USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 744 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 Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.5) USER MOD Single : A 18 GLN : amide:sc= -4.27! C(o=-4.3!,f=-2.2!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -53:sc= 0.04 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.248 K(o=-0.25,f=-4.5!) USER MOD Single : A 88 SER OG : rot 180:sc= -0.0234 USER MOD Single : A 102 THR OG1 : rot 129:sc= 0.264 USER MOD Single : A 109 THR OG1 : rot 43:sc= 0.484 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 138 MET CE :methyl 153:sc= -4.29! (180deg=-6.59!) USER MOD Single : A 141 LYS NZ :NH3+ 150:sc= 2.39 (180deg=1.44) USER MOD Single : A 144 GLN : amide:sc= -1.39 K(o=-1.4,f=-8.1!) USER MOD ----------------------------------------------------------------- ATOM 56 N VAL A 5 -3.387 7.605 10.708 1.00 14.43 N ATOM 57 CA VAL A 5 -3.097 6.380 9.995 1.00 25.23 C ATOM 58 C VAL A 5 -3.962 6.311 8.741 1.00 0.13 C ATOM 59 O VAL A 5 -5.149 5.980 8.790 1.00 14.32 O ATOM 60 CB VAL A 5 -3.283 5.128 10.891 1.00 44.42 C ATOM 61 CG1 VAL A 5 -4.627 5.149 11.604 1.00 22.34 C ATOM 62 CG2 VAL A 5 -3.123 3.852 10.081 1.00 20.44 C ATOM 0 HA VAL A 5 -2.047 6.387 9.701 1.00 25.23 H new ATOM 0 HB VAL A 5 -2.503 5.150 11.652 1.00 44.42 H new ATOM 0 HG11 VAL A 5 -4.724 4.257 12.223 1.00 22.34 H new ATOM 0 HG12 VAL A 5 -4.691 6.037 12.233 1.00 22.34 H new ATOM 0 HG13 VAL A 5 -5.430 5.168 10.867 1.00 22.34 H new ATOM 0 HG21 VAL A 5 -3.258 2.988 10.732 1.00 20.44 H new ATOM 0 HG22 VAL A 5 -3.870 3.829 9.288 1.00 20.44 H new ATOM 0 HG23 VAL A 5 -2.126 3.823 9.641 1.00 20.44 H new ATOM 72 N VAL A 6 -3.363 6.680 7.620 1.00 32.31 N ATOM 73 CA VAL A 6 -4.089 6.793 6.370 1.00 11.43 C ATOM 74 C VAL A 6 -4.187 5.449 5.666 1.00 15.20 C ATOM 75 O VAL A 6 -3.214 4.704 5.573 1.00 51.22 O ATOM 76 CB VAL A 6 -3.448 7.837 5.427 1.00 61.33 C ATOM 77 CG1 VAL A 6 -3.622 9.239 5.988 1.00 25.41 C ATOM 78 CG2 VAL A 6 -1.972 7.543 5.199 1.00 34.14 C ATOM 0 H VAL A 6 -2.371 6.907 7.553 1.00 32.31 H new ATOM 0 HA VAL A 6 -5.095 7.132 6.619 1.00 11.43 H new ATOM 0 HB VAL A 6 -3.959 7.775 4.466 1.00 61.33 H new ATOM 0 HG11 VAL A 6 -3.165 9.961 5.311 1.00 25.41 H new ATOM 0 HG12 VAL A 6 -4.684 9.460 6.091 1.00 25.41 H new ATOM 0 HG13 VAL A 6 -3.142 9.302 6.964 1.00 25.41 H new ATOM 0 HG21 VAL A 6 -1.550 8.295 4.532 1.00 34.14 H new ATOM 0 HG22 VAL A 6 -1.445 7.567 6.153 1.00 34.14 H new ATOM 0 HG23 VAL A 6 -1.863 6.556 4.749 1.00 34.14 H new ATOM 88 N ARG A 7 -5.379 5.140 5.194 1.00 4.42 N ATOM 89 CA ARG A 7 -5.623 3.900 4.485 1.00 54.25 C ATOM 90 C ARG A 7 -6.579 4.147 3.333 1.00 44.32 C ATOM 91 O ARG A 7 -7.603 4.817 3.493 1.00 20.42 O ATOM 92 CB ARG A 7 -6.197 2.840 5.429 1.00 44.03 C ATOM 93 CG ARG A 7 -7.419 3.312 6.198 1.00 51.23 C ATOM 94 CD ARG A 7 -8.083 2.174 6.949 1.00 12.21 C ATOM 95 NE ARG A 7 -9.179 2.651 7.794 1.00 60.21 N ATOM 96 CZ ARG A 7 -10.438 2.222 7.696 1.00 75.44 C ATOM 97 NH1 ARG A 7 -10.772 1.341 6.762 1.00 35.51 N ATOM 98 NH2 ARG A 7 -11.370 2.691 8.518 1.00 4.34 N ATOM 0 H ARG A 7 -6.200 5.737 5.290 1.00 4.42 H new ATOM 0 HA ARG A 7 -4.676 3.531 4.093 1.00 54.25 H new ATOM 0 HB2 ARG A 7 -6.461 1.955 4.851 1.00 44.03 H new ATOM 0 HB3 ARG A 7 -5.425 2.540 6.138 1.00 44.03 H new ATOM 0 HG2 ARG A 7 -7.127 4.091 6.902 1.00 51.23 H new ATOM 0 HG3 ARG A 7 -8.134 3.758 5.507 1.00 51.23 H new ATOM 0 HD2 ARG A 7 -8.464 1.442 6.237 1.00 12.21 H new ATOM 0 HD3 ARG A 7 -7.343 1.664 7.566 1.00 12.21 H new ATOM 0 HE ARG A 7 -8.967 3.355 8.501 1.00 60.21 H new ATOM 0 HH11 ARG A 7 -10.065 0.990 6.116 1.00 35.51 H new ATOM 0 HH12 ARG A 7 -11.736 1.015 6.690 1.00 35.51 H new ATOM 0 HH21 ARG A 7 -11.124 3.382 9.227 1.00 4.34 H new ATOM 0 HH22 ARG A 7 -12.332 2.361 8.440 1.00 4.34 H new ATOM 112 N ASP A 8 -6.232 3.644 2.170 1.00 73.53 N ATOM 113 CA ASP A 8 -7.108 3.740 1.022 1.00 70.13 C ATOM 114 C ASP A 8 -6.984 2.473 0.197 1.00 33.21 C ATOM 115 O ASP A 8 -5.965 1.780 0.268 1.00 34.13 O ATOM 116 CB ASP A 8 -6.781 4.980 0.187 1.00 74.41 C ATOM 117 CG ASP A 8 -7.896 5.329 -0.776 1.00 62.22 C ATOM 118 OD1 ASP A 8 -9.059 4.970 -0.490 1.00 14.23 O ATOM 119 OD2 ASP A 8 -7.628 5.982 -1.803 1.00 32.32 O ATOM 0 H ASP A 8 -5.350 3.164 1.993 1.00 73.53 H new ATOM 0 HA ASP A 8 -8.139 3.844 1.361 1.00 70.13 H new ATOM 0 HB2 ASP A 8 -6.598 5.825 0.850 1.00 74.41 H new ATOM 0 HB3 ASP A 8 -5.861 4.808 -0.371 1.00 74.41 H new ATOM 124 N ALA A 9 -8.014 2.164 -0.567 1.00 3.15 N ATOM 125 CA ALA A 9 -8.053 0.916 -1.302 1.00 14.34 C ATOM 126 C ALA A 9 -8.412 1.147 -2.759 1.00 1.45 C ATOM 127 O ALA A 9 -9.227 2.012 -3.085 1.00 61.22 O ATOM 128 CB ALA A 9 -9.041 -0.044 -0.660 1.00 44.34 C ATOM 0 H ALA A 9 -8.833 2.759 -0.694 1.00 3.15 H new ATOM 0 HA ALA A 9 -7.057 0.474 -1.267 1.00 14.34 H new ATOM 0 HB1 ALA A 9 -9.060 -0.977 -1.223 1.00 44.34 H new ATOM 0 HB2 ALA A 9 -8.737 -0.246 0.367 1.00 44.34 H new ATOM 0 HB3 ALA A 9 -10.036 0.402 -0.663 1.00 44.34 H new ATOM 134 N VAL A 10 -7.788 0.371 -3.628 1.00 25.43 N ATOM 135 CA VAL A 10 -8.051 0.443 -5.054 1.00 1.44 C ATOM 136 C VAL A 10 -8.477 -0.924 -5.581 1.00 3.14 C ATOM 137 O VAL A 10 -7.907 -1.951 -5.207 1.00 63.11 O ATOM 138 CB VAL A 10 -6.821 0.957 -5.838 1.00 60.15 C ATOM 139 CG1 VAL A 10 -6.606 2.440 -5.579 1.00 60.52 C ATOM 140 CG2 VAL A 10 -5.571 0.171 -5.468 1.00 35.13 C ATOM 0 H VAL A 10 -7.088 -0.323 -3.366 1.00 25.43 H new ATOM 0 HA VAL A 10 -8.862 1.156 -5.205 1.00 1.44 H new ATOM 0 HB VAL A 10 -7.014 0.811 -6.901 1.00 60.15 H new ATOM 0 HG11 VAL A 10 -5.736 2.785 -6.139 1.00 60.52 H new ATOM 0 HG12 VAL A 10 -7.487 2.997 -5.898 1.00 60.52 H new ATOM 0 HG13 VAL A 10 -6.440 2.603 -4.514 1.00 60.52 H new ATOM 0 HG21 VAL A 10 -4.721 0.552 -6.033 1.00 35.13 H new ATOM 0 HG22 VAL A 10 -5.376 0.279 -4.401 1.00 35.13 H new ATOM 0 HG23 VAL A 10 -5.720 -0.883 -5.704 1.00 35.13 H new ATOM 150 N THR A 11 -9.489 -0.933 -6.434 1.00 51.23 N ATOM 151 CA THR A 11 -10.054 -2.170 -6.937 1.00 32.33 C ATOM 152 C THR A 11 -9.446 -2.539 -8.282 1.00 22.43 C ATOM 153 O THR A 11 -9.558 -1.789 -9.251 1.00 44.24 O ATOM 154 CB THR A 11 -11.579 -2.046 -7.099 1.00 72.04 C ATOM 155 OG1 THR A 11 -12.141 -1.404 -5.946 1.00 51.21 O ATOM 156 CG2 THR A 11 -12.213 -3.413 -7.287 1.00 72.05 C ATOM 0 H THR A 11 -9.937 -0.090 -6.793 1.00 51.23 H new ATOM 0 HA THR A 11 -9.826 -2.951 -6.211 1.00 32.33 H new ATOM 0 HB THR A 11 -11.784 -1.445 -7.985 1.00 72.04 H new ATOM 0 HG1 THR A 11 -13.112 -1.326 -6.056 1.00 51.21 H new ATOM 0 HG21 THR A 11 -13.291 -3.302 -7.400 1.00 72.05 H new ATOM 0 HG22 THR A 11 -11.802 -3.885 -8.179 1.00 72.05 H new ATOM 0 HG23 THR A 11 -12.001 -4.035 -6.417 1.00 72.05 H new ATOM 164 N ILE A 12 -8.790 -3.681 -8.326 1.00 64.21 N ATOM 165 CA ILE A 12 -8.228 -4.202 -9.567 1.00 72.20 C ATOM 166 C ILE A 12 -8.801 -5.587 -9.845 1.00 70.42 C ATOM 167 O ILE A 12 -8.967 -6.391 -8.926 1.00 44.44 O ATOM 168 CB ILE A 12 -6.676 -4.268 -9.522 1.00 2.21 C ATOM 169 CG1 ILE A 12 -6.077 -2.860 -9.499 1.00 51.23 C ATOM 170 CG2 ILE A 12 -6.105 -5.092 -10.660 1.00 61.42 C ATOM 171 CD1 ILE A 12 -6.016 -2.240 -8.119 1.00 13.14 C ATOM 0 H ILE A 12 -8.629 -4.274 -7.512 1.00 64.21 H new ATOM 0 HA ILE A 12 -8.502 -3.518 -10.370 1.00 72.20 H new ATOM 0 HB ILE A 12 -6.397 -4.775 -8.598 1.00 2.21 H new ATOM 0 HG12 ILE A 12 -5.070 -2.898 -9.914 1.00 51.23 H new ATOM 0 HG13 ILE A 12 -6.666 -2.215 -10.150 1.00 51.23 H new ATOM 0 HG21 ILE A 12 -5.018 -5.109 -10.587 1.00 61.42 H new ATOM 0 HG22 ILE A 12 -6.489 -6.110 -10.600 1.00 61.42 H new ATOM 0 HG23 ILE A 12 -6.397 -4.649 -11.612 1.00 61.42 H new ATOM 0 HD11 ILE A 12 -5.580 -1.243 -8.187 1.00 13.14 H new ATOM 0 HD12 ILE A 12 -7.023 -2.168 -7.708 1.00 13.14 H new ATOM 0 HD13 ILE A 12 -5.402 -2.862 -7.468 1.00 13.14 H new ATOM 183 N GLY A 13 -9.120 -5.860 -11.105 1.00 34.22 N ATOM 184 CA GLY A 13 -9.687 -7.149 -11.467 1.00 71.33 C ATOM 185 C GLY A 13 -8.643 -8.251 -11.549 1.00 12.20 C ATOM 186 O GLY A 13 -8.534 -8.944 -12.560 1.00 23.33 O ATOM 0 H GLY A 13 -8.997 -5.213 -11.884 1.00 34.22 H new ATOM 0 HA2 GLY A 13 -10.444 -7.426 -10.734 1.00 71.33 H new ATOM 0 HA3 GLY A 13 -10.192 -7.061 -12.429 1.00 71.33 H new ATOM 190 N LYS A 14 -7.872 -8.403 -10.481 1.00 71.14 N ATOM 191 CA LYS A 14 -6.879 -9.463 -10.367 1.00 51.35 C ATOM 192 C LYS A 14 -7.172 -10.276 -9.115 1.00 55.45 C ATOM 193 O LYS A 14 -7.619 -9.717 -8.119 1.00 54.12 O ATOM 194 CB LYS A 14 -5.459 -8.886 -10.289 1.00 62.05 C ATOM 195 CG LYS A 14 -4.542 -9.295 -11.437 1.00 35.00 C ATOM 196 CD LYS A 14 -4.442 -8.239 -12.530 1.00 50.21 C ATOM 197 CE LYS A 14 -5.689 -8.186 -13.395 1.00 5.31 C ATOM 198 NZ LYS A 14 -5.524 -7.247 -14.536 1.00 25.31 N ATOM 0 H LYS A 14 -7.918 -7.792 -9.666 1.00 71.14 H new ATOM 0 HA LYS A 14 -6.936 -10.096 -11.252 1.00 51.35 H new ATOM 0 HB2 LYS A 14 -5.524 -7.798 -10.264 1.00 62.05 H new ATOM 0 HB3 LYS A 14 -5.005 -9.200 -9.349 1.00 62.05 H new ATOM 0 HG2 LYS A 14 -3.546 -9.497 -11.044 1.00 35.00 H new ATOM 0 HG3 LYS A 14 -4.908 -10.225 -11.872 1.00 35.00 H new ATOM 0 HD2 LYS A 14 -4.276 -7.263 -12.075 1.00 50.21 H new ATOM 0 HD3 LYS A 14 -3.576 -8.449 -13.157 1.00 50.21 H new ATOM 0 HE2 LYS A 14 -5.913 -9.183 -13.773 1.00 5.31 H new ATOM 0 HE3 LYS A 14 -6.540 -7.877 -12.789 1.00 5.31 H new ATOM 0 HZ1 LYS A 14 -6.136 -7.545 -15.322 1.00 25.31 H new ATOM 0 HZ2 LYS A 14 -5.788 -6.287 -14.236 1.00 25.31 H new ATOM 0 HZ3 LYS A 14 -4.532 -7.251 -14.848 1.00 25.31 H new ATOM 212 N PRO A 15 -6.936 -11.598 -9.146 1.00 50.32 N ATOM 213 CA PRO A 15 -7.266 -12.484 -8.021 1.00 63.23 C ATOM 214 C PRO A 15 -6.644 -12.030 -6.701 1.00 63.24 C ATOM 215 O PRO A 15 -7.366 -11.761 -5.741 1.00 71.12 O ATOM 216 CB PRO A 15 -6.683 -13.841 -8.442 1.00 60.25 C ATOM 217 CG PRO A 15 -5.787 -13.557 -9.601 1.00 13.11 C ATOM 218 CD PRO A 15 -6.345 -12.335 -10.269 1.00 2.42 C ATOM 0 HA PRO A 15 -8.340 -12.501 -7.834 1.00 63.23 H new ATOM 0 HB2 PRO A 15 -6.129 -14.300 -7.623 1.00 60.25 H new ATOM 0 HB3 PRO A 15 -7.474 -14.537 -8.721 1.00 60.25 H new ATOM 0 HG2 PRO A 15 -4.763 -13.386 -9.269 1.00 13.11 H new ATOM 0 HG3 PRO A 15 -5.762 -14.401 -10.290 1.00 13.11 H new ATOM 0 HD2 PRO A 15 -5.569 -11.757 -10.770 1.00 2.42 H new ATOM 0 HD3 PRO A 15 -7.089 -12.590 -11.023 1.00 2.42 H new ATOM 226 N ALA A 16 -5.311 -11.923 -6.678 1.00 51.44 N ATOM 227 CA ALA A 16 -4.567 -11.470 -5.497 1.00 54.34 C ATOM 228 C ALA A 16 -3.069 -11.612 -5.734 1.00 62.34 C ATOM 229 O ALA A 16 -2.308 -10.660 -5.584 1.00 62.45 O ATOM 230 CB ALA A 16 -4.964 -12.255 -4.250 1.00 