USER MOD reduce.3.24.130724 H: found=0, std=0, add=929, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 948 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 81 ASN : amide:sc= -4.85! C(o=-12!,f=-4.8!) USER MOD Set 1.2: A 98 HIS : no HD1:sc= -7.37! C(o=-12!,f=-4.8!) USER MOD Set 2.1: A 39 SER OG : rot 84:sc= 0.41 USER MOD Set 2.2: A 110 SER OG : rot 160:sc= 0.382 USER MOD Single : A 4 THR OG1 : rot -78:sc= -2.67! USER MOD Single : A 6 LYS NZ :NH3+ -131:sc= -0.938 (180deg=-2.11!) USER MOD Single : A 7 SER OG : rot -33:sc= 0.347 USER MOD Single : A 9 TYR OH : rot -175:sc= -3.68! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot -62:sc= 1.51 USER MOD Single : A 27 ASN : amide:sc= -0.0426 K(o=-0.043,f=-1.2!) USER MOD Single : A 33 CYS SG : rot -87:sc= -1.47! USER MOD Single : A 35 LYS NZ :NH3+ -147:sc= -0.614 (180deg=-2.69!) USER MOD Single : A 38 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.259) USER MOD Single : A 46 LYS NZ :NH3+ -109:sc= 0.438 (180deg=-2.69!) USER MOD Single : A 48 LYS NZ :NH3+ -154:sc= -2.67! (180deg=-3.19!) USER MOD Single : A 49 TYR OH : rot 91:sc= -4.58! USER MOD Single : A 56 THR OG1 : rot 118:sc= -0.196 USER MOD Single : A 59 GLN : amide:sc= -0.174 X(o=-0.17,f=-0.048) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.068 USER MOD Single : A 91 MET CE :methyl -160:sc= -0.842! (180deg=-2.5!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot -130:sc= -0.035 USER MOD Single : A 108 THR OG1 : rot 87:sc= -0.556 USER MOD Single : A 109 TYR OH : rot 180:sc= -1.25 USER MOD Single : A 113 ASN : amide:sc= -6.11! C(o=-6.1!,f=-13!) USER MOD ----------------------------------------------------------------- ATOM 69 N THR A 4 -10.953 -4.547 4.542 1.00 53.15 N ATOM 70 CA THR A 4 -11.172 -3.977 5.862 1.00 1.20 C ATOM 71 C THR A 4 -10.380 -2.677 6.019 1.00 34.02 C ATOM 72 O THR A 4 -10.957 -1.623 6.280 1.00 52.13 O ATOM 73 CB THR A 4 -10.807 -5.039 6.902 1.00 73.15 C ATOM 74 OG1 THR A 4 -9.387 -4.959 6.997 1.00 53.12 O ATOM 75 CG2 THR A 4 -11.068 -6.461 6.401 1.00 74.44 C ATOM 0 HA THR A 4 -12.217 -3.705 6.007 1.00 1.20 H new ATOM 0 HB THR A 4 -11.377 -4.865 7.815 1.00 73.15 H new ATOM 0 HG1 THR A 4 -8.982 -5.418 6.232 1.00 53.12 H new ATOM 0 HG21 THR A 4 -10.793 -7.176 7.176 1.00 74.44 H new ATOM 0 HG22 THR A 4 -12.125 -6.574 6.162 1.00 74.44 H new ATOM 0 HG23 THR A 4 -10.472 -6.647 5.507 1.00 74.44 H new ATOM 83 N PHE A 5 -9.070 -2.795 5.851 1.00 11.00 N ATOM 84 CA PHE A 5 -8.195 -1.643 5.971 1.00 22.31 C ATOM 85 C PHE A 5 -8.621 -0.528 5.013 1.00 41.51 C ATOM 86 O PHE A 5 -8.337 0.644 5.254 1.00 44.32 O ATOM 87 CB PHE A 5 -6.787 -2.110 5.595 1.00 64.21 C ATOM 88 CG PHE A 5 -5.720 -1.018 5.698 1.00 65.11 C ATOM 89 CD1 PHE A 5 -5.525 -0.365 6.876 1.00 75.11 C ATOM 90 CD2 PHE A 5 -4.967 -0.700 4.612 1.00 10.12 C ATOM 91 CE1 PHE A 5 -4.535 0.648 6.969 1.00 33.11 C ATOM 92 CE2 PHE A 5 -3.977 0.315 4.706 1.00 0.14 C ATOM 93 CZ PHE A 5 -3.782 0.967 5.884 1.00 2.25 C ATOM 0 H PHE A 5 -8.595 -3.671 5.633 1.00 11.00 H new ATOM 0 HA PHE A 5 -8.236 -1.249 6.986 1.00 22.31 H new ATOM 0 HB2 PHE A 5 -6.506 -2.940 6.243 1.00 64.21 H new ATOM 0 HB3 PHE A 5 -6.803 -2.493 4.575 1.00 64.21 H new ATOM 0 HD1 PHE A 5 -6.123 -0.617 7.739 1.00 75.11 H new ATOM 0 HD2 PHE A 5 -5.121 -1.219 3.677 1.00 10.12 H new ATOM 0 HE1 PHE A 5 -4.380 1.166 7.904 1.00 33.11 H new ATOM 0 HE2 PHE A 5 -3.380 0.569 3.843 1.00 0.14 H new ATOM 0 HZ PHE A 5 -3.029 1.738 5.957 1.00 2.25 H new ATOM 103 N LYS A 6 -9.295 -0.932 3.947 1.00 54.43 N ATOM 104 CA LYS A 6 -9.763 0.017 2.952 1.00 61.10 C ATOM 105 C LYS A 6 -11.251 0.295 3.180 1.00 23.11 C ATOM 106 O LYS A 6 -11.756 1.347 2.789 1.00 53.24 O ATOM 107 CB LYS A 6 -9.439 -0.481 1.542 1.00 72.11 C ATOM 108 CG LYS A 6 -7.945 -0.344 1.242 1.00 41.42 C ATOM 109 CD LYS A 6 -7.717 0.201 -0.169 1.00 55.05 C ATOM 110 CE LYS A 6 -8.710 -0.410 -1.159 1.00 11.24 C ATOM 111 NZ LYS A 6 -9.785 0.556 -1.479 1.00 41.43 N ATOM 0 H LYS A 6 -9.529 -1.905 3.750 1.00 54.43 H new ATOM 0 HA LYS A 6 -9.241 0.968 3.056 1.00 61.10 H new ATOM 0 HB2 LYS A 6 -9.739 -1.524 1.443 1.00 72.11 H new ATOM 0 HB3 LYS A 6 -10.014 0.087 0.811 1.00 72.11 H new ATOM 0 HG2 LYS A 6 -7.483 0.321 1.972 1.00 41.42 H new ATOM 0 HG3 LYS A 6 -7.459 -1.315 1.344 1.00 41.42 H new ATOM 0 HD2 LYS A 6 -7.822 1.286 -0.165 1.00 55.05 H new ATOM 0 HD3 LYS A 6 -6.698 -0.019 -0.488 1.00 55.05 H new ATOM 0 HE2 LYS A 6 -8.190 -0.700 -2.072 1.00 11.24 H new ATOM 0 HE3 LYS A 6 -9.142 -1.317 -0.736 1.00 11.24 H new ATOM 0 HZ1 LYS A 6 -10.710 0.091 -1.382 1.00 41.43 H new ATOM 0 HZ2 LYS A 6 -9.733 1.362 -0.824 1.00 41.43 H new ATOM 0 HZ3 LYS A 6 -9.668 0.895 -2.455 1.00 41.43 H new ATOM 125 N SER A 7 -11.910 -0.665 3.810 1.00 32.24 N ATOM 126 CA SER A 7 -13.330 -0.537 4.095 1.00 10.10 C ATOM 127 C SER A 7 -13.548 0.475 5.221 1.00 13.42 C ATOM 128 O SER A 7 -14.686 0.777 5.576 1.00 63.35 O ATOM 129 CB SER A 7 -13.941 -1.888 4.469 1.00 44.33 C ATOM 130 OG SER A 7 -15.357 -1.814 4.608 1.00 52.21 O ATOM 0 H SER A 7 -11.487 -1.536 4.132 1.00 32.24 H new ATOM 0 HA SER A 7 -13.829 -0.181 3.194 1.00 10.10 H new ATOM 0 HB2 SER A 7 -13.690 -2.623 3.705 1.00 44.33 H new ATOM 0 HB3 SER A 7 -13.503 -2.238 5.404 1.00 44.33 H new ATOM 0 HG SER A 7 -15.606 -0.933 4.958 1.00 52.21 H new ATOM 136 N GLU A 8 -12.440 0.972 5.750 1.00 33.03 N ATOM 137 CA GLU A 8 -12.496 1.943 6.829 1.00 53.01 C ATOM 138 C GLU A 8 -12.624 3.359 6.263 1.00 75.05 C ATOM 139 O GLU A 8 -13.516 4.108 6.655 1.00 11.10 O ATOM 140 CB GLU A 8 -11.271 1.826 7.739 1.00 50.33 C ATOM 141 CG GLU A 8 -11.625 2.177 9.185 1.00 33.05 C ATOM 142 CD GLU A 8 -12.267 0.986 9.898 1.00 44.11 C ATOM 143 OE1 GLU A 8 -11.636 0.373 10.772 1.00 71.32 O ATOM 144 OE2 GLU A 8 -13.466 0.703 9.514 1.00 31.12 O ATOM 0 H GLU A 8 -11.498 0.720 5.451 1.00 33.03 H new ATOM 0 HA GLU A 8 -13.378 1.732 7.434 1.00 53.01 H new ATOM 0 HB2 GLU A 8 -10.876 0.811 7.694 1.00 50.33 H new ATOM 0 HB3 GLU A 8 -10.484 2.490 7.382 1.00 50.33 H new ATOM 0 HG2 GLU A 8 -10.725 2.483 9.719 1.00 33.05 H new ATOM 0 HG3 GLU A 8 -12.309 3.026 9.200 1.00 33.05 H new ATOM 152 N TYR A 9 -11.720 3.681 5.350 1.00 11.51 N ATOM 153 CA TYR A 9 -11.721 4.993 4.726 1.00 34.03 C ATOM 154 C TYR A 9 -11.779 4.874 3.201 1.00 13.04 C ATOM 155 O TYR A 9 -11.572 3.793 2.650 1.00 20.14 O ATOM 156 CB TYR A 9 -10.399 5.649 5.124 1.00 23.45 C ATOM 157 CG TYR A 9 -9.221 4.677 5.212 1.00 45.31 C ATOM 158 CD1 TYR A 9 -8.445 4.430 4.100 1.00 32.35 C ATOM 159 CD2 TYR A 9 -8.936 4.046 6.407 1.00 31.32 C ATOM 160 CE1 TYR A 9 -7.337 3.514 4.183 1.00 14.04 C ATOM 161 CE2 TYR A 9 -7.828 3.131 6.490 1.00 14.01 C ATOM 162 CZ TYR A 9 -7.082 2.910 5.375 1.00 24.23 C ATOM 163 OH TYR A 9 -6.036 2.045 5.452 1.00 62.13 O ATOM 0 H TYR A 9 -10.982 3.056 5.027 1.00 11.51 H new ATOM 0 HA TYR A 9 -12.588 5.571 5.047 1.00 34.03 H new ATOM 0 HB2 TYR A 9 -10.160 6.428 4.400 1.00 23.45 H new ATOM 0 HB3 TYR A 9 -10.525 6.139 6.090 1.00 23.45 H new ATOM 0 HD1 TYR A 9 -8.668 4.924 3.166 1.00 32.35 H new ATOM 0 HD2 TYR A 9 -9.544 4.239 7.278 1.00 31.32 H new ATOM 0 HE1 TYR A 9 -6.722 3.311 3.318 1.00 14.04 H new ATOM 0 HE2 TYR A 9 -7.594 2.631 7.418 1.00 14.01 H new ATOM 0 HH TYR A 9 -6.023 1.626 6.338 1.00 62.13 H new ATOM 173 N PRO A 10 -12.068 6.030 2.545 1.00 21.33 N ATOM 174 CA PRO A 10 -12.155 6.066 1.095 1.00 5.43 C ATOM 175 C PRO A 10 -10.763 6.014 0.461 1.00 23.30 C ATOM 176 O PRO A 10 -9.760 5.896 1.163 1.00 24.20 O ATOM 177 CB PRO A 10 -12.904 7.350 0.778 1.00 2.54 C ATOM 178 CG PRO A 10 -12.801 8.212 2.026 1.00 23.32 C ATOM 179 CD PRO A 10 -12.318 7.328 3.163 1.00 44.44 C ATOM 0 HA PRO A 10 -12.678 5.203 0.683 1.00 5.43 H new ATOM 0 HB2 PRO A 10 -12.466 7.855 -0.083 1.00 2.54 H new ATOM 0 HB3 PRO A 10 -13.945 7.144 0.531 1.00 2.54 H new ATOM 0 HG2 PRO A 10 -12.108 9.038 1.864 1.00 23.32 H new ATOM 0 HG3 PRO A 10 -13.769 8.651 2.268 1.00 23.32 H new ATOM 0 HD2 PRO A 10 -11.413 7.730 3.620 1.00 44.44 H new ATOM 0 HD3 PRO A 10 -13.067 7.253 3.952 1.00 44.44 H new ATOM 187 N PHE A 11 -10.747 6.103 -0.861 1.00 12.11 N ATOM 188 CA PHE A 11 -9.495 6.066 -1.597 1.00 25.15 C ATOM 189 C PHE A 11 -8.602 7.251 -1.220 1.00 3.34 C ATOM 190 O PHE A 11 -7.495 7.061 -0.717 1.00 13.02 O ATOM 191 CB PHE A 11 -9.848 6.164 -3.083 1.00 73.12 C ATOM 192 CG PHE A 11 -8.655 6.481 -3.987 1.00 53.51 C ATOM 193 CD1 PHE A 11 -8.298 7.773 -4.214 1.00 3.24 C ATOM 194 CD2 PHE A 11 -7.951 5.470 -4.564 1.00 64.31 C ATOM 195 CE1 PHE A 11 -7.191 8.068 -5.052 1.00 60.21 C ATOM 196 CE2 PHE A 11 -6.843 5.764 -5.403 1.00 0.24 C ATOM 197 CZ PHE A 11 -6.486 7.058 -5.629 1.00 72.02 C ATOM 0 H PHE A 11 -11.580 6.201 -1.441 1.00 12.11 H new ATOM 0 HA PHE A 11 -8.954 5.149 -1.365 1.00 25.15 H new ATOM 0 HB2 PHE A 11 -10.293 5.222 -3.403 1.00 73.12 H new ATOM 0 HB3 PHE A 11 -10.606 6.936 -3.216 1.00 73.12 H new ATOM 0 HD1 PHE A 11 -8.857 8.576 -3.756 1.00 3.24 H new ATOM 0 HD2 PHE A 11 -8.235 4.444 -4.384 1.00 64.31 H new ATOM 0 HE1 PHE A 11 -6.908 9.095 -5.232 1.00 60.21 H new ATOM 0 HE2 PHE A 11 -6.284 4.961 -5.861 1.00 0.24 H new ATOM 0 HZ PHE A 11 -5.643 7.283 -6.266 1.00 72.02 H new ATOM 207 N GLU A 12 -9.116 8.444 -1.476 1.00 32.21 N ATOM 208 CA GLU A 12 -8.379 9.658 -1.170 1.00 43.50 C ATOM 209 C GLU A 12 -7.632 9.504 0.156 1.00 41.32 C ATOM 210 O GLU A 12 -6.562 10.082 0.341 1.00 72.13 O ATOM 211 CB GLU A 12 -9.310 10.871 -1.137 1.00 61.12 C ATOM 212 CG GLU A 12 -9.312 11.597 -2.484 1.00 72.25 C ATOM 213 CD GLU A 12 -10.390 12.683 -2.520 1.00 53.25 C ATOM 214 OE1 GLU A 12 -11.532 12.410 -2.919 1.00 30.14 O ATOM 215 OE2 GLU A 12 -10.007 13.846 -2.112 1.00 20.32 O ATOM 0 H GLU A 12 -10.035 8.596 -1.892 1.00 32.21 H new ATOM 0 HA GLU A 12 -7.647 9.825 -1.960 1.00 43.50 H new ATOM 0 HB2 GLU A 12 -10.322 10.550 -0.891 1.00 61.12 H new ATOM 0 HB3 GLU A 12 -8.993 11.556 -0.351 1.00 61.12 H new ATOM 0 HG2 GLU A 12 -8.334 12.044 -2.662 1.00 72.25 H new ATOM 0 HG3 GLU A 12 -9.485 10.881 -3.287 1.00 72.25 H new ATOM 223 N LYS A 13 -8.226 8.721 1.045 1.00 5.43 N ATOM 224 CA LYS A 13 -7.629 8.485 2.349 1.00 64.41 C ATOM 225 C LYS A 13 -6.389 7.603 2.186 1.00 40.34 C ATOM 226 O LYS A 13 -5.300 7.970 2.627 1.00 3.22 O ATOM 227 CB LYS A 13 -8.667 7.911 3.317 1.00 65.01 C ATOM 228 CG LYS A 13 -9.330 9.023 4.132 1.00 14.12 C ATOM 229 CD LYS A 13 -8.287 9.829 4.910 1.00 72.31 C ATOM 230 CE LYS A 13 -8.902 10.451 6.165 1.00 2.41 C ATOM 231 NZ LYS A 13 -7.843 10.837 7.124 1.00 34.20 N ATOM 0 H LYS A 13 -9.113 8.243 0.888 1.00 5.43 H new ATOM 0 HA LYS A 13 -7.297 9.424 2.791 1.00 64.41 H new ATOM 0 HB2 LYS A 13 -9.426 7.362 2.759 1.00 65.01 H new ATOM 0 HB3 LYS A 13 -8.188 7.199 3.989 1.00 65.01 H new ATOM 0 HG2 LYS A 13 -9.884 9.685 3.467 1.00 14.12 H new ATOM 0 HG3 LYS A 13 -10.051 8.590 4.825 1.00 14.12 H new ATOM 0 HD2 LYS A 13 -7.456 9.181 5.190 1.00 72.31 H new ATOM 0 HD3 LYS A 13 -7.879 10.614 4.273 1.00 72.31 H new ATOM 0 HE2 LYS A 13 -9.491 11.327 5.893 1.00 2.41 H new ATOM 0 HE3 LYS A 13 -9.584 9.741 6.633 1.00 2.41 H new ATOM 0 HZ1 LYS A 13 -8.277 11.258 7.970 1.00 34.20 H new ATOM 0 HZ2 LYS A 13 -7.298 9.994 7.397 1.00 34.20 H new ATOM 0 HZ3 LYS A 13 -7.208 11.531 6.680 1.00 34.20 H new ATOM 245 N ARG A 14 -6.593 6.461 1.549 1.00 61.35 N ATOM 246 CA ARG A 14 -5.504 5.525 1.321 1.00 70.54 C ATOM 247 C ARG A 14 -4.354 6.219 0.591 1.00 72.40 C ATOM 248 O ARG A 14 -3.237 6.286 1.106 1.00 21.25 O ATOM 249 CB ARG A 14 -5.973 4.325 0.497 1.00 65.45 C ATOM 250 CG ARG A 14 -4.787 3.461 0.063 1.00 13.40 C ATOM 251 CD ARG A 14 -4.082 2.849 1.275 1.00 22.22 C ATOM 252 NE ARG A 14 -4.696 1.546 1.613 1.00 41.21 N ATOM 253 CZ ARG A 14 -4.695 0.473 0.794 1.00 43.14 C ATOM 254 NH1 ARG A 14 -4.110 0.541 -0.422 1.00 33.03 N ATOM 255 NH2 ARG A 14 -5.273 -0.642 1.198 1.00 2.22 N ATOM 0 H ARG A 14 -7.497 6.161 1.183 1.00 61.35 H new ATOM 0 HA ARG A 14 -5.161 5.171 2.293 1.00 70.54 H new ATOM 0 HB2 ARG A 14 -6.669 3.726 1.084 1.00 65.45 H new ATOM 0 HB3 ARG A 14 -6.515 4.673 -0.382 1.00 65.45 H new ATOM 0 HG2 ARG A 14 -5.133 2.668 -0.599 1.00 13.40 H new ATOM 0 HG3 ARG A 14 -4.081 4.066 -0.506 1.00 13.40 H new ATOM 0 HD2 ARG A 14 -3.022 2.716 1.060 1.00 22.22 H new ATOM 0 HD3 ARG A 14 -4.152 3.525 2.127 1.00 22.22 H new ATOM 0 HE ARG A 14 -5.149 1.453 2.522 1.00 41.21 H new ATOM 0 HH11 ARG A 14 -3.665 1.407 -0.726 1.00 33.03 H new ATOM 0 HH12 ARG A 14 -4.113 -0.274 -1.036 1.00 33.03 H new ATOM 0 HH21 ARG A 14 -5.712 -0.685 2.118 1.00 2.22 H new ATOM 0 HH22 ARG A 14 -5.281 -1.461 0.591 1.00 2.22 H new ATOM 269 N LYS A 15 -4.662 6.717 -0.597 1.00 2.20 N ATOM 270 CA LYS A 15 -3.666 7.404 -1.402 1.00 31.35 C ATOM 271 C LYS A 15 -2.830 8.319 -0.504 1.00 5.31 C ATOM 272 O LYS A 15 -1.604 8.327 -0.593 1.00 31.23 O ATOM 273 CB LYS A 15 -4.332 8.133 -2.571 1.00 63.02 C ATOM 274 CG LYS A 15 -4.594 9.599 -2.225 1.00 33.43 C ATOM 275 CD LYS A 15 -5.311 10.315 -3.373 1.00 1.00 C ATOM 276 CE LYS A 15 -5.381 11.822 -3.121 1.00 21.04 C ATOM 277 NZ LYS A 15 -5.853 12.528 -4.333 1.00 61.42 N ATOM 0 H LYS A 15 -5.587 6.659 -1.022 1.00 2.20 H new ATOM 0 HA LYS A 15 -2.980 6.686 -1.852 1.00 31.35 H new ATOM 0 HB2 LYS A 15 -3.694 8.072 -3.453 1.00 63.02 H new ATOM 0 HB3 LYS A 15 -5.272 7.642 -2.823 1.00 