM 0 HD1 TYR A 16 -10.016 6.984 -5.052 1.00 40.12 H new ATOM 0 HD2 TYR A 16 -12.234 6.652 -8.667 1.00 62.11 H new ATOM 0 HE1 TYR A 16 -8.210 8.088 -6.268 1.00 61.42 H new ATOM 0 HE2 TYR A 16 -10.423 7.760 -9.887 1.00 13.50 H new ATOM 0 HH TYR A 16 -8.424 8.690 -9.781 1.00 31.34 H new ATOM 233 N VAL A 17 -12.864 3.585 -3.708 1.00 2.43 N ATOM 234 CA VAL A 17 -13.809 2.956 -2.819 1.00 41.51 C ATOM 235 C VAL A 17 -13.734 3.615 -1.452 1.00 0.12 C ATOM 236 O VAL A 17 -12.669 4.009 -1.008 1.00 52.33 O ATOM 237 CB VAL A 17 -13.495 1.430 -2.638 1.00 23.44 C ATOM 238 CG1 VAL A 17 -14.536 0.734 -1.768 1.00 52.20 C ATOM 239 CG2 VAL A 17 -13.364 0.724 -3.969 1.00 15.21 C ATOM 0 H VAL A 17 -11.927 3.685 -3.318 1.00 2.43 H new ATOM 0 HA VAL A 17 -14.801 3.069 -3.256 1.00 41.51 H new ATOM 0 HB VAL A 17 -12.535 1.370 -2.126 1.00 23.44 H new ATOM 0 HG11 VAL A 17 -14.280 -0.321 -1.668 1.00 52.20 H new ATOM 0 HG12 VAL A 17 -14.554 1.198 -0.782 1.00 52.20 H new ATOM 0 HG13 VAL A 17 -15.518 0.827 -2.231 1.00 52.20 H new ATOM 0 HG21 VAL A 17 -13.146 -0.331 -3.801 1.00 15.21 H new ATOM 0 HG22 VAL A 17 -14.297 0.818 -4.524 1.00 15.21 H new ATOM 0 HG23 VAL A 17 -12.554 1.175 -4.542 1.00 15.21 H new ATOM 249 N LYS A 18 -14.849 3.775 -0.820 1.00 44.41 N ATOM 250 CA LYS A 18 -14.868 4.216 0.541 1.00 43.03 C ATOM 251 C LYS A 18 -14.960 2.977 1.423 1.00 35.24 C ATOM 252 O LYS A 18 -15.758 2.066 1.143 1.00 50.04 O ATOM 253 CB LYS A 18 -16.030 5.195 0.785 1.00 21.41 C ATOM 254 CG LYS A 18 -17.391 4.662 0.384 1.00 64.24 C ATOM 255 CD LYS A 18 -18.487 5.685 0.579 1.00 23.21 C ATOM 256 CE LYS A 18 -19.818 5.154 0.063 1.00 4.45 C ATOM 257 NZ LYS A 18 -19.756 4.840 -1.388 1.00 31.42 N ATOM 0 H LYS A 18 -15.769 3.606 -1.226 1.00 44.41 H new ATOM 0 HA LYS A 18 -13.959 4.766 0.783 1.00 43.03 H new ATOM 0 HB2 LYS A 18 -16.053 5.457 1.843 1.00 21.41 H new ATOM 0 HB3 LYS A 18 -15.836 6.115 0.233 1.00 21.41 H new ATOM 0 HG2 LYS A 18 -17.365 4.355 -0.662 1.00 64.24 H new ATOM 0 HG3 LYS A 18 -17.618 3.773 0.972 1.00 64.24 H new ATOM 0 HD2 LYS A 18 -18.575 5.934 1.637 1.00 23.21 H new ATOM 0 HD3 LYS A 18 -18.229 6.605 0.055 1.00 23.21 H new ATOM 0 HE2 LYS A 18 -20.093 4.257 0.619 1.00 4.45 H new ATOM 0 HE3 LYS A 18 -20.599 5.892 0.243 1.00 4.45 H new ATOM 0 HZ1 LYS A 18 -20.719 4.811 -1.778 1.00 31.42 H new ATOM 0 HZ2 LYS A 18 -19.205 5.573 -1.879 1.00 31.42 H new ATOM 0 HZ3 LYS A 18 -19.300 3.915 -1.524 1.00 31.42 H new ATOM 271 N GLY A 19 -14.136 2.904 2.430 1.00 71.35 N ATOM 272 CA GLY A 19 -14.137 1.749 3.272 1.00 23.03 C ATOM 273 C GLY A 19 -12.962 1.729 4.202 1.00 5.42 C ATOM 274 O GLY A 19 -12.262 2.742 4.354 1.00 3.45 O ATOM 0 H GLY A 19 -13.461 3.626 2.684 1.00 71.35 H new ATOM 0 HA2 GLY A 19 -15.059 1.725 3.853 1.00 23.03 H new ATOM 0 HA3 GLY A 19 -14.126 0.851 2.655 1.00 23.03 H new ATOM 278 N ASP A 20 -12.733 0.595 4.804 1.00 13.32 N ATOM 279 CA ASP A 20 -11.672 0.420 5.773 1.00 72.11 C ATOM 280 C ASP A 20 -10.641 -0.555 5.228 1.00 33.40 C ATOM 281 O ASP A 20 -10.998 -1.556 4.609 1.00 1.54 O ATOM 282 CB ASP A 20 -12.268 -0.118 7.074 1.00 5.44 C ATOM 283 CG ASP A 20 -11.254 -0.296 8.166 1.00 34.40 C ATOM 284 OD1 ASP A 20 -11.031 0.651 8.950 1.00 52.24 O ATOM 285 OD2 ASP A 20 -10.693 -1.378 8.273 1.00 63.21 O ATOM 0 H ASP A 20 -13.282 -0.248 4.637 1.00 13.32 H new ATOM 0 HA ASP A 20 -11.185 1.376 5.967 1.00 72.11 H new ATOM 0 HB2 ASP A 20 -13.045 0.564 7.418 1.00 5.44 H new ATOM 0 HB3 ASP A 20 -12.749 -1.076 6.876 1.00 5.44 H new ATOM 290 N LEU A 21 -9.378 -0.287 5.473 1.00 23.24 N ATOM 291 CA LEU A 21 -8.309 -1.114 4.950 1.00 50.41 C ATOM 292 C LEU A 21 -7.943 -2.303 5.804 1.00 3.12 C ATOM 293 O LEU A 21 -7.008 -3.030 5.507 1.00 51.43 O ATOM 294 CB LEU A 21 -7.127 -0.297 4.551 1.00 4.20 C ATOM 295 CG LEU A 21 -7.310 0.428 3.234 1.00 25.00 C ATOM 296 CD1 LEU A 21 -6.135 1.273 2.957 1.00 43.04 C ATOM 297 CD2 LEU A 21 -7.487 -0.582 2.112 1.00 4.23 C ATOM 0 H LEU A 21 -9.062 0.503 6.035 1.00 23.24 H new ATOM 0 HA LEU A 21 -8.717 -1.567 4.046 1.00 50.41 H new ATOM 0 HB2 LEU A 21 -6.920 0.434 5.333 1.00 4.20 H new ATOM 0 HB3 LEU A 21 -6.254 -0.946 4.481 1.00 4.20 H new ATOM 0 HG LEU A 21 -8.197 1.058 3.297 1.00 25.00 H new ATOM 0 HD11 LEU A 21 -6.275 1.791 2.008 1.00 43.04 H new ATOM 0 HD12 LEU A 21 -6.017 2.005 3.756 1.00 43.04 H new ATOM 0 HD13 LEU A 21 -5.243 0.649 2.902 1.00 43.04 H new ATOM 0 HD21 LEU A 21 -7.618 -0.056 1.166 1.00 4.23 H new ATOM 0 HD22 LEU A 21 -6.605 -1.219 2.053 1.00 4.23 H new ATOM 0 HD23 LEU A 21 -8.365 -1.196 2.311 1.00 4.23 H new ATOM 309 N PHE A 22 -8.673 -2.501 6.846 1.00 35.23 N ATOM 310 CA PHE A 22 -8.553 -3.707 7.625 1.00 2.21 C ATOM 311 C PHE A 22 -9.739 -4.591 7.328 1.00 15.52 C ATOM 312 O PHE A 22 -9.761 -5.779 7.663 1.00 52.43 O ATOM 313 CB PHE A 22 -8.440 -3.425 9.127 1.00 13.21 C ATOM 314 CG PHE A 22 -7.179 -2.723 9.511 1.00 75.31 C ATOM 315 CD1 PHE A 22 -6.015 -3.442 9.690 1.00 4.11 C ATOM 316 CD2 PHE A 22 -7.145 -1.351 9.683 1.00 30.10 C ATOM 317 CE1 PHE A 22 -4.847 -2.813 10.036 1.00 24.33 C ATOM 318 CE2 PHE A 22 -5.982 -0.725 10.025 1.00 55.51 C ATOM 319 CZ PHE A 22 -4.830 -1.458 10.202 1.00 62.34 C ATOM 0 H PHE A 22 -9.370 -1.841 7.190 1.00 35.23 H new ATOM 0 HA PHE A 22 -7.629 -4.212 7.343 1.00 2.21 H new ATOM 0 HB2 PHE A 22 -9.292 -2.821 9.440 1.00 13.21 H new ATOM 0 HB3 PHE A 22 -8.501 -4.368 9.671 1.00 13.21 H new ATOM 0 HD1 PHE A 22 -6.024 -4.514 9.556 1.00 4.11 H new ATOM 0 HD2 PHE A 22 -8.046 -0.771 9.546 1.00 30.10 H new ATOM 0 HE1 PHE A 22 -3.943 -3.387 10.177 1.00 24.33 H new ATOM 0 HE2 PHE A 22 -5.965 0.347 10.157 1.00 55.51 H new ATOM 0 HZ PHE A 22 -3.911 -0.960 10.473 1.00 62.34 H new ATOM 329 N ALA A 23 -10.737 -4.003 6.694 1.00 4.04 N ATOM 330 CA ALA A 23 -11.930 -4.718 6.285 1.00 20.24 C ATOM 331 C ALA A 23 -11.840 -5.093 4.808 1.00 34.41 C ATOM 332 O ALA A 23 -12.809 -5.547 4.210 1.00 33.45 O ATOM 333 CB ALA A 23 -13.157 -3.857 6.536 1.00 74.45 C ATOM 0 H ALA A 23 -10.742 -3.013 6.448 1.00 4.04 H new ATOM 0 HA ALA A 23 -12.014 -5.634 6.870 1.00 20.24 H new ATOM 0 HB1 ALA A 23 -14.051 -4.399 6.227 1.00 74.45 H new ATOM 0 HB2 ALA A 23 -13.225 -3.621 7.598 1.00 74.45 H new ATOM 0 HB3 ALA A 23 -13.077 -2.933 5.963 1.00 74.45 H new ATOM 339 N CYS A 24 -10.667 -4.899 4.239 1.00 51.13 N ATOM 340 CA CYS A 24 -10.414 -5.201 2.841 1.00 70.54 C ATOM 341 C CYS A 24 -10.342 -6.726 2.630 1.00 4.12 C ATOM 342 O CYS A 24 -9.979 -7.470 3.565 1.00 14.42 O ATOM 343 CB CYS A 24 -9.083 -4.578 2.442 1.00 0.24 C ATOM 344 SG CYS A 24 -7.707 -5.206 3.422 1.00 32.14 S ATOM 0 H CYS A 24 -9.857 -4.526 4.734 1.00 51.13 H new ATOM 0 HA CYS A 24 -11.222 -4.798 2.231 1.00 70.54 H new ATOM 0 HB2 CYS A 24 -8.894 -4.777 1.387 1.00 0.24 H new ATOM 0 HB3 CYS A 24 -9.143 -3.496 2.557 1.00 0.24 H new ATOM 0 HG CYS A 24 -7.372 -4.323 4.316 1.00 32.14 H new ATOM 350 N PRO A 25 -10.680 -7.212 1.425 1.00 2.05 N ATOM 351 CA PRO A 25 -10.600 -8.641 1.092 1.00 65.33 C ATOM 352 C PRO A 25 -9.136 -9.143 0.973 1.00 22.53 C ATOM 353 O PRO A 25 -8.179 -8.357 1.025 1.00 12.21 O ATOM 354 CB PRO A 25 -11.304 -8.733 -0.277 1.00 53.22 C ATOM 355 CG PRO A 25 -12.000 -7.426 -0.451 1.00 61.50 C ATOM 356 CD PRO A 25 -11.184 -6.427 0.293 1.00 55.14 C ATOM 0 HA PRO A 25 -11.054 -9.260 1.866 1.00 65.33 H new ATOM 0 HB2 PRO A 25 -10.585 -8.905 -1.078 1.00 53.22 H new ATOM 0 HB3 PRO A 25 -12.012 -9.562 -0.300 1.00 53.22 H new ATOM 0 HG2 PRO A 25 -12.076 -7.161 -1.506 1.00 61.50 H new ATOM 0 HG3 PRO A 25 -13.016 -7.470 -0.060 1.00 61.50 H new ATOM 0 HD2 PRO A 25 -10.374 -6.028 -0.318 1.00 55.14 H new ATOM 0 HD3 PRO A 25 -11.783 -5.578 0.622 1.00 55.14 H new ATOM 364 N LYS A 26 -8.982 -10.451 0.797 1.00 14.23 N ATOM 365 CA LYS A 26 -7.667 -11.092 0.681 1.00 45.01 C ATOM 366 C LYS A 26 -7.002 -10.813 -0.657 1.00 45.33 C ATOM 367 O LYS A 26 -5.803 -11.053 -0.830 1.00 61.54 O ATOM 368 CB LYS A 26 -7.760 -12.592 0.882 1.00 24.15 C ATOM 369 CG LYS A 26 -8.208 -13.021 2.258 1.00 5.14 C ATOM 370 CD LYS A 26 -8.136 -14.520 2.365 1.00 73.43 C ATOM 371 CE LYS A 26 -8.541 -15.019 3.738 1.00 33.54 C ATOM 372 NZ LYS A 26 -8.450 -16.491 3.840 1.00 43.31 N ATOM 0 H LYS A 26 -9.764 -11.102 0.730 1.00 14.23 H new ATOM 0 HA LYS A 26 -7.054 -10.657 1.470 1.00 45.01 H new ATOM 0 HB2 LYS A 26 -8.453 -13.000 0.146 1.00 24.15 H new ATOM 0 HB3 LYS A 26 -6.784 -13.033 0.680 1.00 24.15 H new ATOM 0 HG2 LYS A 26 -7.576 -12.561 3.018 1.00 5.14 H new ATOM 0 HG3 LYS A 26 -9.227 -12.681 2.443 1.00 5.14 H new ATOM 0 HD2 LYS A 26 -8.785 -14.967 1.612 1.00 73.43 H new ATOM 0 HD3 LYS A 26 -7.120 -14.849 2.146 1.00 73.43 H new ATOM 0 HE2 LYS A 26 -7.901 -14.563 4.493 1.00 33.54 H new ATOM 0 HE3 LYS A 26 -9.562 -14.703 3.952 1.00 33.54 H new ATOM 0 HZ1 LYS A 26 -8.735 -16.791 4.794 1.00 43.31 H new ATOM 0 HZ2 LYS A 26 -9.080 -16.927 3.137 1.00 43.31 H new ATOM 0 HZ3 LYS A 26 -7.471 -16.792 3.661 1.00 43.31 H new ATOM 386 N THR A 27 -7.769 -10.318 -1.596 1.00 42.21 N ATOM 387 CA THR A 27 -7.281 -10.047 -2.934 1.00 23.22 C ATOM 388 C THR A 27 -6.440 -8.782 -2.984 1.00 30.14 C ATOM 389 O THR A 27 -5.642 -8.586 -3.888 1.00 44.24 O ATOM 390 CB THR A 27 -8.495 -9.847 -3.856 1.00 72.32 C ATOM 391 OG1 THR A 27 -9.470 -8.980 -3.195 1.00 72.53 O ATOM 392 CG2 THR A 27 -9.147 -11.168 -4.216 1.00 31.32 C ATOM 0 H THR A 27 -8.753 -10.089 -1.458 1.00 42.21 H new ATOM 0 HA THR A 27 -6.661 -10.886 -3.248 1.00 23.22 H new ATOM 0 HB THR A 27 -8.147 -9.384 -4.779 1.00 72.32 H new ATOM 0 HG1 THR A 27 -9.016 -8.187 -2.840 1.00 72.53 H new ATOM 0 HG21 THR A 27 -10.001 -10.986 -4.868 1.00 31.32 H new ATOM 0 HG22 THR A 27 -8.425 -11.802 -4.731 1.00 31.32 H new ATOM 0 HG23 THR A 27 -9.484 -11.667 -3.307 1.00 31.32 H new ATOM 400 N ASP A 28 -6.562 -8.004 -1.984 1.00 22.41 N ATOM 401 CA ASP A 28 -5.972 -6.692 -1.941 1.00 13.53 C ATOM 402 C ASP A 28 -4.572 -6.717 -1.385 1.00 0.15 C ATOM 403 O ASP A 28 -4.403 -6.885 -0.172 1.00 62.23 O ATOM 404 CB ASP A 28 -6.834 -5.785 -1.032 1.00 54.32 C ATOM 405 CG ASP A 28 -8.263 -5.583 -1.519 1.00 34.02 C ATOM 406 OD1 ASP A 28 -8.925 -6.575 -1.924 1.00 25.51 O ATOM 407 OD2 ASP A 28 -8.762 -4.428 -1.471 1.00 63.54 O ATOM 0 H ASP A 28 -7.084 -8.250 -1.143 1.00 22.41 H new ATOM 0 HA ASP A 28 -5.930 -6.315 -2.963 1.00 13.53 H new ATOM 0 HB2 ASP A 28 -6.862 -6.215 -0.031 1.00 54.32 H new ATOM 0 HB3 ASP A 28 -6.351 -4.812 -0.947 1.00 54.32 H new ATOM 412 N SER A 29 -3.553 -6.576 -2.234 1.00 71.20 N ATOM 413 CA SER A 29 -2.239 -6.357 -1.709 1.00 53.42 C ATOM 414 C SER A 29 -2.244 -4.909 -1.346 1.00 5.14 C ATOM 415 O SER A 29 -2.758 -4.099 -2.100 1.00 20.55 O ATOM 416 CB SER A 29 -1.160 -6.708 -2.723 1.00 64.43 C ATOM 417 OG SER A 29 -1.232 -8.082 -3.063 1.00 61.45 O ATOM 0 H SER A 29 -3.623 -6.610 -3.251 1.00 71.20 H new ATOM 0 HA SER A 29 -2.009 -6.992 -0.853 1.00 53.42 H new ATOM 0 HB2 SER A 29 -1.281 -6.098 -3.618 1.00 64.43 H new ATOM 0 HB3 SER A 29 -0.177 -6.479 -2.312 1.00 64.43 H new ATOM 0 HG SER A 29 -1.792 -8.193 -3.860 1.00 61.45 H new ATOM 423 N LEU A 30 -1.720 -4.556 -0.253 1.00 70.45 N ATOM 424 CA LEU A 30 -2.065 -3.276 0.242 1.00 54.51 C ATOM 425 C LEU A 30 -0.828 -2.439 0.423 1.00 21.44 C ATOM 426 O LEU A 30 0.181 -2.924 0.865 1.00 32.54 O ATOM 427 CB LEU A 30 -2.828 -3.536 1.540 1.00 31.15 C ATOM 428 CG LEU A 30 -3.795 -2.490 2.065 1.00 32.20 C ATOM 429 CD1 LEU A 30 -4.559 -3.095 3.199 1.00 13.45 C ATOM 430 CD2 LEU A 30 -3.084 -1.240 2.521 1.00 63.14 C ATOM 0 H LEU A 30 -1.070 -5.104 0.311 1.00 70.45 H new ATOM 0 HA LEU A 30 -2.691 -2.704 -0.443 1.00 54.51 H new ATOM 0 HB2 LEU A 30 -3.389 -4.461 1.409 1.00 31.15 H new ATOM 0 HB3 LEU A 30 -2.090 -3.719 2.321 1.00 31.15 H new ATOM 0 HG LEU A 30 -4.467 -2.192 1.260 1.00 32.20 H new ATOM 0 HD11 LEU A 30 -5.262 -2.363 3.595 1.00 13.45 H new ATOM 0 HD12 LEU A 30 -5.106 -3.969 2.844 1.00 13.45 H new ATOM 0 HD13 LEU A 30 -3.866 -3.395 3.985 1.00 13.45 H new ATOM 0 HD21 LEU A 30 -3.815 -0.519 2.889 1.00 63.14 H new ATOM 0 HD22 LEU A 30 -2.386 -1.489 3.320 1.00 63.14 H new ATOM 0 HD23 LEU A 30 -2.537 -0.807 1.684 1.00 63.14 H new ATOM 442 N ALA A 31 -0.927 -1.178 0.097 1.00 71.31 N ATOM 443 CA ALA A 31 0.208 -0.296 0.102 1.00 12.33 C ATOM 444 C ALA A 31 -0.102 1.007 0.832 1.00 41.13 C ATOM 445 O ALA A 31 -1.263 1.324 1.078 1.00 35.54 O ATOM 446 CB ALA A 31 0.623 -0.028 -1.329 1.00 35.24 C ATOM 0 H ALA A 31 -1.801 -0.732 -0.181 1.00 71.31 H new ATOM 0 HA ALA A 31 1.028 -0.773 0.639 1.00 12.33 H new ATOM 0 HB1 ALA A 31 1.484 0.640 -1.339 1.00 35.24 H new ATOM 0 HB2 ALA A 31 0.888 -0.968 -1.813 1.00 35.24 H new ATOM 0 HB3 ALA A 31 -0.204 0.437 -1.867 1.00 35.24 H new ATOM 452 N HIS A 32 0.940 1.735 1.223 1.00 70.14 N ATOM 453 CA HIS A 32 0.812 3.002 1.958 1.00 42.43 C ATOM 454 C HIS A 32 2.019 3.850 1.651 1.00 33.31 C ATOM 455 O HIS A 32 3.054 3.312 1.310 1.00 3.33 O ATOM 456 CB HIS A 32 0.892 2.757 3.467 1.00 71.22 C ATOM 457 CG HIS A 32 0.012 1.703 4.002 1.00 64.50 C ATOM 458 ND1 HIS A 32 0.468 0.442 4.308 1.00 23.04 N ATOM 459 CD2 HIS A 32 -1.285 1.719 4.316 1.00 65.42 C ATOM 460 CE1 HIS A 32 -0.509 -0.267 4.786 1.00 24.50 C ATOM 461 NE2 HIS A 32 -1.592 0.484 4.804 1.00 62.35 N ATOM 0 H HIS A 32 1.907 1.465 1.040 1.00 70.14 H new ATOM 0 HA HIS A 32 -0.134 3.464 1.674 1.00 42.43 H new ATOM 0 HB2 HIS A 32 1.922 2.504 3.719 1.00 71.22 H new ATOM 0 HB3 HIS A 32 0.659 3.691 3.979 1.00 71.22 H new ATOM 0 HD2 HIS A 32 -1.963 2.552 4.205 1.00 65.42 H new ATOM 0 HE1 HIS A 32 -0.445 -1.295 5.112 1.00 24.50 H new ATOM 0 HE2 HIS A 32 -2.512 0.188 5.131 1.00 62.35 H new ATOM 470 N CYS A 33 1.906 5.139 1.809 1.00 45.21 N ATOM 471 CA CYS A 33 3.047 6.018 1.672 1.00 53.43 C ATOM 472 C CYS A 33 3.549 6.359 3.077 1.00 31.21 C ATOM 473 O CYS A 33 2.740 6.673 3.971 1.00 61.04 O ATOM 474 CB CYS A 33 2.629 7.290 0.907 1.00 74.05 C ATOM 475 SG CYS A 33 1.220 8.186 1.625 1.00 12.35 S ATOM 0 H CYS A 33 1.031 5.613 2.034 1.00 45.21 H new ATOM 0 HA CYS A 33 3.846 5.537 1.108 1.00 53.43 H new ATOM 0 HB2 CYS A 33 3.484 7.965 0.859 1.00 74.05 H new ATOM 0 HB3 CYS A 33 2.382 7.015 -0.118 1.00 74.05 H new ATOM 0 HG CYS A 33 1.173 7.966 2.905 1.00 12.35 H new ATOM 481 N ILE A 34 4.857 6.270 3.295 1.00 64.34 N ATOM 482 CA ILE A 34 5.451 6.539 4.601 1.00 31.41 C ATOM 483 C ILE A 34 6.803 7.213 4.421 1.00 24.43 C ATOM 484 O ILE A 34 7.294 7.359 3.286 1.00 12.31 O ATOM 485 CB ILE A 34 5.641 5.268 5.511 1.00 51.25 C ATOM 486 CG1 ILE A 34 6.639 4.302 4.897 1.00 71.33 C ATOM 487 CG2 ILE A 34 4.315 4.574 5.789 1.00 50.20 C ATOM 488 CD1 ILE A 34 