23.12 C ATOM 0 H ALA A 16 -4.718 -12.148 -7.477 1.00 51.44 H new ATOM 0 HA ALA A 16 -4.815 -10.421 -5.333 1.00 54.34 H new ATOM 0 HB1 ALA A 16 -4.393 -11.893 -3.395 1.00 23.12 H new ATOM 0 HB2 ALA A 16 -6.029 -12.120 -4.059 1.00 23.12 H new ATOM 0 HB3 ALA A 16 -4.754 -13.313 -4.404 1.00 23.12 H new ATOM 236 N GLU A 17 -2.679 -12.821 -6.125 1.00 44.41 N ATOM 237 CA GLU A 17 -1.280 -13.192 -6.348 1.00 74.44 C ATOM 238 C GLU A 17 -0.542 -12.181 -7.234 1.00 1.53 C ATOM 239 O GLU A 17 0.549 -11.716 -6.896 1.00 64.12 O ATOM 240 CB GLU A 17 -1.246 -14.581 -6.993 1.00 53.54 C ATOM 241 CG GLU A 17 0.132 -15.062 -7.405 1.00 40.52 C ATOM 242 CD GLU A 17 0.063 -16.352 -8.193 1.00 72.51 C ATOM 243 OE1 GLU A 17 -0.276 -16.301 -9.393 1.00 53.01 O ATOM 244 OE2 GLU A 17 0.318 -17.428 -7.611 1.00 65.54 O ATOM 0 H GLU A 17 -3.333 -13.584 -6.299 1.00 44.41 H new ATOM 0 HA GLU A 17 -0.767 -13.199 -5.386 1.00 74.44 H new ATOM 0 HB2 GLU A 17 -1.672 -15.301 -6.294 1.00 53.54 H new ATOM 0 HB3 GLU A 17 -1.890 -14.573 -7.873 1.00 53.54 H new ATOM 0 HG2 GLU A 17 0.621 -14.295 -8.005 1.00 40.52 H new ATOM 0 HG3 GLU A 17 0.746 -15.211 -6.517 1.00 40.52 H new ATOM 251 N GLN A 18 -1.152 -11.842 -8.362 1.00 3.12 N ATOM 252 CA GLN A 18 -0.526 -10.975 -9.355 1.00 23.22 C ATOM 253 C GLN A 18 -0.377 -9.536 -8.852 1.00 64.25 C ATOM 254 O GLN A 18 0.462 -8.785 -9.347 1.00 54.12 O ATOM 255 CB GLN A 18 -1.345 -11.014 -10.649 1.00 52.42 C ATOM 256 CG GLN A 18 -0.756 -10.189 -11.780 1.00 64.42 C ATOM 257 CD GLN A 18 -1.400 -10.502 -13.114 1.00 25.24 C ATOM 258 OE1 GLN A 18 -1.836 -11.625 -13.355 1.00 60.11 O ATOM 259 NE2 GLN A 18 -1.464 -9.514 -13.988 1.00 63.31 N ATOM 0 H GLN A 18 -2.089 -12.157 -8.615 1.00 3.12 H new ATOM 0 HA GLN A 18 0.481 -11.347 -9.546 1.00 23.22 H new ATOM 0 HB2 GLN A 18 -1.436 -12.049 -10.978 1.00 52.42 H new ATOM 0 HB3 GLN A 18 -2.353 -10.656 -10.439 1.00 52.42 H new ATOM 0 HG2 GLN A 18 -0.882 -9.129 -11.558 1.00 64.42 H new ATOM 0 HG3 GLN A 18 0.316 -10.376 -11.843 1.00 64.42 H new ATOM 0 HE21 GLN A 18 -1.090 -8.596 -13.748 1.00 63.31 H new ATOM 0 HE22 GLN A 18 -1.888 -9.669 -14.903 1.00 63.31 H new ATOM 268 N LEU A 19 -1.166 -9.171 -7.849 1.00 25.35 N ATOM 269 CA LEU A 19 -1.178 -7.803 -7.333 1.00 0.33 C ATOM 270 C LEU A 19 0.139 -7.460 -6.643 1.00 53.01 C ATOM 271 O LEU A 19 0.587 -6.318 -6.684 1.00 42.22 O ATOM 272 CB LEU A 19 -2.357 -7.619 -6.366 1.00 40.21 C ATOM 273 CG LEU A 19 -3.744 -7.864 -6.977 1.00 64.44 C ATOM 274 CD1 LEU A 19 -4.817 -7.908 -5.902 1.00 23.40 C ATOM 275 CD2 LEU A 19 -4.078 -6.784 -7.989 1.00 2.21 C ATOM 0 H LEU A 19 -1.809 -9.804 -7.374 1.00 25.35 H new ATOM 0 HA LEU A 19 -1.298 -7.121 -8.175 1.00 0.33 H new ATOM 0 HB2 LEU A 19 -2.224 -8.296 -5.522 1.00 40.21 H new ATOM 0 HB3 LEU A 19 -2.326 -6.605 -5.969 1.00 40.21 H new ATOM 0 HG LEU A 19 -3.718 -8.831 -7.480 1.00 64.44 H new ATOM 0 HD11 LEU A 19 -5.788 -8.083 -6.364 1.00 23.40 H new ATOM 0 HD12 LEU A 19 -4.598 -8.714 -5.202 1.00 23.40 H new ATOM 0 HD13 LEU A 19 -4.835 -6.958 -5.367 1.00 23.40 H new ATOM 0 HD21 LEU A 19 -5.065 -6.974 -8.412 1.00 2.21 H new ATOM 0 HD22 LEU A 19 -4.075 -5.811 -7.497 1.00 2.21 H new ATOM 0 HD23 LEU A 19 -3.335 -6.790 -8.786 1.00 2.21 H new ATOM 287 N TYR A 20 0.761 -8.446 -6.010 1.00 64.14 N ATOM 288 CA TYR A 20 2.043 -8.224 -5.344 1.00 61.54 C ATOM 289 C TYR A 20 3.170 -8.068 -6.373 1.00 44.12 C ATOM 290 O TYR A 20 4.195 -7.446 -6.100 1.00 20.43 O ATOM 291 CB TYR A 20 2.352 -9.361 -4.364 1.00 52.31 C ATOM 292 CG TYR A 20 3.603 -9.131 -3.539 1.00 30.42 C ATOM 293 CD1 TYR A 20 3.779 -7.957 -2.809 1.00 21.31 C ATOM 294 CD2 TYR A 20 4.607 -10.087 -3.492 1.00 75.32 C ATOM 295 CE1 TYR A 20 4.926 -7.746 -2.063 1.00 51.43 C ATOM 296 CE2 TYR A 20 5.755 -9.885 -2.745 1.00 21.14 C ATOM 297 CZ TYR A 20 5.910 -8.713 -2.035 1.00 32.31 C ATOM 298 OH TYR A 20 7.052 -8.508 -1.290 1.00 1.04 O ATOM 0 H TYR A 20 0.405 -9.399 -5.942 1.00 64.14 H new ATOM 0 HA TYR A 20 1.974 -7.297 -4.774 1.00 61.54 H new ATOM 0 HB2 TYR A 20 1.503 -9.491 -3.692 1.00 52.31 H new ATOM 0 HB3 TYR A 20 2.462 -10.291 -4.923 1.00 52.31 H new ATOM 0 HD1 TYR A 20 3.009 -7.200 -2.825 1.00 21.31 H new ATOM 0 HD2 TYR A 20 4.491 -11.005 -4.048 1.00 75.32 H new ATOM 0 HE1 TYR A 20 5.050 -6.829 -1.506 1.00 51.43 H new ATOM 0 HE2 TYR A 20 6.525 -10.642 -2.718 1.00 21.14 H new ATOM 0 HH TYR A 20 7.643 -9.285 -1.377 1.00 1.04 H new ATOM 308 N ALA A 21 2.962 -8.620 -7.564 1.00 13.32 N ATOM 309 CA ALA A 21 3.977 -8.599 -8.621 1.00 23.05 C ATOM 310 C ALA A 21 4.087 -7.225 -9.283 1.00 40.21 C ATOM 311 O ALA A 21 4.933 -7.007 -10.156 1.00 41.02 O ATOM 312 CB ALA A 21 3.669 -9.662 -9.660 1.00 53.33 C ATOM 0 H ALA A 21 2.096 -9.091 -7.826 1.00 13.32 H new ATOM 0 HA ALA A 21 4.940 -8.814 -8.158 1.00 23.05 H new ATOM 0 HB1 ALA A 21 4.429 -9.638 -10.441 1.00 53.33 H new ATOM 0 HB2 ALA A 21 3.666 -10.644 -9.186 1.00 53.33 H new ATOM 0 HB3 ALA A 21 2.691 -9.468 -10.100 1.00 53.33 H new ATOM 318 N VAL A 22 3.221 -6.313 -8.862 1.00 22.05 N ATOM 319 CA VAL A 22 3.179 -4.947 -9.388 1.00 53.40 C ATOM 320 C VAL A 22 4.532 -4.227 -9.252 1.00 70.34 C ATOM 321 O VAL A 22 4.793 -3.254 -9.959 1.00 22.13 O ATOM 322 CB VAL A 22 2.089 -4.118 -8.673 1.00 53.12 C ATOM 323 CG1 VAL A 22 2.436 -3.926 -7.206 1.00 34.22 C ATOM 324 CG2 VAL A 22 1.874 -2.777 -9.361 1.00 22.02 C ATOM 0 H VAL A 22 2.522 -6.497 -8.142 1.00 22.05 H new ATOM 0 HA VAL A 22 2.943 -5.031 -10.449 1.00 53.40 H new ATOM 0 HB VAL A 22 1.153 -4.674 -8.733 1.00 53.12 H new ATOM 0 HG11 VAL A 22 1.655 -3.340 -6.721 1.00 34.22 H new ATOM 0 HG12 VAL A 22 2.514 -4.899 -6.720 1.00 34.22 H new ATOM 0 HG13 VAL A 22 3.388 -3.402 -7.123 1.00 34.22 H new ATOM 0 HG21 VAL A 22 1.101 -2.218 -8.834 1.00 22.02 H new ATOM 0 HG22 VAL A 22 2.804 -2.209 -9.350 1.00 22.02 H new ATOM 0 HG23 VAL A 22 1.562 -2.943 -10.392 1.00 22.02 H new ATOM 334 N TRP A 23 5.376 -4.710 -8.335 1.00 15.14 N ATOM 335 CA TRP A 23 6.671 -4.085 -8.039 1.00 60.35 C ATOM 336 C TRP A 23 7.490 -3.763 -9.295 1.00 71.11 C ATOM 337 O TRP A 23 8.257 -2.800 -9.303 1.00 65.22 O ATOM 338 CB TRP A 23 7.490 -4.971 -7.098 1.00 14.31 C ATOM 339 CG TRP A 23 7.140 -4.776 -5.654 1.00 43.04 C ATOM 340 CD1 TRP A 23 6.190 -5.444 -4.938 1.00 43.10 C ATOM 341 CD2 TRP A 23 7.742 -3.843 -4.751 1.00 24.20 C ATOM 342 NE1 TRP A 23 6.164 -4.981 -3.645 1.00 22.42 N ATOM 343 CE2 TRP A 23 7.109 -3.999 -3.505 1.00 34.24 C ATOM 344 CE3 TRP A 23 8.758 -2.891 -4.875 1.00 21.33 C ATOM 345 CZ2 TRP A 23 7.455 -3.236 -2.393 1.00 52.32 C ATOM 346 CZ3 TRP A 23 9.103 -2.135 -3.771 1.00 65.14 C ATOM 347 CH2 TRP A 23 8.454 -2.312 -2.543 1.00 71.33 C ATOM 0 H TRP A 23 5.183 -5.542 -7.778 1.00 15.14 H new ATOM 0 HA TRP A 23 6.447 -3.135 -7.554 1.00 60.35 H new ATOM 0 HB2 TRP A 23 7.334 -6.016 -7.365 1.00 14.31 H new ATOM 0 HB3 TRP A 23 8.550 -4.760 -7.241 1.00 14.31 H new ATOM 0 HD1 TRP A 23 5.552 -6.222 -5.330 1.00 43.10 H new ATOM 0 HE1 TRP A 23 5.542 -5.314 -2.909 1.00 22.42 H new ATOM 0 HE3 TRP A 23 9.265 -2.749 -5.818 1.00 21.33 H new ATOM 0 HZ2 TRP A 23 6.953 -3.368 -1.446 1.00 52.32 H new ATOM 0 HZ3 TRP A 23 9.886 -1.396 -3.857 1.00 65.14 H new ATOM 0 HH2 TRP A 23 8.747 -1.708 -1.697 1.00 71.33 H new ATOM 358 N ARG A 24 7.344 -4.558 -10.350 1.00 55.10 N ATOM 359 CA ARG A 24 8.032 -4.261 -11.602 1.00 24.50 C ATOM 360 C ARG A 24 7.043 -4.016 -12.732 1.00 44.13 C ATOM 361 O ARG A 24 6.673 -2.879 -12.994 1.00 71.11 O ATOM 362 CB ARG A 24 9.014 -5.368 -11.987 1.00 43.11 C ATOM 363 CG ARG A 24 10.239 -5.433 -11.092 1.00 52.13 C ATOM 364 CD ARG A 24 10.961 -4.092 -11.024 1.00 64.14 C ATOM 365 NE ARG A 24 11.439 -3.638 -12.334 1.00 4.35 N ATOM 366 CZ ARG A 24 11.844 -2.389 -12.586 1.00 2.44 C ATOM 367 NH1 ARG A 24 11.798 -1.463 -11.630 1.00 2.20 N ATOM 368 NH2 ARG A 24 12.279 -2.060 -13.800 1.00 3.53 N ATOM 0 H ARG A 24 6.766 -5.398 -10.365 1.00 55.10 H new ATOM 0 HA ARG A 24 8.603 -3.347 -11.439 1.00 24.50 H new ATOM 0 HB2 ARG A 24 8.498 -6.328 -11.953 1.00 43.11 H new ATOM 0 HB3 ARG A 24 9.335 -5.215 -13.017 1.00 43.11 H new ATOM 0 HG2 ARG A 24 9.941 -5.737 -10.089 1.00 52.13 H new ATOM 0 HG3 ARG A 24 10.922 -6.195 -11.466 1.00 52.13 H new ATOM 0 HD2 ARG A 24 10.288 -3.342 -10.608 1.00 64.14 H new ATOM 0 HD3 ARG A 24 11.807 -4.174 -10.342 1.00 64.14 H new ATOM 0 HE ARG A 24 11.464 -4.314 -13.097 1.00 4.35 H new ATOM 0 HH11 ARG A 24 11.453 -1.705 -10.701 1.00 2.20 H new ATOM 0 HH12 ARG A 24 12.108 -0.511 -11.826 1.00 2.20 H new ATOM 0 HH21 ARG A 24 12.304 -2.761 -14.540 1.00 3.53 H new ATOM 0 HH22 ARG A 24 12.588 -1.107 -13.990 1.00 3.53 H new ATOM 382 N ASP A 25 6.595 -5.082 -13.383 1.00 50.33 N ATOM 383 CA ASP A 25 5.721 -4.943 -14.544 1.00 20.44 C ATOM 384 C ASP A 25 4.807 -6.156 -14.657 1.00 32.02 C ATOM 385 O ASP A 25 4.487 -6.612 -15.756 1.00 41.23 O ATOM 386 CB ASP A 25 6.566 -4.778 -15.816 1.00 61.43 C ATOM 387 CG ASP A 25 5.746 -4.383 -17.034 1.00 22.10 C ATOM 388 OD1 ASP A 25 4.711 -3.704 -16.873 1.00 75.11 O ATOM 389 OD2 ASP A 25 6.154 -4.727 -18.168 1.00 63.23 O ATOM 0 H ASP A 25 6.819 -6.045 -13.131 1.00 50.33 H new ATOM 0 HA ASP A 25 5.100 -4.055 -14.423 1.00 20.44 H new ATOM 0 HB2 ASP A 25 7.331 -4.022 -15.640 1.00 61.43 H new ATOM 0 HB3 ASP A 25 7.085 -5.714 -16.023 1.00 61.43 H new ATOM 394 N LEU A 26 4.388 -6.671 -13.495 1.00 12.05 N ATOM 395 CA LEU A 26 3.504 -7.837 -13.427 1.00 54.34 C ATOM 396 C LEU A 26 4.207 -9.090 -13.968 1.00 25.43 C ATOM 397 O LEU A 26 5.268 -8.994 -14.589 1.00 41.13 O ATOM 398 CB LEU A 26 2.195 -7.572 -14.197 1.00 73.41 C ATOM 399 CG LEU A 26 1.144 -6.710 -13.475 1.00 12.00 C ATOM 400 CD1 LEU A 26 1.696 -5.339 -13.117 1.00 35.11 C ATOM 401 CD2 LEU A 26 -0.095 -6.560 -14.343 1.00 35.21 C ATOM 0 H LEU A 26 4.650 -6.294 -12.584 1.00 12.05 H new ATOM 0 HA LEU A 26 3.257 -8.014 -12.380 1.00 54.34 H new ATOM 0 HB2 LEU A 26 2.445 -7.088 -15.141 1.00 73.41 H new ATOM 0 HB3 LEU A 26 1.741 -8.532 -14.442 1.00 73.41 H new ATOM 0 HG LEU A 26 0.878 -7.217 -12.548 1.00 12.00 H new ATOM 0 HD11 LEU A 26 0.926 -4.758 -12.609 1.00 35.11 H new ATOM 0 HD12 LEU A 26 2.557 -5.454 -12.459 1.00 35.11 H new ATOM 0 HD13 LEU A 26 2.000 -4.821 -14.026 1.00 35.11 H new ATOM 0 HD21 LEU A 26 -0.832 -5.948 -13.823 1.00 35.21 H new ATOM 0 HD22 LEU A 26 0.176 -6.080 -15.284 1.00 35.21 H new ATOM 0 HD23 LEU A 26 -0.518 -7.544 -14.546 1.00 35.21 H new ATOM 413 N PRO A 27 3.653 -10.288 -13.703 1.00 64.11 N ATOM 414 CA PRO A 27 4.205 -11.541 -14.225 1.00 33.32 C ATOM 415 C PRO A 27 4.234 -11.556 -15.747 1.00 40.24 C ATOM 416 O PRO A 27 3.202 -11.709 -16.400 1.00 