63.02 H new ATOM 0 HG2 LYS A 15 -5.198 9.660 -1.320 1.00 33.43 H new ATOM 0 HG3 LYS A 15 -3.650 10.100 -2.012 1.00 33.43 H new ATOM 0 HD2 LYS A 15 -4.787 10.123 -4.309 1.00 1.00 H new ATOM 0 HD3 LYS A 15 -6.319 9.914 -3.484 1.00 1.00 H new ATOM 0 HE2 LYS A 15 -6.054 12.027 -2.288 1.00 21.04 H new ATOM 0 HE3 LYS A 15 -4.398 12.195 -2.835 1.00 21.04 H new ATOM 0 HZ1 LYS A 15 -5.895 13.550 -4.145 1.00 61.42 H new ATOM 0 HZ2 LYS A 15 -5.196 12.347 -5.118 1.00 61.42 H new ATOM 0 HZ3 LYS A 15 -6.801 12.184 -4.588 1.00 61.42 H new ATOM 291 N ALA A 16 -3.528 9.064 0.340 1.00 43.45 N ATOM 292 CA ALA A 16 -2.866 9.978 1.254 1.00 33.41 C ATOM 293 C ALA A 16 -1.766 9.231 2.009 1.00 52.13 C ATOM 294 O ALA A 16 -0.649 9.728 2.140 1.00 11.03 O ATOM 295 CB ALA A 16 -3.901 10.601 2.194 1.00 50.03 C ATOM 0 H ALA A 16 -4.546 9.053 0.410 1.00 43.45 H new ATOM 0 HA ALA A 16 -2.393 10.793 0.706 1.00 33.41 H new ATOM 0 HB1 ALA A 16 -3.403 11.287 2.880 1.00 50.03 H new ATOM 0 HB2 ALA A 16 -4.642 11.146 1.609 1.00 50.03 H new ATOM 0 HB3 ALA A 16 -4.396 9.814 2.763 1.00 50.03 H new ATOM 301 N GLU A 17 -2.122 8.048 2.490 1.00 45.42 N ATOM 302 CA GLU A 17 -1.179 7.226 3.230 1.00 11.22 C ATOM 303 C GLU A 17 0.132 7.092 2.452 1.00 13.51 C ATOM 304 O GLU A 17 1.206 7.016 3.047 1.00 44.12 O ATOM 305 CB GLU A 17 -1.774 5.853 3.542 1.00 32.21 C ATOM 306 CG GLU A 17 -0.821 5.023 4.401 1.00 41.44 C ATOM 307 CD GLU A 17 -1.489 3.731 4.872 1.00 1.55 C ATOM 308 OE1 GLU A 17 -2.399 3.222 4.199 1.00 64.25 O ATOM 309 OE2 GLU A 17 -1.033 3.251 5.979 1.00 63.21 O ATOM 0 H GLU A 17 -3.050 7.639 2.382 1.00 45.42 H new ATOM 0 HA GLU A 17 -0.967 7.717 4.180 1.00 11.22 H new ATOM 0 HB2 GLU A 17 -2.724 5.975 4.062 1.00 32.21 H new ATOM 0 HB3 GLU A 17 -1.984 5.324 2.612 1.00 32.21 H new ATOM 0 HG2 GLU A 17 0.076 4.785 3.829 1.00 41.44 H new ATOM 0 HG3 GLU A 17 -0.502 5.607 5.264 1.00 41.44 H new ATOM 317 N SER A 18 0.001 7.068 1.135 1.00 32.43 N ATOM 318 CA SER A 18 1.161 6.943 0.269 1.00 63.41 C ATOM 319 C SER A 18 1.849 8.303 0.118 1.00 73.40 C ATOM 320 O SER A 18 3.041 8.369 -0.180 1.00 73.04 O ATOM 321 CB SER A 18 0.770 6.392 -1.103 1.00 72.20 C ATOM 322 OG SER A 18 -0.561 5.884 -1.113 1.00 23.24 O ATOM 0 H SER A 18 -0.891 7.133 0.645 1.00 32.43 H new ATOM 0 HA SER A 18 1.855 6.239 0.728 1.00 63.41 H new ATOM 0 HB2 SER A 18 0.863 7.180 -1.850 1.00 72.20 H new ATOM 0 HB3 SER A 18 1.463 5.600 -1.387 1.00 72.20 H new ATOM 0 HG SER A 18 -0.631 5.137 -0.483 1.00 23.24 H new ATOM 328 N GLU A 19 1.069 9.353 0.332 1.00 72.31 N ATOM 329 CA GLU A 19 1.589 10.704 0.224 1.00 1.34 C ATOM 330 C GLU A 19 2.570 10.989 1.362 1.00 3.30 C ATOM 331 O GLU A 19 3.484 11.799 1.212 1.00 22.02 O ATOM 332 CB GLU A 19 0.452 11.728 0.211 1.00 51.31 C ATOM 333 CG GLU A 19 -0.563 11.405 -0.886 1.00 25.43 C ATOM 334 CD GLU A 19 -1.676 12.457 -0.931 1.00 10.12 C ATOM 335 OE1 GLU A 19 -2.239 12.717 -2.004 1.00 65.44 O ATOM 336 OE2 GLU A 19 -1.948 13.009 0.202 1.00 13.54 O ATOM 0 H GLU A 19 0.081 9.294 0.580 1.00 72.31 H new ATOM 0 HA GLU A 19 2.125 10.792 -0.721 1.00 1.34 H new ATOM 0 HB2 GLU A 19 -0.046 11.737 1.181 1.00 51.31 H new ATOM 0 HB3 GLU A 19 0.859 12.727 0.052 1.00 51.31 H new ATOM 0 HG2 GLU A 19 -0.059 11.362 -1.852 1.00 25.43 H new ATOM 0 HG3 GLU A 19 -0.995 10.420 -0.708 1.00 25.43 H new ATOM 344 N ARG A 20 2.348 10.307 2.477 1.00 64.42 N ATOM 345 CA ARG A 20 3.201 10.477 3.641 1.00 61.32 C ATOM 346 C ARG A 20 4.205 9.327 3.734 1.00 72.54 C ATOM 347 O ARG A 20 5.338 9.522 4.172 1.00 12.42 O ATOM 348 CB ARG A 20 2.374 10.530 4.927 1.00 21.21 C ATOM 349 CG ARG A 20 1.388 9.362 4.993 1.00 4.23 C ATOM 350 CD ARG A 20 0.968 9.080 6.438 1.00 54.55 C ATOM 351 NE ARG A 20 -0.159 9.963 6.816 1.00 51.32 N ATOM 352 CZ ARG A 20 -0.749 9.957 8.030 1.00 55.13 C ATOM 353 NH1 ARG A 20 -0.324 9.114 8.996 1.00 61.44 N ATOM 354 NH2 ARG A 20 -1.749 10.788 8.260 1.00 74.03 N ATOM 0 H ARG A 20 1.590 9.636 2.598 1.00 64.42 H new ATOM 0 HA ARG A 20 3.734 11.421 3.527 1.00 61.32 H new ATOM 0 HB2 ARG A 20 3.037 10.500 5.792 1.00 21.21 H new ATOM 0 HB3 ARG A 20 1.830 11.473 4.975 1.00 21.21 H new ATOM 0 HG2 ARG A 20 0.507 9.590 4.392 1.00 4.23 H new ATOM 0 HG3 ARG A 20 1.845 8.471 4.563 1.00 4.23 H new ATOM 0 HD2 ARG A 20 0.674 8.036 6.543 1.00 54.55 H new ATOM 0 HD3 ARG A 20 1.811 9.244 7.110 1.00 54.55 H new ATOM 0 HE ARG A 20 -0.511 10.616 6.116 1.00 51.32 H new ATOM 0 HH11 ARG A 20 0.449 8.475 8.811 1.00 61.44 H new ATOM 0 HH12 ARG A 20 -0.776 9.117 9.910 1.00 61.44 H new ATOM 0 HH21 ARG A 20 -2.065 11.422 7.526 1.00 74.03 H new ATOM 0 HH22 ARG A 20 -2.206 10.796 9.172 1.00 74.03 H new ATOM 368 N ILE A 21 3.754 8.154 3.317 1.00 62.20 N ATOM 369 CA ILE A 21 4.598 6.971 3.349 1.00 14.54 C ATOM 370 C ILE A 21 5.762 7.155 2.372 1.00 33.24 C ATOM 371 O ILE A 21 6.790 6.491 2.492 1.00 12.23 O ATOM 372 CB ILE A 21 3.770 5.713 3.087 1.00 70.13 C ATOM 373 CG1 ILE A 21 3.049 5.257 4.358 1.00 52.51 C ATOM 374 CG2 ILE A 21 4.633 4.602 2.488 1.00 40.52 C ATOM 375 CD1 ILE A 21 2.319 3.931 4.129 1.00 64.42 C ATOM 0 H ILE A 21 2.814 7.997 2.954 1.00 62.20 H new ATOM 0 HA ILE A 21 5.030 6.838 4.341 1.00 14.54 H new ATOM 0 HB ILE A 21 3.004 5.956 2.351 1.00 70.13 H new ATOM 0 HG12 ILE A 21 3.769 5.144 5.168 1.00 52.51 H new ATOM 0 HG13 ILE A 21 2.336 6.020 4.669 1.00 52.51 H new ATOM 0 HG21 ILE A 21 4.019 3.719 2.312 1.00 40.52 H new ATOM 0 HG22 ILE A 21 5.060 4.942 1.544 1.00 40.52 H new ATOM 0 HG23 ILE A 21 5.437 4.352 3.180 1.00 40.52 H new ATOM 0 HD11 ILE A 21 1.815 3.630 5.047 1.00 64.42 H new ATOM 0 HD12 ILE A 21 1.583 4.053 3.335 1.00 64.42 H new ATOM 0 HD13 ILE A 21 3.039 3.164 3.842 1.00 64.42 H new ATOM 387 N ALA A 22 5.560 8.062 1.426 1.00 53.32 N ATOM 388 CA ALA A 22 6.580 8.341 0.429 1.00 24.25 C ATOM 389 C ALA A 22 7.594 9.332 1.007 1.00 24.12 C ATOM 390 O ALA A 22 8.684 9.500 0.460 1.00 11.34 O ATOM 391 CB ALA A 22 5.917 8.864 -0.847 1.00 5.11 C ATOM 0 H ALA A 22 4.706 8.612 1.329 1.00 53.32 H new ATOM 0 HA ALA A 22 7.120 7.431 0.167 1.00 24.25 H new ATOM 0 HB1 ALA A 22 6.682 9.073 -1.595 1.00 5.11 H new ATOM 0 HB2 ALA A 22 5.228 8.113 -1.233 1.00 5.11 H new ATOM 0 HB3 ALA A 22 5.368 9.779 -0.623 1.00 5.11 H new ATOM 397 N ASP A 23 7.201 9.959 2.104 1.00 25.10 N ATOM 398 CA ASP A 23 8.062 10.928 2.763 1.00 52.05 C ATOM 399 C ASP A 23 8.631 10.311 4.042 1.00 73.32 C ATOM 400 O ASP A 23 9.677 10.738 4.528 1.00 52.31 O ATOM 401 CB ASP A 23 7.281 12.185 3.149 1.00 42.33 C ATOM 402 CG ASP A 23 8.101 13.260 3.867 1.00 74.04 C ATOM 403 OD1 ASP A 23 7.983 13.443 5.088 1.00 25.13 O ATOM 404 OD2 ASP A 23 8.897 13.934 3.109 1.00 10.42 O ATOM 0 H ASP A 23 6.297 9.816 2.555 1.00 25.10 H new ATOM 0 HA ASP A 23 8.859 11.198 2.070 1.00 52.05 H new ATOM 0 HB2 ASP A 23 6.851 12.619 2.246 1.00 42.33 H new ATOM 0 HB3 ASP A 23 6.449 11.895 3.790 1.00 42.33 H new ATOM 410 N ARG A 24 7.918 9.318 4.550 1.00 2.03 N ATOM 411 CA ARG A 24 8.339 8.638 5.764 1.00 72.20 C ATOM 412 C ARG A 24 9.203 7.424 5.419 1.00 42.41 C ATOM 413 O ARG A 24 10.323 7.295 5.911 1.00 42.21 O ATOM 414 CB ARG A 24 7.133 8.180 6.585 1.00 3.23 C ATOM 415 CG ARG A 24 6.623 9.307 7.487 1.00 41.44 C ATOM 416 CD ARG A 24 6.217 8.769 8.860 1.00 53.35 C ATOM 417 NE ARG A 24 5.211 7.695 8.705 1.00 3.11 N ATOM 418 CZ ARG A 24 4.810 6.884 9.707 1.00 64.41 C ATOM 419 NH1 ARG A 24 5.326 7.019 10.947 1.00 24.30 N ATOM 420 NH2 ARG A 24 3.904 5.956 9.456 1.00 54.54 N ATOM 0 H ARG A 24 7.051 8.967 4.144 1.00 2.03 H new ATOM 0 HA ARG A 24 8.920 9.345 6.356 1.00 72.20 H new ATOM 0 HB2 ARG A 24 6.336 7.855 5.916 1.00 3.23 H new ATOM 0 HB3 ARG A 24 7.409 7.319 7.194 1.00 3.23 H new ATOM 0 HG2 ARG A 24 7.399 10.063 7.604 1.00 41.44 H new ATOM 0 HG3 ARG A 24 5.770 9.796 7.017 1.00 41.44 H new ATOM 0 HD2 ARG A 24 7.093 8.385 9.383 1.00 53.35 H new ATOM 0 HD3 ARG A 24 5.809 9.575 9.470 1.00 53.35 H new ATOM 0 HE ARG A 24 4.795 7.559 7.784 1.00 3.11 H new ATOM 0 HH11 ARG A 24 6.025 7.738 11.133 1.00 24.30 H new ATOM 0 HH12 ARG A 24 5.017 6.402 11.698 1.00 24.30 H new ATOM 0 HH21 ARG A 24 3.518 5.861 8.516 1.00 54.54 H new ATOM 0 HH22 ARG A 24 3.590 5.335 10.202 1.00 54.54 H new ATOM 434 N PHE A 25 8.650 6.564 4.576 1.00 64.32 N ATOM 435 CA PHE A 25 9.357 5.364 4.160 1.00 21.45 C ATOM 436 C PHE A 25 9.308 5.197 2.640 1.00 22.31 C ATOM 437 O PHE A 25 8.445 4.496 2.116 1.00 4.20 O ATOM 438 CB PHE A 25 8.646 4.177 4.814 1.00 21.33 C ATOM 439 CG PHE A 25 8.079 4.479 6.202 1.00 40.00 C ATOM 440 CD1 PHE A 25 8.900 4.927 7.190 1.00 31.32 C ATOM 441 CD2 PHE A 25 6.753 4.301 6.449 1.00 62.14 C ATOM 442 CE1 PHE A 25 8.373 5.209 8.478 1.00 64.13 C ATOM 443 CE2 PHE A 25 6.227 4.581 7.738 1.00 33.12 C ATOM 444 CZ PHE A 25 7.048 5.030 8.725 1.00 35.34 C ATOM 0 H PHE A 25 7.721 6.674 4.170 1.00 64.32 H new ATOM 0 HA PHE A 25 10.404 5.427 4.458 1.00 21.45 H new ATOM 0 HB2 PHE A 25 7.834 3.850 4.164 1.00 21.33 H new ATOM 0 HB3 PHE A 25 9.346 3.345 4.892 1.00 21.33 H new ATOM 0 HD1 PHE A 25 9.953 5.068 6.995 1.00 31.32 H new ATOM 0 HD2 PHE A 25 6.100 3.947 5.665 1.00 62.14 H new ATOM 0 HE1 PHE A 25 9.025 5.566 9.262 1.00 64.13 H new ATOM 0 HE2 PHE A 25 5.175 4.437 7.935 1.00 33.12 H new ATOM 0 HZ PHE A 25 6.648 5.244 9.705 1.00 35.34 H new ATOM 454 N PRO A 26 10.270 5.874 1.957 1.00 41.11 N ATOM 455 CA PRO A 26 10.345 5.809 0.506 1.00 13.25 C ATOM 456 C PRO A 26 10.914 4.465 0.047 1.00 62.02 C ATOM 457 O PRO A 26 10.608 3.999 -1.048 1.00 74.20 O ATOM 458 CB PRO A 26 11.213 6.989 0.104 1.00 14.12 C ATOM 459 CG PRO A 26 11.970 7.398 1.356 1.00 11.53 C ATOM 460 CD PRO A 26 11.309 6.716 2.544 1.00 22.31 C ATOM 0 HA PRO A 26 9.366 5.872 0.031 1.00 13.25 H new ATOM 0 HB2 PRO A 26 11.901 6.713 -0.695 1.00 14.12 H new ATOM 0 HB3 PRO A 26 10.604 7.812 -0.270 1.00 14.12 H new ATOM 0 HG2 PRO A 26 13.017 7.105 1.282 1.00 11.53 H new ATOM 0 HG3 PRO A 26 11.950 8.481 1.478 1.00 11.53 H new ATOM 0 HD2 PRO A 26 12.027 6.122 3.110 1.00 22.31 H new ATOM 0 HD3 PRO A 26 10.885 7.446 3.234 1.00 22.31 H new ATOM 468 N ASN A 27 11.733 3.879 0.909 1.00 3.54 N ATOM 469 CA ASN A 27 12.348 2.598 0.606 1.00 53.31 C ATOM 470 C ASN A 27 11.465 1.472 1.149 1.00 42.04 C ATOM 471 O ASN A 27 11.970 0.464 1.640 1.00 41.30 O ATOM 472 CB ASN A 27 13.724 2.478 1.262 1.00 71.12 C ATOM 473 CG ASN A 27 14.776 3.262 0.476 1.00 53.14 C ATOM 474 OD1 ASN A 27 14.730 3.369 -0.738 1.00 72.44 O ATOM 475 ND2 ASN A 27 15.727 3.803 1.233 1.00 54.31 N ATOM 0 H ASN A 27 11.985 4.268 1.818 1.00 3.54 H new ATOM 0 HA ASN A 27 12.457 2.524 -0.476 1.00 53.31 H new ATOM 0 HB2 ASN A 27 13.677 2.851 2.285 1.00 71.12 H new ATOM 0 HB3 ASN A 27 14.014 1.429 1.318 1.00 71.12 H new ATOM 0 HD21 ASN A 27 16.476 4.345 0.802 1.00 54.31 H new ATOM 0 HD22 ASN A 27 15.707 3.676 2.245 1.00 54.31 H new ATOM 482 N ARG A 28 10.161 1.682 1.043 1.00 14.04 N ATOM 483 CA ARG A 28 9.204 0.699 1.519 1.00 70.34 C ATOM 484 C ARG A 28 8.332 0.205 0.361 1.00 20.11 C ATOM 485 O ARG A 28 8.422 0.720 -0.752 1.00 11.54 O ATOM 486 CB ARG A 28 8.307 1.284 2.610 1.00 32.42 C ATOM 487 CG ARG A 28 8.947 1.124 3.990 1.00 75.13 C ATOM 488 CD ARG A 28 9.123 -0.355 4.344 1.00 41.41 C ATOM 489 NE ARG A 28 9.113 -0.528 5.814 1.00 33.42 N ATOM 490 CZ ARG A 28 10.088 -0.081 6.636 1.00 25.54 C ATOM 491 NH1 ARG A 28 11.160 0.570 6.135 1.00 25.31 N ATOM 492 NH2 ARG A 28 9.978 -0.291 7.933 1.00 71.52 N ATOM 0 H ARG A 28 9.745 2.519 0.634 1.00 14.04 H new ATOM 0 HA ARG A 28 9.767 -0.135 1.938 1.00 70.34 H new ATOM 0 HB2 ARG A 28 8.126 2.340 2.409 1.00 32.42 H new ATOM 0 HB3 ARG A 28 7.338 0.786 2.595 1.00 32.42 H new ATOM 0 HG2 ARG A 28 9.916 1.623 4.006 1.00 75.13 H new ATOM 0 HG3 ARG A 28 8.325 1.610 4.742 1.00 75.13 H new ATOM 0 HD2 ARG A 28 8.322 -0.943 3.895 1.00 41.41 H new ATOM 0 HD3 ARG A 28 10.061 -0.727 3.932 1.00 41.41 H new ATOM 0 HE ARG A 28 8.321 -1.015 6.233 1.00 33.42 H new ATOM 0 HH11 ARG A 28 11.237 0.727 5.130 1.00 25.31 H new ATOM 0 HH12 ARG A 28 11.892 0.905 6.761 1.00 25.31 H new ATOM 0 HH21 ARG A 28 9.166 -0.785 8.303 1.00 71.52 H new ATOM 0 HH22 ARG A 28 10.705 0.040 8.567 1.00 71.52 H new ATOM 506 N ILE A 29 7.506 -0.786 0.665 1.00 73.21 N ATOM 507 CA ILE A 29 6.619 -1.354 -0.336 1.00 73.02 C ATOM 508 C ILE A 29 5.236 -1.577 0.283 1.00 4.10 C ATOM 509 O ILE A 29 4.972 -2.633 0.855 1.00 71.12 O ATOM 510 CB ILE A 29 7.232 -2.617 -0.942 1.00 63.20 C ATOM 511 CG1 ILE A 29 8.645 -2.344 -1.462 1.00 33.13 C ATOM 512 CG2 ILE A 29 6.324 -3.203 -2.024 1.00 31.31 C ATOM 513 CD1 ILE A 29 8.604 -1.541 -2.763 1.00 4.23 C ATOM 0 H ILE A 29 7.433 -1.210 1.590 1.00 73.21 H new ATOM 0 HA ILE A 29 6.490 -0.661 -1.167 1.00 73.02 H new ATOM 0 HB ILE A 29 7.318 -3.367 -0.156 1.00 63.20 H new ATOM 0 HG12 ILE A 29 9.214 -1.797 -0.710 1.00 33.13 H new ATOM 0 HG13 ILE A 29 9.164 -3.288 -1.629 1.00 33.13 H new ATOM 0 HG21 ILE A 29 6.784 -4.100 -2.438 1.00 31.31 H new ATOM 0 HG22 ILE A 29 5.358 -3.458 -1.589 1.00 31.31 H new ATOM 0 HG23 ILE A 29 6.182 -2.469 -2.817 1.00 31.31 H new ATOM 0 HD11 ILE A 29 9.621 -1.360 -3.111 1.00 4.23 H new ATOM 0 HD12 ILE A 29 8.055 -2.102 -3.520 1.00 4.23 H new ATOM 0 HD13 ILE A 29 8.106 -0.587 -2.586 1.00 4.23 H new ATOM 525 N PRO A 30 4.369 -0.538 0.142 1.00 11.44 N ATOM 526 CA PRO A 30 3.022 -0.610 0.680 1.00 