7.058 3.198 5.839 1.00 4.41 C ATOM 0 H ILE A 34 5.533 6.011 2.576 1.00 64.34 H new ATOM 0 HA ILE A 34 4.740 7.186 5.115 1.00 31.41 H new ATOM 0 HB ILE A 34 6.041 5.608 6.466 1.00 51.25 H new ATOM 0 HG12 ILE A 34 6.203 3.860 4.001 1.00 71.33 H new ATOM 0 HG13 ILE A 34 7.523 4.856 4.581 1.00 71.33 H new ATOM 0 HG21 ILE A 34 4.486 3.702 6.420 1.00 50.20 H new ATOM 0 HG22 ILE A 34 3.643 5.264 6.299 1.00 50.20 H new ATOM 0 HG23 ILE A 34 3.865 4.258 4.848 1.00 50.20 H new ATOM 0 HD11 ILE A 34 7.771 2.544 5.338 1.00 4.41 H new ATOM 0 HD12 ILE A 34 7.523 3.632 6.724 1.00 4.41 H new ATOM 0 HD13 ILE A 34 6.182 2.621 6.135 1.00 4.41 H new ATOM 500 N SER A 35 7.368 7.673 5.501 1.00 21.01 N ATOM 501 CA SER A 35 8.650 8.300 5.469 1.00 15.23 C ATOM 502 C SER A 35 9.798 7.300 5.692 1.00 23.01 C ATOM 503 O SER A 35 9.581 6.178 6.165 1.00 73.22 O ATOM 504 CB SER A 35 8.689 9.424 6.486 1.00 23.21 C ATOM 505 OG SER A 35 8.254 8.971 7.761 1.00 32.10 O ATOM 0 H SER A 35 6.948 7.622 6.429 1.00 21.01 H new ATOM 0 HA SER A 35 8.800 8.714 4.472 1.00 15.23 H new ATOM 0 HB2 SER A 35 9.703 9.816 6.562 1.00 23.21 H new ATOM 0 HB3 SER A 35 8.054 10.245 6.151 1.00 23.21 H new ATOM 0 HG SER A 35 8.873 9.291 8.450 1.00 32.10 H new ATOM 511 N GLU A 36 11.003 7.736 5.351 1.00 60.24 N ATOM 512 CA GLU A 36 12.229 6.975 5.484 1.00 22.34 C ATOM 513 C GLU A 36 12.527 6.757 6.958 1.00 32.35 C ATOM 514 O GLU A 36 12.987 5.706 7.357 1.00 44.14 O ATOM 515 CB GLU A 36 13.338 7.777 4.756 1.00 51.10 C ATOM 516 CG GLU A 36 14.735 7.178 4.675 1.00 32.51 C ATOM 517 CD GLU A 36 15.518 7.217 5.974 1.00 62.51 C ATOM 518 OE1 GLU A 36 15.870 8.329 6.429 1.00 62.22 O ATOM 519 OE2 GLU A 36 15.840 6.160 6.522 1.00 12.44 O ATOM 0 H GLU A 36 11.155 8.666 4.960 1.00 60.24 H new ATOM 0 HA GLU A 36 12.157 5.985 5.034 1.00 22.34 H new ATOM 0 HB2 GLU A 36 12.998 7.963 3.737 1.00 51.10 H new ATOM 0 HB3 GLU A 36 13.421 8.747 5.246 1.00 51.10 H new ATOM 0 HG2 GLU A 36 14.653 6.142 4.347 1.00 32.51 H new ATOM 0 HG3 GLU A 36 15.300 7.710 3.910 1.00 32.51 H new ATOM 526 N ASP A 37 12.224 7.759 7.760 1.00 23.45 N ATOM 527 CA ASP A 37 12.404 7.662 9.204 1.00 21.41 C ATOM 528 C ASP A 37 11.304 6.821 9.840 1.00 33.51 C ATOM 529 O ASP A 37 11.414 6.418 11.021 1.00 60.22 O ATOM 530 CB ASP A 37 12.478 9.059 9.877 1.00 13.21 C ATOM 531 CG ASP A 37 11.265 9.968 9.618 1.00 65.24 C ATOM 532 OD1 ASP A 37 10.121 9.469 9.508 1.00 15.14 O ATOM 533 OD2 ASP A 37 11.450 11.197 9.561 1.00 43.21 O ATOM 0 H ASP A 37 11.851 8.653 7.440 1.00 23.45 H new ATOM 0 HA ASP A 37 13.360 7.165 9.371 1.00 21.41 H new ATOM 0 HB2 ASP A 37 12.588 8.922 10.953 1.00 13.21 H new ATOM 0 HB3 ASP A 37 13.376 9.568 9.527 1.00 13.21 H new ATOM 538 N CYS A 38 10.240 6.574 9.059 1.00 63.50 N ATOM 539 CA CYS A 38 9.068 5.811 9.466 1.00 22.05 C ATOM 540 C CYS A 38 8.411 6.352 10.739 1.00 22.45 C ATOM 541 O CYS A 38 7.636 5.643 11.384 1.00 31.40 O ATOM 542 CB CYS A 38 9.401 4.323 9.593 1.00 22.11 C ATOM 543 SG CYS A 38 9.907 3.556 8.033 1.00 74.22 S ATOM 0 H CYS A 38 10.178 6.914 8.099 1.00 63.50 H new ATOM 0 HA CYS A 38 8.328 5.930 8.674 1.00 22.05 H new ATOM 0 HB2 CYS A 38 10.200 4.199 10.324 1.00 22.11 H new ATOM 0 HB3 CYS A 38 8.529 3.796 9.981 1.00 22.11 H new ATOM 0 HG CYS A 38 9.838 4.433 7.076 1.00 74.22 H new ATOM 549 N ARG A 39 8.683 7.621 11.070 1.00 74.43 N ATOM 550 CA ARG A 39 8.088 8.245 12.232 1.00 31.22 C ATOM 551 C ARG A 39 6.613 8.383 12.014 1.00 43.51 C ATOM 552 O ARG A 39 6.161 9.114 11.125 1.00 50.53 O ATOM 553 CB ARG A 39 8.705 9.597 12.513 1.00 52.14 C ATOM 554 CG ARG A 39 10.173 9.537 12.837 1.00 35.42 C ATOM 555 CD ARG A 39 10.702 10.916 13.060 1.00 74.23 C ATOM 556 NE ARG A 39 12.148 10.936 13.313 1.00 1.34 N ATOM 557 CZ ARG A 39 12.936 12.008 13.143 1.00 14.35 C ATOM 558 NH1 ARG A 39 12.414 13.166 12.732 1.00 53.43 N ATOM 559 NH2 ARG A 39 14.240 11.922 13.400 1.00 22.12 N ATOM 0 H ARG A 39 9.313 8.226 10.542 1.00 74.43 H new ATOM 0 HA ARG A 39 8.277 7.614 13.100 1.00 31.22 H new ATOM 0 HB2 ARG A 39 8.560 10.240 11.645 1.00 52.14 H new ATOM 0 HB3 ARG A 39 8.177 10.061 13.346 1.00 52.14 H new ATOM 0 HG2 ARG A 39 10.333 8.929 13.727 1.00 35.42 H new ATOM 0 HG3 ARG A 39 10.715 9.058 12.022 1.00 35.42 H new ATOM 0 HD2 ARG A 39 10.482 11.530 12.187 1.00 74.23 H new ATOM 0 HD3 ARG A 39 10.183 11.367 13.906 1.00 74.23 H new ATOM 0 HE ARG A 39 12.584 10.074 13.641 1.00 1.34 H new ATOM 0 HH11 ARG A 39 11.414 13.237 12.546 1.00 53.43 H new ATOM 0 HH12 ARG A 39 13.016 13.980 12.604 1.00 53.43 H new ATOM 0 HH21 ARG A 39 14.639 11.041 13.726 1.00 22.12 H new ATOM 0 HH22 ARG A 39 14.840 12.737 13.271 1.00 22.12 H new ATOM 573 N MET A 40 5.866 7.661 12.781 1.00 54.21 N ATOM 574 CA MET A 40 4.456 7.636 12.615 1.00 14.31 C ATOM 575 C MET A 40 3.744 7.819 13.944 1.00 51.33 C ATOM 576 O MET A 40 3.796 6.955 14.832 1.00 24.20 O ATOM 577 CB MET A 40 4.020 6.345 11.878 1.00 14.12 C ATOM 578 CG MET A 40 4.405 5.052 12.588 1.00 63.02 C ATOM 579 SD MET A 40 3.931 3.557 11.688 1.00 72.43 S ATOM 580 CE MET A 40 4.942 3.705 10.212 1.00 73.40 C ATOM 0 H MET A 40 6.217 7.074 13.538 1.00 54.21 H new ATOM 0 HA MET A 40 4.162 8.479 11.989 1.00 14.31 H new ATOM 0 HB2 MET A 40 2.938 6.364 11.747 1.00 14.12 H new ATOM 0 HB3 MET A 40 4.462 6.343 10.882 1.00 14.12 H new ATOM 0 HG2 MET A 40 5.483 5.043 12.747 1.00 63.02 H new ATOM 0 HG3 MET A 40 3.938 5.036 13.573 1.00 63.02 H new ATOM 0 HE1 MET A 40 4.981 2.744 9.700 1.00 73.40 H new ATOM 0 HE2 MET A 40 4.509 4.452 9.547 1.00 73.40 H new ATOM 0 HE3 MET A 40 5.951 4.009 10.491 1.00 73.40 H new ATOM 590 N GLY A 41 3.141 8.969 14.099 1.00 44.30 N ATOM 591 CA GLY A 41 2.356 9.258 15.271 1.00 4.12 C ATOM 592 C GLY A 41 0.893 9.282 14.916 1.00 23.32 C ATOM 593 O GLY A 41 0.022 9.180 15.779 1.00 33.45 O ATOM 0 H GLY A 41 3.180 9.729 13.420 1.00 44.30 H new ATOM 0 HA2 GLY A 41 2.541 8.505 16.037 1.00 4.12 H new ATOM 0 HA3 GLY A 41 2.653 10.219 15.690 1.00 4.12 H new ATOM 597 N ALA A 42 0.635 9.416 13.635 1.00 3.23 N ATOM 598 CA ALA A 42 -0.693 9.419 13.091 1.00 61.42 C ATOM 599 C ALA A 42 -0.635 8.813 11.707 1.00 44.13 C ATOM 600 O ALA A 42 0.462 8.611 11.164 1.00 11.30 O ATOM 601 CB ALA A 42 -1.235 10.836 13.024 1.00 43.03 C ATOM 0 H ALA A 42 1.364 9.528 12.930 1.00 3.23 H new ATOM 0 HA ALA A 42 -1.359 8.837 13.728 1.00 61.42 H new ATOM 0 HB1 ALA A 42 -2.243 10.821 12.609 1.00 43.03 H new ATOM 0 HB2 ALA A 42 -1.262 11.263 14.026 1.00 43.03 H new ATOM 0 HB3 ALA A 42 -0.590 11.443 12.388 1.00 43.03 H new ATOM 607 N GLY A 43 -1.774 8.516 11.142 1.00 71.42 N ATOM 608 CA GLY A 43 -1.799 7.929 9.834 1.00 15.01 C ATOM 609 C GLY A 43 -2.145 6.460 9.880 1.00 12.12 C ATOM 610 O GLY A 43 -1.972 5.796 10.909 1.00 42.33 O ATOM 0 H GLY A 43 -2.689 8.670 11.565 1.00 71.42 H new ATOM 0 HA2 GLY A 43 -2.527 8.454 9.215 1.00 15.01 H new ATOM 0 HA3 GLY A 43 -0.826 8.058 9.360 1.00 15.01 H new ATOM 614 N ILE A 44 -2.597 5.945 8.759 1.00 15.22 N ATOM 615 CA ILE A 44 -3.040 4.562 8.644 1.00 3.30 C ATOM 616 C ILE A 44 -1.881 3.557 8.846 1.00 63.14 C ATOM 617 O ILE A 44 -2.102 2.398 9.187 1.00 24.51 O ATOM 618 CB ILE A 44 -3.750 4.342 7.282 1.00 54.10 C ATOM 619 CG1 ILE A 44 -4.341 2.938 7.164 1.00 51.11 C ATOM 620 CG2 ILE A 44 -2.801 4.614 6.128 1.00 54.23 C ATOM 621 CD1 ILE A 44 -5.227 2.776 5.977 1.00 24.35 C ATOM 0 H ILE A 44 -2.671 6.474 7.890 1.00 15.22 H new ATOM 0 HA ILE A 44 -3.754 4.372 9.445 1.00 3.30 H new ATOM 0 HB ILE A 44 -4.576 5.052 7.234 1.00 54.10 H new ATOM 0 HG12 ILE A 44 -3.530 2.212 7.106 1.00 51.11 H new ATOM 0 HG13 ILE A 44 -4.908 2.712 8.067 1.00 51.11 H new ATOM 0 HG21 ILE A 44 -3.321 4.453 5.184 1.00 54.23 H new ATOM 0 HG22 ILE A 44 -2.452 5.645 6.179 1.00 54.23 H new ATOM 0 HG23 ILE A 44 -1.948 3.939 6.192 1.00 54.23 H new ATOM 0 HD11 ILE A 44 -5.615 1.758 5.949 1.00 24.35 H new ATOM 0 HD12 ILE A 44 -6.057 3.479 6.044 1.00 24.35 H new ATOM 0 HD13 ILE A 44 -4.658 2.972 5.068 1.00 24.35 H new ATOM 633 N ALA A 45 -0.648 4.017 8.668 1.00 65.34 N ATOM 634 CA ALA A 45 0.515 3.157 8.861 1.00 11.33 C ATOM 635 C ALA A 45 0.639 2.747 10.326 1.00 62.02 C ATOM 636 O ALA A 45 1.027 1.622 10.636 1.00 31.51 O ATOM 637 CB ALA A 45 1.779 3.841 8.391 1.00 20.11 C ATOM 0 H ALA A 45 -0.428 4.974 8.392 1.00 65.34 H new ATOM 0 HA ALA A 45 0.375 2.258 8.260 1.00 11.33 H new ATOM 0 HB1 ALA A 45 2.630 3.178 8.546 1.00 20.11 H new ATOM 0 HB2 ALA A 45 1.692 4.078 7.331 1.00 20.11 H new ATOM 0 HB3 ALA A 45 1.927 4.761 8.957 1.00 20.11 H new ATOM 643 N VAL A 46 0.247 3.658 11.221 1.00 63.41 N ATOM 644 CA VAL A 46 0.287 3.416 12.664 1.00 63.22 C ATOM 645 C VAL A 46 -0.656 2.277 13.011 1.00 44.13 C ATOM 646 O VAL A 46 -0.419 1.500 13.935 1.00 52.32 O ATOM 647 CB VAL A 46 -0.125 4.680 13.464 1.00 24.35 C ATOM 648 CG1 VAL A 46 -0.035 4.440 14.957 1.00 73.20 C ATOM 649 CG2 VAL A 46 0.725 5.860 13.076 1.00 24.11 C ATOM 0 H VAL A 46 -0.106 4.581 10.966 1.00 63.41 H new ATOM 0 HA VAL A 46 1.311 3.158 12.935 1.00 63.22 H new ATOM 0 HB VAL A 46 -1.163 4.901 13.216 1.00 24.35 H new ATOM 0 HG11 VAL A 46 -0.330 5.344 15.489 1.00 73.20 H new ATOM 0 HG12 VAL A 46 -0.700 3.622 15.235 1.00 73.20 H new ATOM 0 HG13 VAL A 46 0.990 4.181 15.223 1.00 73.20 H new ATOM 0 HG21 VAL A 46 0.418 6.734 13.650 1.00 24.11 H new ATOM 0 HG22 VAL A 46 1.772 5.639 13.285 1.00 24.11 H new ATOM 0 HG23 VAL A 46 0.602 6.063 12.012 1.00 24.11 H new ATOM 659 N LEU A 47 -1.726 2.193 12.278 1.00 24.31 N ATOM 660 CA LEU A 47 -2.690 1.139 12.442 1.00 0.53 C ATOM 661 C LEU A 47 -2.107 -0.190 11.999 1.00 34.05 C ATOM 662 O LEU A 47 -2.167 -1.184 12.734 1.00 23.21 O ATOM 663 CB LEU A 47 -3.955 1.466 11.660 1.00 14.20 C ATOM 664 CG LEU A 47 -4.784 2.628 12.184 1.00 43.35 C ATOM 665 CD1 LEU A 47 -5.883 2.970 11.196 1.00 51.02 C ATOM 666 CD2 LEU A 47 -5.404 2.227 13.503 1.00 73.51 C ATOM 0 H LEU A 47 -1.959 2.859 11.542 1.00 24.31 H new ATOM 0 HA LEU A 47 -2.947 1.056 13.498 1.00 0.53 H new ATOM 0 HB2 LEU A 47 -3.675 1.682 10.629 1.00 14.20 H new ATOM 0 HB3 LEU A 47 -4.585 0.577 11.639 1.00 14.20 H new ATOM 0 HG LEU A 47 -4.144 3.500 12.318 1.00 43.35 H new ATOM 0 HD11 LEU A 47 -6.471 3.803 11.580 1.00 51.02 H new ATOM 0 HD12 LEU A 47 -5.439 3.249 10.240 1.00 51.02 H new ATOM 0 HD13 LEU A 47 -6.529 2.104 11.056 1.00 51.02 H new ATOM 0 HD21 LEU A 47 -6.002 3.052 13.890 1.00 73.51 H new ATOM 0 HD22 LEU A 47 -6.042 1.355 13.355 1.00 73.51 H new ATOM 0 HD23 LEU A 47 -4.616 1.984 14.216 1.00 73.51 H new ATOM 678 N PHE A 48 -1.486 -0.187 10.838 1.00 33.52 N ATOM 679 CA PHE A 48 -0.933 -1.401 10.264 1.00 0.32 C ATOM 680 C PHE A 48 0.228 -1.962 11.026 1.00 54.04 C ATOM 681 O PHE A 48 0.417 -3.182 11.051 1.00 31.24 O ATOM 682 CB PHE A 48 -0.581 -1.219 8.801 1.00 53.12 C ATOM 683 CG PHE A 48 -1.757 -1.314 7.902 1.00 13.12 C ATOM 684 CD1 PHE A 48 -2.690 -0.306 7.828 1.00 54.32 C ATOM 685 CD2 PHE A 48 -1.929 -2.434 7.133 1.00 34.25 C ATOM 686 CE1 PHE A 48 -3.779 -0.423 6.998 1.00 65.04 C ATOM 687 CE2 PHE A 48 -3.001 -2.559 6.306 1.00 63.13 C ATOM 688 CZ PHE A 48 -3.936 -1.552 6.234 1.00 10.11 C ATOM 0 H PHE A 48 -1.350 0.648 10.268 1.00 33.52 H new ATOM 0 HA PHE A 48 -1.730 -2.141 10.342 1.00 0.32 H new ATOM 0 HB2 PHE A 48 -0.106 -0.247 8.666 1.00 53.12 H new ATOM 0 HB3 PHE A 48 0.151 -1.974 8.513 1.00 53.12 H new ATOM 0 HD1 PHE A 48 -2.566 0.584 8.427 1.00 54.32 H new ATOM 0 HD2 PHE A 48 -1.202 -3.231 7.184 1.00 34.25 H new ATOM 0 HE1 PHE A 48 -4.509 0.371 6.947 1.00 65.04 H new ATOM 0 HE2 PHE A 48 -3.119 -3.449 5.705 1.00 63.13 H new ATOM 0 HZ PHE A 48 -4.789 -1.650 5.579 1.00 10.11 H new ATOM 698 N LYS A 49 0.996 -1.103 11.662 1.00 33.25 N ATOM 699 CA LYS A 49 2.160 -1.551 12.379 1.00 22.12 C ATOM 700 C LYS A 49 1.847 -2.528 13.514 1.00 64.41 C ATOM 701 O LYS A 49 2.647 -3.396 13.803 1.00 14.21 O ATOM 702 CB LYS A 49 3.114 -0.398 12.757 1.00 30.33 C ATOM 703 CG LYS A 49 2.612 0.667 13.720 1.00 22.23 C ATOM 704 CD LYS A 49 2.607 0.183 15.147 1.00 24.25 C ATOM 705 CE LYS A 49 2.196 1.291 16.099 1.00 64.22 C ATOM 706 NZ LYS A 49 2.322 0.885 17.516 1.00 64.52 N ATOM 0 H LYS A 49 0.833 -0.097 11.695 1.00 33.25 H new ATOM 0 HA LYS A 49 2.731 -2.156 11.675 1.00 22.12 H new ATOM 0 HB2 LYS A 49 4.013 -0.838 13.188 1.00 30.33 H new ATOM 0 HB3 LYS A 49 3.413 0.101 11.836 1.00 30.33 H new ATOM 0 HG2 LYS A 49 3.242 1.553 13.640 1.00 22.23 H new ATOM 0 HG3 LYS A 49 1.603 0.966 13.435 1.00 22.23 H new ATOM 0 HD2 LYS A 49 1.922 -0.659 15.246 1.00 24.25 H new ATOM 0 HD3 LYS A 49 3.599 -0.181 15.414 1.00 24.25 H new ATOM 0 HE2 LYS A 49 2.814 2.171 15.918 1.00 64.22 H new ATOM 0 HE3 LYS A 49 1.165 1.579 15.895 1.00 64.22 H new ATOM 0 HZ1 LYS A 49 2.031 1.672 18.130 1.00 64.52 H new ATOM 0 HZ2 LYS A 49 1.713 0.062 17.697 1.00 64.52 H new ATOM 0 HZ3 LYS A 49 3.311 0.635 17.719 1.00 64.52 H new ATOM 720 N LYS A 50 0.680 -2.394 14.147 1.00 34.43 N ATOM 721 CA LYS A 50 0.287 -3.358 15.159 1.00 30.45 C ATOM 722 C LYS A 50 -0.001 -4.742 14.583 1.00 0.41 C ATOM 723 O LYS A 50 0.535 -5.743 15.049 1.00 61.32 O ATOM 724 CB LYS A 50 -0.927 -2.930 15.986 1.00 24.51 C ATOM 725 CG LYS A 50 -0.686 -1.819 16.985 1.00 65.20 C ATOM 726 CD LYS A 50 -0.840 -0.426 16.428 1.00 72.42 C ATOM 727 CE LYS A 50 -2.279 -0.153 16.027 1.00 41.41 C ATOM 728 NZ LYS A 50 -2.521 1.279 15.781 1.00 2.33 N ATOM 0 H LYS A 50 0.009 -1.644 13.978 1.00 34.43 H new ATOM 0 HA LYS A 50 1.158 -3.403 15.813 1.00 30.45 H new ATOM 0 HB2 LYS A 50 -1.715 -2.614 15.303 1.00 24.51 H new ATOM 0 HB3 LYS A 50 -1.302 -3.801 16.523 1.00 24.51 H new ATOM 0 HG2 LYS A 50 -1.379 -1.941 17.818 1.00 65.20 H new ATOM 0 HG3 LYS A 50 0.321 -1.925 17.389 1.00 65.20 H new ATOM 0 HD2 LYS A 50 -0.522 0.304 17.173 1.00 72.42 H new ATOM 0 HD3 LYS A 50 -0.189 -0.303 15.563 1.00 72.42 H new ATOM 0 HE2 LYS A 50 -2.519 -0.721 15.128 1.00 41.41 H new ATOM 0 HE3 LYS A 50 -2.947 -0.504 16.813 1.00 41.41 H new ATOM 0 HZ1 LYS A 50 -3.511 1.419 15.494 1.00 2.33 H new ATOM 0 HZ2 LYS A 50 -2.333 1.817 16.651 1.00 2.33 H new ATOM 0 HZ3 LYS A 50 -1.890 1.613 15.025 1.00 2.33 H new ATOM 742 N LYS A 51 -0.830 -4.787 13.563 1.00 60.21 N ATOM 743 CA LYS A 51 -1.309 -6.047 13.030 1.00 53.20 C ATOM 744 C LYS A 51 -0.372 -6.711 12.034 1.00 2.33 C ATOM 745 O LYS A 51 -0.215 -7.928 12.043 1.00 21.31 O ATOM 746 CB LYS A 51 -2.659 -5.858 12.387 1.00 42.33 C ATOM 747 CG LYS A 51 -3.753 -5.445 13.339 1.00 31.04 C ATOM 748 CD LYS A 51 -5.042 -5.299 12.587 1.00 32.30 C ATOM 749 CE LYS A 51 -6.179 -4.827 13.474 1.00 40.31 C ATOM 750 NZ LYS A 51 -6.499 -5.794 14.539 1.00 