42.20 O ATOM 417 CB PRO A 27 3.250 -12.617 -13.692 1.00 2.04 C ATOM 418 CG PRO A 27 2.571 -11.981 -12.530 1.00 63.23 C ATOM 419 CD PRO A 27 2.466 -10.523 -12.870 1.00 25.43 C ATOM 0 HA PRO A 27 5.238 -11.693 -13.913 1.00 33.32 H new ATOM 0 HB2 PRO A 27 2.531 -12.920 -14.453 1.00 2.04 H new ATOM 0 HB3 PRO A 27 3.792 -13.513 -13.391 1.00 2.04 H new ATOM 0 HG2 PRO A 27 1.586 -12.417 -12.366 1.00 63.23 H new ATOM 0 HG3 PRO A 27 3.142 -12.129 -11.613 1.00 63.23 H new ATOM 0 HD2 PRO A 27 1.545 -10.300 -13.409 1.00 25.43 H new ATOM 0 HD3 PRO A 27 2.471 -9.899 -11.976 1.00 25.43 H new ATOM 998 N ALA A 64 14.222 -4.461 1.180 1.00 62.25 N ATOM 999 CA ALA A 64 13.150 -4.654 2.131 1.00 71.05 C ATOM 1000 C ALA A 64 13.002 -6.122 2.489 1.00 25.22 C ATOM 1001 O ALA A 64 13.213 -6.998 1.656 1.00 32.31 O ATOM 1002 CB ALA A 64 11.849 -4.113 1.564 1.00 60.14 C ATOM 0 HA ALA A 64 13.394 -4.107 3.042 1.00 71.05 H new ATOM 0 HB1 ALA A 64 11.047 -4.263 2.287 1.00 60.14 H new ATOM 0 HB2 ALA A 64 11.957 -3.048 1.357 1.00 60.14 H new ATOM 0 HB3 ALA A 64 11.608 -4.639 0.640 1.00 60.14 H new ATOM 1008 N GLU A 65 12.644 -6.374 3.734 1.00 11.20 N ATOM 1009 CA GLU A 65 12.309 -7.711 4.189 1.00 60.43 C ATOM 1010 C GLU A 65 10.793 -7.784 4.352 1.00 71.11 C ATOM 1011 O GLU A 65 10.115 -6.766 4.232 1.00 45.22 O ATOM 1012 CB GLU A 65 13.012 -7.999 5.522 1.00 61.45 C ATOM 1013 CG GLU A 65 12.980 -9.456 5.946 1.00 33.32 C ATOM 1014 CD GLU A 65 13.669 -9.672 7.274 1.00 42.05 C ATOM 1015 OE1 GLU A 65 14.899 -9.875 7.285 1.00 34.15 O ATOM 1016 OE2 GLU A 65 12.984 -9.620 8.315 1.00 3.22 O ATOM 0 H GLU A 65 12.577 -5.659 4.458 1.00 11.20 H new ATOM 0 HA GLU A 65 12.640 -8.458 3.468 1.00 60.43 H new ATOM 0 HB2 GLU A 65 14.051 -7.678 5.448 1.00 61.45 H new ATOM 0 HB3 GLU A 65 12.547 -7.396 6.302 1.00 61.45 H new ATOM 0 HG2 GLU A 65 11.945 -9.791 6.015 1.00 33.32 H new ATOM 0 HG3 GLU A 65 13.463 -10.067 5.183 1.00 33.32 H new ATOM 1023 N LEU A 66 10.251 -8.959 4.610 1.00 13.44 N ATOM 1024 CA LEU A 66 8.805 -9.115 4.660 1.00 23.44 C ATOM 1025 C LEU A 66 8.377 -9.842 5.926 1.00 31.32 C ATOM 1026 O LEU A 66 9.090 -10.718 6.413 1.00 44.22 O ATOM 1027 CB LEU A 66 8.338 -9.880 3.420 1.00 12.24 C ATOM 1028 CG LEU A 66 6.885 -9.654 3.030 1.00 11.14 C ATOM 1029 CD1 LEU A 66 6.612 -8.162 2.936 1.00 34.44 C ATOM 1030 CD2 LEU A 66 6.588 -10.349 1.707 1.00 42.40 C ATOM 0 H LEU A 66 10.781 -9.812 4.787 1.00 13.44 H new ATOM 0 HA LEU A 66 8.343 -8.128 4.674 1.00 23.44 H new ATOM 0 HB2 LEU A 66 8.972 -9.599 2.579 1.00 12.24 H new ATOM 0 HB3 LEU A 66 8.490 -10.946 3.591 1.00 12.24 H new ATOM 0 HG LEU A 66 6.230 -10.079 3.790 1.00 11.14 H new ATOM 0 HD11 LEU A 66 5.571 -7.999 2.657 1.00 34.44 H new ATOM 0 HD12 LEU A 66 6.806 -7.695 3.902 1.00 34.44 H new ATOM 0 HD13 LEU A 66 7.263 -7.720 2.182 1.00 34.44 H new ATOM 0 HD21 LEU A 66 5.546 -10.183 1.435 1.00 42.40 H new ATOM 0 HD22 LEU A 66 7.236 -9.943 0.930 1.00 42.40 H new ATOM 0 HD23 LEU A 66 6.770 -11.419 1.809 1.00 42.40 H new ATOM 1042 N THR A 67 7.223 -9.467 6.473 1.00 42.22 N ATOM 1043 CA THR A 67 6.715 -10.137 7.667 1.00 4.23 C ATOM 1044 C THR A 67 5.706 -11.216 7.299 1.00 62.22 C ATOM 1045 O THR A 67 5.640 -12.268 7.935 1.00 1.11 O ATOM 1046 CB THR A 67 6.054 -9.147 8.645 1.00 52.05 C ATOM 1047 OG1 THR A 67 4.922 -8.526 8.032 1.00 55.54 O ATOM 1048 CG2 THR A 67 7.037 -8.082 9.073 1.00 34.42 C ATOM 0 H THR A 67 6.631 -8.717 6.116 1.00 42.22 H new ATOM 0 HA THR A 67 7.576 -10.591 8.158 1.00 4.23 H new ATOM 0 HB THR A 67 5.730 -9.706 9.523 1.00 52.05 H new ATOM 0 HG1 THR A 67 5.189 -8.131 7.176 1.00 55.54 H new ATOM 0 HG21 THR A 67 6.550 -7.393 9.763 1.00 34.42 H new ATOM 0 HG22 THR A 67 7.888 -8.550 9.568 1.00 34.42 H new ATOM 0 HG23 THR A 67 7.383 -7.533 8.197 1.00 34.42 H new ATOM 1056 N ALA A 68 4.940 -10.953 6.255 1.00 21.30 N ATOM 1057 CA ALA A 68 3.889 -11.870 5.831 1.00 32.41 C ATOM 1058 C ALA A 68 3.827 -11.958 4.317 1.00 20.42 C ATOM 1059 O ALA A 68 3.888 -10.937 3.631 1.00 42.11 O ATOM 1060 CB ALA A 68 2.544 -11.429 6.391 1.00 43.42 C ATOM 0 H ALA A 68 5.024 -10.113 5.683 1.00 21.30 H new ATOM 0 HA ALA A 68 4.123 -12.861 6.221 1.00 32.41 H new ATOM 0 HB1 ALA A 68 1.769 -12.123 6.066 1.00 43.42 H new ATOM 0 HB2 ALA A 68 2.589 -11.419 7.480 1.00 43.42 H new ATOM 0 HB3 ALA A 68 2.310 -10.428 6.029 1.00 43.42 H new ATOM 1066 N ASP A 69 3.696 -13.171 3.805 1.00 42.52 N ATOM 1067 CA ASP A 69 3.677 -13.400 2.364 1.00 42.41 C ATOM 1068 C ASP A 69 2.596 -14.411 1.983 1.00 1.03 C ATOM 1069 O ASP A 69 2.875 -15.574 1.692 1.00 20.42 O ATOM 1070 CB ASP A 69 5.059 -13.858 1.860 1.00 63.24 C ATOM 1071 CG ASP A 69 5.604 -15.070 2.600 1.00 5.01 C ATOM 1072 OD1 ASP A 69 6.030 -14.925 3.767 1.00 40.44 O ATOM 1073 OD2 ASP A 69 5.629 -16.176 2.019 1.00 42.34 O ATOM 0 H ASP A 69 3.601 -14.017 4.366 1.00 42.52 H new ATOM 0 HA ASP A 69 3.438 -12.454 1.879 1.00 42.41 H new ATOM 0 HB2 ASP A 69 4.990 -14.092 0.798 1.00 63.24 H new ATOM 0 HB3 ASP A 69 5.765 -13.034 1.960 1.00 63.24 H new ATOM 1078 N GLU A 70 1.349 -13.963 2.008 1.00 15.14 N ATOM 1079 CA GLU A 70 0.230 -14.817 1.632 1.00 34.44 C ATOM 1080 C GLU A 70 -0.149 -14.578 0.173 1.00 74.54 C ATOM 1081 O GLU A 70 -0.105 -13.446 -0.304 1.00 21.12 O ATOM 1082 CB GLU A 70 -0.979 -14.545 2.529 1.00 22.25 C ATOM 1083 CG GLU A 70 -0.714 -14.761 4.012 1.00 1.13 C ATOM 1084 CD GLU A 70 -0.366 -16.196 4.341 1.00 41.33 C ATOM 1085 OE1 GLU A 70 -1.296 -17.006 4.540 1.00 3.25 O ATOM 1086 OE2 GLU A 70 0.830 -16.523 4.397 1.00 31.03 O ATOM 0 H GLU A 70 1.086 -13.017 2.284 1.00 15.14 H new ATOM 0 HA GLU A 70 0.535 -15.856 1.758 1.00 34.44 H new ATOM 0 HB2 GLU A 70 -1.308 -13.517 2.376 1.00 22.25 H new ATOM 0 HB3 GLU A 70 -1.800 -15.192 2.220 1.00 22.25 H new ATOM 0 HG2 GLU A 70 0.102 -14.112 4.329 1.00 1.13 H new ATOM 0 HG3 GLU A 70 -1.596 -14.466 4.581 1.00 1.13 H new ATOM 1093 N PRO A 71 -0.544 -15.640 -0.548 1.00 42.21 N ATOM 1094 CA PRO A 71 -0.896 -15.550 -1.969 1.00 54.53 C ATOM 1095 C PRO A 71 -2.174 -14.750 -2.212 1.00 21.42 C ATOM 1096 O PRO A 71 -2.275 -14.006 -3.185 1.00 71.33 O ATOM 1097 CB PRO A 71 -1.096 -17.013 -2.392 1.00 73.31 C ATOM 1098 CG PRO A 71 -0.484 -17.828 -1.303 1.00 41.35 C ATOM 1099 CD PRO A 71 -0.644 -17.021 -0.050 1.00 41.42 C ATOM 0 HA PRO A 71 -0.124 -15.030 -2.536 1.00 54.53 H new ATOM 0 HB2 PRO A 71 -2.154 -17.247 -2.510 1.00 73.31 H new ATOM 0 HB3 PRO A 71 -0.616 -17.214 -3.350 1.00 73.31 H new ATOM 0 HG2 PRO A 71 -0.980 -18.794 -1.212 1.00 41.35 H new ATOM 0 HG3 PRO A 71 0.568 -18.028 -1.508 1.00 41.35 H new ATOM 0 HD2 PRO A 71 -1.602 -17.209 0.435 1.00 41.42 H new ATOM 0 HD3 PRO A 71 0.133 -17.247 0.680 1.00 41.42 H new ATOM 1107 N GLY A 72 -3.149 -14.911 -1.328 1.00 1.22 N ATOM 1108 CA GLY A 72 -4.409 -14.216 -1.493 1.00 33.01 C ATOM 1109 C GLY A 72 -5.100 -13.943 -0.177 1.00 3.13 C ATOM 1110 O GLY A 72 -6.316 -14.104 -0.060 1.00 31.11 O ATOM 0 H GLY A 72 -3.090 -15.508 -0.503 1.00 1.22 H new ATOM 0 HA2 GLY A 72 -4.234 -13.272 -2.010 1.00 33.01 H new ATOM 0 HA3 GLY A 72 -5.067 -14.810 -2.128 1.00 33.01 H new ATOM 1114 N LYS A 73 -4.330 -13.532 0.819 1.00 12.43 N ATOM 1115 CA LYS A 73 -4.882 -13.259 2.138 1.00 34.25 C ATOM 1116 C LYS A 73 -4.421 -11.890 2.628 1.00 71.20 C ATOM 1117 O LYS A 73 -5.190 -10.929 2.625 1.00 43.43 O ATOM 1118 CB LYS A 73 -4.468 -14.354 3.128 1.00 4.45 C ATOM 1119 CG LYS A 73 -4.734 -15.764 2.615 1.00 14.32 C ATOM 1120 CD LYS A 73 -4.279 -16.825 3.603 1.00 43.12 C ATOM 1121 CE LYS A 73 -4.173 -18.182 2.931 1.00 12.11 C ATOM 1122 NZ LYS A 73 -3.740 -19.247 3.871 1.00 2.35 N ATOM 0 H LYS A 73 -3.324 -13.380 0.740 1.00 12.43 H new ATOM 0 HA LYS A 73 -5.970 -13.254 2.068 1.00 34.25 H new ATOM 0 HB2 LYS A 73 -3.406 -14.250 3.350 1.00 4.45 H new ATOM 0 HB3 LYS A 73 -5.005 -14.209 4.065 1.00 4.45 H new ATOM 0 HG2 LYS A 73 -5.800 -15.884 2.420 1.00 14.32 H new ATOM 0 HG3 LYS A 73 -4.218 -15.908 1.666 1.00 14.32 H new ATOM 0 HD2 LYS A 73 -3.312 -16.546 4.023 1.00 43.12 H new ATOM 0 HD3 LYS A 73 -4.983 -16.880 4.433 1.00 43.12 H new ATOM 0 HE2 LYS A 73 -5.139 -18.449 2.504 1.00 12.11 H new ATOM 0 HE3 LYS A 73 -3.465 -18.121 2.104 1.00 12.11 H new ATOM 0 HZ1 LYS A 73 -3.683 -20.154 3.365 1.00 2.35 H new ATOM 0 HZ2 LYS A 73 -2.806 -19.008 4.260 1.00 2.35 H new ATOM 0 HZ3 LYS A 73 -4.428 -19.326 4.647 1.00 2.35 H new ATOM 1136 N ARG A 74 -3.161 -11.798 3.030 1.00 23.41 N ATOM 1137 CA ARG A 74 -2.599 -10.537 3.486 1.00 41.40 C ATOM 1138 C ARG A 74 -1.102 -10.512 3.220 1.00 10.11 C ATOM 1139 O ARG A 74 -0.453 -11.557 3.205 1.00 62.51 O ATOM 1140 CB ARG A 74 -2.843 -10.338 4.989 1.00 41.50 C ATOM 1141 CG ARG A 74 -1.939 -11.196 5.863 1.00 31.24 C ATOM 1142 CD ARG A 74 -2.123 -10.901 7.341 1.00 54.34 C ATOM 1143 NE ARG A 74 -3.417 -11.349 7.842 1.00 23.34 N ATOM 1144 CZ ARG A 74 -3.585 -11.954 9.014 1.00 62.03 C ATOM 1145 NH1 ARG A 74 -2.538 -12.227 9.787 1.00 74.32 N ATOM 1146 NH2 ARG A 74 -4.801 -12.301 9.406 1.00 75.22 N ATOM 0 H ARG A 74 -2.509 -12.583 3.049 1.00 23.41 H new ATOM 0 HA ARG A 74 -3.089 -9.732 2.939 1.00 41.40 H new ATOM 0 HB2 ARG A 74 -2.689 -9.288 5.239 1.00 41.50 H new ATOM 0 HB3 ARG A 74 -3.884 -10.571 5.215 1.00 41.50 H new ATOM 0 HG2 ARG A 74 -2.148 -12.249 5.676 1.00 31.24 H new ATOM 0 HG3 ARG A 74 -0.899 -11.024 5.586 1.00 31.24 H new ATOM 0 HD2 ARG A 74 -1.329 -11.388 7.907 1.00 54.34 H new ATOM 0 HD3 ARG A 74 -2.023 -9.829 7.510 1.00 54.34 H new ATOM 0 HE ARG A 74 -4.240 -11.189 7.261 1.00 23.34 H new ATOM 0 HH11 ARG A 74 -1.599 -11.972 9.482 1.00 74.32 H new ATOM 0 HH12 ARG A 74 -2.674 -12.691 10.685 1.00 74.32 H new ATOM 0 HH21 ARG A 74 -5.605 -12.104 8.810 1.00 75.22 H new ATOM 0 HH22 ARG A 74 -4.934 -12.765 10.304 1.00 75.22 H new ATOM 1160 N ILE A 75 -0.565 -9.328 3.000 1.00 32.21 N ATOM 1161 CA ILE A 75 0.870 -9.148 2.912 1.00 11.45 C ATOM 1162 C ILE A 75 1.275 -7.927 3.720 1.00 32.43 C ATOM 1163 O ILE A 75 0.961 -6.792 3.360 1.00 31.35 O ATOM 1164 CB ILE A 75 1.358 -9.004 1.448 1.00 33.24 C ATOM 1165 CG1 ILE A 75 1.111 -10.311 0.686 1.00 21.20 C ATOM 1166 CG2 ILE A 75 2.838 -8.634 1.405 1.00 31.02 C ATOM 1167 CD1 ILE A 75 1.517 -10.266 -0.771 1.00 70.24 C ATOM 0 H ILE A 75 -1.105 -8.471 2.878 1.00 32.21 H new ATOM 0 HA ILE A 75 1.343 -10.042 3.319 1.00 11.45 H new ATOM 0 HB ILE A 75 0.795 -8.202 0.970 1.00 33.24 H new ATOM 0 HG12 ILE A 75 1.658 -11.115 1.179 1.00 21.20 H new ATOM 0 HG13 ILE A 75 0.052 -10.560 0.749 1.00 21.20 H new ATOM 0 HG21 ILE A 75 3.159 -8.538 0.368 1.00 31.02 H new ATOM 0 HG22 ILE A 75 2.991 -7.686 1.921 1.00 31.02 H new ATOM 0 HG23 ILE A 