41.20 C ATOM 527 C PRO A 30 2.135 -1.512 -0.181 1.00 64.02 C ATOM 528 O PRO A 30 1.699 -1.112 -1.259 1.00 31.24 O ATOM 529 CB PRO A 30 2.538 0.830 0.725 1.00 23.13 C ATOM 530 CG PRO A 30 3.448 1.604 -0.216 1.00 14.13 C ATOM 531 CD PRO A 30 4.649 0.728 -0.531 1.00 23.23 C ATOM 0 HA PRO A 30 2.990 -1.058 1.673 1.00 41.20 H new ATOM 0 HB2 PRO A 30 1.497 0.902 0.410 1.00 23.13 H new ATOM 0 HB3 PRO A 30 2.593 1.229 1.738 1.00 23.13 H new ATOM 0 HG2 PRO A 30 2.917 1.866 -1.131 1.00 14.13 H new ATOM 0 HG3 PRO A 30 3.768 2.538 0.245 1.00 14.13 H new ATOM 0 HD2 PRO A 30 4.767 0.588 -1.606 1.00 23.23 H new ATOM 0 HD3 PRO A 30 5.573 1.176 -0.165 1.00 23.23 H new ATOM 539 N VAL A 31 1.897 -2.712 0.328 1.00 35.55 N ATOM 540 CA VAL A 31 1.070 -3.674 -0.383 1.00 53.01 C ATOM 541 C VAL A 31 -0.144 -4.030 0.478 1.00 30.13 C ATOM 542 O VAL A 31 -0.168 -3.741 1.674 1.00 73.51 O ATOM 543 CB VAL A 31 1.905 -4.895 -0.773 1.00 32.41 C ATOM 544 CG1 VAL A 31 2.721 -5.404 0.417 1.00 75.34 C ATOM 545 CG2 VAL A 31 1.020 -6.004 -1.346 1.00 45.11 C ATOM 0 H VAL A 31 2.261 -3.040 1.222 1.00 35.55 H new ATOM 0 HA VAL A 31 0.696 -3.243 -1.312 1.00 53.01 H new ATOM 0 HB VAL A 31 2.604 -4.588 -1.551 1.00 32.41 H new ATOM 0 HG11 VAL A 31 3.305 -6.272 0.113 1.00 75.34 H new ATOM 0 HG12 VAL A 31 3.392 -4.617 0.761 1.00 75.34 H new ATOM 0 HG13 VAL A 31 2.047 -5.686 1.226 1.00 75.34 H new ATOM 0 HG21 VAL A 31 1.638 -6.860 -1.615 1.00 45.11 H new ATOM 0 HG22 VAL A 31 0.286 -6.307 -0.599 1.00 45.11 H new ATOM 0 HG23 VAL A 31 0.504 -5.636 -2.233 1.00 45.11 H new ATOM 555 N ILE A 32 -1.122 -4.652 -0.162 1.00 65.24 N ATOM 556 CA ILE A 32 -2.336 -5.051 0.528 1.00 51.12 C ATOM 557 C ILE A 32 -2.601 -6.535 0.272 1.00 43.11 C ATOM 558 O ILE A 32 -3.012 -6.916 -0.823 1.00 14.33 O ATOM 559 CB ILE A 32 -3.501 -4.140 0.135 1.00 11.34 C ATOM 560 CG1 ILE A 32 -3.097 -2.667 0.212 1.00 25.11 C ATOM 561 CG2 ILE A 32 -4.741 -4.439 0.981 1.00 63.41 C ATOM 562 CD1 ILE A 32 -3.110 -2.170 1.659 1.00 50.14 C ATOM 0 H ILE A 32 -1.098 -4.890 -1.154 1.00 65.24 H new ATOM 0 HA ILE A 32 -2.218 -4.931 1.605 1.00 51.12 H new ATOM 0 HB ILE A 32 -3.761 -4.348 -0.903 1.00 11.34 H new ATOM 0 HG12 ILE A 32 -2.101 -2.537 -0.212 1.00 25.11 H new ATOM 0 HG13 ILE A 32 -3.780 -2.067 -0.389 1.00 25.11 H new ATOM 0 HG21 ILE A 32 -5.554 -3.778 0.681 1.00 63.41 H new ATOM 0 HG22 ILE A 32 -5.042 -5.476 0.831 1.00 63.41 H new ATOM 0 HG23 ILE A 32 -4.511 -4.277 2.034 1.00 63.41 H new ATOM 0 HD11 ILE A 32 -2.819 -1.120 1.686 1.00 50.14 H new ATOM 0 HD12 ILE A 32 -4.113 -2.279 2.072 1.00 50.14 H new ATOM 0 HD13 ILE A 32 -2.408 -2.756 2.251 1.00 50.14 H new ATOM 574 N CYS A 33 -2.355 -7.334 1.300 1.00 2.21 N ATOM 575 CA CYS A 33 -2.561 -8.769 1.198 1.00 35.42 C ATOM 576 C CYS A 33 -4.049 -9.056 1.412 1.00 3.32 C ATOM 577 O CYS A 33 -4.621 -8.661 2.427 1.00 43.20 O ATOM 578 CB CYS A 33 -1.684 -9.538 2.188 1.00 33.30 C ATOM 579 SG CYS A 33 -1.215 -11.159 1.479 1.00 13.01 S ATOM 0 H CYS A 33 -2.015 -7.015 2.207 1.00 2.21 H new ATOM 0 HA CYS A 33 -2.264 -9.113 0.207 1.00 35.42 H new ATOM 0 HB2 CYS A 33 -0.789 -8.960 2.419 1.00 33.30 H new ATOM 0 HB3 CYS A 33 -2.221 -9.683 3.126 1.00 33.30 H new ATOM 0 HG CYS A 33 -2.137 -12.034 1.750 1.00 13.01 H new ATOM 585 N GLU A 34 -4.631 -9.743 0.440 1.00 15.11 N ATOM 586 CA GLU A 34 -6.042 -10.087 0.510 1.00 60.01 C ATOM 587 C GLU A 34 -6.222 -11.604 0.423 1.00 42.00 C ATOM 588 O GLU A 34 -5.327 -12.314 -0.035 1.00 21.50 O ATOM 589 CB GLU A 34 -6.834 -9.377 -0.590 1.00 74.13 C ATOM 590 CG GLU A 34 -8.339 -9.563 -0.387 1.00 21.12 C ATOM 591 CD GLU A 34 -9.134 -8.791 -1.443 1.00 33.02 C ATOM 592 OE1 GLU A 34 -10.315 -9.091 -1.672 1.00 61.31 O ATOM 593 OE2 GLU A 34 -8.483 -7.848 -2.035 1.00 64.42 O ATOM 0 H GLU A 34 -4.153 -10.070 -0.399 1.00 15.11 H new ATOM 0 HA GLU A 34 -6.432 -9.748 1.470 1.00 60.01 H new ATOM 0 HB2 GLU A 34 -6.592 -8.314 -0.590 1.00 74.13 H new ATOM 0 HB3 GLU A 34 -6.543 -9.770 -1.564 1.00 74.13 H new ATOM 0 HG2 GLU A 34 -8.589 -10.623 -0.441 1.00 21.12 H new ATOM 0 HG3 GLU A 34 -8.621 -9.220 0.608 1.00 21.12 H new ATOM 601 N LYS A 35 -7.384 -12.057 0.868 1.00 12.15 N ATOM 602 CA LYS A 35 -7.693 -13.476 0.847 1.00 74.11 C ATOM 603 C LYS A 35 -8.756 -13.747 -0.219 1.00 65.13 C ATOM 604 O LYS A 35 -9.858 -13.204 -0.154 1.00 52.34 O ATOM 605 CB LYS A 35 -8.088 -13.960 2.245 1.00 54.43 C ATOM 606 CG LYS A 35 -7.685 -15.423 2.453 1.00 11.23 C ATOM 607 CD LYS A 35 -8.614 -16.361 1.682 1.00 11.40 C ATOM 608 CE LYS A 35 -9.932 -16.567 2.433 1.00 71.14 C ATOM 609 NZ LYS A 35 -10.972 -17.094 1.521 1.00 23.43 N ATOM 0 H LYS A 35 -8.124 -11.465 1.246 1.00 12.15 H new ATOM 0 HA LYS A 35 -6.810 -14.053 0.572 1.00 74.11 H new ATOM 0 HB2 LYS A 35 -7.608 -13.336 2.999 1.00 54.43 H new ATOM 0 HB3 LYS A 35 -9.164 -13.853 2.380 1.00 54.43 H new ATOM 0 HG2 LYS A 35 -6.657 -15.571 2.123 1.00 11.23 H new ATOM 0 HG3 LYS A 35 -7.717 -15.665 3.515 1.00 11.23 H new ATOM 0 HD2 LYS A 35 -8.815 -15.948 0.694 1.00 11.40 H new ATOM 0 HD3 LYS A 35 -8.123 -17.322 1.532 1.00 11.40 H new ATOM 0 HE2 LYS A 35 -9.781 -17.260 3.261 1.00 71.14 H new ATOM 0 HE3 LYS A 35 -10.263 -15.622 2.864 1.00 71.14 H new ATOM 0 HZ1 LYS A 35 -11.902 -16.727 1.806 1.00 23.43 H new ATOM 0 HZ2 LYS A 35 -10.765 -16.793 0.547 1.00 23.43 H new ATOM 0 HZ3 LYS A 35 -10.980 -18.133 1.568 1.00 23.43 H new ATOM 623 N ALA A 36 -8.387 -14.584 -1.177 1.00 44.15 N ATOM 624 CA ALA A 36 -9.296 -14.933 -2.257 1.00 42.21 C ATOM 625 C ALA A 36 -10.644 -15.351 -1.667 1.00 35.03 C ATOM 626 O ALA A 36 -10.764 -15.546 -0.459 1.00 61.54 O ATOM 627 CB ALA A 36 -8.669 -16.033 -3.115 1.00 55.13 C ATOM 0 H ALA A 36 -7.472 -15.031 -1.229 1.00 44.15 H new ATOM 0 HA ALA A 36 -9.472 -14.074 -2.905 1.00 42.21 H new ATOM 0 HB1 ALA A 36 -9.350 -16.295 -3.925 1.00 55.13 H new ATOM 0 HB2 ALA A 36 -7.728 -15.676 -3.533 1.00 55.13 H new ATOM 0 HB3 ALA A 36 -8.482 -16.913 -2.499 1.00 55.13 H new ATOM 633 N GLU A 37 -11.627 -15.475 -2.549 1.00 33.15 N ATOM 634 CA GLU A 37 -12.962 -15.866 -2.130 1.00 72.10 C ATOM 635 C GLU A 37 -13.140 -17.380 -2.273 1.00 21.01 C ATOM 636 O GLU A 37 -13.587 -18.045 -1.339 1.00 64.00 O ATOM 637 CB GLU A 37 -14.029 -15.111 -2.927 1.00 2.12 C ATOM 638 CG GLU A 37 -14.027 -15.546 -4.395 1.00 54.13 C ATOM 639 CD GLU A 37 -14.888 -14.610 -5.244 1.00 3.31 C ATOM 640 OE1 GLU A 37 -15.830 -13.994 -4.726 1.00 60.30 O ATOM 641 OE2 GLU A 37 -14.548 -14.534 -6.487 1.00 23.54 O ATOM 0 H GLU A 37 -11.525 -15.312 -3.551 1.00 33.15 H new ATOM 0 HA GLU A 37 -13.085 -15.602 -1.080 1.00 72.10 H new ATOM 0 HB2 GLU A 37 -15.011 -15.294 -2.491 1.00 2.12 H new ATOM 0 HB3 GLU A 37 -13.846 -14.038 -2.861 1.00 2.12 H new ATOM 0 HG2 GLU A 37 -13.005 -15.551 -4.775 1.00 54.13 H new ATOM 0 HG3 GLU A 37 -14.403 -16.566 -4.477 1.00 54.13 H new ATOM 649 N LYS A 38 -12.783 -17.879 -3.446 1.00 32.50 N ATOM 650 CA LYS A 38 -12.898 -19.301 -3.721 1.00 70.13 C ATOM 651 C LYS A 38 -12.070 -20.082 -2.699 1.00 34.33 C ATOM 652 O LYS A 38 -12.318 -21.264 -2.466 1.00 61.34 O ATOM 653 CB LYS A 38 -12.524 -19.597 -5.175 1.00 31.21 C ATOM 654 CG LYS A 38 -13.435 -18.840 -6.142 1.00 30.31 C ATOM 655 CD LYS A 38 -13.030 -19.100 -7.594 1.00 62.11 C ATOM 656 CE LYS A 38 -13.550 -17.996 -8.515 1.00 24.23 C ATOM 657 NZ LYS A 38 -15.007 -17.806 -8.324 1.00 2.33 N ATOM 0 H LYS A 38 -12.414 -17.324 -4.218 1.00 32.50 H new ATOM 0 HA LYS A 38 -13.931 -19.629 -3.610 1.00 70.13 H new ATOM 0 HB2 LYS A 38 -11.486 -19.315 -5.352 1.00 31.21 H new ATOM 0 HB3 LYS A 38 -12.599 -20.668 -5.362 1.00 31.21 H new ATOM 0 HG2 LYS A 38 -14.469 -19.147 -5.989 1.00 30.31 H new ATOM 0 HG3 LYS A 38 -13.386 -17.771 -5.933 1.00 30.31 H new ATOM 0 HD2 LYS A 38 -11.944 -19.158 -7.667 1.00 62.11 H new ATOM 0 HD3 LYS A 38 -13.423 -20.064 -7.918 1.00 62.11 H new ATOM 0 HE2 LYS A 38 -13.025 -17.064 -8.307 1.00 24.23 H new ATOM 0 HE3 LYS A 38 -13.344 -18.253 -9.554 1.00 24.23 H new ATOM 0 HZ1 LYS A 38 -15.391 -17.249 -9.114 1.00 2.33 H new ATOM 0 HZ2 LYS A 38 -15.477 -18.733 -8.293 1.00 2.33 H new ATOM 0 HZ3 LYS A 38 -15.177 -17.302 -7.430 1.00 2.33 H new ATOM 671 N SER A 39 -11.100 -19.391 -2.119 1.00 31.52 N ATOM 672 CA SER A 39 -10.233 -20.005 -1.128 1.00 23.13 C ATOM 673 C SER A 39 -11.069 -20.562 0.026 1.00 61.22 C ATOM 674 O SER A 39 -12.232 -20.194 0.189 1.00 52.33 O ATOM 675 CB SER A 39 -9.203 -19.005 -0.602 1.00 23.31 C ATOM 676 OG SER A 39 -7.975 -19.637 -0.252 1.00 4.43 O ATOM 0 H SER A 39 -10.895 -18.411 -2.316 1.00 31.52 H new ATOM 0 HA SER A 39 -9.694 -20.823 -1.606 1.00 23.13 H new ATOM 0 HB2 SER A 39 -9.016 -18.245 -1.360 1.00 23.31 H new ATOM 0 HB3 SER A 39 -9.608 -18.492 0.270 1.00 23.31 H new ATOM 0 HG SER A 39 -7.420 -19.739 -1.053 1.00 4.43 H new ATOM 682 N ASP A 40 -10.445 -21.442 0.796 1.00 65.12 N ATOM 683 CA ASP A 40 -11.119 -22.052 1.930 1.00 2.54 C ATOM 684 C ASP A 40 -10.308 -21.787 3.200 1.00 55.42 C ATOM 685 O ASP A 40 -10.683 -22.232 4.285 1.00 54.00 O ATOM 686 CB ASP A 40 -11.233 -23.567 1.751 1.00 11.34 C ATOM 687 CG ASP A 40 -12.079 -24.014 0.557 1.00 55.40 C ATOM 688 OD1 ASP A 40 -13.317 -23.989 0.606 1.00 20.22 O ATOM 689 OD2 ASP A 40 -11.406 -24.406 -0.472 1.00 14.32 O ATOM 0 H ASP A 40 -9.482 -21.747 0.657 1.00 65.12 H new ATOM 0 HA ASP A 40 -12.117 -21.620 2.003 1.00 2.54 H new ATOM 0 HB2 ASP A 40 -10.231 -23.982 1.643 1.00 11.34 H new ATOM 0 HB3 ASP A 40 -11.658 -23.994 2.659 1.00 11.34 H new ATOM 695 N ILE A 41 -9.212 -21.065 3.026 1.00 65.22 N ATOM 696 CA ILE A 41 -8.345 -20.735 4.144 1.00 75.43 C ATOM 697 C ILE A 41 -9.007 -19.647 4.993 1.00 34.44 C ATOM 698 O ILE A 41 -9.973 -19.019 4.560 1.00 24.44 O ATOM 699 CB ILE A 41 -6.947 -20.362 3.649 1.00 1.44 C ATOM 700 CG1 ILE A 41 -6.806 -18.847 3.491 1.00 4.10 C ATOM 701 CG2 ILE A 41 -6.607 -21.107 2.356 1.00 21.52 C ATOM 702 CD1 ILE A 41 -5.700 -18.500 2.493 1.00 2.30 C ATOM 0 H ILE A 41 -8.904 -20.698 2.126 1.00 65.22 H new ATOM 0 HA ILE A 41 -8.207 -21.604 4.787 1.00 75.43 H new ATOM 0 HB ILE A 41 -6.224 -20.675 4.402 1.00 1.44 H new ATOM 0 HG12 ILE A 41 -7.752 -18.424 3.153 1.00 4.10 H new ATOM 0 HG13 ILE A 41 -6.583 -18.396 4.458 1.00 4.10 H new ATOM 0 HG21 ILE A 41 -5.608 -20.824 2.025 1.00 21.52 H new ATOM 0 HG22 ILE A 41 -6.639 -22.182 2.536 1.00 21.52 H new ATOM 0 HG23 ILE A 41 -7.332 -20.847 1.585 1.00 21.52 H new ATOM 0 HD11 ILE A 41 -5.621 -17.417 2.400 1.00 2.30 H new ATOM 0 HD12 ILE A 41 -4.751 -18.904 2.846 1.00 2.30 H new ATOM 0 HD13 ILE A 41 -5.939 -18.932 1.521 1.00 2.30 H new ATOM 714 N PRO A 42 -8.446 -19.451 6.218 1.00 50.44 N ATOM 715 CA PRO A 42 -8.972 -18.450 7.129 1.00 24.42 C ATOM 716 C PRO A 42 -8.575 -17.041 6.684 1.00 24.50 C ATOM 717 O PRO A 42 -7.390 -16.744 6.534 1.00 43.12 O ATOM 718 CB PRO A 42 -8.408 -18.823 8.491 1.00 64.40 C ATOM 719 CG PRO A 42 -7.225 -19.736 8.215 1.00 30.21 C ATOM 720 CD PRO A 42 -7.303 -20.176 6.762 1.00 32.44 C ATOM 0 HA PRO A 42 -10.062 -18.435 7.154 1.00 24.42 H new ATOM 0 HB2 PRO A 42 -8.096 -17.935 9.041 1.00 64.40 H new ATOM 0 HB3 PRO A 42 -9.158 -19.328 9.099 1.00 64.40 H new ATOM 0 HG2 PRO A 42 -6.287 -19.214 8.406 1.00 30.21 H new ATOM 0 HG3 PRO A 42 -7.248 -20.601 8.877 1.00 30.21 H new ATOM 0 HD2 PRO A 42 -6.387 -19.932 6.224 1.00 32.44 H new ATOM 0 HD3 PRO A 42 -7.443 -21.254 6.681 1.00 32.44 H new ATOM 728 N GLU A 43 -9.588 -16.209 6.486 1.00 42.44 N ATOM 729 CA GLU A 43 -9.359 -14.839 6.062 1.00 50.22 C ATOM 730 C GLU A 43 -8.437 -14.124 7.051 1.00 11.31 C ATOM 731 O GLU A 43 -8.268 -14.573 8.184 1.00 21.42 O ATOM 732 CB GLU A 43 -10.681 -14.087 5.904 1.00 1.13 C ATOM 733 CG GLU A 43 -10.481 -12.782 5.129 1.00 32.10 C ATOM 734 CD GLU A 43 -11.788 -12.324 4.479 1.00 74.43 C ATOM 735 OE1 GLU A 43 -11.940 -12.427 3.252 1.00 70.25 O ATOM 736 OE2 GLU A 43 -12.667 -11.850 5.295 1.00 12.44 O ATOM 0 H GLU A 43 -10.569 -16.458 6.612 1.00 42.44 H new ATOM 0 HA GLU A 43 -8.870 -14.858 5.088 1.00 50.22 H new ATOM 0 HB2 GLU A 43 -11.402 -14.717 5.383 1.00 1.13 H new ATOM 0 HB3 GLU A 43 -11.100 -13.870 6.887 1.00 1.13 H new ATOM 0 HG2 GLU A 43 -10.115 -12.007 5.803 1.00 32.10 H new ATOM 0 HG3 GLU A 43 -9.719 -12.923 4.362 1.00 32.10 H new ATOM 744 N ILE A 44 -7.864 -13.022 6.587 1.00 60.22 N ATOM 745 CA ILE A 44 -6.962 -12.241 7.418 1.00 23.32 C ATOM 746 C ILE A 44 -7.771 -11.215 8.215 1.00 4.52 C ATOM 747 O ILE A 44 -8.957 -11.017 7.955 1.00 3.42 O ATOM 748 CB ILE A 44 -5.853 -11.621 6.567 1.00 42.45 C ATOM 749 CG1 ILE A 44 -4.818 -10.916 7.445 1.00 43.41 C ATOM 750 CG2 ILE A 44 -6.434 -10.687 5.504 1.00 73.53 C ATOM 751 CD1 ILE A 44 -3.496 -10.733 6.695 1.00 33.21 C ATOM 0 H ILE A 44 -8.007 -12.652 5.647 1.00 60.22 H new ATOM 0 HA ILE A 44 -6.458 -12.882 8.141 1.00 23.32 H new ATOM 0 HB ILE A 44 -5.336 -12.424 6.042 1.00 42.45 H new ATOM 0 HG12 ILE A 44 -5.201 -9.944 7.756 1.00 43.41 H new ATOM 0 HG13 ILE A 44 -4.649 -11.497 8.352 1.00 43.41 H new ATOM 0 HG21 ILE A 44 -5.624 -10.260 4.913 1.00 73.53 H new ATOM 0 HG22 ILE A 44 -7.102 -11.249 4.851 1.00 73.53 H new ATOM 0 HG23 ILE A 44 -6.991 -9.885 5.989 1.00 73.53 H new ATOM 0 HD11 ILE A 44 -2.778 -10.229 7.342 1.00 33.21 H new ATOM 0 HD12 ILE A 44 -3.103 -11.708 6.407 1.00 33.21 H new ATOM 0 HD13 ILE A 44 -3.665 -10.131 5.802 1.00 33.21 