11.43 N ATOM 0 H LYS A 51 -1.189 -3.962 13.083 1.00 60.21 H new ATOM 0 HA LYS A 51 -1.370 -6.717 13.888 1.00 53.20 H new ATOM 0 HB2 LYS A 51 -2.572 -5.104 11.604 1.00 42.33 H new ATOM 0 HB3 LYS A 51 -2.950 -6.790 11.902 1.00 42.33 H new ATOM 0 HG2 LYS A 51 -3.862 -6.189 14.128 1.00 31.04 H new ATOM 0 HG3 LYS A 51 -3.493 -4.503 13.822 1.00 31.04 H new ATOM 0 HD2 LYS A 51 -4.904 -4.591 11.770 1.00 32.30 H new ATOM 0 HD3 LYS A 51 -5.308 -6.256 12.138 1.00 32.30 H new ATOM 0 HE2 LYS A 51 -5.912 -3.870 13.924 1.00 40.31 H new ATOM 0 HE3 LYS A 51 -7.066 -4.656 12.864 1.00 40.31 H new ATOM 0 HZ1 LYS A 51 -7.364 -5.494 15.032 1.00 11.43 H new ATOM 0 HZ2 LYS A 51 -6.647 -6.735 14.121 1.00 11.43 H new ATOM 0 HZ3 LYS A 51 -5.712 -5.837 15.217 1.00 11.43 H new ATOM 764 N PHE A 52 0.251 -5.931 11.198 1.00 25.33 N ATOM 765 CA PHE A 52 1.000 -6.478 10.085 1.00 44.22 C ATOM 766 C PHE A 52 2.490 -6.642 10.332 1.00 20.44 C ATOM 767 O PHE A 52 3.214 -7.096 9.441 1.00 70.31 O ATOM 768 CB PHE A 52 0.725 -5.684 8.809 1.00 1.23 C ATOM 769 CG PHE A 52 -0.684 -5.847 8.291 1.00 64.22 C ATOM 770 CD1 PHE A 52 -1.759 -5.243 8.917 1.00 30.31 C ATOM 771 CD2 PHE A 52 -0.923 -6.610 7.176 1.00 21.22 C ATOM 772 CE1 PHE A 52 -3.041 -5.405 8.430 1.00 70.00 C ATOM 773 CE2 PHE A 52 -2.196 -6.774 6.683 1.00 41.53 C ATOM 774 CZ PHE A 52 -3.259 -6.173 7.310 1.00 31.31 C ATOM 0 H PHE A 52 0.260 -4.913 11.259 1.00 25.33 H new ATOM 0 HA PHE A 52 0.634 -7.497 9.962 1.00 44.22 H new ATOM 0 HB2 PHE A 52 0.914 -4.628 9.000 1.00 1.23 H new ATOM 0 HB3 PHE A 52 1.427 -5.998 8.036 1.00 1.23 H new ATOM 0 HD1 PHE A 52 -1.594 -4.638 9.796 1.00 30.31 H new ATOM 0 HD2 PHE A 52 -0.095 -7.091 6.676 1.00 21.22 H new ATOM 0 HE1 PHE A 52 -3.872 -4.929 8.928 1.00 70.00 H new ATOM 0 HE2 PHE A 52 -2.360 -7.376 5.802 1.00 41.53 H new ATOM 0 HZ PHE A 52 -4.260 -6.302 6.926 1.00 31.31 H new ATOM 784 N GLY A 53 2.953 -6.311 11.508 1.00 72.30 N ATOM 785 CA GLY A 53 4.352 -6.510 11.794 1.00 63.13 C ATOM 786 C GLY A 53 4.879 -5.555 12.815 1.00 71.44 C ATOM 787 O GLY A 53 4.522 -5.635 13.987 1.00 3.00 O ATOM 0 H GLY A 53 2.400 -5.912 12.267 1.00 72.30 H new ATOM 0 HA2 GLY A 53 4.504 -7.530 12.146 1.00 63.13 H new ATOM 0 HA3 GLY A 53 4.925 -6.402 10.873 1.00 63.13 H new ATOM 791 N GLY A 54 5.710 -4.647 12.377 1.00 14.13 N ATOM 792 CA GLY A 54 6.295 -3.721 13.207 1.00 74.43 C ATOM 793 C GLY A 54 7.129 -2.812 12.385 1.00 53.24 C ATOM 794 O GLY A 54 7.545 -3.169 11.275 1.00 63.25 O ATOM 0 H GLY A 54 5.983 -4.559 11.398 1.00 14.13 H new ATOM 0 HA2 GLY A 54 5.531 -3.155 13.741 1.00 74.43 H new ATOM 0 HA3 GLY A 54 6.907 -4.219 13.959 1.00 74.43 H new ATOM 798 N VAL A 55 7.355 -1.672 12.900 1.00 43.15 N ATOM 799 CA VAL A 55 8.119 -0.619 12.255 1.00 13.40 C ATOM 800 C VAL A 55 9.571 -1.054 11.974 1.00 51.45 C ATOM 801 O VAL A 55 10.158 -0.659 10.956 1.00 62.20 O ATOM 802 CB VAL A 55 8.104 0.680 13.107 1.00 14.14 C ATOM 803 CG1 VAL A 55 8.904 1.782 12.444 1.00 62.22 C ATOM 804 CG2 VAL A 55 6.675 1.144 13.344 1.00 23.44 C ATOM 0 H VAL A 55 7.009 -1.408 13.823 1.00 43.15 H new ATOM 0 HA VAL A 55 7.639 -0.417 11.297 1.00 13.40 H new ATOM 0 HB VAL A 55 8.568 0.453 14.067 1.00 14.14 H new ATOM 0 HG11 VAL A 55 8.874 2.677 13.065 1.00 62.22 H new ATOM 0 HG12 VAL A 55 9.938 1.459 12.323 1.00 62.22 H new ATOM 0 HG13 VAL A 55 8.477 2.004 11.466 1.00 62.22 H new ATOM 0 HG21 VAL A 55 6.683 2.055 13.942 1.00 23.44 H new ATOM 0 HG22 VAL A 55 6.194 1.343 12.387 1.00 23.44 H new ATOM 0 HG23 VAL A 55 6.123 0.367 13.873 1.00 23.44 H new ATOM 814 N GLN A 56 10.136 -1.891 12.848 1.00 50.30 N ATOM 815 CA GLN A 56 11.498 -2.345 12.684 1.00 4.41 C ATOM 816 C GLN A 56 11.702 -3.080 11.377 1.00 61.40 C ATOM 817 O GLN A 56 12.737 -2.941 10.751 1.00 44.21 O ATOM 818 CB GLN A 56 11.949 -3.206 13.851 1.00 5.54 C ATOM 819 CG GLN A 56 12.003 -2.492 15.191 1.00 33.24 C ATOM 820 CD GLN A 56 12.876 -1.249 15.166 1.00 60.14 C ATOM 821 OE1 GLN A 56 14.078 -1.312 15.419 1.00 74.24 O ATOM 822 NE2 GLN A 56 12.278 -0.114 14.910 1.00 2.23 N ATOM 0 H GLN A 56 9.663 -2.261 13.672 1.00 50.30 H new ATOM 0 HA GLN A 56 12.118 -1.449 12.662 1.00 4.41 H new ATOM 0 HB2 GLN A 56 11.274 -4.058 13.937 1.00 5.54 H new ATOM 0 HB3 GLN A 56 12.939 -3.604 13.628 1.00 5.54 H new ATOM 0 HG2 GLN A 56 10.992 -2.214 15.489 1.00 33.24 H new ATOM 0 HG3 GLN A 56 12.381 -3.179 15.948 1.00 33.24 H new ATOM 0 HE21 GLN A 56 11.279 -0.099 14.704 1.00 2.23 H new ATOM 0 HE22 GLN A 56 12.811 0.756 14.916 1.00 2.23 H new ATOM 831 N GLU A 57 10.702 -3.825 10.941 1.00 44.40 N ATOM 832 CA GLU A 57 10.807 -4.573 9.691 1.00 52.31 C ATOM 833 C GLU A 57 10.976 -3.638 8.504 1.00 22.10 C ATOM 834 O GLU A 57 11.644 -3.969 7.521 1.00 12.21 O ATOM 835 CB GLU A 57 9.610 -5.486 9.480 1.00 54.53 C ATOM 836 CG GLU A 57 9.487 -6.574 10.514 1.00 20.21 C ATOM 837 CD GLU A 57 8.359 -7.524 10.224 1.00 44.31 C ATOM 838 OE1 GLU A 57 8.563 -8.484 9.451 1.00 42.12 O ATOM 839 OE2 GLU A 57 7.262 -7.339 10.766 1.00 74.23 O ATOM 0 H GLU A 57 9.811 -3.931 11.427 1.00 44.40 H new ATOM 0 HA GLU A 57 11.696 -5.199 9.767 1.00 52.31 H new ATOM 0 HB2 GLU A 57 8.701 -4.885 9.488 1.00 54.53 H new ATOM 0 HB3 GLU A 57 9.682 -5.942 8.493 1.00 54.53 H new ATOM 0 HG2 GLU A 57 10.423 -7.131 10.562 1.00 20.21 H new ATOM 0 HG3 GLU A 57 9.334 -6.123 11.494 1.00 20.21 H new ATOM 846 N LEU A 58 10.376 -2.481 8.603 1.00 52.43 N ATOM 847 CA LEU A 58 10.475 -1.473 7.578 1.00 50.34 C ATOM 848 C LEU A 58 11.860 -0.821 7.619 1.00 33.34 C ATOM 849 O LEU A 58 12.586 -0.805 6.617 1.00 25.33 O ATOM 850 CB LEU A 58 9.375 -0.429 7.774 1.00 72.54 C ATOM 851 CG LEU A 58 7.937 -0.965 7.757 1.00 61.14 C ATOM 852 CD1 LEU A 58 6.947 0.152 8.021 1.00 42.41 C ATOM 853 CD2 LEU A 58 7.638 -1.636 6.427 1.00 2.10 C ATOM 0 H LEU A 58 9.802 -2.209 9.401 1.00 52.43 H new ATOM 0 HA LEU A 58 10.344 -1.935 6.600 1.00 50.34 H new ATOM 0 HB2 LEU A 58 9.544 0.075 8.725 1.00 72.54 H new ATOM 0 HB3 LEU A 58 9.471 0.324 6.992 1.00 72.54 H new ATOM 0 HG LEU A 58 7.837 -1.706 8.550 1.00 61.14 H new ATOM 0 HD11 LEU A 58 5.933 -0.249 8.005 1.00 42.41 H new ATOM 0 HD12 LEU A 58 7.147 0.593 8.998 1.00 42.41 H new ATOM 0 HD13 LEU A 58 7.047 0.917 7.251 1.00 42.41 H new ATOM 0 HD21 LEU A 58 6.615 -2.011 6.431 1.00 2.10 H new ATOM 0 HD22 LEU A 58 7.757 -0.913 5.620 1.00 2.10 H new ATOM 0 HD23 LEU A 58 8.328 -2.466 6.275 1.00 2.10 H new ATOM 865 N LEU A 59 12.233 -0.341 8.800 1.00 54.50 N ATOM 866 CA LEU A 59 13.504 0.350 9.002 1.00 44.10 C ATOM 867 C LEU A 59 14.720 -0.525 8.786 1.00 43.10 C ATOM 868 O LEU A 59 15.711 -0.060 8.249 1.00 44.23 O ATOM 869 CB LEU A 59 13.564 1.046 10.365 1.00 73.45 C ATOM 870 CG LEU A 59 12.646 2.255 10.536 1.00 55.12 C ATOM 871 CD1 LEU A 59 12.748 2.798 11.938 1.00 75.13 C ATOM 872 CD2 LEU A 59 13.021 3.340 9.540 1.00 63.35 C ATOM 0 H LEU A 59 11.665 -0.419 9.644 1.00 54.50 H new ATOM 0 HA LEU A 59 13.539 1.113 8.224 1.00 44.10 H new ATOM 0 HB2 LEU A 59 13.318 0.315 11.136 1.00 73.45 H new ATOM 0 HB3 LEU A 59 14.591 1.365 10.544 1.00 73.45 H new ATOM 0 HG LEU A 59 11.619 1.938 10.353 1.00 55.12 H new ATOM 0 HD11 LEU A 59 12.088 3.659 12.044 1.00 75.13 H new ATOM 0 HD12 LEU A 59 12.454 2.026 12.649 1.00 75.13 H new ATOM 0 HD13 LEU A 59 13.776 3.102 12.137 1.00 75.13 H new ATOM 0 HD21 LEU A 59 12.361 4.197 9.670 1.00 63.35 H new ATOM 0 HD22 LEU A 59 14.053 3.648 9.709 1.00 63.35 H new ATOM 0 HD23 LEU A 59 12.919 2.954 8.526 1.00 63.35 H new ATOM 884 N ASN A 60 14.652 -1.785 9.185 1.00 74.22 N ATOM 885 CA ASN A 60 15.783 -2.700 9.001 1.00 34.42 C ATOM 886 C ASN A 60 16.070 -2.987 7.533 1.00 72.01 C ATOM 887 O ASN A 60 17.180 -3.383 7.181 1.00 51.00 O ATOM 888 CB ASN A 60 15.612 -3.989 9.809 1.00 65.10 C ATOM 889 CG ASN A 60 15.699 -3.745 11.310 1.00 61.03 C ATOM 890 OD1 ASN A 60 16.429 -2.862 11.773 1.00 5.04 O ATOM 891 ND2 ASN A 60 14.945 -4.490 12.073 1.00 70.02 N ATOM 0 H ASN A 60 13.837 -2.201 9.635 1.00 74.22 H new ATOM 0 HA ASN A 60 16.661 -2.186 9.393 1.00 34.42 H new ATOM 0 HB2 ASN A 60 14.648 -4.439 9.571 1.00 65.10 H new ATOM 0 HB3 ASN A 60 16.379 -4.705 9.514 1.00 65.10 H new ATOM 0 HD21 ASN A 60 14.947 -4.351 13.084 1.00 70.02 H new ATOM 0 HD22 ASN A 60 14.354 -5.210 11.658 1.00 70.02 H new ATOM 898 N GLN A 61 15.079 -2.773 6.671 1.00 73.10 N ATOM 899 CA GLN A 61 15.275 -2.915 5.228 1.00 62.32 C ATOM 900 C GLN A 61 16.008 -1.701 4.670 1.00 0.12 C ATOM 901 O GLN A 61 16.539 -1.745 3.563 1.00 72.05 O ATOM 902 CB GLN A 61 13.939 -3.111 4.489 1.00 2.05 C ATOM 903 CG GLN A 61 13.263 -4.445 4.760 1.00 23.23 C ATOM 904 CD GLN A 61 11.917 -4.582 4.060 1.00 44.41 C ATOM 905 OE1 GLN A 61 11.834 -5.030 2.920 1.00 14.53 O ATOM 906 NE2 GLN A 61 10.862 -4.218 4.739 1.00 74.13 N ATOM 0 H GLN A 61 14.134 -2.501 6.944 1.00 73.10 H new ATOM 0 HA GLN A 61 15.881 -3.806 5.065 1.00 62.32 H new ATOM 0 HB2 GLN A 61 13.259 -2.308 4.774 1.00 2.05 H new ATOM 0 HB3 GLN A 61 14.113 -3.016 3.417 1.00 2.05 H new ATOM 0 HG2 GLN A 61 13.920 -5.252 4.434 1.00 23.23 H new ATOM 0 HG3 GLN A 61 13.122 -4.563 5.834 1.00 23.23 H new ATOM 0 HE21 GLN A 61 10.966 -3.850 5.684 1.00 74.13 H new ATOM 0 HE22 GLN A 61 9.934 -4.302 4.324 1.00 74.13 H new ATOM 915 N GLN A 62 16.016 -0.622 5.465 1.00 33.31 N ATOM 916 CA GLN A 62 16.634 0.654 5.133 1.00 31.24 C ATOM 917 C GLN A 62 16.318 1.125 3.760 1.00 44.24 C ATOM 918 O GLN A 62 17.152 1.120 2.862 1.00 33.32 O ATOM 919 CB GLN A 62 18.108 0.699 5.431 1.00 3.45 C ATOM 920 CG GLN A 62 18.393 0.555 6.885 1.00 55.12 C ATOM 921 CD GLN A 62 19.867 0.584 7.199 1.00 3.25 C ATOM 922 OE1 GLN A 62 20.531 -0.462 7.213 1.00 70.00 O ATOM 923 NE2 GLN A 62 20.393 1.752 7.446 1.00 12.23 N ATOM 0 H GLN A 62 15.576 -0.621 6.385 1.00 33.31 H new ATOM 0 HA GLN A 62 16.169 1.372 5.809 1.00 31.24 H new ATOM 0 HB2 GLN A 62 18.612 -0.097 4.883 1.00 3.45 H new ATOM 0 HB3 GLN A 62 18.520 1.642 5.073 1.00 3.45 H new ATOM 0 HG2 GLN A 62 17.895 1.357 7.429 1.00 55.12 H new ATOM 0 HG3 GLN A 62 17.969 -0.383 7.242 1.00 55.12 H new ATOM 0 HE21 GLN A 62 19.810 2.589 7.424 1.00 12.23 H new ATOM 0 HE22 GLN A 62 21.387 1.828 7.661 1.00 12.23 H new ATOM 932 N LYS A 63 15.100 1.460 3.584 1.00 31.52 N ATOM 933 CA LYS A 63 14.619 1.945 2.327 1.00 43.32 C ATOM 934 C LYS A 63 14.568 3.435 2.364 1.00 35.24 C ATOM 935 O LYS A 63 14.330 4.030 3.410 1.00 3.51 O ATOM 936 CB LYS A 63 13.261 1.380 2.044 1.00 5.44 C ATOM 937 CG LYS A 63 13.203 -0.138 1.900 1.00 61.12 C ATOM 938 CD LYS A 63 13.746 -0.708 0.558 1.00 54.13 C ATOM 939 CE LYS A 63 15.216 -1.212 0.571 1.00 41.21 C ATOM 940 NZ LYS A 63 16.249 -0.166 0.721 1.00 30.32 N ATOM 0 H LYS A 63 14.388 1.409 4.312 1.00 31.52 H new ATOM 0 HA LYS A 63 15.293 1.630 1.531 1.00 43.32 H new ATOM 0 HB2 LYS A 63 12.587 1.678 2.847 1.00 5.44 H new ATOM 0 HB3 LYS A 63 12.882 1.830 1.126 1.00 5.44 H new ATOM 0 HG2 LYS A 63 13.768 -0.584 2.718 1.00 61.12 H new ATOM 0 HG3 LYS A 63 12.167 -0.457 2.017 1.00 61.12 H new ATOM 0 HD2 LYS A 63 13.104 -1.534 0.252 1.00 54.13 H new ATOM 0 HD3 LYS A 63 13.656 0.066 -0.204 1.00 54.13 H new ATOM 0 HE2 LYS A 63 15.328 -1.928 1.385 1.00 41.21 H new ATOM 0 HE3 LYS A 63 15.404 -1.753 -0.357 1.00 41.21 H new ATOM 0 HZ1 LYS A 63 17.102 -0.442 0.193 1.00 30.32 H new ATOM 0 HZ2 LYS A 63 15.887 0.735 0.348 1.00 30.32 H new ATOM 0 HZ3 LYS A 63 16.486 -0.054 1.727 1.00 30.32 H new ATOM 954 N LYS A 64 14.826 4.023 1.261 1.00 62.13 N ATOM 955 CA LYS A 64 14.862 5.453 1.146 1.00 62.40 C ATOM 956 C LYS A 64 13.832 5.980 0.199 1.00 62.14 C ATOM 957 O LYS A 64 13.139 5.207 -0.456 1.00 31.31 O ATOM 958 CB LYS A 64 16.234 5.899 0.776 1.00 33.43 C ATOM 959 CG LYS A 64 17.210 5.573 1.876 1.00 31.21 C ATOM 960 CD LYS A 64 18.559 6.061 1.569 1.00 62.51 C ATOM 961 CE LYS A 64 19.513 5.745 2.711 1.00 74.53 C ATOM 962 NZ LYS A 64 20.903 6.135 2.405 1.00 72.55 N ATOM 0 H LYS A 64 15.023 3.530 0.390 1.00 62.13 H new ATOM 0 HA LYS A 64 14.610 5.872 2.120 1.00 62.40 H new ATOM 0 HB2 LYS A 64 16.544 5.412 -0.149 1.00 33.43 H new ATOM 0 HB3 LYS A 64 16.235 6.973 0.587 1.00 33.43 H new ATOM 0 HG2 LYS A 64 16.867 6.017 2.810 1.00 31.21 H new ATOM 0 HG3 LYS A 64 17.239 4.494 2.028 1.00 31.21 H new ATOM 0 HD2 LYS A 64 18.918 5.600 0.649 1.00 62.51 H new ATOM 0 HD3 LYS A 64 18.532 7.137 1.397 1.00 62.51 H new ATOM 0 HE2 LYS A 64 19.183 6.263 3.611 1.00 74.53 H new ATOM 0 HE3 LYS A 64 19.477 4.677 2.927 1.00 74.53 H new ATOM 0 HZ1 LYS A 64 21.515 5.900 3.212 1.00 72.55 H new ATOM 0 HZ2 LYS A 64 21.230 5.622 1.562 1.00 72.55 H new ATOM 0 HZ3 LYS A 64 20.945 7.158 2.225 1.00 72.55 H new ATOM 976 N SER A 65 13.706 7.293 0.154 1.00 33.10 N ATOM 977 CA SER A 65 12.738 7.969 -0.676 1.00 22.13 C ATOM 978 C SER A 65 12.871 7.578 -2.150 1.00 22.32 C ATOM 979 O SER A 65 13.813 7.991 -2.843 1.00 3.51 O ATOM 980 CB SER A 65 12.876 9.470 -0.466 1.00 34.04 C ATOM 981 OG SER A 65 14.237 9.871 -0.594 1.00 22.40 O ATOM 0 H SER A 65 14.285 7.927 0.704 1.00 33.10 H new ATOM 0 HA SER A 65 11.736 7.659 -0.381 1.00 22.13 H new ATOM 0 HB2 SER A 65 12.264 10.002 -1.194 1.00 34.04 H new ATOM 0 HB3 SER A 65 12.503 9.740 0.522 1.00 34.04 H new ATOM 0 HG SER A 65 14.620 9.473 -1.403 1.00 22.40 H new ATOM 987 N GLY A 66 11.939 6.771 -2.609 1.00 41.34 N ATOM 988 CA GLY A 66 11.986 6.267 -3.950 1.00 64.32 C ATOM 989 C GLY A 66 12.059 4.754 -3.974 1.00 20.53 C ATOM 990 O GLY A 66 12.112 4.148 -5.039 1.00 4.01 O ATOM 0 H GLY A 66 11.138 6.453 -2.064 1.00 41.34 H new ATOM 0 HA2 GLY A 66 11.102 6.598 -4.495 1.00 64.32 H new ATOM 0 HA3 GLY A 66 12.852 6.682 -4.465 1.00 64.32 H new ATOM 994 N GLU A 67 12.093 4.155 -2.805 1.00 74.53 N ATOM 995 CA GLU A 67 12.086 2.721 -2.655 1.00 43.14 C ATOM 996 C GLU A 67 10.837 2.307 -1.919 1.00 54.23 C ATOM 997 O GLU A 67 10.167 3.134 -1.298 1.00 13.21 O ATOM 998 CB GLU A 67 13.286 2.212 -1.877 1.00 54.31 C ATOM 999 CG GLU A 67 14.636 2.543 -2.455 1.00 70.43 C ATOM 1000 CD GLU A 67 15.719 1.863 -1.678 1.00 30.34 C ATOM 1001 OE1 GLU A 67 16.024 2.291 -0.553 1.00 3.24 O ATOM 1002 OE2 GLU A 67 16.248 0.846 -2.151 1.00 15.54 O ATOM 0 H GLU A 67 12.127 4.660 -1.919 1.00 74.53 H new ATOM 0 HA GLU A 67 12.123 2.292 -3.656 1.00 43.14 H new ATOM 0 HB2 GLU A 67 13.237 2.616 -0.866 1.00 54.31 H new ATOM 0 HB3 GLU A 67 13.205 1.128 -1.791 1.00 54.31 H new ATOM 0 HG2 GLU A 67 14.678 2.231 -3.499 1.00 70.43 H new ATOM 0 HG3 GLU A 67 14.791 3.622 -2.439 1.00 70.43 H new ATOM 1009 N VAL A 68 10.514 1.056 -1.997 1.00 32.52 N ATOM 1010 CA VAL A 68 9.348 0.544 -1.340 1.00 62.53 C ATOM 1011 C VAL A 68 9.754 -0.544 -0.348 1.00 22.24 C ATOM 1012 O VAL A 68 10.596 -1.394 -0.648 1.00 74.22 O ATOM 1013 CB VAL A 68 8.319 -0.028 -2.373 1.00 14.14 C ATOM 1014 CG1 VAL A 68 8.870 -1.227 -3.128 1.00 34.34 C ATOM 1015 CG2 VAL A 68 7.021 -0.388 -1.712 1.00 40.23 C ATOM 0 H VAL A 68 11.048 0.359 -2.516 1.00 32.52 H new ATOM 0 HA VAL A 68 8.867 1.364 -0.807 1.00 62.53 H new ATOM 0 HB VAL A 68 8.134 0.767 -3.096 1.00 14.14 H new ATOM 0 HG11 VAL A 68 8.121 -1.589 -3.832 1.00 34.34 H new ATOM 0 HG12 VAL A 68 9.768 -0.933 -3.672 1.00 34.34 H new ATOM 0 HG13 VAL A 68 9.117 -2.020 -2.422 1.00 34.34 H new ATOM 0 HG21 VAL A 68 6.330 -0.782 -2.457 1.00 40.23 H new ATOM 0 HG22 VAL A 68 7.199 -1.144 -0.948 1.00 40.23 H new ATOM 0 HG23 VAL A 68 6.589 0.500 -1.250 1.00 40.23 H new ATOM 1025 N ALA A 69 9.207 -0.479 0.833 1.00 11.32 N ATOM 1026 CA ALA A 69 9.436 -1.496 1.827 1.00 74.13 C ATOM 1027 C ALA A 69 8.292 -2.483 1.751 1.00 74.14 C ATOM 1028 O ALA A 69 7.134 -2.079 1.618 1.00 75.23 O ATOM 1029 CB ALA A 69 9.540 -0.883 3.219 1.00 50.23 C ATOM 0 H ALA A 69 8.592 0.276 1.136 1.00 11.32 H new ATOM 0 HA ALA A 69 10.381 -2.004 1.634 1.00 74.13 H new ATOM 0 HB1 ALA A 69 9.713 -1.671 3.952 1.00 50.23 H new ATOM 0 HB2 ALA A 69 10.369 -0.176 3.244 1.00 50.23 H new ATOM 0 HB3 ALA A 69 8.612 -0.363 3.458 1.00 50.23 H new ATOM 1035 N VAL A 70 8.593 -3.752 1.805 1.00 60.25 N ATOM 1036 CA VAL A 70 7.565 -4.761 1.648 1.00 70.12 C ATOM 1037 C VAL A 70 7.445 -5.610 2.908 1.00 73.43 C ATOM 1038 O VAL A 70 8.450 -5.927 3.552 1.00 33.32 O ATOM 1039 CB VAL A 70 7.873 -5.700 0.429 1.00 41.21 C ATOM 1040 CG1 VAL A 70 6.757 -6.712 0.204 1.00 31.32 C ATOM 1041 CG2 VAL A 70 8.139 -4.904 -0.849 1.00 3.14 C ATOM 0 H VAL A 70 9.534 -4.117 1.955 1.00 60.25 H new ATOM 0 HA VAL A 70 6.625 -4.239 1.468 1.00 70.12 H new ATOM 0 HB VAL A 70 8.782 -6.247 0.678 1.00 41.21 H new ATOM 0 HG11 VAL A 70 7.006 -7.344 -0.648 1.00 31.32 H new ATOM 0 HG12 VAL A 70 6.642 -7.331 1.094 1.00 31.32 H new ATOM 0 HG13 VAL A 70 5.823 -6.186 0.005 1.00 31.32 H new ATOM 0 HG21 VAL A 70 8.348 -5.591 -1.669 1.00 3.14 H new ATOM 0 HG22 VAL A 70 7.262 -4.304 -1.093 1.00 3.14 H new ATOM 0 HG23 VAL A 70 8.997 -4.249 -0.698 1.00 3.14 H new ATOM 1051 N LEU A 71 6.223 -5.937 3.266 1.00 52.11 N ATOM 1052 CA LEU A 71 5.936 -6.856 4.351 1.00 2.32 C ATOM 1053 C LEU A 71 5.173 -8.040 3.803 1.00 34.02 C ATOM 1054 O LEU A 71 4.139 -7.880 3.143 1.00 11.13 O ATOM 1055 CB LEU A 71 5.117 -6.201 5.487 1.00 1.31 C ATOM 1056 CG LEU A 71 5.785 -5.036 6.244 1.00 50.15 C ATOM 1057 CD1 LEU A 71 4.891 -4.550 7.376 1.00 40.53 C ATOM 1058 CD2 LEU A 71 7.144 -5.453 6.794 1.00 5.42 C ATOM 0 H LEU A 71 5.389 -5.569 2.808 1.00 52.11 H new ATOM 0 HA LEU A 71 6.889 -7.168 4.779 1.00 2.32 H new ATOM 0 HB2 LEU A 71 4.180 -5.838 5.064 1.00 1.31 H new ATOM 0 HB3 LEU A 71 4.862 -6.975 6.211 1.00 1.31 H new ATOM 0 HG LEU A 71 5.934 -4.219 5.538 1.00 50.15 H new ATOM 0 HD11 LEU A 71 5.380 -3.728 7.898 1.00 40.53 H new ATOM 0 HD12 LEU A 71 3.941 -4.206 6.967 1.00 40.53 H new ATOM 0 HD13 LEU A 71 4.711 -5.367 8.074 1.00 40.53 H new ATOM 0 HD21 LEU A 71 7.595 -4.614 7.324 1.00 5.42 H new ATOM 0 HD22 LEU A 71 7.017 -6.290 7.481 1.00 5.42 H new ATOM 0 HD23 LEU A 71 7.793 -5.754 5.971 1.00 5.42 H new ATOM 1070 N LYS A 72 5.685 -9.208 4.047 1.00 55.24 N ATOM 1071 CA LYS A 72 5.063 -10.423 3.613 1.00 43.11 C ATOM 1072 C LYS A 72 4.178 -10.936 4.701 1.00 51.22 C ATOM 1073 O LYS A 72 4.623 -11.265 5.804 1.00 34.30 O ATOM 1074 CB LYS A 72 6.121 -11.425 3.221 1.00 21.10 C ATOM 1075 CG LYS A 72 5.653 -12.818 2.825 1.00 65.03 C ATOM 1076 CD LYS A 72 6.841 -13.622 2.299 1.00 62.35 C ATOM 1077 CE LYS A 72 6.508 -15.082 2.038 1.00 53.51 C ATOM 1078 NZ LYS A 72 6.231 -15.822 3.291 1.00 53.42 N ATOM 0 H LYS A 72 6.556 -9.346 4.559 1.00 55.24 H new ATOM 0 HA LYS A 72 4.445 -10.242 2.734 1.00 43.11 H new ATOM 0 HB2 LYS A 72 6.686 -11.009 2.387 1.00 21.10 H new ATOM 0 HB3 LYS A 72 6.814 -11.527 4.056 1.00 21.10 H new ATOM 0 HG2 LYS A 72 5.210 -13.323 3.684 1.00 65.03 H new ATOM 0 HG3 LYS A 72 4.879 -12.750 2.061 1.00 65.03 H new ATOM 0 HD2 LYS A 72 7.199 -13.167 1.375 1.00 62.35 H new ATOM 0 HD3 LYS A 72 7.657 -13.565 3.019 1.00 62.35 H new ATOM 0 HE2 LYS A 72 5.640 -15.144 1.381 1.00 53.51 H new ATOM 0 HE3 LYS A 72 7.339 -15.555 1.514 1.00 53.51 H new ATOM 0 HZ1 LYS A 72 5.435 -16.474 3.140 1.00 53.42 H new ATOM 0 HZ2 LYS A 72 7.074 -16.364 3.568 1.00 53.42 H new ATOM 0 HZ3 LYS A 72 5.989 -15.149 4.046 1.00 53.42 H new ATOM 1092 N ARG A 73 2.937 -10.978 4.397 1.00 14.24 N ATOM 1093 CA ARG A 73 1.918 -11.371 5.358 1.00 33.20 C ATOM 1094 C ARG A 73 1.400 -12.754 4.951 1.00 31.21 C ATOM 1095 O ARG A 73 0.532 -13.321 5.591 1.00 55.44 O ATOM 1096 CB ARG A 73 0.771 -10.334 5.319 1.00 62.13 C ATOM 1097 CG ARG A 73 0.104 -9.996 6.670 1.00 53.54 C ATOM 1098 CD ARG A 73 -0.487 -11.193 7.396 1.00 43.11 C ATOM 1099 NE ARG A 73 -1.168 -10.788 8.633 1.00 61.00 N ATOM 1100 CZ ARG A 73 -1.449 -11.597 9.661 1.00 35.51 C ATOM 1101 NH1 ARG A 73 -1.055 -12.871 9.650 1.00 44.42 N ATOM 1102 NH2 ARG A 73 -2.122 -11.124 10.704 1.00 50.31 N ATOM 0 H ARG A 73 2.572 -10.743 3.474 1.00 14.24 H new ATOM 0 HA ARG A 73 2.321 -11.411 6.370 1.00 33.20 H new ATOM 0 HB2 ARG A 73 1.160 -9.411 4.890 1.00 62.13 H new ATOM 0 HB3 ARG A 73 0.001 -10.702 4.641 1.00 62.13 H new ATOM 0 HG2 ARG A 73 0.842 -9.522 7.317 1.00 53.54 H new ATOM 0 HG3 ARG A 73 -0.686 -9.265 6.498 1.00 53.54 H new ATOM 0 HD2 ARG A 73 -1.192 -11.705 6.742 1.00 43.11 H new ATOM 0 HD3 ARG A 73 0.304 -11.905 7.631 1.00 43.11 H new ATOM 0 HE ARG A 73 -1.449 -9.811 8.715 1.00 61.00 H new ATOM 0 HH11 ARG A 73 -0.534 -13.237 8.853 1.00 44.42 H new ATOM 0 HH12 ARG A 73 -1.274 -13.479 10.439 1.00 44.42 H new ATOM 0 HH21 ARG A 73 -2.422 -10.149 10.718 1.00 50.31 H new ATOM 0 HH22 ARG A 73 -2.339 -11.736 11.491 1.00 50.31 H new ATOM 1116 N ASP A 74 1.979 -13.278 3.872 1.00 52.34 N ATOM 1117 CA ASP A 74 1.598 -14.572 3.291 1.00 54.52 C ATOM 1118 C ASP A 74 0.212 -14.565 2.734 1.00 53.32 C ATOM 1119 O ASP A 74 -0.783 -14.634 3.460 1.00 11.24 O ATOM 1120 CB ASP A 74 1.848 -15.762 4.215 1.00 43.21 C ATOM 1121 CG ASP A 74 3.299 -16.099 4.296 1.00 15.30 C ATOM 1122 OD1 ASP A 74 4.050 -15.477 5.097 1.00 22.14 O ATOM 1123 OD2 ASP A 74 3.741 -16.976 3.548 1.00 51.40 O ATOM 0 H ASP A 74 2.735 -12.814 3.368 1.00 52.34 H new ATOM 0 HA ASP A 74 2.275 -14.715 2.449 1.00 54.52 H new ATOM 0 HB2 ASP A 74 1.470 -15.535 5.212 1.00 43.21 H new ATOM 0 HB3 ASP A 74 1.293 -16.627 3.853 1.00 43.21 H new ATOM 1128 N GLY A 75 0.161 -14.468 1.447 1.00 42.10 N ATOM 1129 CA GLY A 75 -1.068 -14.356 0.739 1.00 52.01 C ATOM 1130 C GLY A 75 -1.053 -13.078 -0.035 1.00 31.24 C ATOM 1131 O GLY A 75 -1.320 -13.049 -1.233 1.00 62.30 O ATOM 0 H GLY A 75 0.987 -14.464 0.849 1.00 42.10 H new ATOM 0 HA2 GLY A 75 -1.197 -15.205 0.067 1.00 52.01 H new ATOM 0 HA3 GLY A 75 -1.908 -14.369 1.433 1.00 52.01 H new ATOM 1135 N ARG A 76 -0.716 -12.013 0.657 1.00 63.45 N ATOM 1136 CA ARG A 76 -0.590 -10.716 0.066 1.00 24.31 C ATOM 1137 C ARG A 76 0.614 -9.996 0.647 1.00 72.13 C ATOM 1138 O ARG A 76 1.160 -10.409 1.693 1.00 42.51 O ATOM 1139 CB ARG A 76 -1.864 -9.909 0.271 1.00 52.33 C ATOM 1140 CG ARG A 76 -2.275 -9.725 1.720 1.00 61.42 C ATOM 1141 CD ARG A 76 -3.551 -8.945 1.786 1.00 43.34 C ATOM 1142 NE ARG A 76 -4.037 -8.736 3.138 1.00 61.00 N ATOM 1143 CZ ARG A 76 -4.958 -7.830 3.464 1.00 31.32 C ATOM 1144 NH1 ARG A 76 -5.423 -6.994 2.531 1.00 54.51 N ATOM 1145 NH2 ARG A 76 -5.403 -7.753 4.714 1.00 53.42 N ATOM 0 H ARG A 76 -0.521 -12.032 1.658 1.00 63.45 H new ATOM 0 HA ARG A 76 -0.437 -10.829 -1.007 1.00 24.31 H new ATOM 0 HB2 ARG A 76 -1.732 -8.926 -0.182 1.00 52.33 H new ATOM 0 HB3 ARG A 76 -2.678 -10.399 -0.263 1.00 52.33 H new ATOM 0 HG2 ARG A 76 -2.406 -10.696 2.197 1.00 61.42 H new ATOM 0 HG3 ARG A 76 -1.490 -9.204 2.268 1.00 61.42 H new ATOM 0 HD2 ARG A 76 -3.400 -7.976 1.310 1.00 43.34 H new ATOM 0 HD3 ARG A 76 -4.316 -9.467 1.211 1.00 43.34 H new ATOM 0 HE ARG A 76 -3.651 -9.317 3.882 1.00 61.00 H new ATOM 0 HH11 ARG A 76 -5.073 -7.051 1.575 1.00 54.51 H new ATOM 0 HH12 ARG A 76 -6.128 -6.299 2.775 1.00 54.51 H new ATOM 0 HH21 ARG A 76 -5.039 -8.388 5.425 1.00 53.42 H new ATOM 0 HH22 ARG A 76 -6.108 -7.059 4.963 1.00 53.42 H new ATOM 1159 N TYR A 77 1.034 -8.953 -0.015 1.00 72.34 N ATOM 1160 CA TYR A 77 2.163 -8.179 0.421 1.00 21.11 C ATOM 1161 C TYR A 77 1.713 -6.799 0.799 1.00 11.31 C ATOM 1162 O TYR A 77 0.804 -6.241 0.173 1.00 61.14 O ATOM 1163 CB TYR A 77 3.228 -8.105 -0.671 1.00 51.52 C ATOM 1164 CG TYR A 77 3.762 -9.451 -1.080 1.00 70.41 C ATOM 1165 CD1 TYR A 77 4.775 -10.061 -0.359 1.00 34.13 C ATOM 1166 CD2 TYR A 77 3.250 -10.116 -2.186 1.00 63.12 C ATOM 1167 CE1 TYR A 77 5.264 -11.293 -0.725 1.00 30.42 C ATOM 1168 CE2 TYR A 77 3.733 -11.346 -2.558 1.00 45.31 C ATOM 1169 CZ TYR A 77 4.738 -11.930 -1.825 1.00 74.24 C ATOM 1170 OH TYR A 77 5.226 -13.152 -2.196 1.00 4.14 O ATOM 0 H TYR A 77 0.601 -8.615 -0.875 1.00 72.34 H new ATOM 0 HA TYR A 77 2.604 -8.666 1.291 1.00 21.11 H new ATOM 0 HB2 TYR A 77 2.807 -7.609 -1.545 1.00 51.52 H new ATOM 0 HB3 TYR A 77 4.054 -7.486 -0.321 1.00 51.52 H new ATOM 0 HD1 TYR A 77 5.188 -9.561 0.505 1.00 34.13 H new ATOM 0 HD2 TYR A 77 2.460 -9.659 -2.763 1.00 63.12 H new ATOM 0 HE1 TYR A 77 6.054 -11.757 -0.154 1.00 30.42 H new ATOM 0 HE2 TYR A 77 3.326 -11.851 -3.421 1.00 45.31 H new ATOM 0 HH TYR A 77 5.638 -13.084 -3.083 1.00 4.14 H new ATOM 1180 N ILE A 78 2.306 -6.266 1.826 1.00 15.44 N ATOM 1181 CA ILE A 78 1.966 -4.951 2.285 1.00 53.43 C ATOM 1182 C ILE A 78 3.111 -4.035 1.884 1.00 54.13 C ATOM 1183 O ILE A 78 4.266 -4.300 2.214 1.00 70.50 O ATOM 1184 CB ILE A 78 1.796 -4.920 3.833 1.00 51.51 C ATOM 1185 CG1 ILE A 78 1.023 -6.145 4.312 1.00 34.00 C ATOM 1186 CG2 ILE A 78 1.036 -3.670 4.261 1.00 64.15 C ATOM 1187 CD1 ILE A 78 -0.365 -6.268 3.726 1.00 13.44 C ATOM 0 H ILE A 78 3.036 -6.728 2.368 1.00 15.44 H new ATOM 0 HA ILE A 78 1.020 -4.635 1.845 1.00 53.43 H new ATOM 0 HB ILE A 78 2.792 -4.917 4.276 1.00 51.51 H new ATOM 0 HG12 ILE A 78 1.592 -7.041 4.062 1.00 34.00 H new ATOM 0 HG13 ILE A 78 0.945 -6.110 5.399 1.00 34.00 H new ATOM 0 HG21 ILE A 78 0.926 -3.664 5.345 1.00 64.15 H new ATOM 0 HG22 ILE A 78 1.588 -2.784 3.948 1.00 64.15 H new ATOM 0 HG23 ILE A 78 0.050 -3.667 3.796 1.00 64.15 H new ATOM 0 HD11 ILE A 78 -0.847 -7.164 4.117 1.00 13.44 H new ATOM 0 HD12 ILE A 78 -0.954 -5.392 3.998 1.00 13.44 H new ATOM 0 HD13 ILE A 78 -0.297 -6.337 2.640 1.00 13.44 H new ATOM 1199 N TYR A 79 2.803 -3.008 1.163 1.00 32.51 N ATOM 1200 CA TYR A 79 3.795 -2.107 0.656 1.00 31.21 C ATOM 1201 C TYR A 79 3.821 -0.816 1.409 1.00 42.25 C ATOM 1202 O TYR A 79 2.784 -0.304 1.865 1.00 64.52 O ATOM 1203 CB TYR A 79 3.574 -1.828 -0.825 1.00 64.40 C ATOM 1204 CG TYR A 79 3.696 -3.039 -1.689 1.00 42.34 C ATOM 1205 CD1 TYR A 79 2.597 -3.842 -1.963 1.00 11.42 C ATOM 1206 CD2 TYR A 79 4.914 -3.389 -2.223 1.00 74.24 C ATOM 1207 CE1 TYR A 79 2.724 -4.962 -2.751 1.00 42.32 C ATOM 1208 CE2 TYR A 79 5.048 -4.497 -3.000 1.00 42.32 C ATOM 1209 CZ TYR A 79 3.955 -5.283 -3.265 1.00 41.41 C ATOM 1210 OH TYR A 79 4.109 -6.410 -4.036 1.00 30.23 O ATOM 0 H TYR A 79 1.847 -2.765 0.904 1.00 32.51 H new ATOM 0 HA TYR A 79 4.759 -2.598 0.791 1.00 31.21 H new ATOM 0 HB2 TYR A 79 2.583 -1.395 -0.960 1.00 64.40 H new ATOM 0 HB3 TYR A 79 4.296 -1.082 -1.157 1.00 64.40 H new ATOM 0 HD1 TYR A 79 1.632 -3.584 -1.553 1.00 11.42 H new ATOM 0 HD2 TYR A 79 5.779 -2.774 -2.022 1.00 74.24 H new ATOM 0 HE1 TYR A 79 1.865 -5.581 -2.963 1.00 42.32 H new ATOM 0 HE2 TYR A 79 6.013 -4.758 -3.408 1.00 42.32 H new ATOM 0 HH TYR A 79 3.712 -6.259 -4.919 1.00 30.23 H new ATOM 1220 N TYR A 80 4.992 -0.316 1.571 1.00 62.41 N ATOM 1221 CA TYR A 80 5.226 0.949 2.166 1.00 25.13 C ATOM 1222 C TYR A 80 6.136 1.738 1.271 1.00 34.00 C ATOM 1223 O TYR A 80 7.348 1.524 1.247 1.00 71.34 O ATOM 1224 CB TYR A 80 5.813 0.804 3.571 1.00 44.21 C ATOM 1225 CG TYR A 80 4.862 0.188 4.570 1.00 10.34 C ATOM 1226 CD1 TYR A 80 4.677 -1.183 4.628 1.00 41.01 C ATOM 1227 CD2 TYR A 80 4.142 0.986 5.445 1.00 13.11 C ATOM 1228 CE1 TYR A 80 3.806 -1.744 5.522 1.00 65.00 C ATOM 1229 CE2 TYR A 80 3.265 0.431 6.353 1.00 22.15 C ATOM 1230 CZ TYR A 80 3.102 -0.937 6.385 1.00 30.41 C ATOM 1231 OH TYR A 80 2.222 -1.495 7.270 1.00 11.23 O ATOM 0 H TYR A 80 5.845 -0.794 1.282 1.00 62.41 H new ATOM 0 HA TYR A 80 4.280 1.478 2.278 1.00 25.13 H new ATOM 0 HB2 TYR A 80 6.714 0.193 3.517 1.00 44.21 H new ATOM 0 HB3 TYR A 80 6.116 1.787 3.931 1.00 44.21 H new ATOM 0 HD1 TYR A 80 5.230 -1.821 3.955 1.00 41.01 H new ATOM 0 HD2 TYR A 80 4.270 2.058 5.415 1.00 13.11 H new ATOM 0 HE1 TYR A 80 3.672 -2.815 5.550 1.00 65.00 H new ATOM 0 HE2 TYR A 80 2.711 1.062 7.032 1.00 22.15 H new ATOM 0 HH TYR A 80 1.980 -0.834 7.951 1.00 11.23 H new ATOM 1241 N LEU A 81 5.537 2.582 0.484 1.00 2.12 N ATOM 1242 CA LEU A 81 6.234 3.425 -0.427 1.00 34.50 C ATOM 1243 C LEU A 81 6.953 4.473 0.381 1.00 34.41 C ATOM 1244 O LEU A 81 6.309 5.245 1.108 1.00 51.12 O ATOM 1245 CB LEU A 81 5.218 4.134 -1.372 1.00 2.43 C ATOM 1246 CG LEU A 81 4.336 3.267 -2.318 1.00 13.44 C ATOM 1247 CD1 LEU A 81 5.157 2.343 -3.166 1.00 2.13 C ATOM 1248 CD2 LEU A 81 3.239 2.509 -1.602 1.00 33.11 C ATOM 0 H LEU A 81 4.524 2.702 0.461 1.00 2.12 H new ATOM 0 HA LEU A 81 6.931 2.839 -1.025 1.00 34.50 H new ATOM 0 HB2 LEU A 81 4.548 4.727 -0.750 1.00 2.43 H new ATOM 0 HB3 LEU A 81 5.778 4.833 -1.993 1.00 2.43 H new ATOM 0 HG LEU A 81 3.840 3.982 -2.975 1.00 13.44 H new ATOM 0 HD11 LEU A 81 4.499 1.759 -3.809 1.00 2.13 H new ATOM 0 HD12 LEU A 81 5.842 2.926 -3.781 1.00 2.13 H new ATOM 0 HD13 LEU A 81 5.728 1.671 -2.525 1.00 2.13 H new ATOM 0 HD21 LEU A 81 2.667 1.928 -2.325 1.00 33.11 H new ATOM 0 HD22 LEU A 81 3.681 1.838 -0.866 1.00 33.11 H new ATOM 0 HD23 LEU A 81 2.578 3.215 -1.099 1.00 33.11 H new ATOM 1260 N ILE A 82 8.257 4.514 0.296 1.00 74.30 N ATOM 1261 CA ILE A 82 8.980 5.523 1.014 1.00 21.11 C ATOM 1262 C ILE A 82 8.974 6.742 0.157 1.00 51.14 C ATOM 1263 O ILE A 82 9.738 6.858 -0.809 1.00 11.01 O ATOM 1264 CB ILE A 82 10.429 5.125 1.359 1.00 23.23 C ATOM 1265 CG1 ILE A 82 10.474 3.774 2.102 1.00 55.42 C ATOM 1266 CG2 ILE A 82 11.045 6.212 2.226 1.00 51.12 C ATOM 1267 CD1 ILE A 82 9.736 3.752 3.427 1.00 21.44 C ATOM 0 H ILE A 82 8.829 3.872 -0.253 1.00 74.30 H new ATOM 0 HA ILE A 82 8.493 5.685 1.976 1.00 21.11 H new ATOM 0 HB ILE A 82 10.994 5.016 0.433 