USER MOD reduce.3.24.130724 H: found=0, std=0, add=1062, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1061 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 113 CYS SG : rot 180:sc= -1.14 USER MOD Set 1.2: A 114 SER OG : rot 180:sc= 0.0324 USER MOD Set 1.3: A 117 THR OG1 : rot 90:sc= 0.0213 USER MOD Set 2.1: A 79 MET CE :methyl 155:sc= -0.199 (180deg=-0.843) USER MOD Set 2.2: A 89 HIS : no HE2:sc= -1.26 X(o=-1.5,f=-1.6) USER MOD Set 3.1: A 87 THR OG1 : rot -101:sc= -0.965 USER MOD Set 3.2: A 88 ASN : amide:sc= -0.163 X(o=-1.1,f=-1.2) USER MOD Set 4.1: A 31 HIS : no HD1:sc= -5.49! C(o=-7.7!,f=-6.3!) USER MOD Set 4.2: A 33 GLN : amide:sc= -2.17 K(o=-7.7,f=-3.8) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 63:sc= 0.521 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HE2:sc= 0.222 K(o=0.22,f=-1.7) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -170:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -0.189 K(o=-0.19,f=-2.8) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.676 USER MOD Single : A 57 THR OG1 : rot 2:sc= 0.365 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 108:sc= 0.0688 USER MOD Single : A 78 THR OG1 : rot 78:sc= 1.16 USER MOD Single : A 102 HIS : no HE2:sc= 0.279 K(o=0.28,f=-0.96) USER MOD Single : A 103 CYS SG : rot -87:sc= -3.33! USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.0971 USER MOD Single : A 110 MET CE :methyl 174:sc= 0 (180deg=-0.0664) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 135 ASN : amide:sc= -0.0793 K(o=-0.079,f=-0.94) USER MOD Single : A 141 TYR OH : rot 30:sc= -0.439 USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 -3.252 13.940 9.627 1.00 51.23 N ATOM 21 CA ALA A 2 -2.183 13.775 8.605 1.00 0.14 C ATOM 22 C ALA A 2 -1.821 12.268 8.421 1.00 75.33 C ATOM 23 O ALA A 2 -0.836 11.919 7.757 1.00 43.13 O ATOM 24 CB ALA A 2 -0.952 14.612 8.998 1.00 41.44 C ATOM 0 HA ALA A 2 -2.548 14.138 7.644 1.00 0.14 H new ATOM 0 HB1 ALA A 2 -0.172 14.488 8.246 1.00 41.44 H new ATOM 0 HB2 ALA A 2 -1.232 15.664 9.060 1.00 41.44 H new ATOM 0 HB3 ALA A 2 -0.579 14.278 9.966 1.00 41.44 H new ATOM 30 N THR A 3 -2.658 11.388 9.014 1.00 53.51 N ATOM 31 CA THR A 3 -2.560 9.923 8.888 1.00 63.43 C ATOM 32 C THR A 3 -3.811 9.388 8.153 1.00 12.22 C ATOM 33 O THR A 3 -4.941 9.536 8.630 1.00 12.34 O ATOM 34 CB THR A 3 -2.422 9.227 10.289 1.00 64.43 C ATOM 35 OG1 THR A 3 -1.240 