H new ATOM 763 N ASP A 45 -7.098 -10.592 9.170 1.00 33.03 N ATOM 764 CA ASP A 45 -7.739 -9.591 10.007 1.00 71.14 C ATOM 765 C ASP A 45 -7.997 -8.329 9.181 1.00 0.43 C ATOM 766 O ASP A 45 -9.101 -7.789 9.193 1.00 74.13 O ATOM 767 CB ASP A 45 -6.846 -9.209 11.189 1.00 41.02 C ATOM 768 CG ASP A 45 -6.866 -10.193 12.360 1.00 61.43 C ATOM 769 OD1 ASP A 45 -5.817 -10.689 12.795 1.00 63.25 O ATOM 770 OD2 ASP A 45 -8.038 -10.449 12.836 1.00 2.34 O ATOM 0 H ASP A 45 -6.115 -10.760 9.384 1.00 33.03 H new ATOM 0 HA ASP A 45 -8.672 -10.012 10.381 1.00 71.14 H new ATOM 0 HB2 ASP A 45 -5.820 -9.112 10.833 1.00 41.02 H new ATOM 0 HB3 ASP A 45 -7.151 -8.228 11.553 1.00 41.02 H new ATOM 776 N LYS A 46 -6.958 -7.897 8.481 1.00 54.04 N ATOM 777 CA LYS A 46 -7.056 -6.709 7.651 1.00 51.14 C ATOM 778 C LYS A 46 -6.086 -6.833 6.475 1.00 4.32 C ATOM 779 O LYS A 46 -5.225 -7.709 6.465 1.00 25.51 O ATOM 780 CB LYS A 46 -6.846 -5.447 8.491 1.00 35.22 C ATOM 781 CG LYS A 46 -5.927 -5.729 9.682 1.00 72.31 C ATOM 782 CD LYS A 46 -4.530 -6.138 9.211 1.00 10.44 C ATOM 783 CE LYS A 46 -3.976 -5.133 8.199 1.00 5.34 C ATOM 784 NZ LYS A 46 -2.500 -5.066 8.291 1.00 3.44 N ATOM 0 H LYS A 46 -6.044 -8.349 8.472 1.00 54.04 H new ATOM 0 HA LYS A 46 -8.058 -6.620 7.231 1.00 51.14 H new ATOM 0 HB2 LYS A 46 -6.414 -4.661 7.872 1.00 35.22 H new ATOM 0 HB3 LYS A 46 -7.808 -5.079 8.848 1.00 35.22 H new ATOM 0 HG2 LYS A 46 -5.857 -4.841 10.311 1.00 72.31 H new ATOM 0 HG3 LYS A 46 -6.354 -6.522 10.296 1.00 72.31 H new ATOM 0 HD2 LYS A 46 -3.859 -6.205 10.067 1.00 10.44 H new ATOM 0 HD3 LYS A 46 -4.570 -7.129 8.760 1.00 10.44 H new ATOM 0 HE2 LYS A 46 -4.271 -5.423 7.191 1.00 5.34 H new ATOM 0 HE3 LYS A 46 -4.403 -4.148 8.385 1.00 5.34 H new ATOM 0 HZ1 LYS A 46 -2.219 -4.157 8.712 1.00 3.44 H new ATOM 0 HZ2 LYS A 46 -2.154 -5.845 8.887 1.00 3.44 H new ATOM 0 HZ3 LYS A 46 -2.089 -5.149 7.339 1.00 3.44 H new ATOM 798 N ARG A 47 -6.258 -5.939 5.511 1.00 22.33 N ATOM 799 CA ARG A 47 -5.408 -5.936 4.332 1.00 73.31 C ATOM 800 C ARG A 47 -4.459 -4.737 4.365 1.00 10.15 C ATOM 801 O ARG A 47 -4.821 -3.642 3.938 1.00 4.24 O ATOM 802 CB ARG A 47 -6.243 -5.882 3.051 1.00 1.04 C ATOM 803 CG ARG A 47 -7.608 -6.540 3.258 1.00 52.44 C ATOM 804 CD ARG A 47 -8.296 -6.811 1.919 1.00 32.42 C ATOM 805 NE ARG A 47 -8.459 -5.547 1.169 1.00 24.35 N ATOM 806 CZ ARG A 47 -9.299 -5.390 0.123 1.00 51.53 C ATOM 807 NH1 ARG A 47 -10.059 -6.420 -0.306 1.00 63.21 N ATOM 808 NH2 ARG A 47 -9.365 -4.214 -0.474 1.00 1.01 N ATOM 0 H ARG A 47 -6.973 -5.212 5.523 1.00 22.33 H new ATOM 0 HA ARG A 47 -4.831 -6.861 4.337 1.00 73.31 H new ATOM 0 HB2 ARG A 47 -6.378 -4.845 2.744 1.00 1.04 H new ATOM 0 HB3 ARG A 47 -5.711 -6.386 2.244 1.00 1.04 H new ATOM 0 HG2 ARG A 47 -7.485 -7.476 3.804 1.00 52.44 H new ATOM 0 HG3 ARG A 47 -8.238 -5.894 3.870 1.00 52.44 H new ATOM 0 HD2 ARG A 47 -7.706 -7.517 1.334 1.00 32.42 H new ATOM 0 HD3 ARG A 47 -9.269 -7.272 2.088 1.00 32.42 H new ATOM 0 HE ARG A 47 -7.902 -4.743 1.460 1.00 24.35 H new ATOM 0 HH11 ARG A 47 -10.001 -7.325 0.161 1.00 63.21 H new ATOM 0 HH12 ARG A 47 -10.691 -6.293 -1.097 1.00 63.21 H new ATOM 0 HH21 ARG A 47 -8.787 -3.441 -0.144 1.00 1.01 H new ATOM 0 HH22 ARG A 47 -9.994 -4.078 -1.265 1.00 1.01 H new ATOM 822 N LYS A 48 -3.262 -4.985 4.876 1.00 32.22 N ATOM 823 CA LYS A 48 -2.257 -3.938 4.970 1.00 13.13 C ATOM 824 C LYS A 48 -0.899 -4.568 5.283 1.00 65.41 C ATOM 825 O LYS A 48 -0.658 -5.008 6.406 1.00 32.21 O ATOM 826 CB LYS A 48 -2.687 -2.872 5.979 1.00 2.52 C ATOM 827 CG LYS A 48 -1.478 -2.100 6.509 1.00 31.03 C ATOM 828 CD LYS A 48 -0.713 -1.427 5.369 1.00 5.15 C ATOM 829 CE LYS A 48 0.288 -0.402 5.908 1.00 62.34 C ATOM 830 NZ LYS A 48 0.862 0.394 4.801 1.00 61.43 N ATOM 0 H LYS A 48 -2.965 -5.895 5.229 1.00 32.22 H new ATOM 0 HA LYS A 48 -2.157 -3.419 4.017 1.00 13.13 H new ATOM 0 HB2 LYS A 48 -3.386 -2.181 5.508 1.00 2.52 H new ATOM 0 HB3 LYS A 48 -3.214 -3.343 6.809 1.00 2.52 H new ATOM 0 HG2 LYS A 48 -1.808 -1.347 7.224 1.00 31.03 H new ATOM 0 HG3 LYS A 48 -0.815 -2.779 7.045 1.00 31.03 H new ATOM 0 HD2 LYS A 48 -0.187 -2.182 4.785 1.00 5.15 H new ATOM 0 HD3 LYS A 48 -1.415 -0.935 4.696 1.00 5.15 H new ATOM 0 HE2 LYS A 48 -0.207 0.258 6.620 1.00 62.34 H new ATOM 0 HE3 LYS A 48 1.085 -0.913 6.448 1.00 62.34 H new ATOM 0 HZ1 LYS A 48 1.801 0.746 5.077 1.00 61.43 H new ATOM 0 HZ2 LYS A 48 0.951 -0.203 3.954 1.00 61.43 H new ATOM 0 HZ3 LYS A 48 0.238 1.199 4.593 1.00 61.43 H new ATOM 844 N TYR A 49 -0.046 -4.593 4.270 1.00 55.14 N ATOM 845 CA TYR A 49 1.282 -5.163 4.422 1.00 61.12 C ATOM 846 C TYR A 49 2.354 -4.202 3.900 1.00 45.23 C ATOM 847 O TYR A 49 2.543 -4.075 2.692 1.00 72.34 O ATOM 848 CB TYR A 49 1.296 -6.434 3.571 1.00 0.44 C ATOM 849 CG TYR A 49 0.683 -7.653 4.263 1.00 32.21 C ATOM 850 CD1 TYR A 49 -0.681 -7.724 4.453 1.00 4.35 C ATOM 851 CD2 TYR A 49 1.495 -8.681 4.697 1.00 44.50 C ATOM 852 CE1 TYR A 49 -1.259 -8.870 5.105 1.00 40.03 C ATOM 853 CE2 TYR A 49 0.917 -9.828 5.349 1.00 10.22 C ATOM 854 CZ TYR A 49 -0.431 -9.867 5.521 1.00 11.31 C ATOM 855 OH TYR A 49 -0.977 -10.949 6.136 1.00 30.03 O ATOM 0 H TYR A 49 -0.249 -4.227 3.340 1.00 55.14 H new ATOM 0 HA TYR A 49 1.497 -5.361 5.472 1.00 61.12 H new ATOM 0 HB2 TYR A 49 0.754 -6.244 2.644 1.00 0.44 H new ATOM 0 HB3 TYR A 49 2.326 -6.664 3.297 1.00 0.44 H new ATOM 0 HD1 TYR A 49 -1.316 -6.919 4.112 1.00 4.35 H new ATOM 0 HD2 TYR A 49 2.563 -8.626 4.548 1.00 44.50 H new ATOM 0 HE1 TYR A 49 -2.326 -8.937 5.261 1.00 40.03 H new ATOM 0 HE2 TYR A 49 1.541 -10.639 5.694 1.00 10.22 H new ATOM 0 HH TYR A 49 -1.187 -11.634 5.467 1.00 30.03 H new ATOM 865 N LEU A 50 3.026 -3.552 4.838 1.00 74.33 N ATOM 866 CA LEU A 50 4.074 -2.606 4.490 1.00 43.30 C ATOM 867 C LEU A 50 5.421 -3.331 4.465 1.00 30.44 C ATOM 868 O LEU A 50 6.212 -3.208 5.399 1.00 14.21 O ATOM 869 CB LEU A 50 4.041 -1.399 5.429 1.00 73.54 C ATOM 870 CG LEU A 50 4.551 -0.081 4.844 1.00 22.24 C ATOM 871 CD1 LEU A 50 6.070 -0.110 4.667 1.00 24.21 C ATOM 872 CD2 LEU A 50 3.829 0.256 3.538 1.00 4.24 C ATOM 0 H LEU A 50 2.866 -3.661 5.839 1.00 74.33 H new ATOM 0 HA LEU A 50 3.909 -2.205 3.490 1.00 43.30 H new ATOM 0 HB2 LEU A 50 3.014 -1.252 5.764 1.00 73.54 H new ATOM 0 HB3 LEU A 50 4.634 -1.635 6.313 1.00 73.54 H new ATOM 0 HG LEU A 50 4.324 0.716 5.552 1.00 22.24 H new ATOM 0 HD11 LEU A 50 6.406 0.839 4.250 1.00 24.21 H new ATOM 0 HD12 LEU A 50 6.546 -0.270 5.634 1.00 24.21 H new ATOM 0 HD13 LEU A 50 6.342 -0.920 3.991 1.00 24.21 H new ATOM 0 HD21 LEU A 50 4.211 1.198 3.144 1.00 4.24 H new ATOM 0 HD22 LEU A 50 4.001 -0.538 2.812 1.00 4.24 H new ATOM 0 HD23 LEU A 50 2.760 0.349 3.727 1.00 4.24 H new ATOM 884 N VAL A 51 5.639 -4.072 3.388 1.00 34.04 N ATOM 885 CA VAL A 51 6.877 -4.816 3.229 1.00 63.40 C ATOM 886 C VAL A 51 7.954 -3.891 2.659 1.00 40.31 C ATOM 887 O VAL A 51 7.643 -2.932 1.953 1.00 53.13 O ATOM 888 CB VAL A 51 6.635 -6.056 2.367 1.00 5.34 C ATOM 889 CG1 VAL A 51 5.657 -7.016 3.049 1.00 22.24 C ATOM 890 CG2 VAL A 51 6.138 -5.666 0.974 1.00 42.33 C ATOM 0 H VAL A 51 4.979 -4.173 2.617 1.00 34.04 H new ATOM 0 HA VAL A 51 7.235 -5.173 4.195 1.00 63.40 H new ATOM 0 HB VAL A 51 7.587 -6.574 2.251 1.00 5.34 H new ATOM 0 HG11 VAL A 51 5.502 -7.889 2.415 1.00 22.24 H new ATOM 0 HG12 VAL A 51 6.067 -7.332 4.008 1.00 22.24 H new ATOM 0 HG13 VAL A 51 4.704 -6.511 3.210 1.00 22.24 H new ATOM 0 HG21 VAL A 51 5.974 -6.566 0.381 1.00 42.33 H new ATOM 0 HG22 VAL A 51 5.202 -5.114 1.063 1.00 42.33 H new ATOM 0 HG23 VAL A 51 6.883 -5.040 0.484 1.00 42.33 H new ATOM 900 N PRO A 52 9.230 -4.221 2.993 1.00 31.35 N ATOM 901 CA PRO A 52 10.356 -3.431 2.521 1.00 52.22 C ATOM 902 C PRO A 52 10.635 -3.704 1.042 1.00 45.42 C ATOM 903 O PRO A 52 9.937 -4.497 0.411 1.00 24.12 O ATOM 904 CB PRO A 52 11.514 -3.816 3.426 1.00 72.44 C ATOM 905 CG PRO A 52 11.121 -5.137 4.065 1.00 72.05 C ATOM 906 CD PRO A 52 9.635 -5.349 3.826 1.00 62.34 C ATOM 0 HA PRO A 52 10.169 -2.358 2.572 1.00 52.22 H new ATOM 0 HB2 PRO A 52 12.438 -3.917 2.857 1.00 72.44 H new ATOM 0 HB3 PRO A 52 11.688 -3.052 4.184 1.00 72.44 H new ATOM 0 HG2 PRO A 52 11.697 -5.956 3.634 1.00 72.05 H new ATOM 0 HG3 PRO A 52 11.337 -5.123 5.133 1.00 72.05 H new ATOM 0 HD2 PRO A 52 9.446 -6.299 3.326 1.00 62.34 H new ATOM 0 HD3 PRO A 52 9.081 -5.367 4.765 1.00 62.34 H new ATOM 914 N ALA A 53 11.658 -3.033 0.532 1.00 53.20 N ATOM 915 CA ALA A 53 12.038 -3.194 -0.861 1.00 13.10 C ATOM 916 C ALA A 53 13.087 -4.303 -0.973 1.00 64.41 C ATOM 917 O ALA A 53 13.806 -4.383 -1.969 1.00 65.24 O ATOM 918 CB ALA A 53 12.541 -1.858 -1.411 1.00 72.45 C ATOM 0 H ALA A 53 12.235 -2.377 1.059 1.00 53.20 H new ATOM 0 HA ALA A 53 11.178 -3.491 -1.462 1.00 13.10 H new ATOM 0 HB1 ALA A 53 12.826 -1.979 -2.456 1.00 72.45 H new ATOM 0 HB2 ALA A 53 11.750 -1.112 -1.335 1.00 72.45 H new ATOM 0 HB3 ALA A 53 13.406 -1.530 -0.835 1.00 72.45 H new ATOM 924 N ASP A 54 13.142 -5.128 0.062 1.00 11.31 N ATOM 925 CA ASP A 54 14.091 -6.228 0.092 1.00 24.43 C ATOM 926 C ASP A 54 13.328 -7.553 0.142 1.00 24.43 C ATOM 927 O ASP A 54 13.729 -8.530 -0.491 1.00 72.41 O ATOM 928 CB ASP A 54 14.986 -6.150 1.330 1.00 32.13 C ATOM 929 CG ASP A 54 15.828 -7.400 1.600 1.00 4.14 C ATOM 930 OD1 ASP A 54 15.304 -8.522 1.660 1.00 20.21 O ATOM 931 OD2 ASP A 54 17.090 -7.183 1.753 1.00 61.44 O ATOM 0 H ASP A 54 12.545 -5.057 0.886 1.00 11.31 H new ATOM 0 HA ASP A 54 14.709 -6.165 -0.804 1.00 24.43 H new ATOM 0 HB2 ASP A 54 15.655 -5.296 1.223 1.00 32.13 H new ATOM 0 HB3 ASP A 54 14.360 -5.957 2.201 1.00 32.13 H new ATOM 937 N LEU A 55 12.242 -7.546 0.900 1.00 53.33 N ATOM 938 CA LEU A 55 11.419 -8.735 1.041 1.00 33.10 C ATOM 939 C LEU A 55 10.972 -9.208 -0.343 1.00 55.22 C ATOM 940 O LEU A 55 10.498 -8.412 -1.152 1.00 73.35 O ATOM 941 CB LEU A 55 10.260 -8.474 2.006 1.00 22.25 C ATOM 942 CG LEU A 55 9.690 -9.702 2.717 1.00 42.04 C ATOM 943 CD1 LEU A 55 10.137 -10.992 2.027 1.00 33.21 C ATOM 944 CD2 LEU A 55 10.053 -9.692 4.203 1.00 41.11 C ATOM 0 H LEU A 55 11.912 -6.735 1.424 1.00 53.33 H new ATOM 0 HA LEU A 55 11.996 -9.547 1.485 1.00 33.10 H new ATOM 0 HB2 LEU A 55 10.596 -7.764 2.762 1.00 22.25 H new ATOM 0 HB3 LEU A 55 9.454 -7.993 1.452 1.00 22.25 H new ATOM 0 HG LEU A 55 8.603 -9.661 2.650 1.00 42.04 H new ATOM 0 HD11 LEU A 55 9.718 -11.850 2.553 1.00 33.21 H new ATOM 0 HD12 LEU A 55 9.787 -10.993 0.995 1.00 33.21 H new ATOM 0 HD13 LEU A 55 11.225 -11.054 2.041 1.00 33.21 H new ATOM 0 HD21 LEU A 55 9.636 -10.576 4.685 1.00 41.11 H new ATOM 0 HD22 LEU A 55 11.137 -9.697 4.313 1.00 41.11 H new ATOM 0 HD23 LEU A 55 9.645 -8.796 4.671 1.00 41.11 H new ATOM 956 N THR A 56 11.138 -10.502 -0.574 1.00 33.54 N ATOM 957 CA THR A 56 10.759 -11.090 -1.847 1.00 20.24 C ATOM 958 C THR A 56 9.340 -11.657 -1.770 1.00 22.22 C ATOM 959 O THR A 56 8.657 -11.494 -0.760 1.00 33.44 O ATOM 960 CB THR A 56 11.811 -12.138 -2.218 1.00 3.12 C ATOM 961 OG1 THR A 56 11.308 -13.348 -1.661 1.00 4.55 O ATOM 962 CG2 THR A 56 13.139 -11.916 -1.489 1.00 24.15 C ATOM 0 H THR A 56 11.530 -11.160 0.100 1.00 33.54 H new ATOM 0 HA THR A 56 10.735 -10.339 -2.637 1.00 20.24 H new ATOM 0 HB THR A 56 11.979 -12.118 -3.295 1.00 3.12 H new ATOM 0 HG1 THR A 56 11.136 -13.992 -2.379 1.00 4.55 H new ATOM 0 HG21 THR A 56 13.851 -12.686 -1.787 1.00 24.15 H new ATOM 0 HG22 THR A 56 13.536 -10.935 -1.748 1.00 24.15 H new ATOM 0 HG23 THR A 56 12.976 -11.969 -0.413 1.00 24.15 H new ATOM 970 N VAL A 57 8.938 -12.311 -2.850 1.00 60.44 N ATOM 971 CA VAL A 57 7.614 -12.903 -2.918 1.00 24.01 C ATOM 972 C VAL A 57 7.566 -14.142 -2.022 1.00 24.23 C ATOM 973 O VAL A 57 6.808 -14.185 -1.054 1.00 23.23 O ATOM 974 CB VAL A 57 7.247 -13.202 -4.373 1.00 35.30 C ATOM 975 CG1 VAL A 57 6.201 -14.316 -4.457 1.00 34.23 C ATOM 976 CG2 VAL A 57 6.761 -11.940 -5.086 1.00 3.30 C ATOM 0 H VAL A 57 9.507 -12.444 -3.686 1.00 60.44 H new ATOM 0 HA VAL A 57 6.865 -12.204 -2.546 1.00 24.01 H new ATOM 0 HB VAL A 57 8.147 -13.548 -4.881 1.00 35.30 H new ATOM 0 HG11 VAL A 57 5.958 -14.509 -5.502 1.00 34.23 H new ATOM 0 HG12 VAL A 57 6.599 -15.224 -4.004 1.00 34.23 H new ATOM 0 HG13 VAL A 57 5.300 -14.010 -3.925 1.00 34.23 H new ATOM 0 HG21 VAL A 57 6.507 -12.180 -6.118 1.00 3.30 H new ATOM 0 HG22 VAL A 57 5.880 -11.551 -4.576 1.00 3.30 H new ATOM 0 HG23 VAL A 57 7.550 -11.188 -5.072 1.00 3.30 H new ATOM 986 N GLY A 58 8.386 -15.121 -2.375 1.00 11.12 N ATOM 987 CA GLY A 58 8.448 -16.357 -1.616 1.00 42.23 C ATOM 988 C GLY A 58 8.738 -16.081 -0.140 1.00 73.23 C ATOM 989 O GLY A 58 8.418 -16.896 0.723 1.00 60.02 O ATOM 0 H GLY A 58 9.014 -15.082 -3.178 1.00 11.12 H new ATOM 0 HA2 GLY A 58 7.504 -16.893 -1.710 1.00 42.23 H new ATOM 0 HA3 GLY A 58 9.224 -17.002 -2.028 1.00 42.23 H new ATOM 993 N GLN A 59 9.344 -14.928 0.104 1.00 64.11 N ATOM 994 CA GLN A 59 9.682 -14.534 1.462 1.00 61.51 C ATOM 995 C GLN A 59 8.520 -13.766 2.096 1.00 64.21 C ATOM 996 O GLN A 59 8.374 -13.752 3.318 1.00 44.31 O ATOM 997 CB GLN A 59 10.967 -13.702 1.487 1.00 30.41 C ATOM 998 CG GLN A 59 12.181 -14.559 1.119 1.00 65.32 C ATOM 999 CD GLN A 59 13.453 -14.013 1.770 1.00 74.31 C ATOM 1000 OE1 GLN A 59 14.409 -13.641 1.110 1.00 74.53 O ATOM 1001 NE2 GLN A 59 13.412 -13.987 3.100 1.00 1.14 