75 3.422 -9.413 1.895 1.00 31.02 H new ATOM 0 HD11 ILE A 75 1.309 -11.229 -1.237 1.00 70.24 H new ATOM 0 HD12 ILE A 75 0.952 -9.487 -1.282 1.00 70.24 H new ATOM 0 HD13 ILE A 75 2.583 -10.050 -0.845 1.00 70.24 H new ATOM 1179 N ALA A 76 1.943 -8.166 4.831 1.00 54.54 N ATOM 1180 CA ALA A 76 2.419 -7.083 5.663 1.00 33.42 C ATOM 1181 C ALA A 76 3.868 -6.796 5.327 1.00 25.40 C ATOM 1182 O ALA A 76 4.749 -7.643 5.516 1.00 43.34 O ATOM 1183 CB ALA A 76 2.248 -7.419 7.134 1.00 63.12 C ATOM 0 H ALA A 76 2.167 -9.099 5.177 1.00 54.54 H new ATOM 0 HA ALA A 76 1.829 -6.188 5.466 1.00 33.42 H new ATOM 0 HB1 ALA A 76 2.613 -6.590 7.741 1.00 63.12 H new ATOM 0 HB2 ALA A 76 1.193 -7.589 7.348 1.00 63.12 H new ATOM 0 HB3 ALA A 76 2.816 -8.319 7.370 1.00 63.12 H new ATOM 1189 N TRP A 77 4.104 -5.606 4.821 1.00 4.44 N ATOM 1190 CA TRP A 77 5.404 -5.237 4.308 1.00 44.45 C ATOM 1191 C TRP A 77 6.321 -4.817 5.443 1.00 62.43 C ATOM 1192 O TRP A 77 5.863 -4.368 6.497 1.00 74.51 O ATOM 1193 CB TRP A 77 5.243 -4.104 3.303 1.00 22.50 C ATOM 1194 CG TRP A 77 6.457 -3.826 2.474 1.00 70.43 C ATOM 1195 CD1 TRP A 77 7.031 -4.662 1.562 1.00 23.54 C ATOM 1196 CD2 TRP A 77 7.231 -2.622 2.461 1.00 71.24 C ATOM 1197 NE1 TRP A 77 8.121 -4.058 0.991 1.00 52.02 N ATOM 1198 CE2 TRP A 77 8.264 -2.804 1.525 1.00 32.34 C ATOM 1199 CE3 TRP A 77 7.154 -1.410 3.156 1.00 73.31 C ATOM 1200 CZ2 TRP A 77 9.212 -1.816 1.262 1.00 2.40 C ATOM 1201 CZ3 TRP A 77 8.093 -0.431 2.893 1.00 5.31 C ATOM 1202 CH2 TRP A 77 9.110 -0.640 1.953 1.00 61.11 C ATOM 0 H TRP A 77 3.402 -4.869 4.754 1.00 4.44 H new ATOM 0 HA TRP A 77 5.854 -6.096 3.811 1.00 44.45 H new ATOM 0 HB2 TRP A 77 4.413 -4.342 2.638 1.00 22.50 H new ATOM 0 HB3 TRP A 77 4.971 -3.196 3.841 1.00 22.50 H new ATOM 0 HD1 TRP A 77 6.678 -5.655 1.324 1.00 23.54 H new ATOM 0 HE1 TRP A 77 8.727 -4.474 0.284 1.00 52.02 H new ATOM 0 HE3 TRP A 77 6.375 -1.243 3.885 1.00 73.31 H new ATOM 0 HZ2 TRP A 77 9.998 -1.974 0.539 1.00 2.40 H new ATOM 0 HZ3 TRP A 77 8.042 0.510 3.421 1.00 5.31 H new ATOM 0 HH2 TRP A 77 9.829 0.144 1.770 1.00 61.11 H new ATOM 1213 N ARG A 78 7.611 -4.968 5.224 1.00 5.33 N ATOM 1214 CA ARG A 78 8.602 -4.637 6.224 1.00 24.21 C ATOM 1215 C ARG A 78 9.791 -3.977 5.540 1.00 11.44 C ATOM 1216 O ARG A 78 9.837 -3.894 4.316 1.00 4.11 O ATOM 1217 CB ARG A 78 9.043 -5.905 6.969 1.00 33.51 C ATOM 1218 CG ARG A 78 9.800 -5.627 8.250 1.00 51.14 C ATOM 1219 CD ARG A 78 10.325 -6.905 8.886 1.00 43.53 C ATOM 1220 NE ARG A 78 10.861 -6.660 10.222 1.00 14.43 N ATOM 1221 CZ ARG A 78 11.423 -7.596 10.982 1.00 21.31 C ATOM 1222 NH1 ARG A 78 11.602 -8.826 10.518 1.00 62.10 N ATOM 1223 NH2 ARG A 78 11.826 -7.292 12.203 1.00 13.52 N ATOM 0 H ARG A 78 8.000 -5.323 4.350 1.00 5.33 H new ATOM 0 HA ARG A 78 8.176 -3.947 6.952 1.00 24.21 H new ATOM 0 HB2 ARG A 78 8.162 -6.504 7.201 1.00 33.51 H new ATOM 0 HB3 ARG A 78 9.671 -6.503 6.309 1.00 33.51 H new ATOM 0 HG2 ARG A 78 10.633 -4.956 8.041 1.00 51.14 H new ATOM 0 HG3 ARG A 78 9.146 -5.113 8.954 1.00 51.14 H new ATOM 0 HD2 ARG A 78 9.522 -7.639 8.945 1.00 43.53 H new ATOM 0 HD3 ARG A 78 11.103 -7.333 8.254 1.00 43.53 H new ATOM 0 HE ARG A 78 10.801 -5.713 10.596 1.00 14.43 H new ATOM 0 HH11 ARG A 78 11.308 -9.061 9.570 1.00 62.10 H new ATOM 0 HH12 ARG A 78 12.034 -9.536 11.109 1.00 62.10 H new ATOM 0 HH21 ARG A 78 11.706 -6.344 12.558 1.00 13.52 H new ATOM 0 HH22 ARG A 78 12.258 -8.006 12.790 1.00 13.52 H new ATOM 1237 N SER A 79 10.734 -3.485 6.316 1.00 31.11 N ATOM 1238 CA SER A 79 11.943 -2.929 5.755 1.00 34.22 C ATOM 1239 C SER A 79 13.150 -3.414 6.541 1.00 31.50 C ATOM 1240 O SER A 79 13.042 -3.742 7.720 1.00 35.32 O ATOM 1241 CB SER A 79 11.877 -1.402 5.759 1.00 44.45 C ATOM 1242 OG SER A 79 10.750 -0.940 5.038 1.00 41.34 O ATOM 0 H SER A 79 10.685 -3.460 7.335 1.00 31.11 H new ATOM 0 HA SER A 79 12.041 -3.264 4.722 1.00 34.22 H new ATOM 0 HB2 SER A 79 11.830 -1.039 6.786 1.00 44.45 H new ATOM 0 HB3 SER A 79 12.787 -0.994 5.319 1.00 44.45 H new ATOM 0 HG SER A 79 10.729 0.040 5.056 1.00 41.34 H new ATOM 1248 N LEU A 80 14.290 -3.476 5.879 1.00 71.02 N ATOM 1249 CA LEU A 80 15.512 -3.932 6.513 1.00 63.34 C ATOM 1250 C LEU A 80 16.121 -2.833 7.379 1.00 60.43 C ATOM 1251 O LEU A 80 16.013 -1.649 7.053 1.00 0.31 O ATOM 1252 CB LEU A 80 16.502 -4.395 5.444 1.00 10.34 C ATOM 1253 CG LEU A 80 16.146 -5.731 4.792 1.00 55.31 C ATOM 1254 CD1 LEU A 80 16.973 -5.970 3.552 1.00 12.44 C ATOM 1255 CD2 LEU A 80 16.366 -6.860 5.771 1.00 63.44 C ATOM 0 H LEU A 80 14.395 -3.215 4.899 1.00 71.02 H new ATOM 0 HA LEU A 80 15.278 -4.772 7.166 1.00 63.34 H new ATOM 0 HB2 LEU A 80 16.565 -3.631 4.669 1.00 10.34 H new ATOM 0 HB3 LEU A 80 17.492 -4.476 5.893 1.00 10.34 H new ATOM 0 HG LEU A 80 15.095 -5.695 4.505 1.00 55.31 H new ATOM 0 HD11 LEU A 80 16.698 -6.928 3.110 1.00 12.44 H new ATOM 0 HD12 LEU A 80 16.789 -5.172 2.833 1.00 12.44 H new ATOM 0 HD13 LEU A 80 18.030 -5.983 3.817 1.00 12.44 H new ATOM 0 HD21 LEU A 80 16.110 -7.808 5.297 1.00 63.44 H new ATOM 0 HD22 LEU A 80 17.412 -6.878 6.076 1.00 63.44 H new ATOM 0 HD23 LEU A 80 15.735 -6.710 6.647 1.00 63.44 H new ATOM 1267 N PRO A 81 16.752 -3.214 8.503 1.00 21.22 N ATOM 1268 CA PRO A 81 17.399 -2.269 9.428 1.00 23.11 C ATOM 1269 C PRO A 81 18.465 -1.422 8.740 1.00 72.44 C ATOM 1270 O PRO A 81 18.684 -0.265 9.101 1.00 55.34 O ATOM 1271 CB PRO A 81 18.040 -3.179 10.481 1.00 54.10 C ATOM 1272 CG PRO A 81 17.259 -4.443 10.417 1.00 25.02 C ATOM 1273 CD PRO A 81 16.868 -4.606 8.978 1.00 30.45 C ATOM 0 HA PRO A 81 16.687 -1.554 9.840 1.00 23.11 H new ATOM 0 HB2 PRO A 81 19.094 -3.354 10.264 1.00 54.10 H new ATOM 0 HB3 PRO A 81 17.989 -2.732 11.474 1.00 54.10 H new ATOM 0 HG2 PRO A 81 17.855 -5.289 10.759 1.00 25.02 H new ATOM 0 HG3 PRO A 81 16.379 -4.393 11.059 1.00 25.02 H new ATOM 0 HD2 PRO A 81 17.619 -5.162 8.417 1.00 30.45 H new ATOM 0 HD3 PRO A 81 15.927 -5.147 8.875 1.00 30.45 H new ATOM 1281 N GLY A 82 19.117 -2.004 7.742 1.00 53.44 N ATOM 1282 CA GLY A 82 20.134 -1.290 6.994 1.00 30.11 C ATOM 1283 C GLY A 82 19.538 -0.395 5.924 1.00 62.54 C ATOM 1284 O GLY A 82 20.251 0.357 5.263 1.00 20.22 O ATOM 0 H GLY A 82 18.958 -2.964 7.436 1.00 53.44 H new ATOM 0 HA2 GLY A 82 20.730 -0.687 7.679 1.00 30.11 H new ATOM 0 HA3 GLY A 82 20.811 -2.007 6.530 1.00 30.11 H new ATOM 1288 N ALA A 83 18.224 -0.477 5.754 1.00 31.32 N ATOM 1289 CA ALA A 83 17.530 0.347 4.778 1.00 72.54 C ATOM 1290 C ALA A 83 17.011 1.616 5.434 1.00 35.11 C ATOM 1291 O ALA A 83 17.468 2.715 5.122 1.00 3.11 O ATOM 1292 CB ALA A 83 16.383 -0.421 4.135 1.00 5.30 C ATOM 0 H ALA A 83 17.619 -1.107 6.281 1.00 31.32 H new ATOM 0 HA ALA A 83 18.239 0.618 3.996 1.00 72.54 H new ATOM 0 HB1 ALA A 83 15.880 0.217 3.409 1.00 5.30 H new ATOM 0 HB2 ALA A 83 16.774 -1.305 3.632 1.00 5.30 H new ATOM 0 HB3 ALA A 83 15.673 -0.726 4.904 1.00 5.30 H new ATOM 1298 N ARG A 84 16.069 1.452 6.365 1.00 20.43 N ATOM 1299 CA ARG A 84 15.468 2.590 7.051 1.00 43.20 C ATOM 1300 C ARG A 84 14.468 2.127 8.105 1.00 11.14 C ATOM 1301 O ARG A 84 14.556 2.534 9.261 1.00 63.12 O ATOM 1302 CB ARG A 84 14.770 3.506 6.047 1.00 0.40 C ATOM 1303 CG ARG A 84 14.385 4.860 6.614 1.00 3.14 C ATOM 1304 CD ARG A 84 13.832 5.759 5.528 1.00 4.12 C ATOM 1305 NE ARG A 84 13.652 7.134 5.987 1.00 42.54 N ATOM 1306 CZ ARG A 84 14.042 8.202 5.296 1.00 41.23 C ATOM 1307 NH1 ARG A 84 14.698 8.059 4.150 1.00 44.45 N ATOM 1308 NH2 ARG A 84 13.806 9.414 5.776 1.00 23.14 N ATOM 0 H ARG A 84 15.709 0.544 6.658 1.00 20.43 H new ATOM 0 HA ARG A 84 16.266 3.142 7.548 1.00 43.20 H new ATOM 0 HB2 ARG A 84 15.426 3.655 5.189 1.00 0.40 H new ATOM 0 HB3 ARG A 84 13.873 3.009 5.679 1.00 0.40 H new ATOM 0 HG2 ARG A 84 13.641 4.732 7.400 1.00 3.14 H new ATOM 0 HG3 ARG A 84 15.256 5.329 7.072 1.00 3.14 H new ATOM 0 HD2 ARG A 84 14.507 5.749 4.672 1.00 4.12 H new ATOM 0 HD3 ARG A 84 12.876 5.365 5.184 1.00 4.12 H new ATOM 0 HE ARG A 84 13.201 7.284 6.890 1.00 42.54 H new ATOM 0 HH11 ARG A 84 14.906 7.126 3.794 1.00 44.45 H new ATOM 0 HH12 ARG A 84 14.994 8.882 3.626 1.00 44.45 H new ATOM 0 HH21 ARG A 84 13.328 9.524 6.670 1.00 23.14 H new ATOM 0 HH22 ARG A 84 14.102 10.237 5.251 1.00 23.14 H new ATOM 1322 N ILE A 85 13.511 1.291 7.674 1.00 0.04 N ATOM 1323 CA ILE A 85 12.451 0.735 8.536 1.00 54.45 C ATOM 1324 C ILE A 85 11.825 1.810 9.450 1.00 21.12 C ATOM 1325 O ILE A 85 11.504 1.575 10.614 1.00 40.44 O ATOM 1326 CB ILE A 85 12.946 -0.505 9.350 1.00 74.20 C ATOM 1327 CG1 ILE A 85 11.750 -1.261 9.947 1.00 33.10 C ATOM 1328 CG2 ILE A 85 13.937 -0.124 10.446 1.00 41.24 C ATOM 1329 CD1 ILE A 85 12.135 -2.515 10.707 1.00 51.33 C ATOM 0 H ILE A 85 13.449 0.977 6.706 1.00 0.04 H new ATOM 0 HA ILE A 85 11.661 0.383 7.873 1.00 54.45 H new ATOM 0 HB ILE A 85 13.475 -1.157 8.655 1.00 74.20 H new ATOM 0 HG12 ILE A 85 11.208 -0.593 10.617 1.00 33.10 H new ATOM 0 HG13 ILE A 85 11.065 -1.531 9.143 1.00 33.10 H new ATOM 0 HG21 ILE A 85 14.250 -1.020 10.981 1.00 41.24 H new ATOM 0 HG22 ILE A 85 14.808 0.354 9.998 1.00 41.24 H new ATOM 0 HG23 ILE A 85 13.462 0.567 11.142 1.00 41.24 H new ATOM 0 HD11 ILE A 85 11.237 -2.993 11.098 1.00 51.33 H new ATOM 0 HD12 ILE A 85 12.650 -3.203 10.037 1.00 51.33 H new ATOM 0 HD13 ILE A 85 12.795 -2.251 11.533 1.00 51.33 H new ATOM 1341 N GLU A 86 11.614 2.992 8.880 1.00 23.43 N ATOM 1342 CA GLU A 86 11.034 4.114 9.614 1.00 22.20 C ATOM 1343 C GLU A 86 9.536 4.213 9.342 1.00 52.34 C ATOM 1344 O GLU A 86 8.829 5.038 9.926 1.00 14.14 O ATOM 1345 CB GLU A 86 11.735 5.411 9.202 1.00 54.34 C ATOM 1346 CG GLU A 86 12.483 6.097 10.336 1.00 50.32 C ATOM 1347 CD GLU A 86 11.563 6.834 11.287 1.00 1.34 C ATOM 1348 OE1 GLU A 86 11.204 7.994 10.990 1.00 51.11 O ATOM 1349 OE2 GLU A 86 11.193 6.266 12.334 1.00 25.20 O ATOM 0 H GLU A 86 11.837 3.199 7.907 1.00 23.43 H new ATOM 0 HA GLU A 86 11.177 3.952 10.682 1.00 22.20 H new ATOM 0 HB2 GLU A 86 12.437 5.193 8.397 1.00 54.34 H new ATOM 0 HB3 GLU A 86 10.993 6.101 8.800 1.00 54.34 H new ATOM 0 HG2 GLU A 86 13.052 5.352 10.893 1.00 50.32 H new ATOM 0 HG3 GLU A 86 13.203 6.800 9.917 1.00 50.32 H new ATOM 1356 N ASN A 87 9.060 3.359 8.453 1.00 32.12 N ATOM 1357 CA ASN A 87 7.665 3.363 8.044 1.00 22.43 C ATOM 1358 C ASN A 87 7.120 1.943 8.012 1.00 23.31 C ATOM 1359 O ASN A 87 7.867 0.980 8.195 1.00 71.33 O ATOM 1360 CB ASN A 87 7.502 4.009 6.661 1.00 30.13 C ATOM 1361 CG ASN A 87 8.290 3.296 5.570 1.00 45.22 C ATOM 1362 OD1 ASN A 87 9.380 2.770 5.805 1.00 51.23 O ATOM 1363 ND2 ASN A 87 7.742 3.270 4.367 1.00 34.03 N ATOM 0 H ASN A 87 9.627 2.645 7.995 