9.713 10.957 1.00 22.43 O ATOM 36 CG2 THR A 3 -2.343 7.686 10.175 1.00 71.34 C ATOM 0 H THR A 3 -3.435 11.686 9.604 1.00 53.51 H new ATOM 0 HA THR A 3 -1.662 9.689 8.315 1.00 63.43 H new ATOM 0 HB THR A 3 -3.316 9.473 10.863 1.00 64.43 H new ATOM 0 HG1 THR A 3 -1.157 9.279 11.832 1.00 22.43 H new ATOM 0 HG21 THR A 3 -2.248 7.252 11.170 1.00 71.34 H new ATOM 0 HG22 THR A 3 -3.249 7.309 9.700 1.00 71.34 H new ATOM 0 HG23 THR A 3 -1.476 7.410 9.575 1.00 71.34 H new ATOM 44 N LEU A 4 -3.583 8.776 6.987 1.00 11.13 N ATOM 45 CA LEU A 4 -4.641 8.240 6.098 1.00 3.44 C ATOM 46 C LEU A 4 -4.833 6.733 6.359 1.00 24.23 C ATOM 47 O LEU A 4 -3.864 6.038 6.633 1.00 21.01 O ATOM 48 CB LEU A 4 -4.242 8.467 4.606 1.00 22.22 C ATOM 49 CG LEU A 4 -4.485 9.891 4.001 1.00 0.20 C ATOM 50 CD1 LEU A 4 -3.879 11.015 4.859 1.00 0.03 C ATOM 51 CD2 LEU A 4 -3.945 9.963 2.558 1.00 63.13 C ATOM 0 H LEU A 4 -2.642 8.632 6.619 1.00 11.13 H new ATOM 0 HA LEU A 4 -5.576 8.761 6.305 1.00 3.44 H new ATOM 0 HB2 LEU A 4 -3.182 8.234 4.502 1.00 22.22 H new ATOM 0 HB3 LEU A 4 -4.788 7.746 3.998 1.00 22.22 H new ATOM 0 HG LEU A 4 -5.563 10.049 3.991 1.00 0.20 H new ATOM 0 HD11 LEU A 4 -4.079 11.979 4.390 1.00 0.03 H new ATOM 0 HD12 LEU A 4 -4.326 10.995 5.853 1.00 0.03 H new ATOM 0 HD13 LEU A 4 -2.802 10.869 4.943 1.00 0.03 H new ATOM 0 HD21 LEU A 4 -4.122 10.959 2.153 1.00 63.13 H new ATOM 0 HD22 LEU A 4 -2.875 9.757 2.559 1.00 63.13 H new ATOM 0 HD23 LEU A 4 -4.456 9.224 1.941 1.00 63.13 H new ATOM 63 N ARG A 5 -6.077 6.230 6.284 1.00 32.34 N ATOM 64 CA ARG A 5 -6.349 4.770 6.347 1.00 1.32 C ATOM 65 C ARG A 5 -7.519 4.362 5.417 1.00 33.23 C ATOM 66 O ARG A 5 -8.564 5.017 5.378 1.00 11.42 O ATOM 67 CB ARG A 5 -6.649 4.319 7.806 1.00 73.21 C ATOM 68 CG ARG A 5 -6.968 2.809 7.948 1.00 21.24 C ATOM 69 CD ARG A 5 -7.260 2.378 9.395 1.00 42.11 C ATOM 70 NE ARG A 5 -6.097 2.551 10.282 1.00 11.42 N ATOM 71 CZ ARG A 5 -5.927 1.955 11.442 1.00 31.22 C ATOM 72 NH1 ARG A 5 -6.800 1.111 11.908 1.00 31.55 N ATOM 73 NH2 ARG A 5 -4.868 2.217 12.135 1.00 54.21 N ATOM 0 H ARG A 5 -6.913 6.805 6.180 1.00 32.34 H new ATOM 0 HA ARG A 5 -5.448 4.265 6.000 1.00 1.32 H new ATOM 0 HB2 ARG A 5 -5.790 4.559 8.433 1.00 73.21 H new ATOM 0 HB3 ARG A 5 -7.492 4.895 8.187 1.00 73.21 H new ATOM 0 HG2 ARG A 5 -7.829 2.567 7.324 1.00 21.24 H new ATOM 0 HG3 ARG A 5 -6.126 2.230 7.568 1.00 21.24 H new ATOM 0 HD2 ARG