N ATOM 0 H GLN A 59 9.609 -14.255 -0.615 1.00 64.11 H new ATOM 0 HA GLN A 59 9.860 -15.436 2.048 1.00 61.51 H new ATOM 0 HB2 GLN A 59 10.879 -12.870 0.789 1.00 30.41 H new ATOM 0 HB3 GLN A 59 11.107 -13.272 2.479 1.00 30.41 H new ATOM 0 HG2 GLN A 59 12.016 -15.587 1.440 1.00 65.32 H new ATOM 0 HG3 GLN A 59 12.302 -14.579 0.036 1.00 65.32 H new ATOM 0 HE21 GLN A 59 12.580 -14.314 3.591 1.00 1.14 H new ATOM 0 HE22 GLN A 59 14.213 -13.641 3.628 1.00 1.14 H new ATOM 1010 N PHE A 60 7.723 -13.147 1.238 1.00 0.21 N ATOM 1011 CA PHE A 60 6.579 -12.378 1.700 1.00 52.15 C ATOM 1012 C PHE A 60 5.483 -13.299 2.240 1.00 43.15 C ATOM 1013 O PHE A 60 4.820 -12.971 3.223 1.00 50.40 O ATOM 1014 CB PHE A 60 6.037 -11.614 0.491 1.00 50.40 C ATOM 1015 CG PHE A 60 4.714 -10.893 0.754 1.00 73.03 C ATOM 1016 CD1 PHE A 60 4.644 -9.925 1.707 1.00 61.34 C ATOM 1017 CD2 PHE A 60 3.606 -11.218 0.034 1.00 51.21 C ATOM 1018 CE1 PHE A 60 3.417 -9.254 1.951 1.00 62.21 C ATOM 1019 CE2 PHE A 60 2.378 -10.548 0.279 1.00 1.22 C ATOM 1020 CZ PHE A 60 2.309 -9.581 1.231 1.00 23.01 C ATOM 0 H PHE A 60 7.846 -13.162 0.226 1.00 0.21 H new ATOM 0 HA PHE A 60 6.881 -11.706 2.504 1.00 52.15 H new ATOM 0 HB2 PHE A 60 6.780 -10.883 0.173 1.00 50.40 H new ATOM 0 HB3 PHE A 60 5.901 -12.311 -0.336 1.00 50.40 H new ATOM 0 HD1 PHE A 60 5.523 -9.667 2.279 1.00 61.34 H new ATOM 0 HD2 PHE A 60 3.660 -11.986 -0.724 1.00 51.21 H new ATOM 0 HE1 PHE A 60 3.363 -8.485 2.707 1.00 62.21 H new ATOM 0 HE2 PHE A 60 1.499 -10.807 -0.292 1.00 1.22 H new ATOM 0 HZ PHE A 60 1.375 -9.072 1.417 1.00 23.01 H new ATOM 1030 N VAL A 61 5.328 -14.435 1.575 1.00 32.35 N ATOM 1031 CA VAL A 61 4.324 -15.405 1.977 1.00 5.44 C ATOM 1032 C VAL A 61 4.478 -15.704 3.470 1.00 71.34 C ATOM 1033 O VAL A 61 3.494 -15.730 4.206 1.00 5.54 O ATOM 1034 CB VAL A 61 4.427 -16.657 1.103 1.00 43.14 C ATOM 1035 CG1 VAL A 61 3.524 -17.772 1.634 1.00 42.22 C ATOM 1036 CG2 VAL A 61 4.099 -16.335 -0.356 1.00 73.01 C ATOM 0 H VAL A 61 5.881 -14.705 0.761 1.00 32.35 H new ATOM 0 HA VAL A 61 3.322 -15.002 1.828 1.00 5.44 H new ATOM 0 HB VAL A 61 5.457 -17.011 1.145 1.00 43.14 H new ATOM 0 HG11 VAL A 61 3.616 -18.650 0.995 1.00 42.22 H new ATOM 0 HG12 VAL A 61 3.823 -18.030 2.650 1.00 42.22 H new ATOM 0 HG13 VAL A 61 2.488 -17.432 1.636 1.00 42.22 H new ATOM 0 HG21 VAL A 61 4.180 -17.242 -0.956 1.00 73.01 H new ATOM 0 HG22 VAL A 61 3.084 -15.945 -0.423 1.00 73.01 H new ATOM 0 HG23 VAL A 61 4.800 -15.589 -0.730 1.00 73.01 H new ATOM 1046 N TYR A 62 5.721 -15.923 3.871 1.00 14.20 N ATOM 1047 CA TYR A 62 6.017 -16.219 5.263 1.00 74.54 C ATOM 1048 C TYR A 62 5.294 -15.247 6.197 1.00 34.14 C ATOM 1049 O TYR A 62 4.996 -15.584 7.341 1.00 35.32 O ATOM 1050 CB TYR A 62 7.528 -16.031 5.422 1.00 44.14 C ATOM 1051 CG TYR A 62 7.940 -15.386 6.747 1.00 45.10 C ATOM 1052 CD1 TYR A 62 7.451 -15.885 7.939 1.00 22.21 C ATOM 1053 CD2 TYR A 62 8.797 -14.306 6.751 1.00 62.34 C ATOM 1054 CE1 TYR A 62 7.837 -15.277 9.185 1.00 24.10 C ATOM 1055 CE2 TYR A 62 9.185 -13.698 7.999 1.00 24.35 C ATOM 1056 CZ TYR A 62 8.685 -14.215 9.154 1.00 2.21 C ATOM 1057 OH TYR A 62 9.049 -13.642 10.332 1.00 63.13 O ATOM 0 H TYR A 62 6.535 -15.902 3.257 1.00 14.20 H new ATOM 0 HA TYR A 62 5.691 -17.227 5.518 1.00 74.54 H new ATOM 0 HB2 TYR A 62 8.015 -17.002 5.336 1.00 44.14 H new ATOM 0 HB3 TYR A 62 7.895 -15.416 4.601 1.00 44.14 H new ATOM 0 HD1 TYR A 62 6.779 -16.731 7.936 1.00 22.21 H new ATOM 0 HD2 TYR A 62 9.178 -13.915 5.819 1.00 62.34 H new ATOM 0 HE1 TYR A 62 7.461 -15.656 10.124 1.00 24.10 H new ATOM 0 HE2 TYR A 62 9.857 -12.852 8.017 1.00 24.35 H new ATOM 0 HH TYR A 62 9.659 -12.895 10.158 1.00 63.13 H new ATOM 1067 N VAL A 63 5.032 -14.058 5.673 1.00 52.24 N ATOM 1068 CA VAL A 63 4.349 -13.034 6.445 1.00 35.03 C ATOM 1069 C VAL A 63 2.851 -13.343 6.480 1.00 4.02 C ATOM 1070 O VAL A 63 2.195 -13.141 7.502 1.00 23.34 O ATOM 1071 CB VAL A 63 4.660 -11.650 5.871 1.00 11.21 C ATOM 1072 CG1 VAL A 63 3.972 -10.551 6.684 1.00 65.32 C ATOM 1073 CG2 VAL A 63 6.170 -11.414 5.799 1.00 44.31 C ATOM 0 H VAL A 63 5.281 -13.781 4.723 1.00 52.24 H new ATOM 0 HA VAL A 63 4.706 -13.031 7.475 1.00 35.03 H new ATOM 0 HB VAL A 63 4.265 -11.612 4.856 1.00 11.21 H new ATOM 0 HG11 VAL A 63 4.210 -9.578 6.255 1.00 65.32 H new ATOM 0 HG12 VAL A 63 2.893 -10.704 6.662 1.00 65.32 H new ATOM 0 HG13 VAL A 63 4.323 -10.588 7.715 1.00 65.32 H new ATOM 0 HG21 VAL A 63 6.364 -10.423 5.388 1.00 44.31 H new ATOM 0 HG22 VAL A 63 6.597 -11.481 6.800 1.00 44.31 H new ATOM 0 HG23 VAL A 63 6.626 -12.169 5.158 1.00 44.31 H new ATOM 1083 N ILE A 64 2.352 -13.828 5.353 1.00 25.51 N ATOM 1084 CA ILE A 64 0.943 -14.166 5.242 1.00 30.30 C ATOM 1085 C ILE A 64 0.650 -15.397 6.104 1.00 3.31 C ATOM 1086 O ILE A 64 -0.397 -15.475 6.743 1.00 53.34 O ATOM 1087 CB ILE A 64 0.547 -14.336 3.774 1.00 74.05 C ATOM 1088 CG1 ILE A 64 1.228 -13.282 2.898 1.00 52.44 C ATOM 1089 CG2 ILE A 64 -0.976 -14.318 3.611 1.00 22.42 C ATOM 1090 CD1 ILE A 64 1.151 -11.898 3.543 1.00 35.01 C ATOM 0 H ILE A 64 2.898 -13.995 4.508 1.00 25.51 H new ATOM 0 HA ILE A 64 0.325 -13.353 5.623 1.00 30.30 H new ATOM 0 HB ILE A 64 0.896 -15.312 3.437 1.00 74.05 H new ATOM 0 HG12 ILE A 64 2.271 -13.555 2.739 1.00 52.44 H new ATOM 0 HG13 ILE A 64 0.752 -13.257 1.918 1.00 52.44 H new ATOM 0 HG21 ILE A 64 -1.231 -14.441 2.558 1.00 22.42 H new ATOM 0 HG22 ILE A 64 -1.413 -15.133 4.187 1.00 22.42 H new ATOM 0 HG23 ILE A 64 -1.369 -13.367 3.971 1.00 22.42 H new ATOM 0 HD11 ILE A 64 1.643 -11.169 2.899 1.00 35.01 H new ATOM 0 HD12 ILE A 64 0.107 -11.617 3.678 1.00 35.01 H new ATOM 0 HD13 ILE A 64 1.649 -11.920 4.512 1.00 35.01 H new ATOM 1102 N ARG A 65 1.594 -16.327 6.091 1.00 63.25 N ATOM 1103 CA ARG A 65 1.449 -17.548 6.863 1.00 61.31 C ATOM 1104 C ARG A 65 1.630 -17.260 8.355 1.00 12.01 C ATOM 1105 O ARG A 65 1.483 -18.154 9.187 1.00 41.52 O ATOM 1106 CB ARG A 65 2.471 -18.601 6.427 1.00 31.34 C ATOM 1107 CG ARG A 65 1.946 -20.015 6.683 1.00 61.42 C ATOM 1108 CD ARG A 65 1.150 -20.529 5.482 1.00 12.15 C ATOM 1109 NE ARG A 65 1.923 -20.324 4.236 1.00 42.22 N ATOM 1110 CZ ARG A 65 2.805 -21.215 3.736 1.00 13.14 C ATOM 1111 NH1 ARG A 65 3.034 -22.383 4.372 1.00 33.44 N ATOM 1112 NH2 ARG A 65 3.440 -20.927 2.616 1.00 34.13 N ATOM 0 H ARG A 65 2.461 -16.259 5.558 1.00 63.25 H new ATOM 0 HA ARG A 65 0.446 -17.935 6.684 1.00 61.31 H new ATOM 0 HB2 ARG A 65 2.695 -18.479 5.367 1.00 31.34 H new ATOM 0 HB3 ARG A 65 3.405 -18.453 6.969 1.00 31.34 H new ATOM 0 HG2 ARG A 65 2.781 -20.686 6.885 1.00 61.42 H new ATOM 0 HG3 ARG A 65 1.314 -20.017 7.571 1.00 61.42 H new ATOM 0 HD2 ARG A 65 0.926 -21.588 5.610 1.00 12.15 H new ATOM 0 HD3 ARG A 65 0.196 -20.007 5.418 1.00 12.15 H new ATOM 0 HE ARG A 65 1.780 -19.454 3.723 1.00 42.22 H new ATOM 0 HH11 ARG A 65 2.539 -22.598 5.237 1.00 33.44 H new ATOM 0 HH12 ARG A 65 3.702 -23.051 3.987 1.00 33.44 H new ATOM 0 HH21 ARG A 65 3.261 -20.042 2.141 1.00 34.13 H new ATOM 0 HH22 ARG A 65 4.110 -21.589 2.225 1.00 34.13 H new ATOM 1126 N LYS A 66 1.948 -16.007 8.648 1.00 55.44 N ATOM 1127 CA LYS A 66 2.152 -15.588 10.024 1.00 1.33 C ATOM 1128 C LYS A 66 0.846 -15.013 10.576 1.00 70.51 C ATOM 1129 O LYS A 66 0.474 -15.287 11.716 1.00 24.42 O ATOM 1130 CB LYS A 66 3.337 -14.627 10.122 1.00 12.24 C ATOM 1131 CG LYS A 66 4.598 -15.359 10.589 1.00 14.13 C ATOM 1132 CD LYS A 66 5.549 -14.403 11.314 1.00 31.51 C ATOM 1133 CE LYS A 66 6.465 -15.165 12.273 1.00 71.45 C ATOM 1134 NZ LYS A 66 5.919 -15.131 13.649 1.00 62.23 N ATOM 0 H LYS A 66 2.069 -15.268 7.955 1.00 55.44 H new ATOM 0 HA LYS A 66 2.413 -16.443 10.648 1.00 1.33 H new ATOM 0 HB2 LYS A 66 3.518 -14.166 9.151 1.00 12.24 H new ATOM 0 HB3 LYS A 66 3.101 -13.822 10.818 1.00 12.24 H new ATOM 0 HG2 LYS A 66 4.323 -16.178 11.254 1.00 14.13 H new ATOM 0 HG3 LYS A 66 5.105 -15.801 9.731 1.00 14.13 H new ATOM 0 HD2 LYS A 66 6.151 -13.860 10.585 1.00 31.51 H new ATOM 0 HD3 LYS A 66 4.973 -13.661 11.867 1.00 31.51 H new ATOM 0 HE2 LYS A 66 6.569 -16.198 11.942 1.00 71.45 H new ATOM 0 HE3 LYS A 66 7.462 -14.725 12.260 1.00 71.45 H new ATOM 0 HZ1 LYS A 66 6.553 -15.653 14.287 1.00 62.23 H new ATOM 0 HZ2 LYS A 66 5.843 -14.144 13.968 1.00 62.23 H new ATOM 0 HZ3 LYS A 66 4.977 -15.572 13.660 1.00 62.23 H new ATOM 1148 N ARG A 67 0.185 -14.224 9.742 1.00 1.25 N ATOM 1149 CA ARG A 67 -1.073 -13.607 10.130 1.00 11.04 C ATOM 1150 C ARG A 67 -2.112 -14.680 10.451 1.00 10.11 C ATOM 1151 O ARG A 67 -2.900 -14.528 11.383 1.00 74.15 O ATOM 1152 CB ARG A 67 -1.608 -12.701 9.019 1.00 53.20 C ATOM 1153 CG ARG A 67 -1.180 -11.249 9.243 1.00 23.03 C ATOM 1154 CD ARG A 67 -2.081 -10.564 10.272 1.00 34.01 C ATOM 1155 NE ARG A 67 -1.673 -10.953 11.640 1.00 70.52 N ATOM 1156 CZ ARG A 67 -0.655 -10.381 12.318 1.00 73.13 C ATOM 1157 NH1 ARG A 67 0.066 -9.386 11.760 1.00 21.20 N ATOM 1158 NH2 ARG A 67 -0.379 -10.807 13.536 1.00 2.44 N ATOM 0 H ARG A 67 0.497 -13.997 8.798 1.00 1.25 H new ATOM 0 HA ARG A 67 -0.887 -13.001 11.017 1.00 11.04 H new ATOM 0 HB2 ARG A 67 -1.240 -13.048 8.053 1.00 53.20 H new ATOM 0 HB3 ARG A 67 -2.696 -12.763 8.987 1.00 53.20 H new ATOM 0 HG2 ARG A 67 -0.145 -11.220 9.584 1.00 23.03 H new ATOM 0 HG3 ARG A 67 -1.220 -10.705 8.300 1.00 23.03 H new ATOM 0 HD2 ARG A 67 -2.019 -9.482 10.159 1.00 34.01 H new ATOM 0 HD3 ARG A 67 -3.121 -10.843 10.100 1.00 34.01 H new ATOM 0 HE ARG A 67 -2.193 -11.700 12.100 1.00 70.52 H new ATOM 0 HH11 ARG A 67 -0.156 -9.061 10.819 1.00 21.20 H new ATOM 0 HH12 ARG A 67 0.833 -8.959 12.279 1.00 21.20 H new ATOM 0 HH21 ARG A 67 -0.931 -11.557 13.951 1.00 2.44 H new ATOM 0 HH22 ARG A 67 0.387 -10.386 14.062 1.00 2.44 H new ATOM 1172 N ILE A 68 -2.085 -15.743 9.659 1.00 74.21 N ATOM 1173 CA ILE A 68 -3.017 -16.841 9.847 1.00 51.02 C ATOM 1174 C ILE A 68 -2.289 -18.016 10.503 1.00 1.12 C ATOM 1175 O ILE A 68 -2.868 -19.085 10.688 1.00 65.40 O ATOM 1176 CB ILE A 68 -3.696 -17.199 8.524 1.00 43.40 C ATOM 1177 CG1 ILE A 68 -2.724 -17.055 7.351 1.00 54.02 C ATOM 1178 CG2 ILE A 68 -4.969 -16.375 8.319 1.00 43.10 C ATOM 1179 CD1 ILE A 68 -3.324 -17.630 6.067 1.00 64.50 C ATOM 0 H ILE A 68 -1.432 -15.866 8.886 1.00 74.21 H new ATOM 0 HA ILE A 68 -3.821 -16.547 10.522 1.00 51.02 H new ATOM 0 HB ILE A 68 -3.995 -18.246 8.567 1.00 43.40 H new ATOM 0 HG12 ILE A 68 -2.480 -16.003 7.203 1.00 54.02 H new ATOM 0 HG13 ILE A 68 -1.791 -17.569 7.582 1.00 54.02 H new ATOM 0 HG21 ILE A 68 -5.431 -16.650 7.371 1.00 43.10 H new ATOM 0 HG22 ILE A 68 -5.666 -16.573 9.133 1.00 43.10 H new ATOM 0 HG23 ILE A 68 -4.718 -15.314 8.306 1.00 43.10 H new ATOM 0 HD11 ILE A 68 -2.612 -17.515 5.249 1.00 64.50 H new ATOM 0 HD12 ILE A 68 -3.544 -18.688 6.210 1.00 64.50 H new ATOM 0 HD13 ILE A 68 -4.244 -17.098 5.825 1.00 64.50 H new ATOM 1191 N MET A 69 -1.028 -17.779 10.836 1.00 12.12 N ATOM 1192 CA MET A 69 -0.214 -18.803 11.467 1.00 64.34 C ATOM 1193 C MET A 69 -0.528 -20.185 10.889 1.00 52.33 C ATOM 1194 O MET A 69 -0.431 -21.191 11.590 1.00 32.01 O ATOM 1195 CB MET A 69 -0.478 -18.809 12.974 1.00 12.53 C ATOM 1196 CG MET A 69 -1.912 -19.244 13.278 1.00 10.21 C ATOM 1197 SD MET A 69 -2.171 -19.304 15.044 1.00 12.40 S ATOM 1198 CE MET A 69 -3.535 -18.164 15.197 1.00 45.12 C ATOM 0 H MET A 69 -0.550 -16.891 10.680 1.00 12.12 H new ATOM 0 HA MET A 69 0.835 -18.577 11.274 1.00 64.34 H new ATOM 0 HB2 MET A 69 0.222 -19.483 13.467 1.00 12.53 H new ATOM 0 HB3 MET A 69 -0.302 -17.813 13.381 1.00 12.53 H new ATOM 0 HG2 MET A 69 -2.616 -18.548 12.822 1.00 10.21 H new ATOM 0 HG3 MET A 69 -2.104 -20.224 12.841 1.00 10.21 H new ATOM 0 HE1 MET A 69 -3.826 -18.083 16.244 1.00 45.12 H new ATOM 0 HE2 MET A 69 -3.233 -17.184 14.827 1.00 45.12 H new ATOM 0 HE3 MET A 69 -4.381 -18.528 14.613 1.00 45.12 H new ATOM 1208 N LEU A 70 -0.897 -20.189 9.618 1.00 62.43 N ATOM 1209 CA LEU A 70 -1.226 -21.431 8.936 1.00 10.14 C ATOM 1210 C LEU A 70 -0.116 -22.452 9.187 1.00 2.25 C ATOM 1211 O LEU A 70 1.065 -22.105 9.188 1.00 31.43 O ATOM 1212 CB LEU A 70 -1.500 -21.172 7.454 1.00 61.22 C ATOM 1213 CG LEU A 70 -2.645 -21.978 6.835 1.00 11.33 C ATOM 1214 CD1 LEU A 70 -3.882 -21.956 7.734 1.00 30.12 C ATOM 1215 CD2 LEU A 70 -2.957 -21.489 5.419 1.00 2.24 C ATOM 0 H LEU A 70 -0.976 -19.352 9.041 1.00 62.43 H new ATOM 0 HA LEU A 70 -2.147 -21.854 9.336 1.00 10.14 H new ATOM 0 HB2 LEU A 70 -1.716 -20.112 7.324 1.00 61.22 H new ATOM 0 HB3 LEU A 70 -0.589 -21.382 6.894 1.00 61.22 H new ATOM 0 HG LEU A 70 -2.325 -23.017 6.754 1.00 11.33 H new ATOM 0 HD11 LEU A 70 -4.680 -22.536 7.270 1.00 30.12 H new ATOM 0 HD12 LEU A 70 -3.635 -22.389 8.703 1.00 30.12 H new ATOM 0 HD13 LEU A 70 -4.214 -20.927 7.871 1.00 30.12 H new ATOM 0 HD21 LEU A 70 -3.774 -22.078 5.002 1.00 2.24 H new ATOM 0 HD22 LEU A 70 -3.247 -20.439 5.452 1.00 2.24 H new ATOM 0 HD23 LEU A 70 -2.072 -21.601 4.792 1.00 2.24 H new ATOM 1227 N PRO A 71 -0.543 -23.725 9.399 1.00 43.24 N ATOM 1228 CA PRO A 71 0.402 -24.802 9.650 1.00 13.55 C ATOM 1229 C PRO A 71 1.112 -25.218 8.361 1.00 75.31 C ATOM 1230 O PRO A 71 0.734 -24.788 7.272 1.00 21.12 O ATOM 1231 CB PRO A 71 -0.428 -25.919 10.258 1.00 61.24 C ATOM 1232 CG PRO A 71 -1.873 -25.610 9.900 1.00 24.13 C ATOM 1233 CD PRO A 71 -1.933 -24.175 9.406 