1.00 32.12 H new ATOM 0 HA ASN A 87 7.103 3.948 8.772 1.00 22.43 H new ATOM 0 HB2 ASN A 87 6.446 4.015 6.392 1.00 30.13 H new ATOM 0 HB3 ASN A 87 7.824 5.049 6.712 1.00 30.13 H new ATOM 0 HD21 ASN A 87 8.223 2.804 3.597 1.00 34.03 H new ATOM 0 HD22 ASN A 87 6.838 3.716 4.208 1.00 34.03 H new ATOM 1370 N SER A 88 5.819 1.813 7.804 1.00 74.04 N ATOM 1371 CA SER A 88 5.192 0.506 7.708 1.00 52.54 C ATOM 1372 C SER A 88 4.003 0.549 6.752 1.00 61.14 C ATOM 1373 O SER A 88 3.305 1.562 6.658 1.00 41.13 O ATOM 1374 CB SER A 88 4.743 0.036 9.093 1.00 74.01 C ATOM 1375 OG SER A 88 5.836 0.007 9.998 1.00 5.33 O ATOM 0 H SER A 88 5.177 2.598 7.698 1.00 74.04 H new ATOM 0 HA SER A 88 5.922 -0.201 7.315 1.00 52.54 H new ATOM 0 HB2 SER A 88 3.968 0.702 9.474 1.00 74.01 H new ATOM 0 HB3 SER A 88 4.301 -0.958 9.018 1.00 74.01 H new ATOM 0 HG SER A 88 5.525 -0.295 10.877 1.00 5.33 H new ATOM 1381 N GLY A 89 3.798 -0.546 6.032 1.00 54.02 N ATOM 1382 CA GLY A 89 2.672 -0.648 5.129 1.00 44.04 C ATOM 1383 C GLY A 89 2.092 -2.047 5.128 1.00 25.12 C ATOM 1384 O GLY A 89 2.802 -3.018 4.868 1.00 75.33 O ATOM 0 H GLY A 89 4.398 -1.371 6.059 1.00 54.02 H new ATOM 0 HA2 GLY A 89 1.903 0.067 5.422 1.00 44.04 H new ATOM 0 HA3 GLY A 89 2.987 -0.382 4.120 1.00 44.04 H new ATOM 1388 N GLU A 90 0.811 -2.158 5.436 1.00 60.50 N ATOM 1389 CA GLU A 90 0.163 -3.459 5.520 1.00 34.22 C ATOM 1390 C GLU A 90 -0.945 -3.563 4.477 1.00 33.52 C ATOM 1391 O GLU A 90 -1.874 -2.752 4.464 1.00 43.10 O ATOM 1392 CB GLU A 90 -0.391 -3.668 6.934 1.00 1.05 C ATOM 1393 CG GLU A 90 -0.732 -5.112 7.261 1.00 13.05 C ATOM 1394 CD GLU A 90 -1.012 -5.316 8.738 1.00 24.30 C ATOM 1395 OE1 GLU A 90 -0.043 -5.466 9.518 1.00 74.22 O ATOM 1396 OE2 GLU A 90 -2.196 -5.316 9.129 1.00 60.53 O ATOM 0 H GLU A 90 0.199 -1.366 5.632 1.00 60.50 H new ATOM 0 HA GLU A 90 0.893 -4.242 5.315 1.00 34.22 H new ATOM 0 HB2 GLU A 90 0.341 -3.307 7.656 1.00 1.05 H new ATOM 0 HB3 GLU A 90 -1.286 -3.058 7.055 1.00 1.05 H new ATOM 0 HG2 GLU A 90 -1.604 -5.417 6.682 1.00 13.05 H new ATOM 0 HG3 GLU A 90 0.093 -5.756 6.957 1.00 13.05 H new ATOM 1403 N VAL A 91 -0.829 -4.547 3.589 1.00 54.20 N ATOM 1404 CA VAL A 91 -1.795 -4.729 2.510 1.00 53.33 C ATOM 1405 C VAL A 91 -2.589 -6.006 2.688 1.00 3.15 C ATOM 1406 O VAL A 91 -2.040 -7.107 2.729 1.00 50.24 O ATOM 1407 CB VAL A 91 -1.114 -4.746 1.125 1.00 74.42 C ATOM 1408 CG1 VAL A 91 -2.092 -5.120 0.020 1.00 14.41 C ATOM 1409 CG2 VAL A 91 -0.491 -3.396 0.842 1.00 25.43 C ATOM 0 H VAL A 91 -0.073 -5.232 3.596 1.00 54.20 H new ATOM 0 HA VAL A 91 -2.472 -3.876 2.557 1.00 53.33 H new ATOM 0 HB VAL A 91 -0.335 -5.508 1.143 1.00 74.42 H new ATOM 0 HG11 VAL A 91 -1.574 -5.121 -0.939 1.00 14.41 H new ATOM 0 HG12 VAL A 91 -2.498 -6.113 0.214 1.00 14.41 H new ATOM 0 HG13 VAL A 91 -2.905 -4.395 -0.007 1.00 14.41 H new ATOM 0 HG21 VAL A 91 -0.012 -3.414 -0.137 1.00 25.43 H new ATOM 0 HG22 VAL A 91 -1.265 -2.629 0.853 1.00 25.43 H new ATOM 0 HG23 VAL A 91 0.253 -3.171 1.606 1.00 25.43 H new ATOM 1419 N LEU A 92 -3.883 -5.845 2.804 1.00 4.32 N ATOM 1420 CA LEU A 92 -4.786 -6.975 2.897 1.00 22.21 C ATOM 1421 C LEU A 92 -5.516 -7.173 1.576 1.00 13.31 C ATOM 1422 O LEU A 92 -6.140 -6.247 1.055 1.00 63.21 O ATOM 1423 CB LEU A 92 -5.788 -6.772 4.036 1.00 74.23 C ATOM 1424 CG LEU A 92 -5.355 -7.288 5.414 1.00 43.15 C ATOM 1425 CD1 LEU A 92 -3.969 -6.788 5.796 1.00 13.15 C ATOM 1426 CD2 LEU A 92 -6.369 -6.865 6.458 1.00 3.52 C ATOM 0 H LEU A 92 -4.343 -4.935 2.837 1.00 4.32 H new ATOM 0 HA LEU A 92 -4.201 -7.869 3.112 1.00 22.21 H new ATOM 0 HB2 LEU A 92 -6.001 -5.706 4.120 1.00 74.23 H new ATOM 0 HB3 LEU A 92 -6.722 -7.263 3.763 1.00 74.23 H new ATOM 0 HG LEU A 92 -5.308 -8.376 5.366 1.00 43.15 H new ATOM 0 HD11 LEU A 92 -3.700 -7.176 6.778 1.00 13.15 H new ATOM 0 HD12 LEU A 92 -3.243 -7.131 5.059 1.00 13.15 H new ATOM 0 HD13 LEU A 92 -3.970 -5.698 5.824 1.00 13.15 H new ATOM 0 HD21 LEU A 92 -6.059 -7.233 7.436 1.00 3.52 H new ATOM 0 HD22 LEU A 92 -6.433 -5.777 6.483 1.00 3.52 H new ATOM 0 HD23 LEU A 92 -7.345 -7.280 6.207 1.00 3.52 H new ATOM 1438 N PHE A 93 -5.421 -8.373 1.028 1.00 32.34 N ATOM 1439 CA PHE A 93 -6.083 -8.684 -0.228 1.00 63.32 C ATOM 1440 C PHE A 93 -7.484 -9.201 0.043 1.00 4.03 C ATOM 1441 O PHE A 93 -7.668 -10.324 0.516 1.00 3.22 O ATOM 1442 CB PHE A 93 -5.273 -9.707 -1.030 1.00 41.33 C ATOM 1443 CG PHE A 93 -3.941 -9.183 -1.478 1.00 15.13 C ATOM 1444 CD1 PHE A 93 -3.864 -8.200 -2.449 1.00 24.01 C ATOM 1445 CD2 PHE A 93 -2.771 -9.668 -0.925 1.00 33.13 C ATOM 1446 CE1 PHE A 93 -2.641 -7.709 -2.861 1.00 10.44 C ATOM 1447 CE2 PHE A 93 -1.546 -9.179 -1.331 1.00 62.21 C ATOM 1448 CZ PHE A 93 -1.481 -8.200 -2.302 1.00 74.40 C ATOM 0 H PHE A 93 -4.893 -9.146 1.432 1.00 32.34 H new ATOM 0 HA PHE A 93 -6.153 -7.773 -0.823 1.00 63.32 H new ATOM 0 HB2 PHE A 93 -5.120 -10.598 -0.421 1.00 41.33 H new ATOM 0 HB3 PHE A 93 -5.849 -10.013 -1.904 1.00 41.33 H new ATOM 0 HD1 PHE A 93 -4.771 -7.813 -2.890 1.00 24.01 H new ATOM 0 HD2 PHE A 93 -2.816 -10.437 -0.168 1.00 33.13 H new ATOM 0 HE1 PHE A 93 -2.594 -6.942 -3.620 1.00 10.44 H new ATOM 0 HE2 PHE A 93 -0.638 -9.562 -0.889 1.00 62.21 H new ATOM 0 HZ PHE A 93 -0.523 -7.819 -2.623 1.00 74.40 H new ATOM 1458 N ARG A 94 -8.470 -8.367 -0.236 1.00 71.43 N ATOM 1459 CA ARG A 94 -9.851 -8.704 0.052 1.00 21.04 C ATOM 1460 C ARG A 94 -10.720 -8.535 -1.189 1.00 13.20 C ATOM 1461 O ARG A 94 -10.498 -7.629 -1.996 1.00 42.33 O ATOM 1462 CB ARG A 94 -10.377 -7.827 1.194 1.00 22.10 C ATOM 1463 CG ARG A 94 -10.257 -6.336 0.923 1.00 32.01 C ATOM 1464 CD ARG A 94 -10.828 -5.508 2.060 1.00 45.32 C ATOM 1465 NE ARG A 94 -10.935 -4.099 1.689 1.00 53.11 N ATOM 1466 CZ ARG A 94 -11.237 -3.121 2.536 1.00 53.14 C ATOM 1467 NH1 ARG A 94 -11.449 -3.388 3.818 1.00 13.44 N ATOM 1468 NH2 ARG A 94 -11.345 -1.877 2.092 1.00 1.12 N ATOM 0 H ARG A 94 -8.339 -7.450 -0.663 1.00 71.43 H new ATOM 0 HA ARG A 94 -9.895 -9.749 0.358 1.00 21.04 H new ATOM 0 HB2 ARG A 94 -11.424 -8.071 1.376 1.00 22.10 H new ATOM 0 HB3 ARG A 94 -9.831 -8.067 2.106 1.00 22.10 H new ATOM 0 HG2 ARG A 94 -9.209 -6.077 0.776 1.00 32.01 H new ATOM 0 HG3 ARG A 94 -10.779 -6.092 -0.002 1.00 32.01 H new ATOM 0 HD2 ARG A 94 -11.812 -5.890 2.333 1.00 45.32 H new ATOM 0 HD3 ARG A 94 -10.192 -5.607 2.940 1.00 45.32 H new ATOM 0 HE ARG A 94 -10.767 -3.849 0.714 1.00 53.11 H new ATOM 0 HH11 ARG A 94 -11.380 -4.347 4.157 1.00 13.44 H new ATOM 0 HH12 ARG A 94 -11.681 -2.634 4.464 1.00 13.44 H new ATOM 0 HH21 ARG A 94 -11.196 -1.674 1.104 1.00 1.12 H new ATOM 0 HH22 ARG A 94 -11.577 -1.123 2.739 1.00 1.12 H new ATOM 1482 N PRO A 95 -11.716 -9.415 -1.360 1.00 71.51 N ATOM 1483 CA PRO A 95 -12.660 -9.332 -2.474 1.00 22.14 C ATOM 1484 C PRO A 95 -13.472 -8.044 -2.423 1.00 3.35 C ATOM 1485 O PRO A 95 -14.076 -7.715 -1.397 1.00 74.44 O ATOM 1486 CB PRO A 95 -13.575 -10.546 -2.276 1.00 11.53 C ATOM 1487 CG PRO A 95 -12.821 -11.457 -1.372 1.00 32.14 C ATOM 1488 CD PRO A 95 -11.992 -10.568 -0.493 1.00 62.14 C ATOM 0 HA PRO A 95 -12.154 -9.329 -3.439 1.00 22.14 H new ATOM 0 HB2 PRO A 95 -14.528 -10.254 -1.835 1.00 11.53 H new ATOM 0 HB3 PRO A 95 -13.799 -11.030 -3.227 1.00 11.53 H new ATOM 0 HG2 PRO A 95 -13.500 -12.069 -0.779 1.00 32.14 H new ATOM 0 HG3 PRO A 95 -12.191 -12.140 -1.942 1.00 32.14 H new ATOM 0 HD2 PRO A 95 -12.530 -10.276 0.409 1.00 62.14 H new ATOM 0 HD3 PRO A 95 -11.074 -11.060 -0.171 1.00 62.14 H new ATOM 1496 N ALA A 96 -13.474 -7.315 -3.524 1.00 5.54 N ATOM 1497 CA ALA A 96 -14.191 -6.054 -3.601 1.00 71.23 C ATOM 1498 C ALA A 96 -15.696 -6.301 -3.582 1.00 52.35 C ATOM 1499 O ALA A 96 -16.162 -7.328 -4.086 1.00 55.03 O ATOM 1500 CB ALA A 96 -13.776 -5.289 -4.847 1.00 52.14 C ATOM 0 H ALA A 96 -12.985 -7.575 -4.381 1.00 5.54 H new ATOM 0 HA ALA A 96 -13.937 -5.447 -2.732 1.00 71.23 H new ATOM 0 HB1 ALA A 96 -14.320 -4.346 -4.893 1.00 52.14 H new ATOM 0 HB2 ALA A 96 -12.705 -5.088 -4.811 1.00 52.14 H new ATOM 0 HB3 ALA A 96 -14.004 -5.883 -5.732 1.00 52.14 H new ATOM 1506 N PRO A 97 -16.465 -5.375 -2.983 1.00 14.53 N ATOM 1507 CA PRO A 97 -17.920 -5.498 -2.836 1.00 44.14 C ATOM 1508 C PRO A 97 -18.621 -5.891 -4.131 1.00 4.03 C ATOM 1509 O PRO A 97 -18.422 -5.267 -5.177 1.00 0.40 O ATOM 1510 CB PRO A 97 -18.371 -4.098 -2.403 1.00 61.04 C ATOM 1511 CG PRO A 97 -17.168 -3.221 -2.518 1.00 44.51 C ATOM 1512 CD PRO A 97 -15.979 -4.124 -2.393 1.00 30.14 C ATOM 0 HA PRO A 97 -18.173 -6.285 -2.125 1.00 44.14 H new ATOM 0 HB2 PRO A 97 -19.180 -3.735 -3.038 1.00 61.04 H new ATOM 0 HB3 PRO A 97 -18.749 -4.109 -1.381 1.00 61.04 H new ATOM 0 HG2 PRO A 97 -17.159 -2.696 -3.473 1.00 44.51 H new ATOM 0 HG3 PRO A 97 -17.164 -2.461 -1.736 1.00 44.51 H new ATOM 0 HD2 PRO A 97 -15.114 -3.732 -2.929 1.00 30.14 H new ATOM 0 HD3 PRO A 97 -15.678 -4.256 -1.354 1.00 30.14 H new ATOM 1520 N GLY A 98 -19.428 -6.941 -4.055 1.00 43.24 N ATOM 1521 CA GLY A 98 -20.193 -7.380 -5.203 1.00 54.44 C ATOM 1522 C GLY A 98 -19.365 -8.197 -6.171 1.00 14.41 C ATOM 1523 O GLY A 98 -19.716 -8.315 -7.344 1.00 12.30 O ATOM 0 H GLY A 98 -19.566 -7.499 -3.212 1.00 43.24 H new ATOM 0 HA2 GLY A 98 -21.042 -7.974 -4.865 1.00 54.44 H new ATOM 0 HA3 GLY A 98 -20.598 -6.510 -5.720 1.00 54.44 H new ATOM 1527 N ALA A 99 -18.254 -8.742 -5.673 1.00 2.12 N ATOM 1528 CA ALA A 99 -17.362 -9.588 -6.470 1.00 4.21 C ATOM 1529 C ALA A 99 -16.874 -8.859 -7.719 1.00 32.42 C ATOM 1530 O ALA A 99 -16.650 -9.469 -8.766 1.00 65.13 O ATOM 1531 CB ALA A 99 -18.062 -10.891 -6.843 1.00 13.13 C ATOM 0 H ALA A 99 -17.947 -8.611 -4.709 1.00 2.12 H new ATOM 0 HA ALA A 99 -16.487 -9.823 -5.863 1.00 4.21 H new ATOM 0 HB1 ALA A 99 -17.388 -11.510 -7.435 1.00 13.13 H new ATOM 0 HB2 ALA A 99 -18.343 -11.426 -5.936 1.00 13.13 H new ATOM 0 HB3 ALA A 99 -18.957 -10.670 -7.425 1.00 13.13 H new ATOM 1537 N ARG A 100 -16.681 -7.551 -7.593 1.00 64.21 N ATOM 1538 CA ARG A 100 -16.276 -6.730 -8.729 1.00 74.04 C ATOM 1539 C ARG A 100 -14.768 -6.804 -8.962 1.00 24.43 C ATOM 1540 O ARG A 100 -14.240 -6.164 -9.872 1.00 22.42 O ATOM 1541 CB ARG A 100 -16.699 -5.277 -8.509 1.00 73.30 C ATOM 1542 CG ARG A 100 -18.204 -5.073 -8.373 1.00 11.42 C ATOM 1543 CD ARG A 100 -18.959 -5.475 -9.633 1.00 41.15 C ATOM 1544 NE ARG A 100 -19.186 -6.920 -9.724 1.00 32.30 N ATOM 1545 CZ ARG A 100 -18.941 -7.645 -10.816 1.00 24.11 C ATOM 1546 NH1 ARG A 100 -18.405 -7.072 -11.884 1.00 60.31 N ATOM 1547 NH2 ARG A 100 -19.237 -8.940 -10.839 1.00 0.30 N ATOM 0 H ARG A 100 -16.798 -7.037 -6.719 1.00 64.21 H new ATOM 0 HA ARG A 100 -16.775 -7.121 -9.616 1.00 