1.00 23.23 H new ATOM 0 HG12 ILE A 82 10.053 3.005 1.455 1.00 55.42 H new ATOM 0 HG13 ILE A 82 11.516 3.507 2.278 1.00 55.42 H new ATOM 0 HG21 ILE A 82 12.071 5.940 2.476 1.00 51.12 H new ATOM 0 HG22 ILE A 82 11.042 7.157 1.682 1.00 51.12 H new ATOM 0 HG23 ILE A 82 10.464 6.319 3.142 1.00 51.12 H new ATOM 0 HD11 ILE A 82 9.823 2.762 3.875 1.00 21.44 H new ATOM 0 HD12 ILE A 82 10.170 4.494 4.098 1.00 21.44 H new ATOM 0 HD13 ILE A 82 8.684 3.984 3.261 1.00 21.44 H new ATOM 1279 N THR A 83 8.082 7.615 0.467 1.00 74.21 N ATOM 1280 CA THR A 83 7.838 8.730 -0.346 1.00 73.33 C ATOM 1281 C THR A 83 8.730 9.910 0.042 1.00 60.23 C ATOM 1282 O THR A 83 9.323 10.553 -0.814 1.00 0.45 O ATOM 1283 CB THR A 83 6.377 9.111 -0.219 1.00 13.12 C ATOM 1284 OG1 THR A 83 5.608 7.904 -0.137 1.00 74.12 O ATOM 1285 CG2 THR A 83 5.947 9.829 -1.452 1.00 22.12 C ATOM 0 H THR A 83 7.500 7.565 1.303 1.00 74.21 H new ATOM 0 HA THR A 83 8.071 8.474 -1.380 1.00 73.33 H new ATOM 0 HB THR A 83 6.234 9.740 0.659 1.00 13.12 H new ATOM 0 HG1 THR A 83 4.972 7.870 -0.882 1.00 74.12 H new ATOM 0 HG21 THR A 83 4.896 10.105 -1.365 1.00 22.12 H new ATOM 0 HG22 THR A 83 6.549 10.729 -1.578 1.00 22.12 H new ATOM 0 HG23 THR A 83 6.081 9.179 -2.317 1.00 22.12 H new ATOM 1293 N LYS A 84 8.847 10.183 1.324 1.00 53.55 N ATOM 1294 CA LYS A 84 9.624 11.280 1.749 1.00 64.23 C ATOM 1295 C LYS A 84 10.506 10.865 2.890 1.00 50.15 C ATOM 1296 O LYS A 84 10.169 9.944 3.605 1.00 14.31 O ATOM 1297 CB LYS A 84 8.748 12.510 2.088 1.00 12.32 C ATOM 1298 CG LYS A 84 7.718 12.406 3.251 1.00 43.11 C ATOM 1299 CD LYS A 84 6.586 11.411 3.014 1.00 65.04 C ATOM 1300 CE LYS A 84 5.440 11.618 4.020 1.00 65.34 C ATOM 1301 NZ LYS A 84 5.873 11.527 5.441 1.00 31.33 N ATOM 0 H LYS A 84 8.407 9.649 2.073 1.00 53.55 H new ATOM 0 HA LYS A 84 10.266 11.595 0.927 1.00 64.23 H new ATOM 0 HB2 LYS A 84 9.418 13.339 2.315 1.00 12.32 H new ATOM 0 HB3 LYS A 84 8.200 12.782 1.186 1.00 12.32 H new ATOM 0 HG2 LYS A 84 8.246 12.124 4.162 1.00 43.11 H new ATOM 0 HG3 LYS A 84 7.286 13.392 3.425 1.00 43.11 H new ATOM 0 HD2 LYS A 84 6.206 11.524 1.999 1.00 65.04 H new ATOM 0 HD3 LYS A 84 6.969 10.394 3.100 1.00 65.04 H new ATOM 0 HE2 LYS A 84 4.988 12.595 3.848 1.00 65.34 H new ATOM 0 HE3 LYS A 84 4.666 10.872 3.836 1.00 65.34 H new ATOM 0 HZ1 LYS A 84 5.131 11.919 6.056 1.00 31.33 H new ATOM 0 HZ2 LYS A 84 6.038 10.531 5.690 1.00 31.33 H new ATOM 0 HZ3 LYS A 84 6.752 12.067 5.571 1.00 31.33 H new ATOM 1315 N LYS A 85 11.643 11.515 3.029 1.00 13.15 N ATOM 1316 CA LYS A 85 12.612 11.168 4.063 1.00 23.41 C ATOM 1317 C LYS A 85 12.040 11.341 5.458 1.00 43.42 C ATOM 1318 O LYS A 85 11.759 10.369 6.145 1.00 2.21 O ATOM 1319 CB LYS A 85 13.898 11.977 3.909 1.00 44.12 C ATOM 1320 CG LYS A 85 14.591 11.780 2.579 1.00 21.41 C ATOM 1321 CD LYS A 85 15.894 12.543 2.522 1.00 44.42 C ATOM 1322 CE LYS A 85 16.620 12.299 1.215 1.00 44.10 C ATOM 1323 NZ LYS A 85 17.908 13.022 1.156 1.00 52.41 N ATOM 0 H LYS A 85 11.926 12.295 2.435 1.00 13.15 H new ATOM 0 HA LYS A 85 12.850 10.112 3.932 1.00 23.41 H new ATOM 0 HB2 LYS A 85 13.667 13.035 4.034 1.00 44.12 H new ATOM 0 HB3 LYS A 85 14.585 11.704 4.710 1.00 44.12 H new ATOM 0 HG2 LYS A 85 14.781 10.719 2.419 1.00 21.41 H new ATOM 0 HG3 LYS A 85 13.937 12.112 1.773 1.00 21.41 H new ATOM 0 HD2 LYS A 85 15.699 13.609 2.638 1.00 44.42 H new ATOM 0 HD3 LYS A 85 16.530 12.243 3.355 1.00 44.42 H new ATOM 0 HE2 LYS A 85 16.798 11.231 1.092 1.00 44.10 H new ATOM 0 HE3 LYS A 85 15.988 12.614 0.385 1.00 44.10 H new ATOM 0 HZ1 LYS A 85 18.373 12.829 0.246 1.00 52.41 H new ATOM 0 HZ2 LYS A 85 17.737 14.044 1.247 1.00 52.41 H new ATOM 0 HZ3 LYS A 85 18.521 12.703 1.933 1.00 52.41 H new ATOM 1337 N ARG A 86 11.849 12.568 5.861 1.00 10.33 N ATOM 1338 CA ARG A 86 11.300 12.839 7.169 1.00 24.31 C ATOM 1339 C ARG A 86 9.805 12.750 7.142 1.00 5.13 C ATOM 1340 O ARG A 86 9.179 12.949 6.090 1.00 24.23 O ATOM 1341 CB ARG A 86 11.730 14.209 7.696 1.00 13.33 C ATOM 1342 CG ARG A 86 13.207 14.355 7.953 1.00 23.33 C ATOM 1343 CD ARG A 86 13.646 13.378 9.002 1.00 4.21 C ATOM 1344 NE ARG A 86 15.065 13.490 9.314 1.00 33.50 N ATOM 1345 CZ ARG A 86 15.771 12.561 9.952 1.00 21.23 C ATOM 1346 NH1 ARG A 86 15.188 11.422 10.316 1.00 43.14 N ATOM 1347 NH2 ARG A 86 17.057 12.765 10.215 1.00 34.43 N ATOM 0 H ARG A 86 12.064 13.397 5.306 1.00 10.33 H new ATOM 0 HA ARG A 86 11.694 12.081 7.846 1.00 24.31 H new ATOM 0 HB2 ARG A 86 11.424 14.970 6.979 1.00 13.33 H new ATOM 0 HB3 ARG A 86 11.193 14.410 8.623 1.00 13.33 H new ATOM 0 HG2 ARG A 86 13.763 14.185 7.031 1.00 23.33 H new ATOM 0 HG3 ARG A 86 13.429 15.372 8.276 1.00 23.33 H new ATOM 0 HD2 ARG A 86 13.064 13.540 9.910 1.00 4.21 H new ATOM 0 HD3 ARG A 86 13.431 12.365 8.662 1.00 4.21 H new ATOM 0 HE ARG A 86 15.550 14.339 9.023 1.00 33.50 H new ATOM 0 HH11 ARG A 86 14.203 11.263 10.106 1.00 43.14 H new ATOM 0 HH12 ARG A 86 15.726 10.707 10.805 1.00 43.14 H new ATOM 0 HH21 ARG A 86 17.505 13.635 9.928 1.00 34.43 H new ATOM 0 HH22 ARG A 86 17.597 12.051 10.704 1.00 34.43 H new ATOM 1361 N ALA A 87 9.229 12.443 8.276 1.00 3.31 N ATOM 1362 CA ALA A 87 7.786 12.375 8.426 1.00 55.45 C ATOM 1363 C ALA A 87 7.134 13.704 8.073 1.00 73.11 C ATOM 1364 O ALA A 87 6.024 13.734 7.549 1.00 0.50 O ATOM 1365 CB ALA A 87 7.419 11.962 9.835 1.00 62.52 C ATOM 0 H ALA A 87 9.745 12.231 9.130 1.00 3.31 H new ATOM 0 HA ALA A 87 7.411 11.622 7.733 1.00 55.45 H new ATOM 0 HB1 ALA A 87 6.334 11.916 9.930 1.00 62.52 H new ATOM 0 HB2 ALA A 87 7.844 10.981 10.049 1.00 62.52 H new ATOM 0 HB3 ALA A 87 7.814 12.691 10.542 1.00 62.52 H new ATOM 1371 N SER A 88 7.842 14.786 8.337 1.00 10.25 N ATOM 1372 CA SER A 88 7.352 16.119 8.062 1.00 4.34 C ATOM 1373 C SER A 88 7.674 16.558 6.618 1.00 44.41 C ATOM 1374 O SER A 88 7.281 17.650 6.199 1.00 15.45 O ATOM 1375 CB SER A 88 7.948 17.112 9.081 1.00 45.12 C ATOM 1376 OG SER A 88 7.439 18.430 8.898 1.00 2.43 O ATOM 0 H SER A 88 8.775 14.763 8.749 1.00 10.25 H new ATOM 0 HA SER A 88 6.267 16.111 8.161 1.00 4.34 H new ATOM 0 HB2 SER A 88 7.723 16.773 10.092 1.00 45.12 H new ATOM 0 HB3 SER A 88 9.034 17.125 8.983 1.00 45.12 H new ATOM 0 HG SER A 88 7.115 18.531 7.979 1.00 2.43 H new ATOM 1382 N HIS A 89 8.379 15.716 5.862 1.00 62.43 N ATOM 1383 CA HIS A 89 8.710 16.056 4.478 1.00 13.45 C ATOM 1384 C HIS A 89 7.522 16.002 3.591 1.00 74.23 C ATOM 1385 O HIS A 89 6.561 15.271 3.850 1.00 34.31 O ATOM 1386 CB HIS A 89 9.823 15.180 3.867 1.00 31.42 C ATOM 1387 CG HIS A 89 11.214 15.591 4.202 1.00 62.12 C ATOM 1388 ND1 HIS A 89 11.700 16.312 5.219 1.00 53.44 N flip ATOM 1389 CD2 HIS A 89 12.301 15.228 3.442 1.00 51.44 C flip ATOM 1390 CE1 HIS A 89 13.063 16.370 5.066 1.00 51.41 C flip ATOM 1391 NE2 HIS A 89 13.398 15.700 3.985 1.00 21.24 N flip ATOM 0 H HIS A 89 8.726 14.810 6.177 1.00 62.43 H new ATOM 0 HA HIS A 89 9.083 17.078 4.537 1.00 13.45 H new ATOM 0 HB2 HIS A 89 9.676 14.152 4.198 1.00 31.42 H new ATOM 0 HB3 HIS A 89 9.712 15.185 2.783 1.00 31.42 H new ATOM 0 HD2 HIS A 89 12.258 14.643 2.535 1.00 51.44 H new ATOM 0 HE1 HIS A 89 13.748 16.882 5.725 1.00 51.41 H new ATOM 0 HE2 HIS A 89 14.346 15.570 3.631 1.00 21.24 H new ATOM 1400 N LYS A 90 7.595 16.757 2.548 1.00 72.11 N ATOM 1401 CA LYS A 90 6.570 16.748 1.548 1.00 35.22 C ATOM 1402 C LYS A 90 6.885 15.612 0.576 1.00 52.52 C ATOM 1403 O LYS A 90 8.060 15.364 0.282 1.00 74.35 O ATOM 1404 CB LYS A 90 6.516 18.092 0.777 1.00 42.40 C ATOM 1405 CG LYS A 90 7.761 18.402 -0.058 1.00 50.15 C ATOM 1406 CD LYS A 90 7.606 19.690 -0.851 1.00 1.32 C ATOM 1407 CE LYS A 90 8.809 19.940 -1.756 1.00 2.10 C ATOM 1408 NZ LYS A 90 10.071 20.062 -1.000 1.00 3.14 N ATOM 0 H LYS A 90 8.365 17.399 2.360 1.00 72.11 H new ATOM 0 HA LYS A 90 5.600 16.606 2.024 1.00 35.22 H new ATOM 0 HB2 LYS A 90 5.647 18.083 0.119 1.00 42.40 H new ATOM 0 HB3 LYS A 90 6.365 18.900 1.493 1.00 42.40 H new ATOM 0 HG2 LYS A 90 8.628 18.482 0.598 1.00 50.15 H new ATOM 0 HG3 LYS A 90 7.954 17.576 -0.742 1.00 50.15 H new ATOM 0 HD2 LYS A 90 6.700 19.640 -1.455 1.00 1.32 H new ATOM 0 HD3 LYS A 90 7.486 20.528 -0.165 1.00 1.32 H new ATOM 0 HE2 LYS A 90 8.896 19.123 -2.472 1.00 2.10 H new ATOM 0 HE3 LYS A 90 8.644 20.852 -2.330 1.00 2.10 H new ATOM 0 HZ1 LYS A 90 10.832 20.364 -1.641 1.00 3.14 H new ATOM 0 HZ2 LYS A 90 9.956 20.766 -0.243 1.00 3.14 H new ATOM 0 HZ3 LYS A 90 10.316 19.142 -0.582 1.00 3.14 H new ATOM 1422 N PRO A 91 5.886 14.873 0.113 1.00 2.11 N ATOM 1423 CA PRO A 91 6.105 13.839 -0.887 1.00 64.10 C ATOM 1424 C PRO A 91 6.445 14.475 -2.233 1.00 11.22 C ATOM 1425 O PRO A 91 5.829 15.469 -2.629 1.00 43.44 O ATOM 1426 CB PRO A 91 4.741 13.124 -0.973 1.00 11.12 C ATOM 1427 CG PRO A 91 3.986 13.575 0.229 1.00 61.13 C ATOM 1428 CD PRO A 91 4.489 14.950 0.527 1.00 2.51 C ATOM 0 HA PRO A 91 6.926 13.168 -0.634 1.00 64.10 H new ATOM 0 HB2 PRO A 91 4.215 13.389 -1.890 1.00 11.12 H new ATOM 0 HB3 PRO A 91 4.864 12.041 -0.977 1.00 11.12 H new ATOM 0 HG2 PRO A 91 2.913 13.583 0.038 1.00 61.13 H new ATOM 0 HG3 PRO A 91 4.154 12.905 1.072 1.00 61.13 H new ATOM 0 HD2 PRO A 91 3.942 15.711 -0.030 1.00 2.51 H new ATOM 0 HD3 PRO A 91 4.392 15.197 1.584 1.00 2.51 H new ATOM 1436 N THR A 92 7.406 13.919 -2.927 1.00 11.13 N ATOM 1437 CA THR A 92 7.783 14.426 -4.183 1.00 71.54 C ATOM 1438 C THR A 92 7.113 13.575 -5.221 1.00 13.24 C ATOM 1439 O THR A 92 6.858 12.395 -4.970 1.00 31.33 O ATOM 1440 CB THR A 92 9.309 14.260 -4.344 1.00 0.10 C ATOM 1441 OG1 THR A 92 9.990 14.887 -3.290 1.00 51.52 O ATOM 1442 CG2 THR A 92 9.800 14.833 -5.635 1.00 73.54 C ATOM 0 H THR A 92 7.937 13.104 -2.621 1.00 11.13 H new ATOM 0 HA THR A 92 7.505 15.475 -4.281 1.00 71.54 H new ATOM 0 HB THR A 92 9.509 13.189 -4.335 1.00 0.10 H new ATOM 0 HG1 THR A 92 10.956 14.769 -3.409 1.00 51.52 H new ATOM 0 HG21 THR A 92 10.879 14.695 -5.707 1.00 73.54 H new ATOM 0 HG22 THR A 92 9.312 14.325 -6.467 1.00 73.54 H new ATOM 0 HG23 THR A 92 9.567 15.897 -5.673 1.00 73.54 H new ATOM 1450 N TYR A 93 6.857 14.127 -6.375 1.00 73.11 N ATOM 1451 CA TYR A 93 6.308 13.361 -7.441 1.00 71.34 C ATOM 1452 C TYR A 93 7.306 12.320 -7.920 1.00 24.53 C ATOM 1453 O TYR A 93 6.949 11.166 -8.110 1.00 13.50 O ATOM 1454 CB TYR A 93 5.844 14.246 -8.578 1.00 11.21 C ATOM 1455 CG TYR A 93 4.615 15.058 -8.258 1.00 42.22 C ATOM 1456 CD1 TYR A 93 3.367 14.546 -8.528 1.00 24.30 C ATOM 1457 CD2 TYR A 93 4.697 16.335 -7.715 1.00 73.24 C ATOM 1458 CE1 TYR A 93 2.234 15.259 -8.269 1.00 2.11 C ATOM 1459 CE2 TYR A 93 3.561 17.065 -7.457 1.00 33.42 C ATOM 1460 CZ TYR A 93 2.327 16.521 -7.737 1.00 51.21 C ATOM 1461 OH TYR A 93 1.175 17.257 -7.494 1.00 31.44 O ATOM 0 H TYR A 93 7.023 15.109 -6.594 1.00 73.11 H new ATOM 0 HA TYR A 93 5.430 12.838 -7.062 1.00 71.34 H new ATOM 0 HB2 TYR A 93 6.653 14.923 -8.852 1.00 11.21 H new ATOM 0 HB3 TYR A 93 5.640 13.624 -9.449 1.00 11.21 H new ATOM 0 HD1 TYR A 93 3.283 13.557 -8.955 1.00 24.30 H new ATOM 0 HD2 TYR A 93 5.665 16.759 -7.493 1.00 73.24 H new ATOM 0 HE1 TYR A 93 1.265 14.832 -8.482 1.00 2.11 H new ATOM 0 HE2 TYR A 93 3.636 18.058 -7.038 1.00 33.42 H new ATOM 0 HH TYR A 93 1.270 18.152 -7.883 1.00 31.44 H new ATOM 1471 N GLU A 94 8.578 12.720 -8.059 1.00 31.22 N ATOM 1472 CA GLU A 94 9.604 11.798 -8.490 1.00 14.33 C ATOM 1473 C GLU A 94 9.734 10.671 -7.475 1.00 72.32 C ATOM 1474 O GLU A 94 9.695 9.503 -7.825 1.00 32.22 O ATOM 1475 CB GLU A 94 10.951 12.491 -8.613 1.00 62.00 C ATOM 1476 CG GLU A 94 12.004 11.583 -9.190 1.00 42.53 C ATOM 1477 CD GLU A 94 13.386 12.154 -9.128 1.00 51.54 C ATOM 1478 OE1 GLU A 94 13.725 13.014 -9.950 1.00 34.43 O ATOM 1479 OE2 GLU A 94 14.173 11.721 -8.252 1.00 73.21 O ATOM 0 H GLU A 94 8.905 13.669 -7.878 1.00 31.22 H new ATOM 0 HA GLU A 94 9.315 11.408 -9.466 1.00 14.33 H new ATOM 0 HB2 GLU A 94 10.848 13.373 -9.245 1.00 62.00 H new ATOM 0 HB3 GLU A 94 11.271 12.838 -7.630 1.00 62.00 H new ATOM 0 HG2 GLU A 94 11.987 10.634 -8.654 1.00 42.53 H new ATOM 0 HG3 GLU A 94 11.756 11.366 -10.229 1.00 42.53 H new ATOM 1486 N ASN A 95 9.867 11.045 -6.203 1.00 45.45 N ATOM 1487 CA ASN A 95 9.999 10.073 -5.111 1.00 74.25 C ATOM 1488 C ASN A 95 8.836 9.118 -5.108 1.00 14.01 C ATOM 1489 O ASN A 95 9.025 7.900 -5.045 1.00 53.44 O ATOM 1490 CB ASN A 95 10.076 10.781 -3.759 1.00 54.33 C ATOM 1491 CG ASN A 95 11.317 11.636 -3.573 1.00 14.35 C ATOM 1492 OD1 ASN A 95 11.902 12.138 -4.536 1.00 14.42 O ATOM 1493 ND2 ASN A 95 11.687 11.856 -2.344 1.00 62.43 N ATOM 0 H ASN A 95 9.887 12.019 -5.899 1.00 45.45 H new ATOM 0 HA ASN A 95 10.922 9.516 -5.273 1.00 74.25 H new ATOM 0 HB2 ASN A 95 9.194 11.410 -3.641 1.00 54.33 H new ATOM 0 HB3 ASN A 95 10.042 10.033 -2.967 1.00 54.33 H new ATOM 0 HD21 ASN A 95 12.485 12.461 -2.152 1.00 62.43 H new ATOM 0 HD22 ASN A 95 11.178 11.423 -1.573 1.00 62.43 H new ATOM 1500 N LEU A 96 7.635 9.669 -5.188 1.00 42.03 N ATOM 1501 CA LEU A 96 6.438 8.868 -5.214 1.00 33.32 C ATOM 1502 C LEU A 96 6.404 7.931 -6.431 1.00 55.54 C ATOM 1503 O LEU A 96 6.206 6.740 -6.266 1.00 50.14 O ATOM 1504 CB LEU A 96 5.182 9.748 -5.144 1.00 65.14 C ATOM 1505 CG LEU A 96 3.831 9.022 -5.056 1.00 22.41 C ATOM 1506 CD1 LEU A 96 3.768 8.127 -3.822 1.00 43.25 C ATOM 1507 CD2 LEU A 96 2.703 10.031 -5.022 1.00 12.52 C ATOM 0 H LEU A 96 7.471 10.675 -5.236 1.00 42.03 H new ATOM 0 HA LEU A 96 6.449 8.235 -4.326 1.00 33.32 H new ATOM 0 HB2 LEU A 96 5.273 10.402 -4.277 1.00 65.14 H new ATOM 0 HB3 LEU A 96 5.167 10.389 -6.026 1.00 65.14 H new ATOM 0 HG LEU A 96 3.725 8.392 -5.939 1.00 22.41 H new ATOM 0 HD11 LEU A 96 2.801 7.626 -3.785 1.00 43.25 H new ATOM 0 HD12 LEU A 96 4.562 7.381 -3.872 1.00 43.25 H new ATOM 0 HD13 LEU A 96 3.897 8.734 -2.926 1.00 43.25 H new ATOM 0 HD21 LEU A 96 1.749 9.508 -4.960 1.00 12.52 H new ATOM 0 HD22 LEU A 96 2.820 10.678 -4.153 1.00 12.52 H new ATOM 0 HD23 LEU A 96 2.727 10.635 -5.929 1.00 12.52 H new ATOM 1519 N GLN A 97 6.647 8.436 -7.642 1.00 21.12 N ATOM 1520 CA GLN A 97 6.579 7.567 -8.804 1.00 25.11 C ATOM 1521 C GLN A 97 7.658 6.475 -8.727 1.00 61.04 C ATOM 1522 O GLN A 97 7.436 5.362 -9.164 1.00 44.23 O ATOM 1523 CB GLN A 97 6.671 8.337 -10.124 1.00 64.13 C ATOM 1524 CG GLN A 97 8.037 8.855 -10.474 1.00 54.24 C ATOM 1525 CD GLN A 97 8.053 9.651 -11.760 1.00 71.40 C ATOM 1526 OE1 GLN A 97 7.875 10.862 -11.757 1.00 13.10 O ATOM 1527 NE2 GLN A 97 8.253 8.983 -12.865 1.00 35.22 N ATOM 0 H GLN A 97 6.884 9.409 -7.835 1.00 21.12 H new ATOM 0 HA GLN A 97 5.598 7.093 -8.789 1.00 25.11 H new ATOM 0 HB2 GLN A 97 6.331 