1.00 33.31 C ATOM 0 HA PRO A 71 1.206 -24.509 10.325 1.00 13.55 H new ATOM 0 HB2 PRO A 71 -0.127 -26.889 9.862 1.00 61.24 H new ATOM 0 HB3 PRO A 71 -0.294 -25.961 11.339 1.00 61.24 H new ATOM 0 HG2 PRO A 71 -2.230 -26.294 9.130 1.00 24.13 H new ATOM 0 HG3 PRO A 71 -2.518 -25.742 10.768 1.00 24.13 H new ATOM 0 HD2 PRO A 71 -2.373 -24.117 8.410 1.00 33.31 H new ATOM 0 HD3 PRO A 71 -2.546 -23.556 10.061 1.00 33.31 H new ATOM 1241 N PRO A 72 2.157 -26.072 8.532 1.00 11.43 N ATOM 1242 CA PRO A 72 2.925 -26.552 7.395 1.00 73.31 C ATOM 1243 C PRO A 72 2.142 -27.609 6.612 1.00 14.34 C ATOM 1244 O PRO A 72 2.618 -28.109 5.593 1.00 14.13 O ATOM 1245 CB PRO A 72 4.216 -27.088 7.991 1.00 1.11 C ATOM 1246 CG PRO A 72 3.932 -27.315 9.466 1.00 12.50 C ATOM 1247 CD PRO A 72 2.634 -26.601 9.805 1.00 2.00 C ATOM 0 HA PRO A 72 3.134 -25.769 6.667 1.00 73.31 H new ATOM 0 HB2 PRO A 72 4.515 -28.016 7.504 1.00 1.11 H new ATOM 0 HB3 PRO A 72 5.033 -26.379 7.855 1.00 1.11 H new ATOM 0 HG2 PRO A 72 3.849 -28.381 9.679 1.00 12.50 H new ATOM 0 HG3 PRO A 72 4.750 -26.931 10.076 1.00 12.50 H new ATOM 0 HD2 PRO A 72 1.909 -27.286 10.245 1.00 2.00 H new ATOM 0 HD3 PRO A 72 2.799 -25.803 10.528 1.00 2.00 H new ATOM 1255 N GLU A 73 0.957 -27.917 7.118 1.00 4.32 N ATOM 1256 CA GLU A 73 0.106 -28.906 6.479 1.00 33.04 C ATOM 1257 C GLU A 73 -0.798 -28.237 5.442 1.00 15.04 C ATOM 1258 O GLU A 73 -1.638 -28.894 4.828 1.00 75.11 O ATOM 1259 CB GLU A 73 -0.722 -29.668 7.515 1.00 51.24 C ATOM 1260 CG GLU A 73 -0.022 -29.678 8.876 1.00 33.54 C ATOM 1261 CD GLU A 73 -0.293 -30.986 9.623 1.00 53.33 C ATOM 1262 OE1 GLU A 73 0.626 -31.799 9.801 1.00 25.23 O ATOM 1263 OE2 GLU A 73 -1.508 -31.142 10.025 1.00 11.00 O ATOM 0 H GLU A 73 0.566 -27.499 7.963 1.00 4.32 H new ATOM 0 HA GLU A 73 0.743 -29.628 5.967 1.00 33.04 H new ATOM 0 HB2 GLU A 73 -1.705 -29.207 7.611 1.00 51.24 H new ATOM 0 HB3 GLU A 73 -0.882 -30.692 7.177 1.00 51.24 H new ATOM 0 HG2 GLU A 73 1.052 -29.550 8.738 1.00 33.54 H new ATOM 0 HG3 GLU A 73 -0.369 -28.835 9.474 1.00 33.54 H new ATOM 1271 N LYS A 74 -0.594 -26.937 5.275 1.00 15.22 N ATOM 1272 CA LYS A 74 -1.379 -26.172 4.322 1.00 74.24 C ATOM 1273 C LYS A 74 -0.439 -25.467 3.343 1.00 4.24 C ATOM 1274 O LYS A 74 0.780 -25.594 3.446 1.00 22.52 O ATOM 1275 CB LYS A 74 -2.331 -25.223 5.053 1.00 43.43 C ATOM 1276 CG LYS A 74 -3.589 -25.958 5.517 1.00 13.23 C ATOM 1277 CD LYS A 74 -4.842 -25.118 5.260 1.00 31.31 C ATOM 1278 CE LYS A 74 -5.927 -25.420 6.295 1.00 43.12 C ATOM 1279 NZ LYS A 74 -6.951 -26.326 5.724 1.00 72.20 N ATOM 0 H LYS A 74 0.104 -26.395 5.784 1.00 15.22 H new ATOM 0 HA LYS A 74 -2.015 -26.833 3.733 1.00 74.24 H new ATOM 0 HB2 LYS A 74 -1.824 -24.785 5.913 1.00 43.43 H new ATOM 0 HB3 LYS A 74 -2.608 -24.401 4.393 1.00 43.43 H new ATOM 0 HG2 LYS A 74 -3.672 -26.910 4.993 1.00 13.23 H new ATOM 0 HG3 LYS A 74 -3.511 -26.185 6.580 1.00 13.23 H new ATOM 0 HD2 LYS A 74 -4.587 -24.059 5.294 1.00 31.31 H new ATOM 0 HD3 LYS A 74 -5.222 -25.323 4.259 1.00 31.31 H new ATOM 0 HE2 LYS A 74 -5.479 -25.878 7.177 1.00 43.12 H new ATOM 0 HE3 LYS A 74 -6.396 -24.491 6.621 1.00 43.12 H new ATOM 0 HZ1 LYS A 74 -7.680 -26.521 6.440 1.00 72.20 H new ATOM 0 HZ2 LYS A 74 -7.390 -25.875 4.896 1.00 72.20 H new ATOM 0 HZ3 LYS A 74 -6.502 -27.219 5.435 1.00 72.20 H new ATOM 1293 N ALA A 75 -1.042 -24.740 2.414 1.00 2.43 N ATOM 1294 CA ALA A 75 -0.273 -24.015 1.416 1.00 13.52 C ATOM 1295 C ALA A 75 -0.884 -22.626 1.218 1.00 54.01 C ATOM 1296 O ALA A 75 -2.023 -22.382 1.616 1.00 43.42 O ATOM 1297 CB ALA A 75 -0.230 -24.823 0.118 1.00 3.35 C ATOM 0 H ALA A 75 -2.053 -24.637 2.331 1.00 2.43 H new ATOM 0 HA ALA A 75 0.756 -23.879 1.749 1.00 13.52 H new ATOM 0 HB1 ALA A 75 0.347 -24.279 -0.630 1.00 3.35 H new ATOM 0 HB2 ALA A 75 0.239 -25.789 0.306 1.00 3.35 H new ATOM 0 HB3 ALA A 75 -1.245 -24.978 -0.248 1.00 3.35 H new ATOM 1303 N ILE A 76 -0.102 -21.752 0.603 1.00 45.33 N ATOM 1304 CA ILE A 76 -0.551 -20.394 0.347 1.00 65.33 C ATOM 1305 C ILE A 76 0.223 -19.821 -0.841 1.00 4.31 C ATOM 1306 O ILE A 76 1.438 -19.645 -0.769 1.00 22.55 O ATOM 1307 CB ILE A 76 -0.444 -19.546 1.618 1.00 71.13 C ATOM 1308 CG1 ILE A 76 -1.646 -18.611 1.755 1.00 33.21 C ATOM 1309 CG2 ILE A 76 0.883 -18.786 1.659 1.00 65.54 C ATOM 1310 CD1 ILE A 76 -1.544 -17.769 3.028 1.00 43.42 C ATOM 0 H ILE A 76 0.841 -21.958 0.274 1.00 45.33 H new ATOM 0 HA ILE A 76 -1.606 -20.387 0.074 1.00 65.33 H new ATOM 0 HB ILE A 76 -0.458 -20.215 2.478 1.00 71.13 H new ATOM 0 HG12 ILE A 76 -1.703 -17.956 0.885 1.00 33.21 H new ATOM 0 HG13 ILE A 76 -2.566 -19.196 1.774 1.00 33.21 H new ATOM 0 HG21 ILE A 76 0.934 -18.192 2.571 1.00 65.54 H new ATOM 0 HG22 ILE A 76 1.710 -19.496 1.642 1.00 65.54 H new ATOM 0 HG23 ILE A 76 0.952 -18.128 0.793 1.00 65.54 H new ATOM 0 HD11 ILE A 76 -2.411 -17.113 3.101 1.00 43.42 H new ATOM 0 HD12 ILE A 76 -1.512 -18.426 3.897 1.00 43.42 H new ATOM 0 HD13 ILE A 76 -0.636 -17.167 2.994 1.00 43.42 H new ATOM 1322 N PHE A 77 -0.514 -19.544 -1.908 1.00 12.42 N ATOM 1323 CA PHE A 77 0.087 -18.993 -3.110 1.00 62.30 C ATOM 1324 C PHE A 77 -0.380 -17.556 -3.348 1.00 33.33 C ATOM 1325 O PHE A 77 -1.567 -17.259 -3.235 1.00 33.52 O ATOM 1326 CB PHE A 77 -0.372 -19.867 -4.279 1.00 40.44 C ATOM 1327 CG PHE A 77 0.055 -21.332 -4.166 1.00 70.23 C ATOM 1328 CD1 PHE A 77 -0.652 -22.187 -3.381 1.00 44.34 C ATOM 1329 CD2 PHE A 77 1.142 -21.779 -4.852 1.00 4.54 C ATOM 1330 CE1 PHE A 77 -0.256 -23.547 -3.276 1.00 41.05 C ATOM 1331 CE2 PHE A 77 1.538 -23.137 -4.747 1.00 1.33 C ATOM 1332 CZ PHE A 77 0.831 -23.993 -3.962 1.00 35.23 C ATOM 0 H PHE A 77 -1.522 -19.691 -1.964 1.00 12.42 H new ATOM 0 HA PHE A 77 1.173 -18.981 -3.012 1.00 62.30 H new ATOM 0 HB2 PHE A 77 -1.459 -19.820 -4.349 1.00 40.44 H new ATOM 0 HB3 PHE A 77 0.025 -19.454 -5.206 1.00 40.44 H new ATOM 0 HD1 PHE A 77 -1.515 -21.832 -2.837 1.00 44.34 H new ATOM 0 HD2 PHE A 77 1.703 -21.100 -5.476 1.00 4.54 H new ATOM 0 HE1 PHE A 77 -0.817 -24.227 -2.652 1.00 41.05 H new ATOM 0 HE2 PHE A 77 2.401 -23.491 -5.291 1.00 1.33 H new ATOM 0 HZ PHE A 77 1.132 -25.027 -3.883 1.00 35.23 H new ATOM 1342 N ILE A 78 0.580 -16.702 -3.674 1.00 3.55 N ATOM 1343 CA ILE A 78 0.281 -15.303 -3.929 1.00 70.04 C ATOM 1344 C ILE A 78 -0.162 -15.138 -5.384 1.00 63.43 C ATOM 1345 O ILE A 78 0.515 -15.603 -6.299 1.00 62.34 O ATOM 1346 CB ILE A 78 1.472 -14.423 -3.545 1.00 15.11 C ATOM 1347 CG1 ILE A 78 1.927 -14.710 -2.113 1.00 31.40 C ATOM 1348 CG2 ILE A 78 1.150 -12.942 -3.758 1.00 23.31 C ATOM 1349 CD1 ILE A 78 1.080 -13.933 -1.102 1.00 44.32 C ATOM 0 H ILE A 78 1.564 -16.952 -3.767 1.00 3.55 H new ATOM 0 HA ILE A 78 -0.547 -14.970 -3.304 1.00 70.04 H new ATOM 0 HB ILE A 78 2.305 -14.670 -4.203 1.00 15.11 H new ATOM 0 HG12 ILE A 78 1.852 -15.778 -1.911 1.00 31.40 H new ATOM 0 HG13 ILE A 78 2.976 -14.437 -1.999 1.00 31.40 H new ATOM 0 HG21 ILE A 78 2.013 -12.338 -3.478 1.00 23.31 H new ATOM 0 HG22 ILE A 78 0.911 -12.769 -4.807 1.00 23.31 H new ATOM 0 HG23 ILE A 78 0.296 -12.663 -3.141 1.00 23.31 H new ATOM 0 HD11 ILE A 78 1.424 -14.155 -0.092 1.00 44.32 H new ATOM 0 HD12 ILE A 78 1.177 -12.864 -1.292 1.00 44.32 H new ATOM 0 HD13 ILE A 78 0.035 -14.226 -1.202 1.00 44.32 H new ATOM 1361 N PHE A 79 -1.296 -14.475 -5.552 1.00 54.23 N ATOM 1362 CA PHE A 79 -1.837 -14.242 -6.880 1.00 2.04 C ATOM 1363 C PHE A 79 -2.049 -12.748 -7.133 1.00 53.42 C ATOM 1364 O PHE A 79 -2.815 -12.098 -6.424 1.00 2.01 O ATOM 1365 CB PHE A 79 -3.191 -14.955 -6.943 1.00 31.10 C ATOM 1366 CG PHE A 79 -3.122 -16.369 -7.522 1.00 60.10 C ATOM 1367 CD1 PHE A 79 -2.581 -16.575 -8.752 1.00 30.00 C ATOM 1368 CD2 PHE A 79 -3.605 -17.421 -6.806 1.00 2.43 C ATOM 1369 CE1 PHE A 79 -2.518 -17.887 -9.290 1.00 1.54 C ATOM 1370 CE2 PHE A 79 -3.541 -18.733 -7.345 1.00 63.12 C ATOM 1371 CZ PHE A 79 -3.000 -18.939 -8.574 1.00 62.01 C ATOM 0 H PHE A 79 -1.856 -14.091 -4.790 1.00 54.23 H new ATOM 0 HA PHE A 79 -1.144 -14.616 -7.634 1.00 2.04 H new ATOM 0 HB2 PHE A 79 -3.611 -15.005 -5.938 1.00 31.10 H new ATOM 0 HB3 PHE A 79 -3.876 -14.359 -7.546 1.00 31.10 H new ATOM 0 HD1 PHE A 79 -2.199 -15.740 -9.320 1.00 30.00 H new ATOM 0 HD2 PHE A 79 -4.036 -17.258 -5.829 1.00 2.43 H new ATOM 0 HE1 PHE A 79 -2.088 -18.050 -10.267 1.00 1.54 H new ATOM 0 HE2 PHE A 79 -3.923 -19.568 -6.777 1.00 63.12 H new ATOM 0 HZ PHE A 79 -2.952 -19.938 -8.983 1.00 62.01 H new ATOM 1381 N VAL A 80 -1.356 -12.247 -8.144 1.00 21.44 N ATOM 1382 CA VAL A 80 -1.458 -10.841 -8.500 1.00 62.12 C ATOM 1383 C VAL A 80 -2.070 -10.716 -9.896 1.00 53.14 C ATOM 1384 O VAL A 80 -1.384 -10.917 -10.898 1.00 72.31 O ATOM 1385 CB VAL A 80 -0.088 -10.173 -8.384 1.00 75.21 C ATOM 1386 CG1 VAL A 80 -0.231 -8.673 -8.120 1.00 74.51 C ATOM 1387 CG2 VAL A 80 0.761 -10.843 -7.301 1.00 72.24 C ATOM 0 H VAL A 80 -0.721 -12.790 -8.729 1.00 21.44 H new ATOM 0 HA VAL A 80 -2.119 -10.318 -7.809 1.00 62.12 H new ATOM 0 HB VAL A 80 0.427 -10.298 -9.336 1.00 75.21 H new ATOM 0 HG11 VAL A 80 0.758 -8.221 -8.042 1.00 74.51 H new ATOM 0 HG12 VAL A 80 -0.777 -8.209 -8.941 1.00 74.51 H new ATOM 0 HG13 VAL A 80 -0.776 -8.518 -7.189 1.00 74.51 H new ATOM 0 HG21 VAL A 80 1.730 -10.348 -7.240 1.00 72.24 H new ATOM 0 HG22 VAL A 80 0.253 -10.765 -6.340 1.00 72.24 H new ATOM 0 HG23 VAL A 80 0.906 -11.894 -7.551 1.00 72.24 H new ATOM 1397 N ASN A 81 -3.352 -10.384 -9.918 1.00 42.00 N ATOM 1398 CA ASN A 81 -4.063 -10.229 -11.176 1.00 42.34 C ATOM 1399 C ASN A 81 -4.288 -11.607 -11.803 1.00 23.52 C ATOM 1400 O ASN A 81 -4.464 -11.720 -13.015 1.00 11.11 O ATOM 1401 CB ASN A 81 -3.257 -9.386 -12.165 1.00 33.42 C ATOM 1402 CG ASN A 81 -2.485 -8.280 -11.441 1.00 32.13 C ATOM 1403 OD1 ASN A 81 -3.047 -7.310 -10.960 1.00 74.42 O ATOM 1404 ND2 ASN A 81 -1.172 -8.480 -11.391 1.00 23.44 N ATOM 0 H ASN A 81 -3.917 -10.218 -9.085 1.00 42.00 H new ATOM 0 HA ASN A 81 -5.011 -9.732 -10.968 1.00 42.34 H new ATOM 0 HB2 ASN A 81 -2.561 -10.024 -12.709 1.00 33.42 H new ATOM 0 HB3 ASN A 81 -3.927 -8.944 -12.902 1.00 33.42 H new ATOM 0 HD21 ASN A 81 -0.570 -7.799 -10.929 1.00 23.44 H new ATOM 0 HD22 ASN A 81 -0.767 -9.315 -11.815 1.00 23.44 H new ATOM 1411 N ASP A 82 -4.273 -12.621 -10.950 1.00 73.32 N ATOM 1412 CA ASP A 82 -4.473 -13.986 -11.404 1.00 23.32 C ATOM 1413 C ASP A 82 -3.151 -14.539 -11.939 1.00 11.03 C ATOM 1414 O ASP A 82 -3.141 -15.504 -12.701 1.00 50.53 O ATOM 1415 CB ASP A 82 -5.502 -14.044 -12.536 1.00 70.50 C ATOM 1416 CG ASP A 82 -6.664 -13.059 -12.404 1.00 21.54 C ATOM 1417 OD1 ASP A 82 -6.854 -12.431 -11.351 1.00 75.13 O ATOM 1418 OD2 ASP A 82 -7.404 -12.944 -13.454 1.00 63.05 O ATOM 0 H ASP A 82 -4.125 -12.524 -9.945 1.00 73.32 H new ATOM 0 HA ASP A 82 -4.832 -14.574 -10.559 1.00 23.32 H new ATOM 0 HB2 ASP A 82 -4.992 -13.856 -13.481 1.00 70.50 H new ATOM 0 HB3 ASP A 82 -5.906 -15.055 -12.588 1.00 70.50 H new ATOM 1424 N THR A 83 -2.067 -13.904 -11.518 1.00 42.44 N ATOM 1425 CA THR A 83 -0.742 -14.321 -11.944 1.00 61.11 C ATOM 1426 C THR A 83 0.113 -14.705 -10.734 1.00 21.15 C ATOM 1427 O THR A 83 0.039 -14.060 -9.690 1.00 74.25 O ATOM 1428 CB THR A 83 -0.137 -13.191 -12.781 1.00 23.31 C ATOM 1429 OG1 THR A 83 0.762 -13.856 -13.663 1.00 43.30 O ATOM 1430 CG2 THR A 83 0.763 -12.269 -11.957 1.00 30.14 C ATOM 0 H THR A 83 -2.079 -13.103 -10.886 1.00 42.44 H new ATOM 0 HA THR A 83 -0.790 -15.216 -12.565 1.00 61.11 H new ATOM 0 HB THR A 83 -0.938 -12.606 -13.234 1.00 23.31 H new ATOM 0 HG1 THR A 83 1.197 -13.198 -14.244 1.00 43.30 H new ATOM 0 HG21 THR A 83 1.166 -11.485 -12.599 1.00 30.14 H new ATOM 0 HG22 THR A 83 0.182 -11.817 -11.153 1.00 30.14 H new ATOM 0 HG23 THR A 83 1.583 -12.847 -11.531 1.00 30.14 H new ATOM 1438 N LEU A 84 0.903 -15.752 -10.916 1.00 12.33 N ATOM 1439 CA LEU A 84 1.769 -16.229 -9.852 1.00 64.22 C ATOM 1440 C LEU A 84 3.211 -15.814 -10.149 1.00 22.45 C ATOM 1441 O LEU A 84 3.856 -16.384 -11.029 1.00 1.12 O ATOM 1442 CB LEU A 84 1.592 -17.735 -9.652 1.00 62.51 C ATOM 1443 CG LEU A 84 0.702 -18.156 -8.479 1.00 1.30 C ATOM 1444 CD1 LEU A 84 0.256 -19.612 -8.626 1.00 31.45 C ATOM 1445 CD2 LEU A 84 1.399 -17.901 -7.142 1.00 5.15 C ATOM 0 H LEU A 84 0.962 -16.284 -11.785 1.00 12.33 H new ATOM 0 HA LEU A 84 1.494 -15.770 -8.903 1.00 64.22 H new ATOM 0 HB2 LEU A 84 1.177 -18.157 -10.567 1.00 62.51 H new ATOM 0 HB3 LEU A 84 2.577 -18.181 -9.514 1.00 62.51 H new ATOM 0 HG LEU A 84 -0.197 -17.541 -8.494 1.00 1.30 H new ATOM 0 HD11 LEU A 84 -0.375 -19.886 -7.780 1.00 31.45 H new ATOM 0 HD12 LEU A 84 -0.307 -19.728 -9.552 1.00 31.45 H new ATOM 0 HD13 LEU A 84 1.132 -20.260 -8.651 1.00 31.45 H new ATOM 0 HD21 LEU A 84 0.745 -18.209 -6.326 1.00 5.15 H new ATOM 0 HD22 LEU A 84 2.326 -18.473 -7.100 1.00 5.15 H new ATOM 0 HD23 LEU A 84 1.624 -16.839 -7.046 1.00 5.15 H new ATOM 1457 N PRO A 85 3.687 -14.797 -9.382 1.00 73.14 N ATOM 1458 CA PRO A 85 5.041 -14.298 -9.555 1.00 54.01 C ATOM 1459 C PRO A 85 6.064 -15.271 -8.963 1.00 31.32 C ATOM 1460 O PRO A 85 5.703 -16.176 -8.211 1.00 23.50 O ATOM 1461 CB PRO A 85 5.050 -12.939 -8.875 1.00 13.52 C ATOM 1462 CG PRO A 85 3.845 -12.929 -7.948 1.00 42.32 C ATOM 1463 CD PRO A 85 2.952 -14.098 -8.333 1.00 13.01 C ATOM 0 HA PRO A 85 5.324 -14.205 -10.603 1.00 54.01 H new ATOM 0 