74.04 H new ATOM 0 HB2 ARG A 100 -16.211 -4.901 -7.610 1.00 73.30 H new ATOM 0 HB3 ARG A 100 -16.337 -4.676 -9.343 1.00 73.30 H new ATOM 0 HG2 ARG A 100 -18.573 -5.657 -7.530 1.00 11.42 H new ATOM 0 HG3 ARG A 100 -18.407 -4.026 -8.149 1.00 11.42 H new ATOM 0 HD2 ARG A 100 -19.919 -4.959 -9.656 1.00 41.15 H new ATOM 0 HD3 ARG A 100 -18.399 -5.144 -10.508 1.00 41.15 H new ATOM 0 HE ARG A 100 -19.554 -7.400 -8.903 1.00 32.30 H new ATOM 0 HH11 ARG A 100 -18.180 -6.077 -11.870 1.00 60.31 H new ATOM 0 HH12 ARG A 100 -18.217 -7.626 -12.720 1.00 60.31 H new ATOM 0 HH21 ARG A 100 -19.653 -9.383 -10.020 1.00 0.30 H new ATOM 0 HH22 ARG A 100 -19.048 -9.492 -11.676 1.00 0.30 H new ATOM 1561 N GLY A 101 -14.086 -7.581 -8.134 1.00 34.25 N ATOM 1562 CA GLY A 101 -12.651 -7.740 -8.255 1.00 20.33 C ATOM 1563 C GLY A 101 -12.004 -7.872 -6.899 1.00 25.44 C ATOM 1564 O GLY A 101 -12.667 -8.244 -5.930 1.00 64.34 O ATOM 0 H GLY A 101 -14.507 -8.111 -7.371 1.00 34.25 H new ATOM 0 HA2 GLY A 101 -12.429 -8.623 -8.855 1.00 20.33 H new ATOM 0 HA3 GLY A 101 -12.230 -6.883 -8.781 1.00 20.33 H new ATOM 1568 N THR A 102 -10.724 -7.569 -6.819 1.00 11.31 N ATOM 1569 CA THR A 102 -10.022 -7.587 -5.551 1.00 71.32 C ATOM 1570 C THR A 102 -9.432 -6.211 -5.274 1.00 23.22 C ATOM 1571 O THR A 102 -8.756 -5.632 -6.127 1.00 12.13 O ATOM 1572 CB THR A 102 -8.906 -8.651 -5.540 1.00 72.20 C ATOM 1573 OG1 THR A 102 -9.454 -9.942 -5.834 1.00 14.41 O ATOM 1574 CG2 THR A 102 -8.200 -8.699 -4.192 1.00 0.10 C ATOM 0 H THR A 102 -10.148 -7.307 -7.619 1.00 11.31 H new ATOM 0 HA THR A 102 -10.737 -7.845 -4.769 1.00 71.32 H new ATOM 0 HB THR A 102 -8.178 -8.376 -6.303 1.00 72.20 H new ATOM 0 HG1 THR A 102 -8.942 -10.357 -6.559 1.00 14.41 H new ATOM 0 HG21 THR A 102 -7.419 -9.459 -4.217 1.00 0.10 H new ATOM 0 HG22 THR A 102 -7.754 -7.727 -3.980 1.00 0.10 H new ATOM 0 HG23 THR A 102 -8.921 -8.945 -3.412 1.00 0.10 H new ATOM 1582 N GLU A 103 -9.711 -5.672 -4.102 1.00 71.30 N ATOM 1583 CA GLU A 103 -9.191 -4.369 -3.749 1.00 11.33 C ATOM 1584 C GLU A 103 -8.036 -4.520 -2.776 1.00 22.42 C ATOM 1585 O GLU A 103 -8.118 -5.266 -1.794 1.00 61.35 O ATOM 1586 CB GLU A 103 -10.285 -3.470 -3.159 1.00 54.23 C ATOM 1587 CG GLU A 103 -10.794 -3.928 -1.806 1.00 24.13 C ATOM 1588 CD GLU A 103 -11.914 -3.056 -1.275 1.00 0.23 C ATOM 1589 OE1 GLU A 103 -11.618 -2.019 -0.649 1.00 22.23 O ATOM 1590 OE2 GLU A 103 -13.092 -3.407 -1.471 1.00 62.41 O ATOM 0 H GLU A 103 -10.289 -6.113 -3.386 1.00 71.30 H new ATOM 0 HA GLU A 103 -8.829 -3.888 -4.657 1.00 11.33 H new ATOM 0 HB2 GLU A 103 -9.897 -2.456 -3.066 1.00 54.23 H new ATOM 0 HB3 GLU A 103 -11.122 -3.428 -3.856 1.00 54.23 H new ATOM 0 HG2 GLU A 103 -11.146 -4.957 -1.884 1.00 24.13 H new ATOM 0 HG3 GLU A 103 -9.969 -3.927 -1.093 1.00 24.13 H new ATOM 1597 N VAL A 104 -6.947 -3.850 -3.079 1.00 51.10 N ATOM 1598 CA VAL A 104 -5.809 -3.818 -2.190 1.00 5.32 C ATOM 1599 C VAL A 104 -5.973 -2.649 -1.234 1.00 3.20 C ATOM 1600 O VAL A 104 -6.328 -1.539 -1.641 1.00 41.14 O ATOM 1601 CB VAL A 104 -4.482 -3.707 -2.969 1.00 54.13 C ATOM 1602 CG1 VAL A 104 -4.438 -4.733 -4.092 1.00 62.43 C ATOM 1603 CG2 VAL A 104 -4.266 -2.309 -3.511 1.00 22.42 C ATOM 0 H VAL A 104 -6.826 -3.317 -3.940 1.00 51.10 H new ATOM 0 HA VAL A 104 -5.768 -4.752 -1.630 1.00 5.32 H new ATOM 0 HB VAL A 104 -3.670 -3.915 -2.272 1.00 54.13 H new ATOM 0 HG11 VAL A 104 -3.495 -4.641 -4.632 1.00 62.43 H new ATOM 0 HG12 VAL A 104 -4.520 -5.736 -3.672 1.00 62.43 H new ATOM 0 HG13 VAL A 104 -5.267 -4.558 -4.778 1.00 62.43 H new ATOM 0 HG21 VAL A 104 -3.321 -2.271 -4.053 1.00 22.42 H new ATOM 0 HG22 VAL A 104 -5.082 -2.050 -4.185 1.00 22.42 H new ATOM 0 HG23 VAL A 104 -4.239 -1.599 -2.685 1.00 22.42 H new ATOM 1613 N VAL A 105 -5.767 -2.908 0.035 1.00 13.25 N ATOM 1614 CA VAL A 105 -5.936 -1.886 1.047 1.00 74.41 C ATOM 1615 C VAL A 105 -4.612 -1.634 1.755 1.00 64.53 C ATOM 1616 O VAL A 105 -4.049 -2.522 2.398 1.00 12.03 O ATOM 1617 CB VAL A 105 -7.062 -2.251 2.053 1.00 4.12 C ATOM 1618 CG1 VAL A 105 -6.787 -3.569 2.761 1.00 32.22 C ATOM 1619 CG2 VAL A 105 -7.272 -1.132 3.058 1.00 54.13 C ATOM 0 H VAL A 105 -5.481 -3.819 0.395 1.00 13.25 H new ATOM 0 HA VAL A 105 -6.247 -0.964 0.555 1.00 74.41 H new ATOM 0 HB VAL A 105 -7.980 -2.377 1.479 1.00 4.12 H new ATOM 0 HG11 VAL A 105 -7.599 -3.786 3.455 1.00 32.22 H new ATOM 0 HG12 VAL A 105 -6.716 -4.370 2.025 1.00 32.22 H new ATOM 0 HG13 VAL A 105 -5.849 -3.498 3.311 1.00 32.22 H new ATOM 0 HG21 VAL A 105 -8.065 -1.410 3.752 1.00 54.13 H new ATOM 0 HG22 VAL A 105 -6.349 -0.962 3.612 1.00 54.13 H new ATOM 0 HG23 VAL A 105 -7.553 -0.219 2.533 1.00 54.13 H new ATOM 1629 N VAL A 106 -4.097 -0.427 1.590 1.00 62.00 N ATOM 1630 CA VAL A 106 -2.787 -0.083 2.112 1.00 60.45 C ATOM 1631 C VAL A 106 -2.910 0.793 3.346 1.00 33.23 C ATOM 1632 O VAL A 106 -3.419 1.915 3.276 1.00 2.41 O ATOM 1633 CB VAL A 106 -1.934 0.652 1.056 1.00 72.41 C ATOM 1634 CG1 VAL A 106 -0.524 0.895 1.575 1.00 54.03 C ATOM 1635 CG2 VAL A 106 -1.904 -0.128 -0.250 1.00 42.51 C ATOM 0 H VAL A 106 -4.568 0.332 1.097 1.00 62.00 H new ATOM 0 HA VAL A 106 -2.293 -1.018 2.377 1.00 60.45 H new ATOM 0 HB VAL A 106 -2.394 1.621 0.861 1.00 72.41 H new ATOM 0 HG11 VAL A 106 0.059 1.414 0.814 1.00 54.03 H new ATOM 0 HG12 VAL A 106 -0.568 1.505 2.477 1.00 54.03 H new ATOM 0 HG13 VAL A 106 -0.052 -0.060 1.806 1.00 54.03 H new ATOM 0 HG21 VAL A 106 -1.297 0.408 -0.980 1.00 42.51 H new ATOM 0 HG22 VAL A 106 -1.474 -1.114 -0.075 1.00 42.51 H new ATOM 0 HG23 VAL A 106 -2.919 -0.237 -0.632 1.00 42.51 H new ATOM 1645 N ARG A 107 -2.471 0.266 4.476 1.00 40.30 N ATOM 1646 CA ARG A 107 -2.407 1.049 5.698 1.00 0.33 C ATOM 1647 C ARG A 107 -1.044 1.717 5.800 1.00 22.44 C ATOM 1648 O ARG A 107 -0.039 1.055 6.064 1.00 24.30 O ATOM 1649 CB ARG A 107 -2.666 0.171 6.927 1.00 24.14 C ATOM 1650 CG ARG A 107 -2.756 0.963 8.223 1.00 54.01 C ATOM 1651 CD ARG A 107 -3.163 0.090 9.398 1.00 3.35 C ATOM 1652 NE ARG A 107 -2.128 -0.869 9.768 1.00 3.04 N ATOM 1653 CZ ARG A 107 -2.345 -1.921 10.555 1.00 52.13 C ATOM 1654 NH1 ARG A 107 -3.554 -2.145 11.059 1.00 10.30 N ATOM 1655 NH2 ARG A 107 -1.349 -2.744 10.847 1.00 61.14 N ATOM 0 H ARG A 107 -2.154 -0.699 4.573 1.00 40.30 H new ATOM 0 HA ARG A 107 -3.183 1.814 5.666 1.00 0.33 H new ATOM 0 HB2 ARG A 107 -3.594 -0.381 6.781 1.00 24.14 H new ATOM 0 HB3 ARG A 107 -1.867 -0.565 7.014 1.00 24.14 H new ATOM 0 HG2 ARG A 107 -1.792 1.426 8.432 1.00 54.01 H new ATOM 0 HG3 ARG A 107 -3.478 1.771 8.105 1.00 54.01 H new ATOM 0 HD2 ARG A 107 -3.390 0.724 10.256 1.00 3.35 H new ATOM 0 HD3 ARG A 107 -4.078 -0.447 9.148 1.00 3.35 H new ATOM 0 HE ARG A 107 -1.186 -0.726 9.404 1.00 3.04 H new ATOM 0 HH11 ARG A 107 -4.322 -1.509 10.844 1.00 10.30 H new ATOM 0 HH12 ARG A 107 -3.714 -2.953 11.661 1.00 10.30 H new ATOM 0 HH21 ARG A 107 -0.417 -2.571 10.469 1.00 61.14 H new ATOM 0 HH22 ARG A 107 -1.514 -3.550 11.450 1.00 61.14 H new ATOM 1669 N LEU A 108 -1.012 3.020 5.571 1.00 4.31 N ATOM 1670 CA LEU A 108 0.234 3.768 5.574 1.00 50.22 C ATOM 1671 C LEU A 108 0.408 4.475 6.912 1.00 64.03 C ATOM 1672 O LEU A 108 -0.538 5.065 7.444 1.00 44.43 O ATOM 1673 CB LEU A 108 0.237 4.790 4.426 1.00 61.11 C ATOM 1674 CG LEU A 108 1.585 5.013 3.724 1.00 33.34 C ATOM 1675 CD1 LEU A 108 2.586 5.679 4.653 1.00 41.55 C ATOM 1676 CD2 LEU A 108 2.137 3.694 3.206 1.00 62.41 C ATOM 0 H LEU A 108 -1.840 3.584 5.380 1.00 4.31 H new ATOM 0 HA LEU A 108 1.066 3.079 5.429 1.00 50.22 H new ATOM 0 HB2 LEU A 108 -0.490 4.470 3.680 1.00 61.11 H new ATOM 0 HB3 LEU A 108 -0.109 5.747 4.817 1.00 61.11 H new ATOM 0 HG LEU A 108 1.417 5.680 2.878 1.00 33.34 H new ATOM 0 HD11 LEU A 108 3.530 5.823 4.127 1.00 41.55 H new ATOM 0 HD12 LEU A 108 2.198 6.646 4.974 1.00 41.55 H new ATOM 0 HD13 LEU A 108 2.750 5.046 5.525 1.00 41.55 H new ATOM 0 HD21 LEU A 108 3.092 3.869 2.711 1.00 62.41 H new ATOM 0 HD22 LEU A 108 2.281 3.007 4.040 1.00 62.41 H new ATOM 0 HD23 LEU A 108 1.434 3.260 2.495 1.00 62.41 H new ATOM 1688 N THR A 109 1.608 4.408 7.461 1.00 70.33 N ATOM 1689 CA THR A 109 1.897 5.063 8.720 1.00 73.34 C ATOM 1690 C THR A 109 2.246 6.530 8.511 1.00 3.21 C ATOM 1691 O THR A 109 3.215 6.865 7.826 1.00 42.22 O ATOM 1692 CB THR A 109 3.048 4.365 9.456 1.00 65.15 C ATOM 1693 OG1 THR A 109 4.150 4.163 8.557 1.00 65.23 O ATOM 1694 CG2 THR A 109 2.588 3.037 10.029 1.00 71.53 C ATOM 0 H THR A 109 2.397 3.906 7.053 1.00 70.33 H new ATOM 0 HA THR A 109 0.995 4.998 9.329 1.00 73.34 H new ATOM 0 HB THR A 109 3.372 5.000 10.281 1.00 65.15 H new ATOM 0 HG1 THR A 109 4.288 4.972 8.022 1.00 65.23 H new ATOM 0 HG21 THR A 109 3.418 2.557 10.547 1.00 71.53 H new ATOM 0 HG22 THR A 109 1.772 3.207 10.731 1.00 71.53 H new ATOM 0 HG23 THR A 109 2.243 2.392 9.221 1.00 71.53 H new ATOM 1702 N TYR A 110 1.455 7.396 9.116 1.00 55.33 N ATOM 1703 CA TYR A 110 1.656 8.830 9.011 1.00 1.11 C ATOM 1704 C TYR A 110 1.574 9.453 10.402 1.00 43.20 C ATOM 1705 O TYR A 110 0.519 9.461 11.037 1.00 62.42 O ATOM 1706 CB TYR A 110 0.612 9.438 8.065 1.00 24.23 C ATOM 1707 CG TYR A 110 0.771 10.923 7.821 1.00 20.44 C ATOM 1708 CD1 TYR A 110 1.809 11.408 7.037 1.00 22.25 C ATOM 1709 CD2 TYR A 110 -0.127 11.838 8.361 1.00 2.30 C ATOM 1710 CE1 TYR A 110 1.954 12.763 6.800 1.00 41.54 C ATOM 1711 CE2 TYR A 110 0.011 13.196 8.131 1.00 31.13 C ATOM 1712 CZ TYR A 110 1.052 13.655 7.350 1.00 43.31 C ATOM 1713 OH TYR A 110 1.190 15.007 7.121 1.00 11.15 O ATOM 0 H TYR A 110 0.658 7.127 9.692 1.00 55.33 H new ATOM 0 HA TYR A 110 2.642 9.037 8.596 1.00 1.11 H new ATOM 0 HB2 TYR A 110 0.662 8.919 7.108 1.00 24.23 H new ATOM 0 HB3 TYR A 110 -0.381 9.255 8.475 1.00 24.23 H new ATOM 0 HD1 TYR A 110 2.516 10.715 6.605 1.00 22.25 H new ATOM 0 HD2 TYR A 110 -0.945 11.483 8.970 1.00 2.30 H new ATOM 0 HE1 TYR A 110 2.768 13.123 6.188 1.00 41.54 H new ATOM 0 HE2 TYR A 110 -0.693 13.893 8.561 1.00 31.13 H new ATOM 0 HH TYR A 110 0.472 15.491 7.579 1.00 11.15 H new ATOM 1782 N GLY A 115 9.940 15.725 17.420 1.00 11.22 N ATOM 1783 CA GLY A 115 10.994 16.630 17.808 1.00 44.32 C ATOM 1784 C GLY A 115 10.688 18.056 17.413 1.00 2.35 C ATOM 1785 O GLY A 115 10.098 18.300 16.359 1.00 13.01 O ATOM 0 HA2 GLY A 115 11.140 16.576 18.887 1.00 44.32 H new ATOM 0 HA3 GLY A 115 11.929 16.318 17.344 1.00 44.32 H new ATOM 1789 N SER A 116 11.090 18.992 18.256 1.00 22.42 N ATOM 1790 CA SER A 116 10.866 20.408 18.007 1.00 11.14 C ATOM 1791 C SER A 116 11.564 20.843 16.721 1.00 21.10 C ATOM 1792 O SER A 116 10.971 21.523 15.880 1.00 53.42 O ATOM 1793 CB SER A 116 11.370 21.230 