7.686 -10.929 1.00 64.13 H new ATOM 0 HB3 GLN A 97 5.981 9.180 -10.082 1.00 64.13 H new ATOM 0 HG2 GLN A 97 8.402 9.482 -9.660 1.00 54.24 H new ATOM 0 HG3 GLN A 97 8.726 8.015 -10.564 1.00 54.24 H new ATOM 0 HE21 GLN A 97 8.398 7.974 -12.832 1.00 35.22 H new ATOM 0 HE22 GLN A 97 8.264 9.471 -13.761 1.00 35.22 H new ATOM 1536 N LYS A 98 8.812 6.802 -8.132 1.00 32.40 N ATOM 1537 CA LYS A 98 9.881 5.826 -7.955 1.00 50.32 C ATOM 1538 C LYS A 98 9.466 4.723 -6.979 1.00 54.22 C ATOM 1539 O LYS A 98 9.796 3.546 -7.185 1.00 30.55 O ATOM 1540 CB LYS A 98 11.211 6.487 -7.532 1.00 5.21 C ATOM 1541 CG LYS A 98 11.789 7.431 -8.585 1.00 22.31 C ATOM 1542 CD LYS A 98 13.162 7.997 -8.200 1.00 72.20 C ATOM 1543 CE LYS A 98 13.134 8.777 -6.890 1.00 51.10 C ATOM 1544 NZ LYS A 98 14.444 9.410 -6.599 1.00 23.42 N ATOM 0 H LYS A 98 9.024 7.731 -7.769 1.00 32.40 H new ATOM 0 HA LYS A 98 10.057 5.363 -8.926 1.00 50.32 H new ATOM 0 HB2 LYS A 98 11.053 7.042 -6.607 1.00 5.21 H new ATOM 0 HB3 LYS A 98 11.941 5.707 -7.315 1.00 5.21 H new ATOM 0 HG2 LYS A 98 11.875 6.899 -9.533 1.00 22.31 H new ATOM 0 HG3 LYS A 98 11.095 8.256 -8.744 1.00 22.31 H new ATOM 0 HD2 LYS A 98 13.876 7.178 -8.115 1.00 72.20 H new ATOM 0 HD3 LYS A 98 13.518 8.649 -8.998 1.00 72.20 H new ATOM 0 HE2 LYS A 98 12.362 9.545 -6.940 1.00 51.10 H new ATOM 0 HE3 LYS A 98 12.864 8.107 -6.074 1.00 51.10 H new ATOM 0 HZ1 LYS A 98 14.511 9.618 -5.582 1.00 23.42 H new ATOM 0 HZ2 LYS A 98 15.211 8.762 -6.871 1.00 23.42 H new ATOM 0 HZ3 LYS A 98 14.530 10.294 -7.140 1.00 23.42 H new ATOM 1558 N SER A 99 8.736 5.093 -5.926 1.00 21.11 N ATOM 1559 CA SER A 99 8.225 4.108 -5.003 1.00 25.52 C ATOM 1560 C SER A 99 7.177 3.210 -5.727 1.00 63.41 C ATOM 1561 O SER A 99 7.179 1.987 -5.570 1.00 11.13 O ATOM 1562 CB SER A 99 7.682 4.786 -3.711 1.00 13.24 C ATOM 1563 OG SER A 99 6.609 5.667 -3.951 1.00 2.04 O ATOM 0 H SER A 99 8.493 6.058 -5.702 1.00 21.11 H new ATOM 0 HA SER A 99 9.031 3.453 -4.672 1.00 25.52 H new ATOM 0 HB2 SER A 99 7.359 4.014 -3.012 1.00 13.24 H new ATOM 0 HB3 SER A 99 8.492 5.334 -3.229 1.00 13.24 H new ATOM 0 HG SER A 99 6.760 6.145 -4.793 1.00 2.04 H new ATOM 1569 N LEU A 100 6.322 3.840 -6.567 1.00 34.14 N ATOM 1570 CA LEU A 100 5.342 3.133 -7.426 1.00 51.43 C ATOM 1571 C LEU A 100 6.056 2.172 -8.380 1.00 33.00 C ATOM 1572 O LEU A 100 5.626 1.045 -8.538 1.00 1.45 O ATOM 1573 CB LEU A 100 4.505 4.160 -8.232 1.00 4.02 C ATOM 1574 CG LEU A 100 3.298 4.867 -7.555 1.00 24.35 C ATOM 1575 CD1 LEU A 100 2.097 3.961 -7.547 1.00 22.01 C ATOM 1576 CD2 LEU A 100 3.595 5.280 -6.126 1.00 41.43 C ATOM 0 H LEU A 100 6.292 4.855 -6.668 1.00 34.14 H new ATOM 0 HA LEU A 100 4.676 2.553 -6.787 1.00 51.43 H new ATOM 0 HB2 LEU A 100 5.187 4.937 -8.577 1.00 4.02 H new ATOM 0 HB3 LEU A 100 4.129 3.650 -9.119 1.00 4.02 H new ATOM 0 HG LEU A 100 3.099 5.765 -8.140 1.00 24.35 H new ATOM 0 HD11 LEU A 100 1.260 4.471 -7.070 1.00 22.01 H new ATOM 0 HD12 LEU A 100 1.828 3.704 -8.572 1.00 22.01 H new ATOM 0 HD13 LEU A 100 2.331 3.051 -6.994 1.00 22.01 H new ATOM 0 HD21 LEU A 100 2.719 5.769 -5.699 1.00 41.43 H new ATOM 0 HD22 LEU A 100 3.841 4.397 -5.536 1.00 41.43 H new ATOM 0 HD23 LEU A 100 4.438 5.971 -6.115 1.00 41.43 H new ATOM 1588 N GLU A 101 7.142 2.637 -9.011 1.00 42.33 N ATOM 1589 CA GLU A 101 7.969 1.797 -9.903 1.00 40.43 C ATOM 1590 C GLU A 101 8.434 0.557 -9.183 1.00 5.20 C ATOM 1591 O GLU A 101 8.264 -0.558 -9.669 1.00 35.31 O ATOM 1592 CB GLU A 101 9.207 2.560 -10.342 1.00 52.42 C ATOM 1593 CG GLU A 101 8.984 3.671 -11.328 1.00 2.42 C ATOM 1594 CD GLU A 101 8.668 3.159 -12.712 1.00 10.55 C ATOM 1595 OE1 GLU A 101 9.500 2.398 -13.267 1.00 13.13 O ATOM 1596 OE2 GLU A 101 7.641 3.533 -13.283 1.00 55.22 O ATOM 0 H GLU A 101 7.475 3.597 -8.922 1.00 42.33 H new ATOM 0 HA GLU A 101 7.356 1.528 -10.763 1.00 40.43 H new ATOM 0 HB2 GLU A 101 9.684 2.979 -9.456 1.00 52.42 H new ATOM 0 HB3 GLU A 101 9.911 1.851 -10.778 1.00 52.42 H new ATOM 0 HG2 GLU A 101 8.165 4.301 -10.981 1.00 2.42 H new ATOM 0 HG3 GLU A 101 9.874 4.299 -11.371 1.00 2.42 H new ATOM 1603 N ALA A 102 9.016 0.770 -8.027 1.00 13.14 N ATOM 1604 CA ALA A 102 9.504 -0.319 -7.190 1.00 13.41 C ATOM 1605 C ALA A 102 8.370 -1.284 -6.837 1.00 74.34 C ATOM 1606 O ALA A 102 8.517 -2.510 -6.917 1.00 61.23 O ATOM 1607 CB ALA A 102 10.147 0.233 -5.928 1.00 55.53 C ATOM 0 H ALA A 102 9.168 1.699 -7.634 1.00 13.14 H new ATOM 0 HA ALA A 102 10.257 -0.872 -7.751 1.00 13.41 H new ATOM 0 HB1 ALA A 102 10.507 -0.591 -5.312 1.00 55.53 H new ATOM 0 HB2 ALA A 102 10.984 0.877 -6.198 1.00 55.53 H new ATOM 0 HB3 ALA A 102 9.412 0.810 -5.367 1.00 55.53 H new ATOM 1613 N MET A 103 7.240 -0.717 -6.474 1.00 44.12 N ATOM 1614 CA MET A 103 6.070 -1.464 -6.117 1.00 52.34 C ATOM 1615 C MET A 103 5.510 -2.276 -7.296 1.00 52.41 C ATOM 1616 O MET A 103 5.307 -3.487 -7.166 1.00 12.21 O ATOM 1617 CB MET A 103 5.023 -0.529 -5.501 1.00 44.45 C ATOM 1618 CG MET A 103 3.684 -1.165 -5.288 1.00 43.04 C ATOM 1619 SD MET A 103 2.541 -0.166 -4.325 1.00 25.53 S ATOM 1620 CE MET A 103 2.353 1.254 -5.380 1.00 65.23 C ATOM 0 H MET A 103 7.114 0.294 -6.420 1.00 44.12 H new ATOM 0 HA MET A 103 6.353 -2.201 -5.366 1.00 52.34 H new ATOM 0 HB2 MET A 103 5.396 -0.164 -4.544 1.00 44.45 H new ATOM 0 HB3 MET A 103 4.902 0.340 -6.148 1.00 44.45 H new ATOM 0 HG2 MET A 103 3.236 -1.376 -6.259 1.00 43.04 H new ATOM 0 HG3 MET A 103 3.824 -2.122 -4.786 1.00 43.04 H new ATOM 0 HE1 MET A 103 2.679 2.148 -4.848 1.00 65.23 H new ATOM 0 HE2 MET A 103 2.959 1.124 -6.277 1.00 65.23 H new ATOM 0 HE3 MET A 103 1.306 1.361 -5.662 1.00 65.23 H new ATOM 1630 N LYS A 104 5.309 -1.622 -8.445 1.00 63.30 N ATOM 1631 CA LYS A 104 4.781 -2.279 -9.629 1.00 74.33 C ATOM 1632 C LYS A 104 5.731 -3.380 -10.098 1.00 41.03 C ATOM 1633 O LYS A 104 5.306 -4.411 -10.593 1.00 32.15 O ATOM 1634 CB LYS A 104 4.461 -1.227 -10.733 1.00 4.42 C ATOM 1635 CG LYS A 104 5.619 -0.485 -11.375 1.00 14.25 C ATOM 1636 CD LYS A 104 6.308 -1.282 -12.458 1.00 71.45 C ATOM 1637 CE LYS A 104 7.432 -0.483 -13.088 1.00 52.05 C ATOM 1638 NZ LYS A 104 8.123 -1.237 -14.160 1.00 50.03 N ATOM 0 H LYS A 104 5.508 -0.630 -8.573 1.00 63.30 H new ATOM 0 HA LYS A 104 3.839 -2.770 -9.386 1.00 74.33 H new ATOM 0 HB2 LYS A 104 3.910 -1.733 -11.525 1.00 4.42 H new ATOM 0 HB3 LYS A 104 3.789 -0.485 -10.301 1.00 4.42 H new ATOM 0 HG2 LYS A 104 5.253 0.450 -11.798 1.00 14.25 H new ATOM 0 HG3 LYS A 104 6.346 -0.224 -10.606 1.00 14.25 H new ATOM 0 HD2 LYS A 104 6.705 -2.206 -12.038 1.00 71.45 H new ATOM 0 HD3 LYS A 104 5.585 -1.564 -13.223 1.00 71.45 H new ATOM 0 HE2 LYS A 104 7.031 0.444 -13.499 1.00 52.05 H new ATOM 0 HE3 LYS A 104 8.153 -0.205 -12.319 1.00 52.05 H new ATOM 0 HZ1 LYS A 104 8.883 -0.652 -14.561 1.00 50.03 H new ATOM 0 HZ2 LYS A 104 8.529 -2.109 -13.765 1.00 50.03 H new ATOM 0 HZ3 LYS A 104 7.442 -1.480 -14.908 1.00 50.03 H new ATOM 1652 N SER A 105 7.023 -3.154 -9.879 1.00 51.41 N ATOM 1653 CA SER A 105 8.063 -4.098 -10.229 1.00 54.42 C ATOM 1654 C SER A 105 7.968 -5.343 -9.344 1.00 72.02 C ATOM 1655 O SER A 105 8.043 -6.479 -9.829 1.00 64.00 O ATOM 1656 CB SER A 105 9.435 -3.420 -10.077 1.00 74.31 C ATOM 1657 OG SER A 105 10.506 -4.285 -10.397 1.00 5.23 O ATOM 0 H SER A 105 7.374 -2.299 -9.448 1.00 51.41 H new ATOM 0 HA SER A 105 7.937 -4.413 -11.265 1.00 54.42 H new ATOM 0 HB2 SER A 105 9.476 -2.542 -10.722 1.00 74.31 H new ATOM 0 HB3 SER A 105 9.551 -3.068 -9.052 1.00 74.31 H new ATOM 0 HG SER A 105 11.355 -3.809 -10.287 1.00 5.23 H new ATOM 1663 N HIS A 106 7.775 -5.134 -8.053 1.00 31.22 N ATOM 1664 CA HIS A 106 7.681 -6.233 -7.125 1.00 40.15 C ATOM 1665 C HIS A 106 6.432 -7.052 -7.371 1.00 24.53 C ATOM 1666 O HIS A 106 6.455 -8.288 -7.235 1.00 55.24 O ATOM 1667 CB HIS A 106 7.720 -5.758 -5.682 1.00 53.41 C ATOM 1668 CG HIS A 106 7.669 -6.895 -4.728 1.00 54.12 C ATOM 1669 ND1 HIS A 106 6.669 -7.076 -3.823 1.00 32.33 N ATOM 1670 CD2 HIS A 106 8.505 -7.916 -4.567 1.00 3.14 C ATOM 1671 CE1 HIS A 106 6.888 -8.145 -3.125 1.00 72.03 C ATOM 1672 NE2 HIS A 106 8.007 -8.689 -3.546 1.00 43.43 N ATOM 0 H HIS A 106 7.681 -4.211 -7.630 1.00 31.22 H new ATOM 0 HA HIS A 106 8.552 -6.866 -7.295 1.00 40.15 H new ATOM 0 HB2 HIS A 106 8.630 -5.182 -5.513 1.00 53.41 H new ATOM 0 HB3 HIS A 106 6.880 -5.089 -5.496 1.00 53.41 H new ATOM 0 HD1 HIS A 106 5.864 -6.460 -3.711 1.00 32.33 H new ATOM 0 HD2 HIS A 106 9.406 -8.103 -5.132 1.00 3.14 H new ATOM 0 HE1 HIS A 106 6.259 -8.524 -2.333 1.00 72.03 H new ATOM 1681 N CYS A 107 5.358 -6.390 -7.715 1.00 64.31 N ATOM 1682 CA CYS A 107 4.130 -7.071 -8.017 1.00 32.35 C ATOM 1683 C CYS A 107 4.302 -8.002 -9.207 1.00 71.15 C ATOM 1684 O CYS A 107 3.768 -9.091 -9.213 1.00 40.53 O ATOM 1685 CB CYS A 107 2.996 -6.088 -8.227 1.00 12.22 C ATOM 1686 SG CYS A 107 2.575 -5.148 -6.746 1.00 35.01 S ATOM 0 H CYS A 107 5.311 -5.374 -7.793 1.00 64.31 H new ATOM 0 HA CYS A 107 3.865 -7.688 -7.158 1.00 32.35 H new ATOM 0 HB2 CYS A 107 3.269 -5.395 -9.022 1.00 12.22 H new ATOM 0 HB3 CYS A 107 2.114 -6.630 -8.566 1.00 12.22 H new ATOM 0 HG CYS A 107 3.503 -4.268 -6.512 1.00 35.01 H new ATOM 1692 N LEU A 108 5.098 -7.586 -10.178 1.00 73.05 N ATOM 1693 CA LEU A 108 5.391 -8.402 -11.348 1.00 11.14 C ATOM 1694 C LEU A 108 6.111 -9.674 -10.957 1.00 1.13 C ATOM 1695 O LEU A 108 5.811 -10.756 -11.470 1.00 44.02 O ATOM 1696 CB LEU A 108 6.261 -7.632 -12.318 1.00 21.43 C ATOM 1697 CG LEU A 108 5.674 -6.355 -12.869 1.00 71.34 C ATOM 1698 CD1 LEU A 108 6.656 -5.697 -13.803 1.00 71.21 C ATOM 1699 CD2 LEU A 108 4.360 -6.637 -13.561 1.00 31.24 C ATOM 0 H LEU A 108 5.559 -6.676 -10.179 1.00 73.05 H new ATOM 0 HA LEU A 108 4.442 -8.657 -11.819 1.00 11.14 H new ATOM 0 HB2 LEU A 108 7.200 -7.391 -11.819 1.00 21.43 H new ATOM 0 HB3 LEU A 108 6.504 -8.287 -13.155 1.00 21.43 H new ATOM 0 HG LEU A 108 5.476 -5.668 -12.047 1.00 71.34 H new ATOM 0 HD11 LEU A 108 6.224 -4.777 -14.196 1.00 71.21 H new ATOM 0 HD12 LEU A 108 7.573 -5.465 -13.262 1.00 71.21 H new ATOM 0 HD13 LEU A 108 6.882 -6.372 -14.628 1.00 71.21 H new ATOM 0 HD21 LEU A 108 3.948 -5.707 -13.953 1.00 31.24 H new ATOM 0 HD22 LEU A 108 4.523 -7.336 -14.381 1.00 31.24 H new ATOM 0 HD23 LEU A 108 3.659 -7.072 -12.848 1.00 31.24 H new ATOM 1711 N LYS A 109 7.040 -9.550 -10.015 1.00 22.00 N ATOM 1712 CA LYS A 109 7.861 -10.685 -9.577 1.00 73.23 C ATOM 1713 C LYS A 109 7.023 -11.728 -8.867 1.00 52.11 C ATOM 1714 O LYS A 109 7.410 -12.888 -8.741 1.00 53.33 O ATOM 1715 CB LYS A 109 8.944 -10.180 -8.646 1.00 54.02 C ATOM 1716 CG LYS A 109 9.773 -9.109 -9.275 1.00 45.45 C ATOM 1717 CD LYS A 109 10.882 -8.633 -8.362 1.00 62.20 C ATOM 1718 CE LYS A 109 11.702 -7.548 -9.033 1.00 12.23 C ATOM 1719 NZ LYS A 109 12.795 -7.060 -8.166 1.00 63.02 N ATOM 0 H LYS A 109 7.247 -8.674 -9.536 1.00 22.00 H new ATOM 0 HA LYS A 109 8.306 -11.153 -10.455 1.00 73.23 H new ATOM 0 HB2 LYS A 109 8.487 -9.795 -7.734 1.00 54.02 H new ATOM 0 HB3 LYS A 109 9.587 -11.011 -8.354 1.00 54.02 H new ATOM 0 HG2 LYS A 109 10.205 -9.484 -10.203 1.00 45.45 H new ATOM 0 HG3 LYS A 109 9.135 -8.266 -9.538 1.00 45.45 H new ATOM 0 HD2 LYS A 109 10.457 -8.252 -7.433 1.00 62.20 H new ATOM 0 HD3 LYS A 109 11.526 -9.471 -8.097 1.00 62.20 H new ATOM 0 HE2 LYS A 109 12.122 -7.934 -9.962 1.00 12.23 H new ATOM 0 HE3 LYS A 109 11.051 -6.715 -9.299 1.00 12.23 H new ATOM 0 HZ1 LYS A 109 13.329 -6.320 -8.664 1.00 63.02 H new ATOM 0 HZ2 LYS A 109 12.394 -6.668 -7.290 1.00 63.02 H new ATOM 0 HZ3 LYS A 109 13.431 -7.849 -7.933 1.00 63.02 H new ATOM 1733 N ASN A 110 5.887 -11.302 -8.412 1.00 3.41 N ATOM 1734 CA ASN A 110 4.981 -12.162 -7.644 1.00 35.45 C ATOM 1735 C ASN A 110 3.660 -12.417 -8.349 1.00 54.33 C ATOM 1736 O ASN A 110 2.810 -13.137 -7.829 1.00 4.40 O ATOM 1737 CB ASN A 110 4.736 -11.562 -6.261 1.00 50.11 C ATOM 1738 CG ASN A 110 5.983 -11.543 -5.416 1.00 14.24 C ATOM 1739 OD1 ASN A 110 6.249 -12.467 -4.663 1.00 2.13 O ATOM 1740 ND2 ASN A 110 6.775 -10.510 -5.554 1.00 52.23 N ATOM 0 H ASN A 110 5.543 -10.352 -8.551 1.00 3.41 H new ATOM 0 HA ASN A 110 5.473 -13.130 -7.546 1.00 35.45 H new ATOM 0 HB2 ASN A 110 4.359 -10.545 -6.370 1.00 50.11 H new ATOM 0 HB3 ASN A 110 3.963 -12.136 -5.750 1.00 50.11 H new ATOM 0 HD21 ASN A 110 7.645 -10.460 -5.024 1.00 52.23 H new ATOM 0 HD22 ASN A 110 6.522 -9.755 -6.192 1.00 52.23 H new ATOM 1747 N GLY A 111 3.486 -11.831 -9.519 1.00 2.33 N ATOM 1748 CA GLY A 111 2.238 -11.991 -10.260 1.00 14.14 C ATOM 1749 C GLY A 111 1.051 -11.334 -9.551 1.00 23.11 C ATOM 1750 O GLY A 111 -0.074 -11.819 -9.630 1.00 71.12 O ATOM 0 H GLY A 111 4.183 -11.244 -9.978 1.00 2.33 H new ATOM 0 HA2 GLY A 111 2.350 -11.557 -11.254 1.00 14.14 H new ATOM 0 HA3 GLY A 111 2.034 -13.053 -10.397 1.00 14.14 H new ATOM 1754 N VAL A 112 1.314 -10.243 -8.861 1.00 52.23 N ATOM 1755 CA VAL A 112 0.294 -9.512 -8.129 1.00 13.14 C ATOM 1756 C VAL A 112 -0.315 -8.460 -9.026 1.00 74.11 C ATOM 1757 O VAL A 112 0.375 -7.565 -9.496 1.00 53.14 O ATOM 1758 CB VAL A 112 0.873 -8.824 -6.854 1.00 41.34 C ATOM 1759 CG1 VAL A 112 -0.186 -7.985 -6.156 1.00 65.10 C ATOM 1760 CG2 VAL A 112 1.424 -9.854 -5.891 1.00 4.23 C ATOM 0 H VAL A 112 2.246 -9.834 -8.790 1.00 52.23 H new ATOM 0 HA VAL A 112 -0.463 -10.229 -7.812 1.00 13.14 H new ATOM 0 HB VAL A 112 1.683 -8.168 -7.174 1.00 41.34 H new ATOM 0 HG11 VAL A 112 0.245 -7.517 -5.271 1.00 65.10 H new ATOM 0 HG12 VAL A 112 -0.545 -7.213 -6.836 1.00 65.10 H new ATOM 0 HG13 VAL A 112 -1.019 -8.623 -5.860 1.00 65.10 H new ATOM 0 HG21 VAL A 112 1.822 -9.352 -5.010 1.00 4.23 H new ATOM 0 HG22 VAL A 112 0.627 -10.535 -5.592 1.00 4.23 H new ATOM 0 HG23 VAL A 112 2.220 -10.418 -6.378 1.00 4.23 H new ATOM 1770 N THR A 113 -1.583 -8.571 -9.265 1.00 31.44 N ATOM 1771 CA THR A 113 -2.274 -7.629 -10.107 1.00 62.03 C ATOM 1772 C THR A 113 -3.395 -6.945 -9.341 1.00 12.32 C ATOM 1773 O THR A 113 -4.255 -6.314 -9.935 1.00 73.35 O ATOM 1774 CB THR A 113 -2.845 -8.318 -11.374 1.00 42.40 C ATOM 1775 OG1 THR A 113 -3.712 -9.395 -10.999 1.00 10.23 O ATOM 1776 CG2 THR A 113 -1.729 -8.851 -12.264 1.00 11.34 C ATOM 0 H THR A 113 -2.173 -9.312 -8.887 1.00 31.44 H new ATOM 0 HA THR A 113 -1.549 -6.878 -10.422 1.00 62.03 H new ATOM 0 HB THR A 113 -3.407 -7.572 -11.935 1.00 42.40 H new ATOM 0 HG1 THR A 113 -4.069 -9.823 -11.805 1.00 10.23 H new ATOM 0 HG21 THR A 113 -2.161 -9.328 -13.143 1.00 11.34 H new ATOM 0 HG22 THR A 113 -1.088 -8.027 -12.577 1.00 11.34 H new ATOM 0 HG23 THR A 113 -1.138 -9.580 -11.709 1.00 11.34 H new ATOM 