HB2 PRO A 85 5.974 -12.788 -8.316 1.00 13.52 H new ATOM 0 HB3 PRO A 85 4.986 -12.135 -9.608 1.00 13.52 H new ATOM 0 HG2 PRO A 85 4.162 -13.017 -6.909 1.00 42.32 H new ATOM 0 HG3 PRO A 85 3.302 -11.988 -8.037 1.00 42.32 H new ATOM 0 HD2 PRO A 85 2.764 -14.750 -7.480 1.00 13.01 H new ATOM 0 HD3 PRO A 85 1.982 -13.754 -8.691 1.00 13.01 H new ATOM 1471 N PRO A 86 7.353 -15.045 -9.335 1.00 12.01 N ATOM 1472 CA PRO A 86 8.430 -15.892 -8.848 1.00 0.14 C ATOM 1473 C PRO A 86 8.758 -15.575 -7.387 1.00 13.22 C ATOM 1474 O PRO A 86 8.035 -14.826 -6.732 1.00 70.44 O ATOM 1475 CB PRO A 86 9.593 -15.626 -9.789 1.00 21.33 C ATOM 1476 CG PRO A 86 9.280 -14.308 -10.479 1.00 1.45 C ATOM 1477 CD PRO A 86 7.817 -13.984 -10.223 1.00 12.41 C ATOM 0 HA PRO A 86 8.168 -16.950 -8.848 1.00 0.14 H new ATOM 0 HB2 PRO A 86 10.533 -15.566 -9.240 1.00 21.33 H new ATOM 0 HB3 PRO A 86 9.699 -16.431 -10.516 1.00 21.33 H new ATOM 0 HG2 PRO A 86 9.920 -13.514 -10.094 1.00 1.45 H new ATOM 0 HG3 PRO A 86 9.473 -14.382 -11.549 1.00 1.45 H new ATOM 0 HD2 PRO A 86 7.703 -13.003 -9.761 1.00 12.41 H new ATOM 0 HD3 PRO A 86 7.247 -13.967 -11.152 1.00 12.41 H new ATOM 1485 N THR A 87 9.850 -16.163 -6.920 1.00 44.33 N ATOM 1486 CA THR A 87 10.284 -15.953 -5.548 1.00 62.41 C ATOM 1487 C THR A 87 11.292 -14.804 -5.478 1.00 30.31 C ATOM 1488 O THR A 87 11.318 -14.055 -4.503 1.00 14.22 O ATOM 1489 CB THR A 87 10.833 -17.277 -5.019 1.00 10.12 C ATOM 1490 OG1 THR A 87 12.163 -17.331 -5.528 1.00 55.12 O ATOM 1491 CG2 THR A 87 10.145 -18.491 -5.647 1.00 50.43 C ATOM 0 H THR A 87 10.447 -16.784 -7.466 1.00 44.33 H new ATOM 0 HA THR A 87 9.452 -15.652 -4.911 1.00 62.41 H new ATOM 0 HB THR A 87 10.712 -17.311 -3.936 1.00 10.12 H new ATOM 0 HG1 THR A 87 12.594 -18.159 -5.230 1.00 55.12 H new ATOM 0 HG21 THR A 87 10.573 -19.405 -5.236 1.00 50.43 H new ATOM 0 HG22 THR A 87 9.078 -18.459 -5.426 1.00 50.43 H new ATOM 0 HG23 THR A 87 10.293 -18.475 -6.727 1.00 50.43 H new ATOM 1499 N ALA A 88 12.098 -14.702 -6.524 1.00 71.44 N ATOM 1500 CA ALA A 88 13.107 -13.658 -6.593 1.00 13.45 C ATOM 1501 C ALA A 88 12.465 -12.368 -7.108 1.00 44.20 C ATOM 1502 O ALA A 88 13.157 -11.385 -7.365 1.00 63.25 O ATOM 1503 CB ALA A 88 14.266 -14.125 -7.476 1.00 64.41 C ATOM 0 H ALA A 88 12.073 -15.325 -7.331 1.00 71.44 H new ATOM 0 HA ALA A 88 13.514 -13.452 -5.603 1.00 13.45 H new ATOM 0 HB1 ALA A 88 15.023 -13.342 -7.528 1.00 64.41 H new ATOM 0 HB2 ALA A 88 14.706 -15.027 -7.052 1.00 64.41 H new ATOM 0 HB3 ALA A 88 13.896 -14.339 -8.479 1.00 64.41 H new ATOM 1509 N ALA A 89 11.147 -12.414 -7.244 1.00 34.45 N ATOM 1510 CA ALA A 89 10.405 -11.261 -7.724 1.00 73.43 C ATOM 1511 C ALA A 89 10.286 -10.232 -6.598 1.00 42.11 C ATOM 1512 O ALA A 89 9.182 -9.880 -6.187 1.00 30.52 O ATOM 1513 CB ALA A 89 9.038 -11.715 -8.244 1.00 61.45 C ATOM 0 H ALA A 89 10.575 -13.231 -7.030 1.00 34.45 H new ATOM 0 HA ALA A 89 10.929 -10.785 -8.553 1.00 73.43 H new ATOM 0 HB1 ALA A 89 8.480 -10.851 -8.604 1.00 61.45 H new ATOM 0 HB2 ALA A 89 9.176 -12.424 -9.061 1.00 61.45 H new ATOM 0 HB3 ALA A 89 8.483 -12.194 -7.438 1.00 61.45 H new ATOM 1519 N LEU A 90 11.440 -9.776 -6.132 1.00 64.42 N ATOM 1520 CA LEU A 90 11.480 -8.794 -5.063 1.00 63.51 C ATOM 1521 C LEU A 90 10.165 -8.012 -5.044 1.00 52.21 C ATOM 1522 O LEU A 90 9.784 -7.410 -6.047 1.00 54.01 O ATOM 1523 CB LEU A 90 12.721 -7.908 -5.196 1.00 34.25 C ATOM 1524 CG LEU A 90 13.724 -7.981 -4.043 1.00 71.21 C ATOM 1525 CD1 LEU A 90 13.877 -9.418 -3.540 1.00 54.54 C ATOM 1526 CD2 LEU A 90 15.067 -7.368 -4.447 1.00 41.31 C ATOM 0 H LEU A 90 12.354 -10.069 -6.476 1.00 64.42 H new ATOM 0 HA LEU A 90 11.571 -9.288 -4.096 1.00 63.51 H new ATOM 0 HB2 LEU A 90 13.237 -8.176 -6.118 1.00 34.25 H new ATOM 0 HB3 LEU A 90 12.395 -6.873 -5.303 1.00 34.25 H new ATOM 0 HG LEU A 90 13.336 -7.390 -3.213 1.00 71.21 H new ATOM 0 HD11 LEU A 90 14.595 -9.442 -2.721 1.00 54.54 H new ATOM 0 HD12 LEU A 90 12.913 -9.785 -3.188 1.00 54.54 H new ATOM 0 HD13 LEU A 90 14.232 -10.052 -4.352 1.00 54.54 H new ATOM 0 HD21 LEU A 90 15.763 -7.432 -3.610 1.00 41.31 H new ATOM 0 HD22 LEU A 90 15.474 -7.912 -5.299 1.00 41.31 H new ATOM 0 HD23 LEU A 90 14.923 -6.323 -4.719 1.00 41.31 H new ATOM 1538 N MET A 91 9.509 -8.048 -3.894 1.00 32.43 N ATOM 1539 CA MET A 91 8.245 -7.350 -3.733 1.00 22.31 C ATOM 1540 C MET A 91 8.345 -5.911 -4.239 1.00 44.01 C ATOM 1541 O MET A 91 7.332 -5.289 -4.560 1.00 41.02 O ATOM 1542 CB MET A 91 7.850 -7.346 -2.254 1.00 61.30 C ATOM 1543 CG MET A 91 7.769 -8.771 -1.704 1.00 10.20 C ATOM 1544 SD MET A 91 6.383 -9.629 -2.432 1.00 71.21 S ATOM 1545 CE MET A 91 5.122 -8.376 -2.263 1.00 3.14 C ATOM 0 H MET A 91 9.829 -8.549 -3.065 1.00 32.43 H new ATOM 0 HA MET A 91 7.487 -7.869 -4.320 1.00 22.31 H new ATOM 0 HB2 MET A 91 8.578 -6.772 -1.681 1.00 61.30 H new ATOM 0 HB3 MET A 91 6.887 -6.850 -2.133 1.00 61.30 H new ATOM 0 HG2 MET A 91 8.693 -9.306 -1.921 1.00 10.20 H new ATOM 0 HG3 MET A 91 7.663 -8.745 -0.620 1.00 10.20 H new ATOM 0 HE1 MET A 91 4.138 -8.839 -2.329 1.00 3.14 H new ATOM 0 HE2 MET A 91 5.227 -7.882 -1.297 1.00 3.14 H new ATOM 0 HE3 MET A 91 5.231 -7.641 -3.060 1.00 3.14 H new ATOM 1555 N SER A 92 9.574 -5.420 -4.296 1.00 61.22 N ATOM 1556 CA SER A 92 9.819 -4.065 -4.758 1.00 10.22 C ATOM 1557 C SER A 92 9.505 -3.956 -6.252 1.00 3.55 C ATOM 1558 O SER A 92 8.793 -3.048 -6.675 1.00 30.35 O ATOM 1559 CB SER A 92 11.264 -3.643 -4.488 1.00 12.35 C ATOM 1560 OG SER A 92 11.539 -2.332 -4.975 1.00 55.11 O ATOM 0 H SER A 92 10.412 -5.937 -4.029 1.00 61.22 H new ATOM 0 HA SER A 92 9.163 -3.392 -4.205 1.00 10.22 H new ATOM 0 HB2 SER A 92 11.458 -3.679 -3.416 1.00 12.35 H new ATOM 0 HB3 SER A 92 11.943 -4.354 -4.959 1.00 12.35 H new ATOM 0 HG SER A 92 12.471 -2.100 -4.781 1.00 55.11 H new ATOM 1566 N ALA A 93 10.052 -4.896 -7.010 1.00 51.43 N ATOM 1567 CA ALA A 93 9.840 -4.918 -8.445 1.00 44.32 C ATOM 1568 C ALA A 93 8.382 -5.279 -8.737 1.00 70.44 C ATOM 1569 O ALA A 93 7.864 -4.971 -9.808 1.00 35.31 O ATOM 1570 CB ALA A 93 10.823 -5.896 -9.092 1.00 51.33 C ATOM 0 H ALA A 93 10.642 -5.648 -6.655 1.00 51.43 H new ATOM 0 HA ALA A 93 10.028 -3.934 -8.875 1.00 44.32 H new ATOM 0 HB1 ALA A 93 10.663 -5.912 -10.170 1.00 51.33 H new ATOM 0 HB2 ALA A 93 11.844 -5.578 -8.881 1.00 51.33 H new ATOM 0 HB3 ALA A 93 10.663 -6.895 -8.686 1.00 51.33 H new ATOM 1576 N ILE A 94 7.760 -5.927 -7.761 1.00 40.34 N ATOM 1577 CA ILE A 94 6.373 -6.333 -7.898 1.00 0.42 C ATOM 1578 C ILE A 94 5.465 -5.133 -7.626 1.00 61.53 C ATOM 1579 O ILE A 94 4.470 -4.931 -8.321 1.00 44.40 O ATOM 1580 CB ILE A 94 6.078 -7.542 -7.008 1.00 24.11 C ATOM 1581 CG1 ILE A 94 7.109 -8.650 -7.229 1.00 53.44 C ATOM 1582 CG2 ILE A 94 4.647 -8.041 -7.217 1.00 24.34 C ATOM 1583 CD1 ILE A 94 6.863 -9.372 -8.556 1.00 10.40 C ATOM 0 H ILE A 94 8.193 -6.180 -6.873 1.00 40.34 H new ATOM 0 HA ILE A 94 6.171 -6.660 -8.918 1.00 0.42 H new ATOM 0 HB ILE A 94 6.161 -7.228 -5.967 1.00 24.11 H new ATOM 0 HG12 ILE A 94 8.112 -8.224 -7.223 1.00 53.44 H new ATOM 0 HG13 ILE A 94 7.061 -9.365 -6.408 1.00 53.44 H new ATOM 0 HG21 ILE A 94 4.464 -8.901 -6.573 1.00 24.34 H new ATOM 0 HG22 ILE A 94 3.944 -7.245 -6.969 1.00 24.34 H new ATOM 0 HG23 ILE A 94 4.512 -8.333 -8.258 1.00 24.34 H new ATOM 0 HD11 ILE A 94 7.610 -10.155 -8.688 1.00 10.40 H new ATOM 0 HD12 ILE A 94 5.868 -9.817 -8.549 1.00 10.40 H new ATOM 0 HD13 ILE A 94 6.936 -8.659 -9.377 1.00 10.40 H new ATOM 1595 N TYR A 95 5.840 -4.366 -6.613 1.00 51.15 N ATOM 1596 CA TYR A 95 5.072 -3.191 -6.239 1.00 20.24 C ATOM 1597 C TYR A 95 5.312 -2.043 -7.222 1.00 42.21 C ATOM 1598 O TYR A 95 4.680 -0.993 -7.124 1.00 45.41 O ATOM 1599 CB TYR A 95 5.580 -2.777 -4.857 1.00 42.53 C ATOM 1600 CG TYR A 95 5.503 -1.271 -4.591 1.00 20.22 C ATOM 1601 CD1 TYR A 95 4.332 -0.714 -4.119 1.00 32.12 C ATOM 1602 CD2 TYR A 95 6.605 -0.472 -4.822 1.00 42.40 C ATOM 1603 CE1 TYR A 95 4.259 0.703 -3.869 1.00 52.14 C ATOM 1604 CE2 TYR A 95 6.531 0.944 -4.573 1.00 23.54 C ATOM 1605 CZ TYR A 95 5.362 1.461 -4.108 1.00 24.44 C ATOM 1606 OH TYR A 95 5.293 2.799 -3.872 1.00 51.50 O ATOM 0 H TYR A 95 6.666 -4.536 -6.039 1.00 51.15 H new ATOM 0 HA TYR A 95 4.005 -3.413 -6.243 1.00 20.24 H new ATOM 0 HB2 TYR A 95 5.000 -3.300 -4.096 1.00 42.53 H new ATOM 0 HB3 TYR A 95 6.615 -3.102 -4.749 1.00 42.53 H new ATOM 0 HD1 TYR A 95 3.471 -1.340 -3.937 1.00 32.12 H new ATOM 0 HD2 TYR A 95 7.522 -0.909 -5.189 1.00 42.40 H new ATOM 0 HE1 TYR A 95 3.349 1.153 -3.500 1.00 52.14 H new ATOM 0 HE2 TYR A 95 7.384 1.581 -4.751 1.00 23.54 H new ATOM 0 HH TYR A 95 6.155 3.214 -4.086 1.00 51.50 H new ATOM 1616 N GLN A 96 6.227 -2.283 -8.151 1.00 41.34 N ATOM 1617 CA GLN A 96 6.559 -1.283 -9.151 1.00 40.14 C ATOM 1618 C GLN A 96 5.928 -1.650 -10.497 1.00 73.33 C ATOM 1619 O GLN A 96 5.935 -0.846 -11.427 1.00 35.05 O ATOM 1620 CB GLN A 96 8.074 -1.121 -9.282 1.00 62.44 C ATOM 1621 CG GLN A 96 8.495 -1.060 -10.753 1.00 73.05 C ATOM 1622 CD GLN A 96 10.011 -0.906 -10.884 1.00 52.22 C ATOM 1623 OE1 GLN A 96 10.784 -1.768 -10.499 1.00 22.34 O ATOM 1624 NE2 GLN A 96 10.392 0.236 -11.449 1.00 34.13 N ATOM 0 H GLN A 96 6.748 -3.156 -8.232 1.00 41.34 H new ATOM 0 HA GLN A 96 6.151 -0.325 -8.829 1.00 40.14 H new ATOM 0 HB2 GLN A 96 8.391 -0.212 -8.771 1.00 62.44 H new ATOM 0 HB3 GLN A 96 8.576 -1.954 -8.791 1.00 62.44 H new ATOM 0 HG2 GLN A 96 8.173 -1.967 -11.265 1.00 73.05 H new ATOM 0 HG3 GLN A 96 7.997 -0.223 -11.243 1.00 73.05 H new ATOM 0 HE21 GLN A 96 9.692 0.915 -11.749 1.00 34.13 H new ATOM 0 HE22 GLN A 96 11.384 0.433 -11.583 1.00 34.13 H new ATOM 1633 N GLU A 97 5.398 -2.862 -10.555 1.00 32.44 N ATOM 1634 CA GLU A 97 4.764 -3.344 -11.771 1.00 2.21 C ATOM 1635 C GLU A 97 3.304 -3.711 -11.497 1.00 41.50 C ATOM 1636 O GLU A 97 2.566 -4.058 -12.419 1.00 31.31 O ATOM 1637 CB GLU A 97 5.529 -4.533 -12.353 1.00 65.22 C ATOM 1638 CG GLU A 97 4.981 -5.856 -11.812 1.00 55.53 C ATOM 1639 CD GLU A 97 5.789 -7.042 -12.340 1.00 44.43 C ATOM 1640 OE1 GLU A 97 6.688 -7.538 -11.643 1.00 63.43 O ATOM 1641 OE2 GLU A 97 5.456 -7.450 -13.518 1.00 70.13 O ATOM 0 H GLU A 97 5.394 -3.525 -9.780 1.00 32.44 H new ATOM 0 HA GLU A 97 4.785 -2.544 -12.511 1.00 2.21 H new ATOM 0 HB2 GLU A 97 5.453 -4.522 -13.440 1.00 65.22 H new ATOM 0 HB3 GLU A 97 6.587 -4.445 -12.106 1.00 65.22 H new ATOM 0 HG2 GLU A 97 5.011 -5.847 -10.722 1.00 55.53 H new ATOM 0 HG3 GLU A 97 3.936 -5.966 -12.101 1.00 55.53 H new ATOM 1649 N HIS A 98 2.932 -3.622 -10.230 1.00 3.52 N ATOM 1650 CA HIS A 98 1.572 -3.939 -9.824 1.00 21.22 C ATOM 1651 C HIS A 98 0.976 -2.759 -9.056 1.00 61.24 C ATOM 1652 O HIS A 98 -0.073 -2.888 -8.427 1.00 1.42 O ATOM 1653 CB HIS A 98 1.534 -5.244 -9.028 1.00 32.21 C ATOM 1654 CG HIS A 98 1.720 -6.484 -9.872 1.00 32.35 C ATOM 1655 ND1 HIS A 98 1.291 -6.569 -11.184 1.00 41.32 N ATOM 1656 CD2 HIS A 98 2.294 -7.685 -9.575 1.00 62.03 C ATOM 1657 CE1 HIS A 98 1.597 -7.773 -11.647 1.00 52.14 C ATOM 1658 NE2 HIS A 98 2.219 -8.462 -10.649 1.00 24.24 N ATOM 0 H HIS A 98 3.548 -3.335 -9.469 1.00 3.52 H new ATOM 0 HA HIS A 98 0.954 -4.101 -10.707 1.00 21.22 H new ATOM 0 HB2 HIS A 98 2.313 -5.216 -8.266 1.00 32.21 H new ATOM 0 HB3 HIS A 98 0.579 -5.312 -8.506 1.00 32.21 H new ATOM 0 HD2 HIS A 98 2.735 -7.958 -8.627 1.00 62.03 H new ATOM 0 HE1 HIS A 98 1.390 -8.143 -12.640 1.00 52.14 H new ATOM 0 HE2 HIS A 98 2.569 -9.418 -10.716 1.00 24.24 H new ATOM 1667 N LYS A 99 1.671 -1.632 -9.133 1.00 12.51 N ATOM 1668 CA LYS A 99 1.224 -0.430 -8.452 1.00 13.43 C ATOM 1669 C LYS A 99 -0.092 0.044 -9.073 1.00 32.40 C ATOM 1670 O LYS A 99 -0.483 -0.426 -10.141 1.00 3.15 O ATOM 1671 CB LYS A 99 2.326 0.632 -8.462 1.00 4.34 C ATOM 1672 CG LYS A 99 2.629 1.095 -9.887 1.00 4.14 C ATOM 1673 CD LYS A 99 2.267 2.570 -10.074 1.00 12.25 C ATOM 1674 CE LYS A 99 1.819 2.846 -11.511 1.00 60.42 C ATOM 1675 NZ LYS A 99 0.635 3.734 -11.523 1.00 53.51 N ATOM 0 H LYS A 99 2.540 -1.527 -9.657 1.00 12.51 H new ATOM 0 HA LYS A 99 1.024 -0.640 -7.401 1.00 13.43 H new ATOM 0 HB2 LYS A 99 2.019 1.485 -7.856 1.00 4.34 H new ATOM 0 HB3 LYS A 99 3.230 0.227 -8.008 1.00 4.34 H new ATOM 0 HG2 LYS A 99 3.687 0.946 -10.104 1.00 4.14 H new ATOM 0 HG3 LYS A 99 2.069 0.487 -10.597 1.00 4.14 H new ATOM 0 HD2 LYS A 99 1.470 2.843 -9.382 1.00 12.25 H new ATOM 0 HD3 LYS A 99 3.128 3.193 -9.831 1.00 12.25 H new ATOM 0 HE2 LYS A 99 2.633 3.308 -12.070 1.00 60.42 H new ATOM 0 HE3 LYS A 99 1.582 1.907 -12.011 1.00 60.42 H new ATOM 0 HZ1 LYS A 99 0.344 3.911 -12.506 1.00 53.51 H new ATOM 0 HZ2 LYS A 99 -0.145 3.279 -11.007 1.00 53.51 H new ATOM 0 HZ3 LYS A 99 0.873 4.636 -11.064 1.00 53.51 H new ATOM 1689 N ASP A 100 -0.738 0.970 -8.379 1.00 41.20 N ATOM 1690 CA ASP A 100 -2.001 1.512 -8.851 1.00 31.41 C ATOM 1691 C ASP A 100 -2.017 3.026 -8.625 1.00 24.34 C ATOM 1692 O ASP A 100 -1.067 3.585 -8.080 1.00 10.10 O ATOM 1693 CB ASP A 100 -3.179 0.907 -8.084 1.00 64.51 C ATOM 1694 CG ASP A 100 -4.484 0.808 -8.877 1.00 34.41 C ATOM 1695 OD1 ASP A 100 -5.402 1.622 -8.701 1.00 4.35 O ATOM 1696 OD2 ASP A 100 -4.537 -0.170 -9.718 1.00 2.43 O ATOM 0 H ASP A 100 -0.411 1.358 -7.494 1.00 41.20 H new ATOM 0 HA ASP A 100 -2.098 1.272 -9.910 1.00 31.41 H new ATOM 0 HB2 ASP A 100 -2.900 -0.091 -7.747 