19.199 1.00 54.22 C ATOM 1794 OG SER A 116 11.133 22.613 19.010 1.00 10.15 O ATOM 0 H SER A 116 11.579 18.794 19.129 1.00 22.42 H new ATOM 0 HA SER A 116 9.797 20.581 17.886 1.00 11.14 H new ATOM 0 HB2 SER A 116 10.873 20.895 20.110 1.00 54.22 H new ATOM 0 HB3 SER A 116 12.437 21.058 19.336 1.00 54.22 H new ATOM 0 HG SER A 116 11.464 23.111 19.787 1.00 10.15 H new ATOM 1800 N ALA A 117 12.814 20.418 16.558 1.00 14.32 N ATOM 1801 CA ALA A 117 13.592 20.766 15.376 1.00 45.22 C ATOM 1802 C ALA A 117 12.981 20.149 14.127 1.00 53.33 C ATOM 1803 O ALA A 117 13.035 20.730 13.046 1.00 12.11 O ATOM 1804 CB ALA A 117 15.033 20.315 15.532 1.00 1.01 C ATOM 0 H ALA A 117 13.309 19.832 17.231 1.00 14.32 H new ATOM 0 HA ALA A 117 13.576 21.851 15.269 1.00 45.22 H new ATOM 0 HB1 ALA A 117 15.597 20.584 14.639 1.00 1.01 H new ATOM 0 HB2 ALA A 117 15.475 20.803 16.401 1.00 1.01 H new ATOM 0 HB3 ALA A 117 15.063 19.234 15.668 1.00 1.01 H new ATOM 1810 N GLY A 118 12.384 18.979 14.292 1.00 12.35 N ATOM 1811 CA GLY A 118 11.754 18.304 13.175 1.00 34.45 C ATOM 1812 C GLY A 118 10.480 18.998 12.738 1.00 41.42 C ATOM 1813 O GLY A 118 10.186 19.075 11.548 1.00 4.55 O ATOM 0 H GLY A 118 12.324 18.483 15.181 1.00 12.35 H new ATOM 0 HA2 GLY A 118 12.450 18.263 12.337 1.00 34.45 H new ATOM 0 HA3 GLY A 118 11.529 17.275 13.454 1.00 34.45 H new ATOM 1817 N ALA A 119 9.733 19.516 13.701 1.00 12.44 N ATOM 1818 CA ALA A 119 8.467 20.179 13.415 1.00 4.33 C ATOM 1819 C ALA A 119 8.679 21.496 12.675 1.00 71.41 C ATOM 1820 O ALA A 119 8.002 21.776 11.685 1.00 44.41 O ATOM 1821 CB ALA A 119 7.693 20.415 14.704 1.00 63.31 C ATOM 0 H ALA A 119 9.981 19.491 14.690 1.00 12.44 H new ATOM 0 HA ALA A 119 7.886 19.524 12.766 1.00 4.33 H new ATOM 0 HB1 ALA A 119 6.749 20.911 14.476 1.00 63.31 H new ATOM 0 HB2 ALA A 119 7.493 19.459 15.188 1.00 63.31 H new ATOM 0 HB3 ALA A 119 8.282 21.044 15.372 1.00 63.31 H new ATOM 1827 N VAL A 120 9.632 22.294 13.145 1.00 2.13 N ATOM 1828 CA VAL A 120 9.868 23.617 12.574 1.00 52.12 C ATOM 1829 C VAL A 120 10.379 23.538 11.132 1.00 64.21 C ATOM 1830 O VAL A 120 10.009 24.367 10.297 1.00 0.14 O ATOM 1831 CB VAL A 120 10.842 24.450 13.439 1.00 4.02 C ATOM 1832 CG1 VAL A 120 10.243 24.713 14.813 1.00 45.24 C ATOM 1833 CG2 VAL A 120 12.195 23.768 13.571 1.00 23.01 C ATOM 0 H VAL A 120 10.252 22.050 13.917 1.00 2.13 H new ATOM 0 HA VAL A 120 8.902 24.122 12.563 1.00 52.12 H new ATOM 0 HB VAL A 120 10.999 25.404 12.935 1.00 4.02 H new ATOM 0 HG11 VAL A 120 10.942 25.300 15.408 1.00 45.24 H new ATOM 0 HG12 VAL A 120 9.308 25.263 14.703 1.00 45.24 H new ATOM 0 HG13 VAL A 120 10.049 23.764 15.313 1.00 45.24 H new ATOM 0 HG21 VAL A 120 12.854 24.382 14.185 1.00 23.01 H new ATOM 0 HG22 VAL A 120 12.067 22.792 14.040 1.00 23.01 H new ATOM 0 HG23 VAL A 120 12.636 23.640 12.582 1.00 23.01 H new ATOM 1843 N ILE A 121 11.208 22.543 10.830 1.00 34.31 N ATOM 1844 CA ILE A 121 11.721 22.384 9.471 1.00 14.43 C ATOM 1845 C ILE A 121 10.648 21.805 8.551 1.00 2.51 C ATOM 1846 O ILE A 121 10.598 22.126 7.360 1.00 24.41 O ATOM 1847 CB ILE A 121 12.992 21.504 9.411 1.00 40.12 C ATOM 1848 CG1 ILE A 121 12.713 20.097 9.945 1.00 14.14 C ATOM 1849 CG2 ILE A 121 14.126 22.161 10.188 1.00 70.40 C ATOM 1850 CD1 ILE A 121 13.900 19.161 9.860 1.00 73.02 C ATOM 0 H ILE A 121 11.536 21.844 11.496 1.00 34.31 H new ATOM 0 HA ILE A 121 11.997 23.381 9.128 1.00 14.43 H new ATOM 0 HB ILE A 121 13.294 21.410 8.368 1.00 40.12 H new ATOM 0 HG12 ILE A 121 12.395 20.170 10.985 1.00 14.14 H new ATOM 0 HG13 ILE A 121 11.882 19.666 9.387 1.00 14.14 H new ATOM 0 HG21 ILE A 121 15.014 21.531 10.138 1.00 70.40 H new ATOM 0 HG22 ILE A 121 14.347 23.136 9.754 1.00 70.40 H new ATOM 0 HG23 ILE A 121 13.829 22.286 11.229 1.00 70.40 H new ATOM 0 HD11 ILE A 121 13.623 18.185 10.257 1.00 73.02 H new ATOM 0 HD12 ILE A 121 14.206 19.055 8.819 1.00 73.02 H new ATOM 0 HD13 ILE A 121 14.727 19.568 10.442 1.00 73.02 H new ATOM 1862 N ALA A 122 9.783 20.964 9.109 1.00 64.33 N ATOM 1863 CA ALA A 122 8.670 20.398 8.358 1.00 10.13 C ATOM 1864 C ALA A 122 7.644 21.479 8.045 1.00 10.24 C ATOM 1865 O ALA A 122 7.019 21.469 6.991 1.00 1.11 O ATOM 1866 CB ALA A 122 8.024 19.260 9.132 1.00 20.43 C ATOM 0 H ALA A 122 9.833 20.659 10.081 1.00 64.33 H new ATOM 0 HA ALA A 122 9.054 19.997 7.420 1.00 10.13 H new ATOM 0 HB1 ALA A 122 7.195 18.851 8.554 1.00 20.43 H new ATOM 0 HB2 ALA A 122 8.761 18.478 9.312 1.00 20.43 H new ATOM 0 HB3 ALA A 122 7.651 19.634 10.086 1.00 20.43 H new ATOM 1872 N ARG A 123 7.485 22.419 8.969 1.00 31.55 N ATOM 1873 CA ARG A 123 6.603 23.558 8.761 1.00 62.10 C ATOM 1874 C ARG A 123 7.047 24.353 7.533 1.00 2.43 C ATOM 1875 O ARG A 123 6.220 24.897 6.797 1.00 32.31 O ATOM 1876 CB ARG A 123 6.594 24.456 10.003 1.00 22.33 C ATOM 1877 CG ARG A 123 5.698 25.675 9.875 1.00 20.05 C ATOM 1878 CD ARG A 123 4.243 25.281 9.689 1.00 44.14 C ATOM 1879 NE ARG A 123 3.404 26.440 9.405 1.00 20.25 N ATOM 1880 CZ ARG A 123 2.077 26.436 9.458 1.00 72.22 C ATOM 1881 NH1 ARG A 123 1.418 25.338 9.810 1.00 12.33 N ATOM 1882 NH2 ARG A 123 1.412 27.538 9.160 1.00 70.10 N ATOM 0 H ARG A 123 7.958 22.413 9.873 1.00 31.55 H new ATOM 0 HA ARG A 123 5.591 23.191 8.591 1.00 62.10 H new ATOM 0 HB2 ARG A 123 6.270 23.868 10.862 1.00 22.33 H new ATOM 0 HB3 ARG A 123 7.612 24.786 10.208 1.00 22.33 H new ATOM 0 HG2 ARG A 123 5.797 26.295 10.766 1.00 20.05 H new ATOM 0 HG3 ARG A 123 6.023 26.279 9.028 1.00 20.05 H new ATOM 0 HD2 ARG A 123 4.161 24.563 8.873 1.00 44.14 H new ATOM 0 HD3 ARG A 123 3.883 24.782 10.589 1.00 44.14 H new ATOM 0 HE ARG A 123 3.867 27.312 9.149 1.00 20.25 H new ATOM 0 HH11 ARG A 123 1.931 24.488 10.043 1.00 12.33 H new ATOM 0 HH12 ARG A 123 0.399 25.345 9.848 1.00 12.33 H new ATOM 0 HH21 ARG A 123 1.918 28.382 8.892 1.00 70.10 H new ATOM 0 HH22 ARG A 123 0.393 27.545 9.198 1.00 70.10 H new ATOM 1896 N MET A 124 8.357 24.408 7.321 1.00 50.40 N ATOM 1897 CA MET A 124 8.914 25.075 6.154 1.00 42.53 C ATOM 1898 C MET A 124 8.644 24.263 4.890 1.00 53.41 C ATOM 1899 O MET A 124 8.114 24.785 3.907 1.00 1.45 O ATOM 1900 CB MET A 124 10.420 25.293 6.330 1.00 53.54 C ATOM 1901 CG MET A 124 11.108 25.853 5.095 1.00 64.24 C ATOM 1902 SD MET A 124 10.425 27.436 4.570 1.00 74.12 S ATOM 1903 CE MET A 124 11.347 27.710 3.060 1.00 22.43 C ATOM 0 H MET A 124 9.053 23.998 7.944 1.00 50.40 H new ATOM 0 HA MET A 124 8.429 26.046 6.052 1.00 42.53 H new ATOM 0 HB2 MET A 124 10.584 25.973 7.166 1.00 53.54 H new ATOM 0 HB3 MET A 124 10.886 24.344 6.595 1.00 53.54 H new ATOM 0 HG2 MET A 124 12.172 25.972 5.300 1.00 64.24 H new ATOM 0 HG3 MET A 124 11.019 25.136 4.279 1.00 64.24 H new ATOM 0 HE1 MET A 124 11.039 28.654 2.612 1.00 22.43 H new ATOM 0 HE2 MET A 124 12.413 27.746 3.286 1.00 22.43 H new ATOM 0 HE3 MET A 124 11.152 26.896 2.362 1.00 22.43 H new ATOM 2057 N ARG A 134 -5.390 10.331 -3.038 1.00 52.30 N ATOM 2058 CA ARG A 134 -5.668 9.113 -3.780 1.00 43.24 C ATOM 2059 C ARG A 134 -5.039 9.189 -5.169 1.00 74.34 C ATOM 2060 O ARG A 134 -4.986 8.198 -5.889 1.00 1.40 O ATOM 2061 CB ARG A 134 -7.184 8.893 -3.878 1.00 64.03 C ATOM 2062 CG ARG A 134 -7.588 7.627 -4.618 1.00 23.41 C ATOM 2063 CD ARG A 134 -9.081 7.381 -4.513 1.00 23.11 C ATOM 2064 NE ARG A 134 -9.510 6.211 -5.279 1.00 74.21 N ATOM 2065 CZ ARG A 134 -9.660 4.995 -4.755 1.00 14.51 C ATOM 2066 NH1 ARG A 134 -9.284 4.751 -3.508 1.00 3.50 N ATOM 2067 NH2 ARG A 134 -10.151 4.008 -5.490 1.00 62.22 N ATOM 0 HA ARG A 134 -5.230 8.265 -3.253 1.00 43.24 H new ATOM 0 HB2 ARG A 134 -7.600 8.859 -2.871 1.00 64.03 H new ATOM 0 HB3 ARG A 134 -7.632 9.751 -4.379 1.00 64.03 H new ATOM 0 HG2 ARG A 134 -7.304 7.710 -5.667 1.00 23.41 H new ATOM 0 HG3 ARG A 134 -7.047 6.775 -4.207 1.00 23.41 H new ATOM 0 HD2 ARG A 134 -9.351 7.245 -3.466 1.00 23.11 H new ATOM 0 HD3 ARG A 134 -9.617 8.261 -4.869 1.00 23.11 H new ATOM 0 HE ARG A 134 -9.706 6.333 -6.273 1.00 74.21 H new ATOM 0 HH11 ARG A 134 -8.877 5.496 -2.943 1.00 3.50 H new ATOM 0 HH12 ARG A 134 -9.402 3.818 -3.113 1.00 3.50 H new ATOM 0 HH21 ARG A 134 -10.416 4.178 -6.460 1.00 62.22 H new ATOM 0 HH22 ARG A 134 -10.264 3.079 -5.085 1.00 62.22 H new ATOM 2081 N ASP A 135 -4.541 10.373 -5.527 1.00 71.14 N ATOM 2082 CA ASP A 135 -3.907 10.589 -6.829 1.00 71.45 C ATOM 2083 C ASP A 135 -2.792 9.580 -7.069 1.00 50.12 C ATOM 2084 O ASP A 135 -2.731 8.944 -8.122 1.00 64.33 O ATOM 2085 CB ASP A 135 -3.336 12.010 -6.928 1.00 64.10 C ATOM 2086 CG ASP A 135 -4.407 13.082 -6.910 1.00 22.21 C ATOM 2087 OD1 ASP A 135 -4.912 13.410 -5.815 1.00 13.25 O ATOM 2088 OD2 ASP A 135 -4.753 13.606 -7.993 1.00 4.45 O ATOM 0 H ASP A 135 -4.565 11.201 -4.931 1.00 71.14 H new ATOM 0 HA ASP A 135 -4.674 10.457 -7.592 1.00 71.45 H new ATOM 0 HB2 ASP A 135 -2.648 12.178 -6.099 1.00 64.10 H new ATOM 0 HB3 ASP A 135 -2.756 12.099 -7.847 1.00 64.10 H new ATOM 2093 N ASP A 136 -1.927 9.418 -6.077 1.00 11.00 N ATOM 2094 CA ASP A 136 -0.796 8.498 -6.187 1.00 63.04 C ATOM 2095 C ASP A 136 -1.269 7.046 -6.204 1.00 61.23 C ATOM 2096 O ASP A 136 -0.712 6.204 -6.912 1.00 63.22 O ATOM 2097 CB ASP A 136 0.178 8.717 -5.029 1.00 25.24 C ATOM 2098 CG ASP A 136 1.343 7.742 -5.045 1.00 4.23 C ATOM 2099 OD1 ASP A 136 2.312 7.973 -5.797 1.00 53.11 O ATOM 2100 OD2 ASP A 136 1.304 6.747 -4.291 1.00 13.12 O ATOM 0 H ASP A 136 -1.984 9.910 -5.186 1.00 11.00 H new ATOM 0 HA ASP A 136 -0.285 8.702 -7.128 1.00 63.04 H new ATOM 0 HB2 ASP A 136 0.563 9.736 -5.072 1.00 25.24 H new ATOM 0 HB3 ASP A 136 -0.359 8.619 -4.086 1.00 25.24 H new ATOM 2105 N LEU A 137 -2.317 6.760 -5.444 1.00 55.34 N ATOM 2106 CA LEU A 137 -2.823 5.401 -5.334 1.00 11.42 C ATOM 2107 C LEU A 137 -3.627 5.028 -6.580 1.00 44.24 C ATOM 2108 O LEU A 137 -3.788 3.848 -6.898 1.00 50.34 O ATOM 2109 CB LEU A 137 -3.671 5.246 -4.065 1.00 33.51 C ATOM 2110 CG LEU A 137 -3.951 3.801 -3.638 1.00 42.22 C ATOM 2111 CD1 LEU A 137 -2.651 3.024 -3.489 1.00 22.24 C ATOM 2112 CD2 LEU A 137 -4.730 3.774 -2.333 1.00 34.13 C ATOM 0 H LEU A 137 -2.832 7.450 -4.896 1.00 55.34 H new ATOM 0 HA LEU A 137 -1.977 4.718 -5.261 1.00 11.42 H new ATOM 0 HB2 LEU A 137 -3.167 5.758 -3.246 1.00 33.51 H new ATOM 0 HB3 LEU A 137 -4.623 5.753 -4.220 1.00 33.51 H new ATOM 0 HG LEU A 137 -4.551 3.326 -4.414 1.00 42.22 H new ATOM 0 HD11 LEU A 137 -2.872 2.001 -3.185 1.00 22.24 H new ATOM 0 HD12 LEU A 137 -2.122 3.014 -4.442 1.00 22.24 H new ATOM 0 HD13 LEU A 137 -2.027 3.500 -2.733 1.00 22.24 H new ATOM 0 HD21 LEU A 137 -4.920 2.740 -2.044 1.00 34.13 H new ATOM 0 HD22 LEU A 137 -4.150 4.268 -1.553 