1784 N ASP A 114 -3.366 -7.045 -8.019 1.00 20.02 N ATOM 1785 CA ASP A 114 -4.396 -6.411 -7.197 1.00 51.44 C ATOM 1786 C ASP A 114 -3.744 -5.673 -6.032 1.00 54.31 C ATOM 1787 O ASP A 114 -3.015 -6.274 -5.233 1.00 0.42 O ATOM 1788 CB ASP A 114 -5.403 -7.443 -6.657 1.00 43.24 C ATOM 1789 CG ASP A 114 -6.060 -8.290 -7.731 1.00 32.22 C ATOM 1790 OD1 ASP A 114 -7.011 -7.817 -8.394 1.00 61.14 O ATOM 1791 OD2 ASP A 114 -5.615 -9.456 -7.932 1.00 74.14 O ATOM 0 H ASP A 114 -2.652 -7.551 -7.495 1.00 20.02 H new ATOM 0 HA ASP A 114 -4.940 -5.706 -7.825 1.00 51.44 H new ATOM 0 HB2 ASP A 114 -4.891 -8.100 -5.954 1.00 43.24 H new ATOM 0 HB3 ASP A 114 -6.178 -6.920 -6.098 1.00 43.24 H new ATOM 1796 N LEU A 115 -4.011 -4.394 -5.946 1.00 53.31 N ATOM 1797 CA LEU A 115 -3.442 -3.490 -4.948 1.00 73.43 C ATOM 1798 C LEU A 115 -4.484 -2.554 -4.403 1.00 25.52 C ATOM 1799 O LEU A 115 -5.378 -2.152 -5.117 1.00 44.11 O ATOM 1800 CB LEU A 115 -2.292 -2.673 -5.562 1.00 63.52 C ATOM 1801 CG LEU A 115 -0.968 -3.395 -5.707 1.00 72.24 C ATOM 1802 CD1 LEU A 115 -0.025 -2.560 -6.547 1.00 63.21 C ATOM 1803 CD2 LEU A 115 -0.342 -3.596 -4.338 1.00 53.43 C ATOM 0 H LEU A 115 -4.652 -3.926 -6.587 1.00 53.31 H new ATOM 0 HA LEU A 115 -3.060 -4.100 -4.129 1.00 73.43 H new ATOM 0 HB2 LEU A 115 -2.604 -2.327 -6.547 1.00 63.52 H new ATOM 0 HB3 LEU A 115 -2.134 -1.786 -4.948 1.00 63.52 H new ATOM 0 HG LEU A 115 -1.142 -4.360 -6.183 1.00 72.24 H new ATOM 0 HD11 LEU A 115 0.927 -3.080 -6.651 1.00 63.21 H new ATOM 0 HD12 LEU A 115 -0.461 -2.400 -7.533 1.00 63.21 H new ATOM 0 HD13 LEU A 115 0.138 -1.597 -6.062 1.00 63.21 H new ATOM 0 HD21 LEU A 115 0.610 -4.116 -4.446 1.00 53.43 H new ATOM 0 HD22 LEU A 115 -0.175 -2.627 -3.868 1.00 53.43 H new ATOM 0 HD23 LEU A 115 -1.011 -4.190 -3.716 1.00 53.43 H new ATOM 1815 N SER A 116 -4.367 -2.226 -3.140 1.00 52.54 N ATOM 1816 CA SER A 116 -5.241 -1.303 -2.500 1.00 50.34 C ATOM 1817 C SER A 116 -4.442 -0.408 -1.575 1.00 30.41 C ATOM 1818 O SER A 116 -3.510 -0.861 -0.909 1.00 70.45 O ATOM 1819 CB SER A 116 -6.348 -2.039 -1.752 1.00 4.44 C ATOM 1820 OG SER A 116 -7.131 -2.805 -2.660 1.00 21.15 O ATOM 0 H SER A 116 -3.646 -2.605 -2.526 1.00 52.54 H new ATOM 0 HA SER A 116 -5.722 -0.678 -3.253 1.00 50.34 H new ATOM 0 HB2 SER A 116 -5.913 -2.692 -0.995 1.00 4.44 H new ATOM 0 HB3 SER A 116 -6.982 -1.323 -1.229 1.00 4.44 H new ATOM 0 HG SER A 116 -7.833 -3.279 -2.167 1.00 21.15 H new ATOM 1826 N MET A 117 -4.777 0.846 -1.550 1.00 10.43 N ATOM 1827 CA MET A 117 -4.053 1.811 -0.758 1.00 73.31 C ATOM 1828 C MET A 117 -5.011 2.913 -0.334 1.00 73.13 C ATOM 1829 O MET A 117 -6.091 3.037 -0.912 1.00 43.02 O ATOM 1830 CB MET A 117 -2.859 2.370 -1.579 1.00 45.35 C ATOM 1831 CG MET A 117 -3.259 3.139 -2.835 1.00 71.21 C ATOM 1832 SD MET A 117 -1.858 3.573 -3.880 1.00 74.22 S ATOM 1833 CE MET A 117 -1.242 1.952 -4.329 1.00 72.51 C ATOM 0 H MET A 117 -5.559 1.236 -2.076 1.00 10.43 H new ATOM 0 HA MET A 117 -3.645 1.344 0.139 1.00 73.31 H new ATOM 0 HB2 MET A 117 -2.270 3.026 -0.939 1.00 45.35 H new ATOM 0 HB3 MET A 117 -2.212 1.541 -1.866 1.00 45.35 H new ATOM 0 HG2 MET A 117 -3.962 2.538 -3.412 1.00 71.21 H new ATOM 0 HG3 MET A 117 -3.782 4.050 -2.544 1.00 71.21 H new ATOM 0 HE1 MET A 117 -0.342 1.733 -3.755 1.00 72.51 H new ATOM 0 HE2 MET A 117 -2.002 1.201 -4.112 1.00 72.51 H new ATOM 0 HE3 MET A 117 -1.007 1.934 -5.393 1.00 72.51 H new ATOM 1843 N PRO A 118 -4.669 3.700 0.696 1.00 4.14 N ATOM 1844 CA PRO A 118 -5.525 4.782 1.167 1.00 52.15 C ATOM 1845 C PRO A 118 -5.391 6.023 0.283 1.00 41.21 C ATOM 1846 O PRO A 118 -4.805 5.977 -0.812 1.00 75.35 O ATOM 1847 CB PRO A 118 -4.958 5.065 2.560 1.00 72.13 C ATOM 1848 CG PRO A 118 -3.508 4.789 2.406 1.00 73.43 C ATOM 1849 CD PRO A 118 -3.425 3.604 1.495 1.00 2.12 C ATOM 0 HA PRO A 118 -6.584 4.525 1.158 1.00 52.15 H new ATOM 0 HB2 PRO A 118 -5.140 6.095 2.866 1.00 72.13 H new ATOM 0 HB3 PRO A 118 -5.411 4.423 3.316 1.00 72.13 H new ATOM 0 HG2 PRO A 118 -2.987 5.648 1.982 1.00 73.43 H new ATOM 0 HG3 PRO A 118 -3.044 4.578 3.369 1.00 73.43 H new ATOM 0 HD2 PRO A 118 -2.537 3.644 0.864 1.00 2.12 H new ATOM 0 HD3 PRO A 118 -3.377 2.669 2.054 1.00 2.12 H new ATOM 1857 N ARG A 119 -5.917 7.131 0.755 1.00 14.34 N ATOM 1858 CA ARG A 119 -5.818 8.375 0.037 1.00 53.51 C ATOM 1859 C ARG A 119 -4.403 8.947 0.279 1.00 12.21 C ATOM 1860 O ARG A 119 -4.187 9.756 1.169 1.00 53.12 O ATOM 1861 CB ARG A 119 -6.907 9.343 0.528 1.00 23.15 C ATOM 1862 CG ARG A 119 -7.139 10.573 -0.331 1.00 63.12 C ATOM 1863 CD ARG A 119 -7.724 10.205 -1.690 1.00 21.35 C ATOM 1864 NE ARG A 119 -8.082 11.391 -2.462 1.00 12.34 N ATOM 1865 CZ ARG A 119 -8.979 11.435 -3.465 1.00 43.20 C ATOM 1866 NH1 ARG A 119 -9.608 10.325 -3.874 1.00 30.41 N ATOM 1867 NH2 ARG A 119 -9.249 12.593 -4.045 1.00 75.34 N ATOM 0 H ARG A 119 -6.421 7.192 1.640 1.00 14.34 H new ATOM 0 HA ARG A 119 -5.970 8.226 -1.032 1.00 53.51 H new ATOM 0 HB2 ARG A 119 -7.846 8.794 0.604 1.00 23.15 H new ATOM 0 HB3 ARG A 119 -6.647 9.671 1.535 1.00 23.15 H new ATOM 0 HG2 ARG A 119 -7.815 11.255 0.184 1.00 63.12 H new ATOM 0 HG3 ARG A 119 -6.197 11.103 -0.471 1.00 63.12 H new ATOM 0 HD2 ARG A 119 -7.001 9.611 -2.249 1.00 21.35 H new ATOM 0 HD3 ARG A 119 -8.607 9.582 -1.550 1.00 21.35 H new ATOM 0 HE ARG A 119 -7.611 12.263 -2.220 1.00 12.34 H new ATOM 0 HH11 ARG A 119 -9.410 9.431 -3.424 1.00 30.41 H new ATOM 0 HH12 ARG A 119 -10.285 10.374 -4.635 1.00 30.41 H new ATOM 0 HH21 ARG A 119 -8.779 13.442 -3.731 1.00 75.34 H new ATOM 0 HH22 ARG A 119 -9.927 12.637 -4.806 1.00 75.34 H new ATOM 1980 N LEU A 127 1.047 18.508 -3.046 1.00 40.22 N ATOM 1981 CA LEU A 127 0.686 17.802 -4.236 1.00 55.03 C ATOM 1982 C LEU A 127 -0.781 17.482 -4.218 1.00 20.12 C ATOM 1983 O LEU A 127 -1.387 17.416 -3.154 1.00 41.44 O ATOM 1984 CB LEU A 127 1.544 16.534 -4.495 1.00 75.34 C ATOM 1985 CG LEU A 127 1.629 15.461 -3.413 1.00 23.14 C ATOM 1986 CD1 LEU A 127 2.284 14.223 -3.995 1.00 4.32 C ATOM 1987 CD2 LEU A 127 2.480 15.958 -2.278 1.00 60.43 C ATOM 0 HA LEU A 127 0.899 18.465 -5.074 1.00 55.03 H new ATOM 0 HB2 LEU A 127 1.164 16.059 -5.399 1.00 75.34 H new ATOM 0 HB3 LEU A 127 2.560 16.864 -4.711 1.00 75.34 H new ATOM 0 HG LEU A 127 0.626 15.230 -3.054 1.00 23.14 H new ATOM 0 HD11 LEU A 127 2.349 13.451 -3.228 1.00 4.32 H new ATOM 0 HD12 LEU A 127 1.689 13.855 -4.831 1.00 4.32 H new ATOM 0 HD13 LEU A 127 3.286 14.472 -4.345 1.00 4.32 H new ATOM 0 HD21 LEU A 127 2.540 15.191 -1.506 1.00 60.43 H new ATOM 0 HD22 LEU A 127 3.481 16.183 -2.645 1.00 60.43 H new ATOM 0 HD23 LEU A 127 2.036 16.861 -1.859 1.00 60.43 H new ATOM 1999 N GLN A 128 -1.354 17.304 -5.381 1.00 13.33 N ATOM 2000 CA GLN A 128 -2.779 17.047 -5.483 1.00 14.42 C ATOM 2001 C GLN A 128 -3.017 15.671 -6.013 1.00 24.35 C ATOM 2002 O GLN A 128 -2.255 15.197 -6.874 1.00 74.04 O ATOM 2003 CB GLN A 128 -3.452 18.049 -6.412 1.00 24.44 C ATOM 2004 CG GLN A 128 -3.265 19.487 -6.014 1.00 24.11 C ATOM 2005 CD GLN A 128 -3.827 19.808 -4.630 1.00 43.32 C ATOM 2006 OE1 GLN A 128 -4.809 19.200 -4.179 1.00 54.33 O ATOM 2007 NE2 GLN A 128 -3.211 20.740 -3.952 1.00 32.01 N ATOM 0 H GLN A 128 -0.861 17.331 -6.274 1.00 13.33 H new ATOM 0 HA GLN A 128 -3.204 17.143 -4.484 1.00 14.42 H new ATOM 0 HB2 GLN A 128 -3.062 17.910 -7.420 1.00 24.44 H new ATOM 0 HB3 GLN A 128 -4.519 17.831 -6.450 1.00 24.44 H new ATOM 0 HG2 GLN A 128 -2.202 19.726 -6.031 1.00 24.11 H new ATOM 0 HG3 GLN A 128 -3.748 20.127 -6.752 1.00 24.11 H new ATOM 0 HE21 GLN A 128 -2.406 21.218 -4.357 1.00 32.01 H new ATOM 0 HE22 GLN A 128 -3.535 20.989 -3.018 1.00 32.01 H new ATOM 2016 N TRP A 129 -4.087 15.046 -5.543 1.00 74.14 N ATOM 2017 CA TRP A 129 -4.454 13.699 -5.952 1.00 10.22 C ATOM 2018 C TRP A 129 -4.582 13.574 -7.475 1.00 52.51 C ATOM 2019 O TRP A 129 -4.244 12.536 -8.049 1.00 24.23 O ATOM 2020 CB TRP A 129 -5.754 13.243 -5.274 1.00 24.32 C ATOM 2021 CG TRP A 129 -6.117 11.853 -5.673 1.00 63.14 C ATOM 2022 CD1 TRP A 129 -6.999 11.473 -6.638 1.00 4.12 C ATOM 2023 CD2 TRP A 129 -5.565 10.659 -5.138 1.00 41.42 C ATOM 2024 NE1 TRP A 129 -7.019 10.116 -6.736 1.00 4.03 N ATOM 2025 CE2 TRP A 129 -6.148 9.587 -5.819 1.00 21.23 C ATOM 2026 CE3 TRP A 129 -4.634 10.399 -4.148 1.00 15.44 C ATOM 2027 CZ2 TRP A 129 -5.819 8.263 -5.537 1.00 52.11 C ATOM 2028 CZ3 TRP A 129 -4.314 9.098 -3.866 1.00 1.52 C ATOM 2029 CH2 TRP A 129 -4.900 8.043 -4.557 1.00 24.01 C ATOM 0 H TRP A 129 -4.727 15.461 -4.865 1.00 74.14 H new ATOM 0 HA TRP A 129 -3.644 13.045 -5.629 1.00 10.22 H new ATOM 0 HB2 TRP A 129 -5.639 13.294 -4.191 1.00 24.32 H new ATOM 0 HB3 TRP A 129 -6.563 13.923 -5.541 1.00 24.32 H new ATOM 0 HD1 TRP A 129 -7.594 12.148 -7.236 1.00 4.12 H new ATOM 0 HE1 TRP A 129 -7.591 9.578 -7.388 1.00 4.03 H new ATOM 0 HE3 TRP A 129 -4.168 11.209 -3.607 1.00 15.44 H new ATOM 0 HZ2 TRP A 129 -6.275 7.444 -6.074 1.00 52.11 H new ATOM 0 HZ3 TRP A 129 -3.592 8.887 -3.091 1.00 1.52 H new ATOM 0 HH2 TRP A 129 -4.621 7.029 -4.311 1.00 24.01 H new ATOM 2040 N GLU A 130 -5.070 14.621 -8.111 1.00 31.24 N ATOM 2041 CA GLU A 130 -5.213 14.665 -9.562 1.00 70.41 C ATOM 2042 C GLU A 130 -3.884 14.336 -10.244 1.00 72.23 C ATOM 2043 O GLU A 130 -3.815 13.457 -11.102 1.00 54.44 O ATOM 2044 CB GLU A 130 -5.677 16.046 -9.986 1.00 20.50 C ATOM 2045 CG GLU A 130 -5.827 16.222 -11.480 1.00 13.21 C ATOM 2046 CD GLU A 130 -6.208 17.621 -11.834 1.00 64.31 C ATOM 2047 OE1 GLU A 130 -7.420 17.920 -11.880 1.00 64.23 O ATOM 2048 OE2 GLU A 130 -5.298 18.456 -12.053 1.00 31.30 O ATOM 0 H GLU A 130 -5.381 15.470 -7.639 1.00 31.24 H new ATOM 0 HA GLU A 130 -5.952 13.922 -9.863 1.00 70.41 H new ATOM 0 HB2 GLU A 130 -6.634 16.257 -9.509 1.00 20.50 H new ATOM 0 HB3 GLU A 130 -4.967 16.785 -9.615 1.00 20.50 H new ATOM 0 HG2 GLU A 130 -4.890 15.964 -11.973 1.00 13.21 H new ATOM 0 HG3 GLU A 130 -6.584 15.533 -11.854 1.00 13.21 H new ATOM 2055 N ASN A 131 -2.835 15.022 -9.829 1.00 21.55 N ATOM 2056 CA ASN A 131 -1.520 14.805 -10.415 1.00 32.42 C ATOM 2057 C ASN A 131 -0.987 13.438 -10.006 1.00 15.45 C ATOM 2058 O ASN A 131 -0.378 12.730 -10.811 1.00 73.43 O ATOM 2059 CB ASN A 131 -0.532 15.892 -9.982 1.00 53.52 C ATOM 2060 CG ASN A 131 -0.991 17.296 -10.305 1.00 55.23 C ATOM 2061 OD1 ASN A 131 -1.606 17.939 -9.348 1.00 50.45 O flip ATOM 2062 ND2 ASN A 131 -0.752 17.812 -11.393 1.00 32.52 N flip ATOM 0 H ASN A 131 -2.864 15.729 -9.095 1.00 21.55 H new ATOM 0 HA ASN A 131 -1.624 14.849 -11.499 1.00 32.42 H new ATOM 0 HB2 ASN A 131 -0.366 15.812 -8.908 1.00 53.52 H new ATOM 0 HB3 ASN A 131 0.427 15.712 -10.467 1.00 53.52 H new ATOM 0 HD21 ASN A 131 -0.270 17.278 -12.116 1.00 32.52 H new ATOM 0 HD22 ASN A 131 -1.036 18.775 -11.574 1.00 32.52 H new ATOM 2069 N VAL A 132 -1.247 13.068 -8.748 1.00 15.03 N ATOM 2070 CA VAL A 132 -0.810 11.783 -8.199 1.00 50.10 C ATOM 2071 C VAL A 132 -1.390 10.614 -8.996 1.00 55.44 C ATOM 2072 O VAL A 132 -0.647 9.769 -9.480 1.00 11.30 O ATOM 2073 CB VAL A 132 -1.210 11.640 -6.697 1.00 43.32 C ATOM 2074 CG1 VAL A 132 -0.820 10.274 -6.151 1.00 64.12 C ATOM 2075 CG2 VAL A 132 -0.559 12.730 -5.870 1.00 4.41 C ATOM 0 H VAL A 132 -1.763 13.648 -8.086 1.00 15.03 H new ATOM 0 HA VAL A 132 0.277 11.758 -8.276 1.00 50.10 H new ATOM 0 HB VAL A 132 -2.293 11.740 -6.631 1.00 43.32 H new ATOM 0 HG11 VAL A 132 -1.111 10.204 -5.103 1.00 64.12 H new ATOM 0 HG12 VAL A 132 -1.327 9.496 -6.721 1.00 64.12 H new ATOM 0 HG13 VAL A 132 0.259 10.142 -6.237 1.00 64.12 H new ATOM 0 HG21 VAL A 132 -0.848 12.616 -4.825 1.00 4.41 H new ATOM 0 HG22 VAL A 132 0.525 12.654 -5.957 1.00 4.41 H new ATOM 0 HG23 VAL A 132 -0.885 13.705 -6.232 1.00 4.41 H new ATOM 2085 N SER A 133 -2.705 10.592 -9.141 1.00 73.13 N ATOM 2086 CA SER A 133 -3.398 9.546 -9.856 1.00 4.31 C ATOM 2087 C SER A 133 -2.885 9.387 -11.287 1.00 51.11 C ATOM 2088 O SER A 133 -2.614 8.270 -11.720 1.00 64.03 O ATOM 2089 CB SER A 133 -4.916 9.780 -9.806 1.00 33.33 C ATOM 2090 OG SER A 133 -5.257 11.091 -10.240 1.00 24.35 O ATOM 0 H SER A 133 -3.322 11.309 -8.760 1.00 73.13 H new ATOM 0 HA SER A 133 -3.187 8.601 -9.356 1.00 4.31 H new ATOM 0 HB2 SER A 133 -5.419 9.045 -10.435 1.00 33.33 H new ATOM 0 HB3 SER A 133 -5.275 9.628 -8.788 1.00 33.33 H new ATOM 0 HG SER A 133 -5.039 11.736 -9.535 1.00 24.35 H new ATOM 2096 N ALA A 134 -2.710 10.508 -11.990 1.00 13.52 N ATOM 2097 CA ALA A 134 -2.207 10.491 -13.363 1.00 71.31 C ATOM 2098 C ALA A 134 -0.830 9.841 -13.425 1.00 0.23 C ATOM 2099 O ALA A 134 -0.576 8.983 -14.271 1.00 42.23 O ATOM 2100 CB ALA A 134 -2.160 11.901 -13.928 1.00 43.21 C ATOM 0 H ALA A 134 -2.910 11.441 -11.629 1.00 13.52 H new ATOM 0 HA ALA A 134 -2.890 9.898 -13.972 1.00 71.31 H new ATOM 0 HB1 ALA A 134 -1.783 11.871 -14.950 1.00 43.21 H new ATOM 0 HB2 ALA A 134 -3.163 12.329 -13.923 1.00 43.21 H new ATOM 0 HB3 ALA A 134 -1.500 12.516 -13.316 1.00 43.21 H new ATOM 2106 N MET A 135 0.035 10.249 -12.516 1.00 42.40 N ATOM 2107 CA MET A 135 1.385 9.718 -12.390 1.00 32.53 C ATOM 2108 C MET A 135 1.376 8.221 -12.053 1.00 55.42 C ATOM 2109 O MET A 135 2.185 7.455 -12.585 1.00 1.22 O ATOM 2110 CB MET A 135 2.150 10.508 -11.336 1.00 24.20 C ATOM 2111 CG MET A 135 3.571 10.042 -11.110 1.00 70.11 C ATOM 2112 SD MET A 135 4.455 11.108 -9.965 1.00 75.12 S ATOM 2113 CE MET A 135 3.457 10.947 -8.490 1.00 71.33 C ATOM 0 H MET A 135 -0.182 10.972 -11.830 1.00 42.40 H new ATOM 0 HA MET A 135 1.887 9.826 -13.352 1.00 32.53 H new ATOM 0 HB2 MET A 135 2.168 11.558 -11.629 1.00 24.20 H new ATOM 0 HB3 MET A 135 1.608 10.450 -10.392 1.00 24.20 H new ATOM 0 HG2 MET A 135 3.561 9.023 -10.723 1.00 70.11 H new ATOM 0 HG3 MET A 135 4.100 10.016 -12.063 1.00 70.11 H new ATOM 0 HE1 MET A 135 3.998 11.359 -7.638 1.00 71.33 H new ATOM 0 HE2 MET A 135 2.521 11.490 -8.623 1.00 71.33 H new ATOM 0 HE3 MET A 135 3.243 9.894 -8.309 1.00 71.33 H new ATOM 2123 N ILE A 136 0.458 7.807 -11.185 1.00 1.55 N ATOM 2124 CA ILE A 136 0.306 6.391 -10.842 1.00 52.41 C ATOM 2125 C ILE A 136 -0.060 5.605 -12.098 1.00 1.23 C ATOM 2126 O ILE A 136 0.492 4.529 -12.365 1.00 22.54 O ATOM 2127 CB ILE A 136 -0.778 6.176 -9.741 1.00 61.12 C ATOM 2128 CG1 ILE A 136 -0.345 6.849 -8.431 1.00 44.42 C ATOM 2129 CG2 ILE A 136 -1.063 4.688 -9.520 1.00 23.20 C ATOM 2130 CD1 ILE A 136 -1.359 6.741 -7.310 1.00 73.32 C ATOM 0 H ILE A 136 -0.193 8.429 -10.705 1.00 1.55 H new ATOM 0 HA ILE A 136 1.254 6.033 -10.441 1.00 52.41 H new ATOM 0 HB ILE A 136 -1.704 6.639 -10.083 1.00 61.12 H new ATOM 0 HG12 ILE A 136 0.594 6.404 -8.100 1.00 44.42 H new ATOM 0 HG13 ILE A 136 -0.147 7.903 -8.626 1.00 44.42 H new ATOM 0 HG21 ILE A 136 -1.823 4.574 -8.747 1.00 23.20 H new ATOM 0 HG22 ILE A 136 -1.421 4.244 -10.449 1.00 23.20 H new ATOM 0 HG23 ILE A 136 -0.148 4.185 -9.207 1.00 23.20 H new ATOM 0 HD11 ILE A 136 -0.974 7.242 -6.422 1.00 73.32 H new ATOM 0 HD12 ILE A 136 -2.293 7.213 -7.617 1.00 73.32 H new ATOM 0 HD13 ILE A 136 -1.541 5.690 -7.084 1.00 73.32 H new ATOM 2142 N GLU A 137 -0.957 6.175 -12.880 1.00 20.31 N ATOM 2143 CA GLU A 137 -1.383 5.579 -14.123 1.00 41.50 C ATOM 2144 C GLU A 137 -0.239 5.571 -15.143 1.00 42.12 C ATOM 2145 O GLU A 137 -0.170 4.690 -15.977 1.00 3.22 O ATOM 2146 CB GLU A 137 -2.612 6.290 -14.674 1.00 61.12 C ATOM 2147 CG GLU A 137 -3.805 6.262 -13.740 1.00 61.40 C ATOM 2148 CD GLU A 137 -5.007 6.960 -14.314 1.00 62.44 C ATOM 2149 OE1 GLU A 137 -5.002 8.199 -14.413 1.00 11.00 O ATOM 2150 OE2 GLU A 137 -5.976 6.284 -14.692 1.00 23.14 O ATOM 0 H GLU A 137 -1.409 7.065 -12.668 1.00 20.31 H new ATOM 0 HA GLU A 137 -1.661 4.543 -13.927 1.00 41.50 H new ATOM 0 HB2 GLU A 137 -2.355 7.327 -14.888 1.00 61.12 H new ATOM 0 HB3 GLU A 137 -2.893 5.829 -15.621 1.00 61.12 H new ATOM 0 HG2 GLU A 137 -4.063 5.227 -13.517 1.00 61.40 H new ATOM 0 HG3 GLU A 137 -3.533 6.733 -12.795 1.00 61.40 H new ATOM 2157 N GLU A 138 0.659 6.564 -15.063 1.00 51.42 N ATOM 2158 CA GLU A 138 1.840 6.604 -15.933 1.00 21.52 C ATOM 2159 C GLU A 138 2.747 5.415 -15.630 1.00 11.50 C ATOM 2160 O GLU A 138 3.186 4.698 -16.540 1.00 14.55 O ATOM 2161 CB GLU A 138 2.662 7.902 -15.761 1.00 24.00 C ATOM 2162 CG GLU A 138 1.947 9.204 -16.101 1.00 3.32 C ATOM 2163 CD GLU A 138 2.898 10.387 -16.055 1.00 61.25 C ATOM 2164 OE1 GLU A 138 3.743 10.524 -16.976 1.00 62.13 O ATOM 2165 OE2 GLU A 138 2.826 11.197 -15.105 1.00 54.25 O ATOM 0 H GLU A 138 0.590 7.344 -14.409 1.00 51.42 H new ATOM 0 HA GLU A 138 1.475 6.566 -16.959 1.00 21.52 H new ATOM 0 HB2 GLU A 138 3.001 7.958 -14.727 1.00 24.00 H new ATOM 0 HB3 GLU A 138 3.553 7.828 -16.385 1.00 24.00 H new ATOM 0 HG2 GLU A 138 1.505 9.129 -17.094 1.00 3.32 H new ATOM 0 HG3 GLU A 138 1.129 9.366 -15.399 1.00 3.32 H new ATOM 2172 N VAL A 139 3.021 5.213 -14.347 1.00 15.44 N ATOM 2173 CA VAL A 139 3.873 4.120 -13.888 1.00 72.02 C ATOM 2174 C VAL A 139 3.252 2.757 -14.225 1.00 54.11 C ATOM 2175 O VAL A 139 3.880 1.916 -14.870 1.00 54.34 O ATOM 2176 CB VAL A 139 4.141 4.210 -12.352 1.00 52.31 C ATOM 2177 CG1 VAL A 139 4.918 2.994 -11.869 1.00 10.00 C ATOM 2178 CG2 VAL A 139 4.906 5.493 -12.010 1.00 53.14 C ATOM 0 H VAL A 139 2.660 5.801 -13.595 1.00 15.44 H new ATOM 0 HA VAL A 139 4.824 4.215 -14.412 1.00 72.02 H new ATOM 0 HB VAL A 139 3.177 4.232 -11.843 1.00 52.31 H new ATOM 0 HG11 VAL A 139 5.094 3.077 -10.796 1.00 10.00 H new ATOM 0 HG12 VAL A 139 4.344 2.090 -12.074 1.00 10.00 H new ATOM 0 HG13 VAL A 139 5.874 2.942 -12.390 1.00 10.00 H new ATOM 0 HG21 VAL A 139 5.082 5.536 -10.935 1.00 53.14 H new ATOM 0 HG22 VAL A 139 5.861 5.498 -12.535 1.00 53.14 H new ATOM 0 HG23 VAL A 139 4.319 6.359 -12.316 1.00 53.14 H new ATOM 2188 N PHE A 140 2.024 2.573 -13.817 1.00 73.01 N ATOM 2189 CA PHE A 140 1.302 1.326 -14.012 1.00 25.30 C ATOM 2190 C PHE A 140 0.848 1.041 -15.430 1.00 10.11 C ATOM 2191 O PHE A 140 0.430 -0.070 -15.702 1.00 3.54 O ATOM 2192 CB PHE A 140 0.154 1.152 -13.036 1.00 65.00 C ATOM 2193 CG PHE A 140 0.560 0.659 -11.682 1.00 22.04 C ATOM 2194 CD1 PHE A 140 0.593 -0.700 -11.431 1.00 70.52 C ATOM 2195 CD2 PHE A 140 0.877 1.526 -10.654 1.00 14.05 C ATOM 2196 CE1 PHE A 140 0.919 -1.183 -10.204 1.00 13.24 C ATOM 2197 CE2 PHE A 140 1.218 1.026 -9.408 1.00 42.22 C ATOM 2198 CZ PHE A 140 1.231 -0.341 -9.200 1.00 12.15 C ATOM 0 H PHE A 140 1.483 3.289 -13.333 1.00 73.01 H new ATOM 0 HA PHE A 140 2.061 0.574 -13.798 1.00 25.30 H new ATOM 0 HB2 PHE A 140 -0.358 2.108 -12.922 1.00 65.00 H new ATOM 0 HB3 PHE A 140 -0.566 0.454 -13.462 1.00 65.00 H new ATOM 0 HD1 PHE A 140 0.355 -1.391 -12.226 1.00 70.52 H new ATOM 0 HD2 PHE A 140 0.859 2.593 -10.822 1.00 14.05 H new ATOM 0 HE1 PHE A 140 0.928 -2.249 -10.032 1.00 13.24 H new ATOM 0 HE2 PHE A 140 1.472 1.700 -8.603 1.00 42.22 H new ATOM 0 HZ PHE A 140 1.492 -0.735 -8.229 1.00 12.15 H new ATOM 2208 N GLU A 141 0.883 2.030 -16.298 1.00 33.24 N ATOM 2209 CA GLU A 141 0.399 1.916 -17.675 1.00 2.02 C ATOM 2210 C GLU A 141 0.899 0.645 -18.404 1.00 72.34 C ATOM 2211 O GLU A 141 0.126 -0.041 -19.067 1.00 34.20 O ATOM 2212 CB GLU A 141 0.789 3.159 -18.453 1.00 31.14 C ATOM 2213 CG GLU A 141 0.195 3.231 -19.821 1.00 53.12 C ATOM 2214 CD GLU A 141 0.666 4.427 -20.578 1.00 75.50 C ATOM 2215 OE1 GLU A 141 0.038 5.501 -20.485 1.00 24.24 O ATOM 2216 OE2 GLU A 141 1.686 4.320 -21.287 1.00 45.33 O ATOM 0 H GLU A 141 1.252 2.954 -16.072 1.00 33.24 H new ATOM 0 HA GLU A 141 -0.686 1.825 -17.624 1.00 2.02 H new ATOM 0 HB2 GLU A 141 0.483 4.040 -17.888 1.00 31.14 H new ATOM 0 HB3 GLU A 141 1.875 3.196 -18.537 1.00 31.14 H new ATOM 0 HG2 GLU A 141 0.452 2.328 -20.375 1.00 53.12 H new ATOM 0 HG3 GLU A 141 -0.892 3.258 -19.742 1.00 53.12 H new ATOM 2223 N ALA A 142 2.166 0.337 -18.253 1.00 4.43 N ATOM 2224 CA ALA A 142 2.763 -0.830 -18.917 1.00 60.10 C ATOM 2225 C ALA A 142 2.364 -2.140 -18.248 1.00 10.04 C ATOM 2226 O ALA A 142 2.421 -3.217 -18.860 1.00 31.32 O ATOM 2227 CB ALA A 142 4.271 -0.702 -18.980 1.00 71.13 C ATOM 0 H ALA A 142 2.816 0.872 -17.677 1.00 4.43 H new ATOM 0 HA ALA A 142 2.371 -0.853 -19.934 1.00 60.10 H new ATOM 0 HB1 ALA A 142 4.690 -1.578 -19.476 1.00 71.13 H new ATOM 0 HB2 ALA A 142 4.537 0.194 -19.540 1.00 71.13 H new ATOM 0 HB3 ALA A 142 4.673 -0.630 -17.969 1.00 71.13 H new ATOM 2233 N THR A 143 1.952 -2.056 -17.017 1.00 70.40 N ATOM 2234 CA THR A 143 1.543 -3.216 -16.273 1.00 64.45 C ATOM 2235 C THR A 143 0.013 -3.294 -16.276 1.00 51.03 C ATOM 2236 O THR A 143 -0.652 -2.428 -16.845 1.00 12.13 O ATOM 2237 CB THR A 143 2.058 -3.139 -14.808 1.00 2.20 C ATOM 2238 OG1 THR A 143 1.525 -1.979 -14.171 1.00 52.14 O ATOM 2239 CG2 THR A 143 3.577 -3.057 -14.764 1.00 41.03 C ATOM 0 H THR A 143 1.889 -1.180 -16.498 1.00 70.40 H new ATOM 0 HA THR A 143 1.966 -4.106 -16.740 1.00 64.45 H new ATOM 0 HB THR A 143 1.734 -4.043 -14.292 1.00 2.20 H new ATOM 0 HG1 THR A 143 1.063 -1.425 -14.834 1.00 52.14 H new ATOM 0 HG21 THR A 143 3.909 -3.004 -13.727 1.00 41.03 H new ATOM 0 HG22 THR A 143 4.003 -3.942 -15.237 1.00 41.03 H new ATOM 0 HG23 THR A 143 3.909 -2.166 -15.297 1.00 41.03 H new ATOM 2247 N ASP A 144 -0.547 -4.313 -15.685 1.00 13.33 N ATOM 2248 CA ASP A 144 -1.983 -4.379 -15.552 1.00 31.44 C ATOM 2249 C ASP A 144 -2.326 -4.798 -14.145 1.00 34.51 C ATOM 2250 O ASP A 144 -2.590 -5.965 -13.863 1.00 62.31 O ATOM 2251 CB ASP A 144 -2.637 -5.301 -16.598 1.00 43.42 C ATOM 2252 CG ASP A 144 -4.147 -5.158 -16.633 1.00 74.01 C ATOM 2253 OD1 ASP A 144 -4.637 -4.228 -17.318 1.00 34.42 O ATOM 2254 OD2 ASP A 144 -4.860 -5.950 -15.993 1.00 75.02 O ATOM 0 H ASP A 144 -0.040 -5.105 -15.290 1.00 13.33 H new ATOM 0 HA ASP A 144 -2.392 -3.387 -15.745 1.00 31.44 H new ATOM 0 HB2 ASP A 144 -2.230 -5.073 -17.583 1.00 43.42 H new ATOM 0 HB3 ASP A 144 -2.378 -6.337 -16.378 1.00 43.42 H new ATOM 2259 N ILE A 145 -2.211 -3.853 -13.242 1.00 54.03 N ATOM 2260 CA ILE A 145 -2.462 -4.092 -11.850 1.00 13.21 C ATOM 2261 C ILE A 145 -3.603 -3.195 -11.398 1.00 35.44 C ATOM 2262 O ILE A 145 -3.598 -1.990 -11.658 1.00 21.21 O ATOM 2263 CB ILE A 145 -1.158 -3.863 -10.997 1.00 11.35 C ATOM 2264 CG1 ILE A 145 -0.036 -4.779 -11.551 1.00 41.34 C ATOM 2265 CG2 ILE A 145 -1.418 -4.153 -9.520 1.00 23.43 C ATOM 2266 CD1 ILE A 145 1.317 -4.583 -10.925 1.00 42.43 C ATOM 0 H ILE A 145 -1.939 -2.894 -13.458 1.00 54.03 H new ATOM 0 HA ILE A 145 -2.753 -5.132 -11.699 1.00 13.21 H new ATOM 0 HB ILE A 145 -0.849 -2.821 -11.074 1.00 11.35 H new ATOM 0 HG12 ILE A 145 -0.336 -5.818 -11.413 1.00 41.34 H new ATOM 0 HG13 ILE A 145 0.050 -4.612 -12.625 1.00 41.34 H new ATOM 0 HG21 ILE A 145 -0.503 -3.988 -8.950 1.00 23.43 H new ATOM 0 HG22 ILE A 145 -2.200 -3.489 -9.151 1.00 23.43 H new ATOM 0 HG23 ILE A 145 -1.736 -5.189 -9.403 1.00 23.43 H new ATOM 0 HD11 ILE A 145 2.031 -5.269 -11.380 1.00 42.43 H new ATOM 0 HD12 ILE A 145 1.647 -3.557 -11.085 1.00 42.43 H new ATOM 0 HD13 ILE A 145 1.255 -4.781 -9.855 1.00 42.43 H new ATOM 2278 N LYS A 146 -4.586 -3.794 -10.775 1.00 63.42 N ATOM 2279 CA LYS A 146 -5.768 -3.105 -10.322 1.00 43.13 C ATOM 2280 C LYS A 146 -5.487 -2.453 -9.003 1.00 11.40 C ATOM 2281 O LYS A 146 -5.061 -3.108 -8.059 1.00 63.31 O ATOM 2282 CB LYS A 146 -6.920 -4.092 -10.179 1.00 51.14 C ATOM 2283 CG LYS A 146 -7.281 -4.819 -11.467 1.00 21.55 C ATOM 2284 CD LYS A 146 -7.767 -3.867 -12.549 1.00 51.14 C ATOM 2285 CE LYS A 146 -9.061 -3.159 -12.154 1.00 74.34 C ATOM 2286 NZ LYS A 146 -9.547 -2.290 -13.236 1.00 72.13 N ATOM 0 H LYS A 146 -4.587 -4.792 -10.565 1.00 63.42 H new ATOM 0 HA LYS A 146 -6.046 -2.343 -11.050 1.00 43.13 H new ATOM 0 HB2 LYS A 146 -6.660 -4.829 -9.419 1.00 51.14 H new ATOM 0 HB3 LYS A 146 -7.799 -3.558 -9.818 1.00 51.14 H new ATOM 0 HG2 LYS A 146 -6.410 -5.365 -11.830 1.00 21.55 H new ATOM 0 HG3 LYS A 146 -8.056 -5.557 -11.260 1.00 21.55 H new ATOM 0 HD2 LYS A 146 -6.995 -3.124 -12.751 1.00 51.14 H new ATOM 0 HD3 LYS A 146 -7.926 -4.421 -13.474 1.00 51.14 H new ATOM 0 HE2 LYS A 146 -9.823 -3.899 -11.909 1.00 74.34 H new ATOM 0 HE3 LYS A 146 -8.893 -2.565 -11.255 1.00 74.34 H new ATOM 0 HZ1 LYS A 146 -10.427 -1.823 -12.937 1.00 72.13 H new ATOM 0 HZ2 LYS A 146 -8.829 -1.569 -13.452 1.00 72.13 H new ATOM 0 HZ3 LYS A 146 -9.729 -2.862 -14.085 1.00 72.13 H new ATOM 2300 N ILE A 147 -5.709 -1.178 -8.943 1.00 34.42 N ATOM 2301 CA ILE A 147 -5.407 -0.408 -7.778 1.00 65.35 C ATOM 2302 C ILE A 147 -6.687 0.137 -7.188 1.00 2.41 C ATOM 2303 O ILE A 147 -7.411 0.881 -7.828 1.00 14.44 O ATOM 2304 CB ILE A 147 -4.470 0.749 -8.171 1.00 64.44 C ATOM 2305 CG1 ILE A 147 -3.232 0.160 -8.854 1.00 62.52 C ATOM 2306 CG2 ILE A 147 -4.078 1.570 -6.941 1.00 50.20 C ATOM 2307 CD1 ILE A 147 -2.337 1.173 -9.483 1.00 33.25 C ATOM 0 H ILE A 147 -6.109 -0.637 -9.709 1.00 34.42 H new ATOM 0 HA ILE A 147 -4.915 -1.035 -7.034 1.00 65.35 H new ATOM 0 HB ILE A 147 -4.982 1.422 -8.859 1.00 64.44 H new ATOM 0 HG12 ILE A 147 -2.660 -0.406 -8.118 1.00 62.52 H new ATOM 0 HG13 ILE A 147 -3.555 -0.547 -9.618 1.00 62.52 H new ATOM 0 HG21 ILE A 147 -3.416 2.382 -7.241 1.00 50.20 H new ATOM 0 HG22 ILE A 147 -4.974 1.984 -6.479 1.00 50.20 H new ATOM 0 HG23 ILE A 147 -3.564 0.929 -6.224 1.00 50.20 H new ATOM 0 HD11 ILE A 147 -1.486 0.671 -9.943 1.00 33.25 H new ATOM 0 HD12 ILE A 147 -2.889 1.723 -10.245 1.00 33.25 H new ATOM 0 HD13 ILE A 147 -1.981 1.866 -8.721 1.00 33.25 H new ATOM 2319 N THR A 148 -6.961 -0.235 -5.997 1.00 24.31 N ATOM 2320 CA THR A 148 -8.140 0.180 -5.339 1.00 2.52 C ATOM 2321 C THR A 148 -7.777 1.168 -4.225 1.00 11.22 C ATOM 2322 O THR A 148 -7.062 0.832 -3.289 1.00 65.00 O ATOM 2323 CB THR A 148 -8.848 -1.047 -4.750 1.00 53.53 C ATOM 2324 OG1 THR A 148 -8.928 -2.066 -5.761 1.00 0.43 O ATOM 2325 CG2 THR A 148 -10.253 -0.691 -4.328 1.00 72.40 C ATOM 0 H THR A 148 -6.363 -0.847 -5.441 1.00 24.31 H new ATOM 0 HA THR A 148 -8.808 0.672 -6.046 1.00 2.52 H new ATOM 0 HB THR A 148 -8.286 -1.397 -3.885 1.00 53.53 H new ATOM 0 HG1 THR A 148 -9.378 -2.856 -5.394 1.00 0.43 H new ATOM 0 HG21 THR A 148 -10.742 -1.572 -3.912 1.00 72.40 H new ATOM 0 HG22 THR A 148 -10.218 0.095 -3.573 1.00 72.40 H new ATOM 0 HG23 THR A 148 -10.815 -0.339 -5.193 1.00 72.40 H new ATOM 2333 N VAL A 149 -8.241 2.370 -4.344 1.00 62.31 N ATOM 2334 CA VAL A 149 -7.966 3.374 -3.360 1.00 21.41 C ATOM 2335 C VAL A 149 -9.140 3.543 -2.446 1.00 63.15 C ATOM 2336 O VAL A 149 -10.235 3.911 -2.877 1.00 34.32 O ATOM 2337 CB VAL A 149 -7.563 4.733 -3.991 1.00 23.34 C ATOM 2338 CG1 VAL A 149 -7.439 5.822 -2.922 1.00 15.22 C ATOM 2339 CG2 VAL A 149 -6.237 4.584 -4.702 1.00 31.43 C ATOM 0 H VAL A 149 -8.820 2.686 -5.122 1.00 62.31 H new ATOM 0 HA VAL A 149 -7.109 3.030 -2.782 1.00 21.41 H new ATOM 0 HB VAL A 149 -8.340 5.026 -4.697 1.00 23.34 H new ATOM 0 HG11 VAL A 149 -7.156 6.763 -3.393 1.00 15.22 H new ATOM 0 HG12 VAL A 149 -8.396 5.944 -2.414 1.00 15.22 H new ATOM 0 HG13 VAL A 149 -6.677 5.535 -2.197 1.00 15.22 H new ATOM 0 HG21 VAL A 149 -5.953 5.538 -5.146 1.00 31.43 H new ATOM 0 HG22 VAL A 149 -5.474 4.274 -3.988 1.00 31.43 H new ATOM 0 HG23 VAL A 149 -6.327 3.832 -5.486 1.00 31.43 H new ATOM 2349 N TYR A 150 -8.912 3.259 -1.203 1.00 65.33 N ATOM 2350 CA TYR A 150 -9.902 3.409 -0.194 1.00 73.05 C ATOM 2351 C TYR A 150 -9.752 4.781 0.409 1.00 73.21 C ATOM 2352 O TYR A 150 -8.663 5.171 0.847 1.00 1.31 O ATOM 2353 CB TYR A 150 -9.785 2.320 0.884 1.00 32.00 C ATOM 2354 CG TYR A 150 -10.121 0.893 0.426 1.00 61.55 C ATOM 2355 CD1 TYR A 150 -9.441 0.282 -0.623 1.00 40.20 C ATOM 2356 CD2 TYR A 150 -11.114 0.155 1.067 1.00 64.45 C ATOM 2357 CE1 TYR A 150 -9.735 -1.005 -1.016 1.00 52.34 C ATOM 2358 CE2 TYR A 150 -11.409 -1.141 0.676 1.00 72.30 C ATOM 2359 CZ TYR A 150 -10.712 -1.714 -0.368 1.00 14.34 C ATOM 2360 OH TYR A 150 -11.002 -3.007 -0.771 1.00 73.54 O ATOM 0 H TYR A 150 -8.017 2.911 -0.859 1.00 65.33 H new ATOM 0 HA TYR A 150 -10.891 3.299 -0.639 1.00 73.05 H new ATOM 0 HB2 TYR A 150 -8.767 2.327 1.273 1.00 32.00 H new ATOM 0 HB3 TYR A 150 -10.444 2.581 1.712 1.00 32.00 H new ATOM 0 HD1 TYR A 150 -8.666 0.829 -1.140 1.00 40.20 H new ATOM 0 HD2 TYR A 150 -11.663 0.601 1.883 1.00 64.45 H new ATOM 0 HE1 TYR A 150 -9.195 -1.456 -1.836 1.00 52.34 H new ATOM 0 HE2 TYR A 150 -12.180 -1.700 1.185 1.00 72.30 H new ATOM 0 HH TYR A 150 -10.195 -3.424 -1.139 1.00 73.54 H new ATOM 2370 N THR A 151 -10.811 5.511 0.412 1.00 61.44 N ATOM 2371 CA THR A 151 -10.789 6.847 0.892 1.00 63.22 C ATOM 2372 C THR A 151 -11.139 6.900 2.364 1.00 33.02 C ATOM 2373 O THR A 151 -12.115 6.276 2.815 1.00 51.20 O ATOM 2374 CB THR A 151 -11.741 7.737 0.065 1.00 33.25 C ATOM 2375 OG1 THR A 151 -13.053 7.141 0.013 1.00 62.31 O ATOM 2376 CG2 THR A 151 -11.211 7.921 -1.349 1.00 43.34 C ATOM 0 H THR A 151 -11.722 5.196 0.079 1.00 61.44 H new ATOM 0 HA THR A 151 -9.776 7.233 0.777 1.00 63.22 H new ATOM 0 HB THR A 151 -11.803 8.712 0.547 1.00 33.25 H new ATOM 0 HG1 THR A 151 -13.651 7.713 -0.512 1.00 62.31 H new ATOM 0 HG21 THR A 151 -11.897 8.551 -1.915 1.00 43.34 H new ATOM 0 HG22 THR A 151 -10.230 8.395 -1.311 1.00 43.34 H new ATOM 0 HG23 THR A 151 -11.126 6.949 -1.835 1.00 43.34 H new