1.00 64.51 H new ATOM 0 HB3 ASP A 100 -3.358 1.506 -7.191 1.00 64.51 H new ATOM 1702 N LYS A 101 -3.107 3.643 -9.056 1.00 74.24 N ATOM 1703 CA LYS A 101 -3.259 5.081 -8.908 1.00 45.13 C ATOM 1704 C LYS A 101 -2.990 5.471 -7.454 1.00 14.41 C ATOM 1705 O LYS A 101 -2.110 6.285 -7.179 1.00 44.44 O ATOM 1706 CB LYS A 101 -4.628 5.531 -9.421 1.00 61.03 C ATOM 1707 CG LYS A 101 -4.687 5.474 -10.949 1.00 1.14 C ATOM 1708 CD LYS A 101 -3.992 6.687 -11.570 1.00 13.14 C ATOM 1709 CE LYS A 101 -4.952 7.873 -11.679 1.00 51.00 C ATOM 1710 NZ LYS A 101 -4.405 8.901 -12.591 1.00 33.55 N ATOM 0 H LYS A 101 -3.893 3.175 -9.507 1.00 74.24 H new ATOM 0 HA LYS A 101 -2.526 5.606 -9.521 1.00 45.13 H new ATOM 0 HB2 LYS A 101 -5.406 4.894 -9.000 1.00 61.03 H new ATOM 0 HB3 LYS A 101 -4.831 6.547 -9.083 1.00 61.03 H new ATOM 0 HG2 LYS A 101 -4.212 4.558 -11.301 1.00 1.14 H new ATOM 0 HG3 LYS A 101 -5.726 5.439 -11.275 1.00 1.14 H new ATOM 0 HD2 LYS A 101 -3.130 6.967 -10.964 1.00 13.14 H new ATOM 0 HD3 LYS A 101 -3.615 6.428 -12.559 1.00 13.14 H new ATOM 0 HE2 LYS A 101 -5.920 7.532 -12.045 1.00 51.00 H new ATOM 0 HE3 LYS A 101 -5.119 8.305 -10.692 1.00 51.00 H new ATOM 0 HZ1 LYS A 101 -5.069 9.699 -12.653 1.00 33.55 H new ATOM 0 HZ2 LYS A 101 -3.492 9.239 -12.226 1.00 33.55 H new ATOM 0 HZ3 LYS A 101 -4.269 8.489 -13.536 1.00 33.55 H new ATOM 1724 N ASP A 102 -3.764 4.872 -6.561 1.00 24.54 N ATOM 1725 CA ASP A 102 -3.619 5.148 -5.141 1.00 44.11 C ATOM 1726 C ASP A 102 -2.133 5.145 -4.773 1.00 52.35 C ATOM 1727 O ASP A 102 -1.723 5.821 -3.831 1.00 42.15 O ATOM 1728 CB ASP A 102 -4.316 4.076 -4.299 1.00 5.45 C ATOM 1729 CG ASP A 102 -4.221 2.653 -4.855 1.00 13.43 C ATOM 1730 OD1 ASP A 102 -3.373 1.856 -4.425 1.00 41.40 O ATOM 1731 OD2 ASP A 102 -5.074 2.371 -5.779 1.00 40.41 O ATOM 0 H ASP A 102 -4.493 4.197 -6.792 1.00 24.54 H new ATOM 0 HA ASP A 102 -4.071 6.119 -4.938 1.00 44.11 H new ATOM 0 HB2 ASP A 102 -3.888 4.088 -3.297 1.00 5.45 H new ATOM 0 HB3 ASP A 102 -5.368 4.341 -4.199 1.00 5.45 H new ATOM 1737 N GLY A 103 -1.370 4.379 -5.538 1.00 12.34 N ATOM 1738 CA GLY A 103 0.061 4.281 -5.304 1.00 1.51 C ATOM 1739 C GLY A 103 0.391 3.072 -4.424 1.00 42.14 C ATOM 1740 O GLY A 103 1.559 2.722 -4.257 1.00 30.21 O ATOM 0 H GLY A 103 -1.715 3.821 -6.319 1.00 12.34 H new ATOM 0 HA2 GLY A 103 0.584 4.196 -6.257 1.00 1.51 H new ATOM 0 HA3 GLY A 103 0.418 5.193 -4.825 1.00 1.51 H new ATOM 1744 N PHE A 104 -0.657 2.468 -3.885 1.00 53.45 N ATOM 1745 CA PHE A 104 -0.494 1.308 -3.028 1.00 12.24 C ATOM 1746 C PHE A 104 -0.545 0.013 -3.842 1.00 72.13 C ATOM 1747 O PHE A 104 -0.964 0.019 -4.998 1.00 71.15 O ATOM 1748 CB PHE A 104 -1.657 1.319 -2.033 1.00 72.42 C ATOM 1749 CG PHE A 104 -1.275 1.813 -0.636 1.00 64.25 C ATOM 1750 CD1 PHE A 104 -1.221 3.147 -0.378 1.00 73.23 C ATOM 1751 CD2 PHE A 104 -0.993 0.917 0.348 1.00 30.24 C ATOM 1752 CE1 PHE A 104 -0.869 3.605 0.919 1.00 34.41 C ATOM 1753 CE2 PHE A 104 -0.640 1.375 1.644 1.00 70.41 C ATOM 1754 CZ PHE A 104 -0.585 2.709 1.903 1.00 62.30 C ATOM 0 H PHE A 104 -1.624 2.761 -4.026 1.00 53.45 H new ATOM 0 HA PHE A 104 0.472 1.350 -2.524 1.00 12.24 H new ATOM 0 HB2 PHE A 104 -2.452 1.952 -2.426 1.00 72.42 H new ATOM 0 HB3 PHE A 104 -2.063 0.310 -1.952 1.00 72.42 H new ATOM 0 HD1 PHE A 104 -1.446 3.858 -1.159 1.00 73.23 H new ATOM 0 HD2 PHE A 104 -1.038 -0.142 0.143 1.00 30.24 H new ATOM 0 HE1 PHE A 104 -0.827 4.664 1.125 1.00 34.41 H new ATOM 0 HE2 PHE A 104 -0.415 0.664 2.425 1.00 70.41 H new ATOM 0 HZ PHE A 104 -0.316 3.057 2.889 1.00 62.30 H new ATOM 1764 N LEU A 105 -0.114 -1.065 -3.204 1.00 64.23 N ATOM 1765 CA LEU A 105 -0.105 -2.365 -3.855 1.00 0.04 C ATOM 1766 C LEU A 105 -1.324 -3.169 -3.395 1.00 11.52 C ATOM 1767 O LEU A 105 -1.923 -2.860 -2.365 1.00 74.42 O ATOM 1768 CB LEU A 105 1.227 -3.078 -3.612 1.00 42.33 C ATOM 1769 CG LEU A 105 2.073 -3.358 -4.857 1.00 21.41 C ATOM 1770 CD1 LEU A 105 1.576 -4.608 -5.586 1.00 42.30 C ATOM 1771 CD2 LEU A 105 2.118 -2.137 -5.776 1.00 71.12 C ATOM 0 H LEU A 105 0.231 -1.066 -2.244 1.00 64.23 H new ATOM 0 HA LEU A 105 -0.186 -2.249 -4.936 1.00 0.04 H new ATOM 0 HB2 LEU A 105 1.819 -2.476 -2.922 1.00 42.33 H new ATOM 0 HB3 LEU A 105 1.024 -4.026 -3.114 1.00 42.33 H new ATOM 0 HG LEU A 105 3.096 -3.557 -4.538 1.00 21.41 H new ATOM 0 HD11 LEU A 105 2.193 -4.785 -6.467 1.00 42.30 H new ATOM 0 HD12 LEU A 105 1.640 -5.468 -4.919 1.00 42.30 H new ATOM 0 HD13 LEU A 105 0.540 -4.463 -5.892 1.00 42.30 H new ATOM 0 HD21 LEU A 105 2.725 -2.363 -6.652 1.00 71.12 H new ATOM 0 HD22 LEU A 105 1.106 -1.882 -6.092 1.00 71.12 H new ATOM 0 HD23 LEU A 105 2.554 -1.294 -5.240 1.00 71.12 H new ATOM 1783 N TYR A 106 -1.656 -4.182 -4.182 1.00 53.40 N ATOM 1784 CA TYR A 106 -2.793 -5.030 -3.868 1.00 42.31 C ATOM 1785 C TYR A 106 -2.525 -6.480 -4.281 1.00 52.24 C ATOM 1786 O TYR A 106 -2.767 -6.856 -5.427 1.00 34.34 O ATOM 1787 CB TYR A 106 -3.965 -4.486 -4.689 1.00 64.40 C ATOM 1788 CG TYR A 106 -4.506 -3.147 -4.188 1.00 62.10 C ATOM 1789 CD1 TYR A 106 -5.201 -3.086 -2.997 1.00 34.43 C ATOM 1790 CD2 TYR A 106 -4.300 -2.000 -4.926 1.00 44.43 C ATOM 1791 CE1 TYR A 106 -5.711 -1.824 -2.526 1.00 3.33 C ATOM 1792 CE2 TYR A 106 -4.810 -0.738 -4.454 1.00 41.03 C ATOM 1793 CZ TYR A 106 -5.490 -0.712 -3.276 1.00 45.15 C ATOM 1794 OH TYR A 106 -5.972 0.478 -2.830 1.00 44.34 O ATOM 0 H TYR A 106 -1.158 -4.434 -5.036 1.00 53.40 H new ATOM 0 HA TYR A 106 -2.994 -5.022 -2.797 1.00 42.31 H new ATOM 0 HB2 TYR A 106 -3.648 -4.373 -5.726 1.00 64.40 H new ATOM 0 HB3 TYR A 106 -4.772 -5.218 -4.681 1.00 64.40 H new ATOM 0 HD1 TYR A 106 -5.362 -3.984 -2.419 1.00 34.43 H new ATOM 0 HD2 TYR A 106 -3.756 -2.048 -5.858 1.00 44.43 H new ATOM 0 HE1 TYR A 106 -6.258 -1.762 -1.597 1.00 3.33 H new ATOM 0 HE2 TYR A 106 -4.656 0.167 -5.023 1.00 41.03 H new ATOM 0 HH TYR A 106 -6.468 0.921 -3.550 1.00 44.34 H new ATOM 1804 N VAL A 107 -2.030 -7.252 -3.326 1.00 22.34 N ATOM 1805 CA VAL A 107 -1.728 -8.652 -3.577 1.00 40.22 C ATOM 1806 C VAL A 107 -2.830 -9.523 -2.972 1.00 71.32 C ATOM 1807 O VAL A 107 -3.715 -9.021 -2.281 1.00 62.14 O ATOM 1808 CB VAL A 107 -0.335 -8.990 -3.040 1.00 15.44 C ATOM 1809 CG1 VAL A 107 -0.310 -8.943 -1.510 1.00 53.13 C ATOM 1810 CG2 VAL A 107 0.136 -10.350 -3.555 1.00 51.41 C ATOM 0 H VAL A 107 -1.830 -6.936 -2.377 1.00 22.34 H new ATOM 0 HA VAL A 107 -1.707 -8.853 -4.648 1.00 40.22 H new ATOM 0 HB VAL A 107 0.358 -8.234 -3.409 1.00 15.44 H new ATOM 0 HG11 VAL A 107 0.691 -9.187 -1.155 1.00 53.13 H new ATOM 0 HG12 VAL A 107 -0.581 -7.943 -1.172 1.00 53.13 H new ATOM 0 HG13 VAL A 107 -1.022 -9.666 -1.112 1.00 53.13 H new ATOM 0 HG21 VAL A 107 1.128 -10.566 -3.158 1.00 51.41 H new ATOM 0 HG22 VAL A 107 -0.560 -11.123 -3.230 1.00 51.41 H new ATOM 0 HG23 VAL A 107 0.177 -10.332 -4.644 1.00 51.41 H new ATOM 1820 N THR A 108 -2.737 -10.815 -3.251 1.00 21.14 N ATOM 1821 CA THR A 108 -3.717 -11.762 -2.742 1.00 55.41 C ATOM 1822 C THR A 108 -3.060 -13.118 -2.481 1.00 62.50 C ATOM 1823 O THR A 108 -2.084 -13.478 -3.139 1.00 11.44 O ATOM 1824 CB THR A 108 -4.873 -11.830 -3.742 1.00 74.21 C ATOM 1825 OG1 THR A 108 -4.795 -10.594 -4.448 1.00 40.54 O ATOM 1826 CG2 THR A 108 -6.241 -11.782 -3.058 1.00 22.42 C ATOM 0 H THR A 108 -2.000 -11.229 -3.822 1.00 21.14 H new ATOM 0 HA THR A 108 -4.118 -11.439 -1.781 1.00 55.41 H new ATOM 0 HB THR A 108 -4.792 -12.745 -4.329 1.00 74.21 H new ATOM 0 HG1 THR A 108 -4.183 -10.689 -5.207 1.00 40.54 H new ATOM 0 HG21 THR A 108 -7.027 -11.833 -3.812 1.00 22.42 H new ATOM 0 HG22 THR A 108 -6.337 -12.627 -2.376 1.00 22.42 H new ATOM 0 HG23 THR A 108 -6.335 -10.851 -2.498 1.00 22.42 H new ATOM 1834 N TYR A 109 -3.620 -13.836 -1.517 1.00 43.11 N ATOM 1835 CA TYR A 109 -3.101 -15.145 -1.160 1.00 32.00 C ATOM 1836 C TYR A 109 -4.237 -16.150 -0.965 1.00 31.13 C ATOM 1837 O TYR A 109 -5.211 -15.865 -0.272 1.00 1.41 O ATOM 1838 CB TYR A 109 -2.366 -14.960 0.169 1.00 63.54 C ATOM 1839 CG TYR A 109 -3.290 -14.701 1.360 1.00 53.43 C ATOM 1840 CD1 TYR A 109 -3.688 -13.413 1.658 1.00 21.34 C ATOM 1841 CD2 TYR A 109 -3.730 -15.755 2.134 1.00 61.31 C ATOM 1842 CE1 TYR A 109 -4.558 -13.170 2.779 1.00 12.40 C ATOM 1843 CE2 TYR A 109 -4.600 -15.511 3.255 1.00 51.34 C ATOM 1844 CZ TYR A 109 -4.971 -14.232 3.523 1.00 12.31 C ATOM 1845 OH TYR A 109 -5.793 -14.001 4.581 1.00 35.34 O ATOM 0 H TYR A 109 -4.428 -13.535 -0.973 1.00 43.11 H new ATOM 0 HA TYR A 109 -2.451 -15.528 -1.947 1.00 32.00 H new ATOM 0 HB2 TYR A 109 -1.771 -15.851 0.371 1.00 63.54 H new ATOM 0 HB3 TYR A 109 -1.670 -14.127 0.074 1.00 63.54 H new ATOM 0 HD1 TYR A 109 -3.347 -12.588 1.050 1.00 21.34 H new ATOM 0 HD2 TYR A 109 -3.422 -16.763 1.899 1.00 61.31 H new ATOM 0 HE1 TYR A 109 -4.876 -12.167 3.024 1.00 12.40 H new ATOM 0 HE2 TYR A 109 -4.950 -16.327 3.870 1.00 51.34 H new ATOM 0 HH TYR A 109 -6.008 -14.850 5.020 1.00 35.34 H new ATOM 1855 N SER A 110 -4.073 -17.308 -1.590 1.00 65.21 N ATOM 1856 CA SER A 110 -5.074 -18.358 -1.495 1.00 13.24 C ATOM 1857 C SER A 110 -4.399 -19.697 -1.191 1.00 41.23 C ATOM 1858 O SER A 110 -3.240 -19.907 -1.546 1.00 40.25 O ATOM 1859 CB SER A 110 -5.894 -18.456 -2.781 1.00 42.53 C ATOM 1860 OG SER A 110 -6.841 -19.520 -2.732 1.00 73.50 O ATOM 0 H SER A 110 -3.263 -17.542 -2.164 1.00 65.21 H new ATOM 0 HA SER A 110 -5.755 -18.109 -0.682 1.00 13.24 H new ATOM 0 HB2 SER A 110 -6.416 -17.514 -2.951 1.00 42.53 H new ATOM 0 HB3 SER A 110 -5.224 -18.606 -3.627 1.00 42.53 H new ATOM 0 HG SER A 110 -7.543 -19.364 -3.398 1.00 73.50 H new ATOM 1866 N GLY A 111 -5.153 -20.569 -0.538 1.00 54.34 N ATOM 1867 CA GLY A 111 -4.642 -21.882 -0.182 1.00 10.15 C ATOM 1868 C GLY A 111 -4.678 -22.828 -1.385 1.00 11.13 C ATOM 1869 O GLY A 111 -4.353 -24.007 -1.260 1.00 34.05 O ATOM 0 H GLY A 111 -6.114 -20.392 -0.246 1.00 54.34 H new ATOM 0 HA2 GLY A 111 -3.619 -21.791 0.184 1.00 10.15 H new ATOM 0 HA3 GLY A 111 -5.236 -22.299 0.631 1.00 10.15 H new ATOM 1873 N GLU A 112 -5.075 -22.274 -2.521 1.00 51.04 N ATOM 1874 CA GLU A 112 -5.158 -23.053 -3.745 1.00 65.25 C ATOM 1875 C GLU A 112 -4.356 -22.378 -4.859 1.00 62.14 C ATOM 1876 O GLU A 112 -4.586 -21.212 -5.175 1.00 15.24 O ATOM 1877 CB GLU A 112 -6.614 -23.262 -4.165 1.00 35.22 C ATOM 1878 CG GLU A 112 -7.185 -21.997 -4.810 1.00 43.23 C ATOM 1879 CD GLU A 112 -8.697 -21.910 -4.601 1.00 13.11 C ATOM 1880 OE1 GLU A 112 -9.447 -21.709 -5.569 1.00 1.43 O ATOM 1881 OE2 GLU A 112 -9.089 -22.059 -3.381 1.00 41.42 O ATOM 0 H GLU A 112 -5.343 -21.295 -2.620 1.00 51.04 H new ATOM 0 HA GLU A 112 -4.725 -24.036 -3.557 1.00 65.25 H new ATOM 0 HB2 GLU A 112 -6.678 -24.093 -4.867 1.00 35.22 H new ATOM 0 HB3 GLU A 112 -7.212 -23.533 -3.295 1.00 35.22 H new ATOM 0 HG2 GLU A 112 -6.704 -21.117 -4.382 1.00 43.23 H new ATOM 0 HG3 GLU A 112 -6.961 -21.996 -5.877 1.00 43.23 H new ATOM 1889 N ASN A 113 -3.432 -23.140 -5.425 1.00 71.13 N ATOM 1890 CA ASN A 113 -2.596 -22.630 -6.498 1.00 34.31 C ATOM 1891 C ASN A 113 -3.277 -22.898 -7.842 1.00 20.23 C ATOM 1892 O ASN A 113 -2.657 -23.429 -8.761 1.00 34.14 O ATOM 1893 CB ASN A 113 -1.233 -23.325 -6.512 1.00 45.03 C ATOM 1894 CG ASN A 113 -0.347 -22.774 -7.632 1.00 12.10 C ATOM 1895 OD1 ASN A 113 -0.771 -21.985 -8.461 1.00 30.35 O ATOM 1896 ND2 ASN A 113 0.902 -23.230 -7.607 1.00 31.33 N ATOM 0 H ASN A 113 -3.244 -24.107 -5.161 1.00 71.13 H new ATOM 0 HA ASN A 113 -2.455 -21.561 -6.336 1.00 34.31 H new ATOM 0 HB2 ASN A 113 -0.739 -23.184 -5.550 1.00 45.03 H new ATOM 0 HB3 ASN A 113 -1.369 -24.398 -6.646 1.00 45.03 H new ATOM 0 HD21 ASN A 113 1.572 -22.920 -8.311 1.00 31.33 H new ATOM 0 HD22 ASN A 113 1.190 -23.889 -6.884 1.00 31.33 H new ATOM 2441 N ILE B 629 4.652 -7.527 9.092 1.00 24.41 N ATOM 2442 CA ILE B 629 4.027 -7.587 7.782 1.00 43.42 C ATOM 2443 C ILE B 629 5.112 -7.716 6.709 1.00 31.11 C ATOM 2444 O ILE B 629 4.934 -7.256 5.583 1.00 23.45 O ATOM 2445 CB ILE B 629 3.099 -6.388 7.576 1.00 50.14 C ATOM 2446 CG1 ILE B 629 3.776 -5.089 8.014 1.00 52.51 C ATOM 2447 CG2 ILE B 629 1.760 -6.604 8.284 1.00 41.43 C ATOM 2448 CD1 ILE B 629 5.173 -4.966 7.403 1.00 61.41 C ATOM 0 HA ILE B 629 3.393 -8.470 7.703 1.00 43.42 H new ATOM 0 HB ILE B 629 2.889 -6.297 6.510 1.00 50.14 H new ATOM 0 HG12 ILE B 629 3.167 -4.237 7.712 1.00 52.51 H new ATOM 0 HG13 ILE B 629 3.847 -5.060 9.101 1.00 52.51 H new ATOM 0 HG21 ILE B 629 1.119 -5.738 8.122 1.00 41.43 H new ATOM 0 HG22 ILE B 629 1.276 -7.494 7.882 1.00 41.43 H new ATOM 0 HG23 ILE B 629 1.930 -6.735 9.353 1.00 41.43 H new ATOM 0 HD11 ILE B 629 5.633 -4.033 7.730 1.00 61.41 H new ATOM 0 HD12 ILE B 629 5.787 -5.806 7.727 1.00 61.41 H new ATOM 0 HD13 ILE B 629 5.096 -4.970 6.316 1.00 61.41 H new ATOM 2460 N ALA B 630 6.211 -8.345 7.098 1.00 41.41 N ATOM 2461 CA ALA B 630 7.324 -8.540 6.185 1.00 34.31 C ATOM 2462 C ALA B 630 8.422 -9.339 6.891 1.00 73.25 C ATOM 2463 O ALA B 630 8.167 -10.001 7.895 1.00 11.20 O ATOM 2464 CB ALA B 630 7.821 -7.181 5.686 1.00 15.34 C ATOM 0 H ALA B 630 6.354 -8.726 8.033 1.00 41.41 H new ATOM 0 HA ALA B 630 7.009 -9.112 5.312 1.00 34.31 H new ATOM 0 HB1 ALA B 630 8.656 -7.328 5.001 1.00 15.34 H new ATOM 0 HB2 ALA B 630 7.012 -6.666 5.167 1.00 15.34 H new ATOM 0 HB3 ALA B 630 8.149 -6.580 6.534 1.00 15.34 H new