1.00 34.13 H new ATOM 0 HD23 LEU A 137 -5.679 4.294 -2.465 1.00 34.13 H new ATOM 2124 N MET A 138 -4.113 6.039 -7.295 1.00 12.45 N ATOM 2125 CA MET A 138 -4.806 5.822 -8.561 1.00 34.54 C ATOM 2126 C MET A 138 -3.851 5.266 -9.604 1.00 42.23 C ATOM 2127 O MET A 138 -4.226 4.406 -10.400 1.00 34.45 O ATOM 2128 CB MET A 138 -5.440 7.121 -9.074 1.00 52.32 C ATOM 2129 CG MET A 138 -6.721 7.531 -8.353 1.00 73.02 C ATOM 2130 SD MET A 138 -8.160 6.536 -8.815 1.00 13.12 S ATOM 2131 CE MET A 138 -7.789 4.958 -8.049 1.00 55.33 C ATOM 0 H MET A 138 -4.039 7.018 -7.018 1.00 12.45 H new ATOM 0 HA MET A 138 -5.600 5.097 -8.384 1.00 34.54 H new ATOM 0 HB2 MET A 138 -4.712 7.927 -8.980 1.00 52.32 H new ATOM 0 HB3 MET A 138 -5.657 7.009 -10.136 1.00 52.32 H new ATOM 0 HG2 MET A 138 -6.564 7.451 -7.277 1.00 73.02 H new ATOM 0 HG3 MET A 138 -6.930 8.579 -8.568 1.00 73.02 H new ATOM 0 HE1 MET A 138 -8.718 4.433 -7.829 1.00 55.33 H new ATOM 0 HE2 MET A 138 -7.185 4.357 -8.729 1.00 55.33 H new ATOM 0 HE3 MET A 138 -7.238 5.124 -7.123 1.00 55.33 H new ATOM 2141 N ARG A 139 -2.610 5.744 -9.592 1.00 34.42 N ATOM 2142 CA ARG A 139 -1.610 5.229 -10.514 1.00 1.11 C ATOM 2143 C ARG A 139 -1.250 3.802 -10.135 1.00 20.14 C ATOM 2144 O ARG A 139 -1.026 2.959 -10.997 1.00 31.11 O ATOM 2145 CB ARG A 139 -0.356 6.103 -10.532 1.00 71.51 C ATOM 2146 CG ARG A 139 0.100 6.427 -11.944 1.00 53.31 C ATOM 2147 CD ARG A 139 -0.933 7.291 -12.646 1.00 3.11 C ATOM 2148 NE ARG A 139 -0.762 7.326 -14.097 1.00 65.14 N ATOM 2149 CZ ARG A 139 -0.891 8.436 -14.821 1.00 20.42 C ATOM 2150 NH1 ARG A 139 -0.976 9.612 -14.216 1.00 62.43 N ATOM 2151 NH2 ARG A 139 -0.894 8.378 -16.147 1.00 1.33 N ATOM 0 H ARG A 139 -2.279 6.476 -8.963 1.00 34.42 H new ATOM 0 HA ARG A 139 -2.036 5.244 -11.517 1.00 1.11 H new ATOM 0 HB2 ARG A 139 -0.554 7.030 -9.995 1.00 71.51 H new ATOM 0 HB3 ARG A 139 0.448 5.593 -10.001 1.00 71.51 H new ATOM 0 HG2 ARG A 139 1.058 6.946 -11.914 1.00 53.31 H new ATOM 0 HG3 ARG A 139 0.254 5.505 -12.504 1.00 53.31 H new ATOM 0 HD2 ARG A 139 -1.930 6.917 -12.413 1.00 3.11 H new ATOM 0 HD3 ARG A 139 -0.874 8.307 -12.255 1.00 3.11 H new ATOM 0 HE ARG A 139 -0.532 6.457 -14.579 1.00 65.14 H new ATOM 0 HH11 ARG A 139 -0.943 9.665 -13.198 1.00 62.43 H new ATOM 0 HH12 ARG A 139 -1.075 10.464 -14.768 1.00 62.43 H new ATOM 0 HH21 ARG A 139 -0.797 7.479 -16.618 1.00 1.33 H new ATOM 0 HH22 ARG A 139 -0.993 9.233 -16.695 1.00 1.33 H new ATOM 2165 N PHE A 140 -1.243 3.534 -8.835 1.00 32.51 N ATOM 2166 CA PHE A 140 -1.001 2.190 -8.337 1.00 4.45 C ATOM 2167 C PHE A 140 -2.027 1.227 -8.925 1.00 61.10 C ATOM 2168 O PHE A 140 -1.674 0.159 -9.408 1.00 41.23 O ATOM 2169 CB PHE A 140 -1.057 2.166 -6.805 1.00 25.15 C ATOM 2170 CG PHE A 140 -0.681 0.842 -6.199 1.00 12.51 C ATOM 2171 CD1 PHE A 140 0.640 0.419 -6.186 1.00 73.24 C ATOM 2172 CD2 PHE A 140 -1.647 0.020 -5.642 1.00 73.02 C ATOM 2173 CE1 PHE A 140 0.986 -0.796 -5.627 1.00 44.51 C ATOM 2174 CE2 PHE A 140 -1.305 -1.197 -5.082 1.00 20.52 C ATOM 2175 CZ PHE A 140 0.014 -1.605 -5.076 1.00 64.34 C ATOM 0 H PHE A 140 -1.402 4.231 -8.108 1.00 32.51 H new ATOM 0 HA PHE A 140 -0.004 1.874 -8.645 1.00 4.45 H new ATOM 0 HB2 PHE A 140 -0.390 2.935 -6.415 1.00 25.15 H new ATOM 0 HB3 PHE A 140 -2.066 2.427 -6.485 1.00 25.15 H new ATOM 0 HD1 PHE A 140 1.406 1.046 -6.617 1.00 73.24 H new ATOM 0 HD2 PHE A 140 -2.680 0.334 -5.645 1.00 73.02 H new ATOM 0 HE1 PHE A 140 2.018 -1.113 -5.621 1.00 44.51 H new ATOM 0 HE2 PHE A 140 -2.068 -1.827 -4.650 1.00 20.52 H new ATOM 0 HZ PHE A 140 0.284 -2.556 -4.641 1.00 64.34 H new ATOM 2185 N LYS A 141 -3.297 1.628 -8.900 1.00 53.32 N ATOM 2186 CA LYS A 141 -4.365 0.834 -9.502 1.00 42.53 C ATOM 2187 C LYS A 141 -4.168 0.712 -11.008 1.00 12.25 C ATOM 2188 O LYS A 141 -4.396 -0.352 -11.586 1.00 10.44 O ATOM 2189 CB LYS A 141 -5.730 1.459 -9.210 1.00 64.25 C ATOM 2190 CG LYS A 141 -6.882 0.806 -9.967 1.00 5.10 C ATOM 2191 CD LYS A 141 -8.195 1.537 -9.711 1.00 72.55 C ATOM 2192 CE LYS A 141 -9.162 1.415 -10.882 1.00 61.34 C ATOM 2193 NZ LYS A 141 -9.505 0.004 -11.196 1.00 64.10 N ATOM 0 H LYS A 141 -3.611 2.498 -8.469 1.00 53.32 H new ATOM 0 HA LYS A 141 -4.328 -0.162 -9.062 1.00 42.53 H new ATOM 0 HB2 LYS A 141 -5.928 1.394 -8.140 1.00 64.25 H new ATOM 0 HB3 LYS A 141 -5.696 2.519 -9.464 1.00 64.25 H new ATOM 0 HG2 LYS A 141 -6.665 0.806 -11.035 1.00 5.10 H new ATOM 0 HG3 LYS A 141 -6.977 -0.236 -9.661 1.00 5.10 H new ATOM 0 HD2 LYS A 141 -8.663 1.135 -8.813 1.00 72.55 H new ATOM 0 HD3 LYS A 141 -7.991 2.590 -9.520 1.00 72.55 H new ATOM 0 HE2 LYS A 141 -10.075 1.964 -10.653 1.00 61.34 H new ATOM 0 HE3 LYS A 141 -8.721 1.882 -11.763 1.00 61.34 H new ATOM 0 HZ1 LYS A 141 -10.466 -0.040 -11.591 1.00 64.10 H new ATOM 0 HZ2 LYS A 141 -8.828 -0.372 -11.890 1.00 64.10 H new ATOM 0 HZ3 LYS A 141 -9.462 -0.565 -10.327 1.00 64.10 H new ATOM 2207 N ARG A 142 -3.750 1.809 -11.637 1.00 70.12 N ATOM 2208 CA ARG A 142 -3.497 1.817 -13.071 1.00 20.11 C ATOM 2209 C ARG A 142 -2.462 0.760 -13.434 1.00 54.12 C ATOM 2210 O ARG A 142 -2.748 -0.144 -14.215 1.00 2.15 O ATOM 2211 CB ARG A 142 -3.031 3.203 -13.538 1.00 40.32 C ATOM 2212 CG ARG A 142 -2.567 3.234 -14.989 1.00 61.15 C ATOM 2213 CD ARG A 142 -3.679 2.841 -15.950 1.00 21.32 C ATOM 2214 NE ARG A 142 -4.680 3.897 -16.109 1.00 41.51 N ATOM 2215 CZ ARG A 142 -5.883 3.711 -16.658 1.00 65.02 C ATOM 2216 NH1 ARG A 142 -6.272 2.493 -17.031 1.00 53.35 N ATOM 2217 NH2 ARG A 142 -6.706 4.739 -16.822 1.00 5.45 N ATOM 0 H ARG A 142 -3.580 2.702 -11.174 1.00 70.12 H new ATOM 0 HA ARG A 142 -4.431 1.582 -13.581 1.00 20.11 H new ATOM 0 HB2 ARG A 142 -3.848 3.913 -13.411 1.00 40.32 H new ATOM 0 HB3 ARG A 142 -2.215 3.538 -12.897 1.00 40.32 H new ATOM 0 HG2 ARG A 142 -2.212 4.235 -15.235 1.00 61.15 H new ATOM 0 HG3 ARG A 142 -1.723 2.556 -15.114 1.00 61.15 H new ATOM 0 HD2 ARG A 142 -3.248 2.604 -16.923 1.00 21.32 H new ATOM 0 HD3 ARG A 142 -4.165 1.935 -15.588 1.00 21.32 H new ATOM 0 HE ARG A 142 -4.444 4.833 -15.780 1.00 41.51 H new ATOM 0 HH11 ARG A 142 -5.650 1.696 -16.898 1.00 53.35 H new ATOM 0 HH12 ARG A 142 -7.192 2.357 -17.450 1.00 53.35 H new ATOM 0 HH21 ARG A 142 -6.420 5.673 -16.529 1.00 5.45 H new ATOM 0 HH22 ARG A 142 -7.625 4.595 -17.242 1.00 5.45 H new ATOM 2231 N GLU A 143 -1.278 0.856 -12.845 1.00 22.02 N ATOM 2232 CA GLU A 143 -0.211 -0.092 -13.140 1.00 44.20 C ATOM 2233 C GLU A 143 -0.568 -1.501 -12.658 1.00 3.41 C ATOM 2234 O GLU A 143 -0.103 -2.484 -13.224 1.00 54.01 O ATOM 2235 CB GLU A 143 1.118 0.349 -12.514 1.00 33.24 C ATOM 2236 CG GLU A 143 1.855 1.440 -13.283 1.00 23.14 C ATOM 2237 CD GLU A 143 1.314 2.837 -13.046 1.00 71.11 C ATOM 2238 OE1 GLU A 143 1.764 3.492 -12.077 1.00 2.01 O ATOM 2239 OE2 GLU A 143 0.470 3.294 -13.842 1.00 42.01 O ATOM 0 H GLU A 143 -1.032 1.575 -12.165 1.00 22.02 H new ATOM 0 HA GLU A 143 -0.095 -0.113 -14.224 1.00 44.20 H new ATOM 0 HB2 GLU A 143 0.927 0.704 -11.501 1.00 33.24 H new ATOM 0 HB3 GLU A 143 1.770 -0.520 -12.429 1.00 33.24 H new ATOM 0 HG2 GLU A 143 2.909 1.418 -13.004 1.00 23.14 H new ATOM 0 HG3 GLU A 143 1.802 1.217 -14.349 1.00 23.14 H new ATOM 2246 N GLN A 144 -1.389 -1.591 -11.617 1.00 61.31 N ATOM 2247 CA GLN A 144 -1.869 -2.884 -11.120 1.00 22.32 C ATOM 2248 C GLN A 144 -2.579 -3.668 -12.216 1.00 24.23 C ATOM 2249 O GLN A 144 -2.304 -4.847 -12.440 1.00 75.21 O ATOM 2250 CB GLN A 144 -2.848 -2.687 -9.968 1.00 61.13 C ATOM 2251 CG GLN A 144 -2.229 -2.663 -8.582 1.00 33.31 C ATOM 2252 CD GLN A 144 -1.531 -3.956 -8.229 1.00 33.40 C ATOM 2253 OE1 GLN A 144 -1.826 -5.009 -8.784 1.00 0.15 O ATOM 2254 NE2 GLN A 144 -0.642 -3.892 -7.262 1.00 71.13 N ATOM 0 H GLN A 144 -1.739 -0.786 -11.098 1.00 61.31 H new ATOM 0 HA GLN A 144 -0.995 -3.440 -10.781 1.00 22.32 H new ATOM 0 HB2 GLN A 144 -3.383 -1.750 -10.125 1.00 61.13 H new ATOM 0 HB3 GLN A 144 -3.588 -3.486 -10.003 1.00 61.13 H new ATOM 0 HG2 GLN A 144 -1.515 -1.842 -8.523 1.00 33.31 H new ATOM 0 HG3 GLN A 144 -3.007 -2.463 -7.845 1.00 33.31 H new ATOM 0 HE21 GLN A 144 -0.426 -2.995 -6.827 1.00 71.13 H new ATOM 0 HE22 GLN A 144 -0.169 -4.739 -6.947 1.00 71.13 H new ATOM 2263 N GLU A 145 -3.506 -3.005 -12.890 1.00 12.34 N ATOM 2264 CA GLU A 145 -4.317 -3.659 -13.902 1.00 51.14 C ATOM 2265 C GLU A 145 -3.628 -3.624 -15.267 1.00 14.42 C ATOM 2266 O GLU A 145 -3.780 -4.545 -16.075 1.00 45.11 O ATOM 2267 CB GLU A 145 -5.690 -2.989 -14.007 1.00 62.15 C ATOM 2268 CG GLU A 145 -6.441 -2.869 -12.712 1.00 64.33 C ATOM 2269 CD GLU A 145 -7.897 -2.520 -12.907 1.00 23.53 C ATOM 2270 OE1 GLU A 145 -8.212 -1.320 -13.044 1.00 31.41 O ATOM 2271 OE2 GLU A 145 -8.734 -3.448 -12.920 1.00 63.05 O ATOM 0 H GLU A 145 -3.714 -2.016 -12.754 1.00 12.34 H new ATOM 0 HA GLU A 145 -4.445 -4.699 -13.600 1.00 51.14 H new ATOM 0 HB2 GLU A 145 -5.559 -1.992 -14.427 1.00 62.15 H new ATOM 0 HB3 GLU A 145 -6.300 -3.554 -14.712 1.00 62.15 H new ATOM 0 HG2 GLU A 145 -6.368 -3.810 -12.167 1.00 64.33 H new ATOM 0 HG3 GLU A 145 -5.969 -2.105 -12.094 1.00 64.33 H new ATOM 2278 N LEU A 146 -2.872 -2.563 -15.515 1.00 2.34 N ATOM 2279 CA LEU A 146 -2.250 -2.337 -16.818 1.00 61.33 C ATOM 2280 C LEU A 146 -0.865 -2.956 -16.892 1.00 73.40 C ATOM 2281 O LEU A 146 -0.582 -3.798 -17.744 1.00 22.53 O ATOM 2282 CB LEU A 146 -2.111 -0.833 -17.077 1.00 72.43 C ATOM 2283 CG LEU A 146 -1.744 -0.450 -18.511 1.00 3.14 C ATOM 2284 CD1 LEU A 146 -2.843 -0.861 -19.481 1.00 55.33 C ATOM 2285 CD2 LEU A 146 -1.476 1.044 -18.604 1.00 34.00 C ATOM 0 H LEU A 146 -2.672 -1.838 -14.826 1.00 2.34 H new ATOM 0 HA LEU A 146 -2.891 -2.803 -17.567 1.00 61.33 H new ATOM 0 HB2 LEU A 146 -3.052 -0.348 -16.818 1.00 72.43 H new ATOM 0 HB3 LEU A 146 -1.351 -0.434 -16.406 1.00 72.43 H new ATOM 0 HG LEU A 146 -0.835 -0.984 -18.788 1.00 3.14 H new ATOM 0 HD11 LEU A 146 -2.558 -0.578 -20.494 1.00 55.33 H new ATOM 0 HD12 LEU A 146 -2.986 -1.940 -19.433 1.00 55.33 H new ATOM 0 HD13 LEU A 146 -3.772 -0.359 -19.212 1.00 55.33 H new ATOM 0 HD21 LEU A 146 -1.216 1.304 -19.630 1.00 34.00 H new ATOM 0 HD22 LEU A 146 -2.369 1.593 -18.306 1.00 34.00 H new ATOM 0 HD23 LEU A 146 -0.651 1.307 -17.943 1.00 34.00 H new ATOM 2297 N GLY A 147 -0.018 -2.525 -15.984 1.00 32.43 N ATOM 2298 CA GLY A 147 1.396 -2.792 -16.069 1.00 74.32 C ATOM 2299 C GLY A 147 2.161 -1.495 -15.935 1.00 41.12 C ATOM 2300 O GLY A 147 1.554 -0.423 -15.946 1.00 63.23 O ATOM 0 H GLY A 147 -0.292 -1.980 -15.167 1.00 32.43 H new ATOM 0 HA2 GLY A 147 1.694 -3.486 -15.283 1.00 74.32 H new ATOM 0 HA3 GLY A 147 1.631 -3.269 -17.021 1.00 74.32 H new