A 5 -8.097 2.959 9.782 1.00 42.11 H new ATOM 0 HD3 ARG A 5 -7.567 1.332 9.404 1.00 42.11 H new ATOM 0 HE ARG A 5 -5.362 3.186 9.971 1.00 11.42 H new ATOM 0 HH11 ARG A 5 -7.640 0.898 11.371 1.00 31.55 H new ATOM 0 HH12 ARG A 5 -6.644 0.662 12.811 1.00 31.55 H new ATOM 0 HH21 ARG A 5 -4.177 2.879 11.781 1.00 54.21 H new ATOM 0 HH22 ARG A 5 -4.723 1.762 13.036 1.00 54.21 H new ATOM 87 N ARG A 6 -7.312 3.260 4.678 1.00 41.30 N ATOM 88 CA ARG A 6 -8.328 2.608 3.826 1.00 60.13 C ATOM 89 C ARG A 6 -8.335 1.092 4.122 1.00 3.41 C ATOM 90 O ARG A 6 -7.338 0.547 4.597 1.00 3.02 O ATOM 91 CB ARG A 6 -8.027 2.859 2.317 1.00 73.12 C ATOM 92 CG ARG A 6 -8.147 4.327 1.861 1.00 61.00 C ATOM 93 CD ARG A 6 -9.581 4.875 1.989 1.00 34.31 C ATOM 94 NE ARG A 6 -9.692 6.288 1.577 1.00 64.44 N ATOM 95 CZ ARG A 6 -9.473 7.330 2.355 1.00 62.14 C ATOM 96 NH1 ARG A 6 -9.082 7.193 3.586 1.00 35.14 N ATOM 97 NH2 ARG A 6 -9.648 8.516 1.887 1.00 30.31 N ATOM 0 H ARG A 6 -6.411 2.783 4.654 1.00 41.30 H new ATOM 0 HA ARG A 6 -9.307 3.032 4.049 1.00 60.13 H new ATOM 0 HB2 ARG A 6 -7.018 2.509 2.101 1.00 73.12 H new ATOM 0 HB3 ARG A 6 -8.709 2.253 1.721 1.00 73.12 H new ATOM 0 HG2 ARG A 6 -7.473 4.944 2.455 1.00 61.00 H new ATOM 0 HG3 ARG A 6 -7.823 4.408 0.824 1.00 61.00 H new ATOM 0 HD2 ARG A 6 -10.252 4.270 1.380 1.00 34.31 H new ATOM 0 HD3 ARG A 6 -9.912 4.776 3.023 1.00 34.31 H new ATOM 0 HE ARG A 6 -9.960 6.474 0.611 1.00 64.44 H new ATOM 0 HH11 ARG A 6 -8.937 6.261 3.974 1.00 35.14 H new ATOM 0 HH12 ARG A 6 -8.920 8.017 4.165 1.00 35.14 H new ATOM 0 HH21 ARG A 6 -9.953 8.644 0.922 1.00 30.31 H new ATOM 0 HH22 ARG A 6 -9.481 9.328 2.481 1.00 30.31 H new ATOM 111 N SER A 7 -9.462 0.429 3.843 1.00 50.01 N ATOM 112 CA SER A 7 -9.617 -1.038 4.015 1.00 75.23 C ATOM 113 C SER A 7 -10.525 -1.616 2.916 1.00 44.34 C ATOM 114 O SER A 7 -11.340 -0.890 2.331 1.00 25.33 O ATOM 115 CB SER A 7 -10.200 -1.361 5.409 1.00 60.25 C ATOM 116 OG SER A 7 -11.512 -0.829 5.565 1.00 12.24 O ATOM 0 H SER A 7 -10.302 0.887 3.489 1.00 50.01 H new ATOM 0 HA SER A 7 -8.632 -1.498 3.933 1.00 75.23 H new ATOM 0 HB2 SER A 7 -10.226 -2.441 5.552 1.00 60.25 H new ATOM 0 HB3 SER A 7 -9.547 -0.953 6.181 1.00 60.25 H new ATOM 0 HG SER A 7 -11.852 -1.053 6.457 1.00 12.24 H new ATOM 122 N VAL A 8 -10.389 -2.925 2.641 1.00 73.02 N ATOM 123 CA VAL A 8 -11.162 -3.602 1.581 1.00 51.32 C ATOM 124 C VAL A 8 -11.389 -5.094 1.922 1.00 22.22 C ATOM 125 O VAL A 8 -10.535 -5.719 2.548 1.00 14.13 O ATOM 126 CB VAL A 8 -10.418 -3.468 0.196 1.00 33.42 C ATOM 127 CG1 VAL A 8 -9.110 -4.313 0.150 1.00 10.23 C ATOM 128 CG2 VAL A 8 -11.365 -3.793 -0.981 1.00 72.15 C ATOM 0 H VAL A 8 -9.747 -3.540 3.141 1.00 73.02 H new ATOM 0 HA VAL A 8 -12.136 -3.119 1.511 1.00 51.32 H new ATOM 0 HB VAL A 8 -10.114 -2.427 0.088 1.00 33.42 H new ATOM 0 HG11 VAL A 8 -8.632 -4.190 -0.822 1.00 10.23 H new ATOM 0 HG12 VAL A 8 -8.431 -3.976 0.934 1.00 10.23 H new ATOM 0 HG13 VAL A 8 -9.351 -5.365 0.306 1.00 10.23 H new ATOM 0 HG21 VAL A 8 -10.824 -3.692 -1.922 1.00 72.15 H new ATOM 0 HG22 VAL A 8 -11.732 -4.814 -0.881 1.00 72.15 H new ATOM 0 HG23 VAL A 8 -12.208 -3.102 -0.971 1.00 72.15 H new ATOM 138 N GLU A 9 -12.544 -5.653 1.516 1.00 72.35 N ATOM 139 CA GLU A 9 -12.809 -7.103 1.623 1.00 4.51 C ATOM 140 C GLU A 9 -12.410 -7.808 0.307 1.00 32.33 C ATOM 141 O GLU A 9 -12.890 -7.451 -0.771 1.00 30.02 O ATOM 142 CB GLU A 9 -14.296 -7.391 1.957 1.00 55.32 C ATOM 143 CG GLU A 9 -14.598 -8.886 2.199 1.00 63.22 C ATOM 144 CD GLU A 9 -16.066 -9.164 2.554 1.00 61.21 C ATOM 145 OE1 GLU A 9 -16.895 -9.314 1.628 1.00 44.42 O ATOM 146 OE2 GLU A 9 -16.401 -9.229 3.757 1.00 25.43 O ATOM 0 H GLU A 9 -13.313 -5.121 1.109 1.00 72.35 H new ATOM 0 HA GLU A 9 -12.206 -7.495 2.442 1.00 4.51 H new ATOM 0 HB2 GLU A 9 -14.576 -6.824 2.845 1.00 55.32 H new ATOM 0 HB3 GLU A 9 -14.920 -7.031 1.139 1.00 55.32 H new ATOM 0 HG2 GLU A 9 -14.335 -9.451 1.305 1.00 63.22 H new ATOM 0 HG3 GLU A 9 -13.962 -9.251 3.005 1.00 63.22 H new ATOM 153 N VAL A 10 -11.525 -8.801 0.422 1.00 73.30 N ATOM 154 CA VAL A 10 -10.980 -9.573 -0.711 1.00 75.52 C ATOM 155 C VAL A 10 -11.556 -11.008 -0.720 1.00 3.22 C ATOM 156 O VAL A 10 -11.581 -11.673 0.318 1.00 2.23 O ATOM 157 CB VAL A 10 -9.415 -9.619 -0.609 1.00 34.32 C ATOM 158 CG1 VAL A 10 -8.797 -10.440 -1.759 1.00 53.13 C ATOM 159 CG2 VAL A 10 -8.834 -8.183 -0.563 1.00 41.42 C ATOM 0 H VAL A 10 -11.155 -9.102 1.324 1.00 73.30 H new ATOM 0 HA VAL A 10 -11.268 -9.084 -1.642 1.00 75.52 H new ATOM 0 HB VAL A 10 -9.151 -10.123 0.321 1.00 34.32 H new ATOM 0 HG11 VAL A 10 -7.712 -10.450 -1.656 1.00 53.13 H new ATOM 0 HG12 VAL A 10 -9.175 -11.462 -1.721 1.00 53.13 H new ATOM 0 HG13 VAL A 10 -9.067 -9.989 -2.714 1.00 53.13 H new ATOM 0 HG21 VAL A 10 -7.747 -8.232 -0.492 1.00 41.42 H new ATOM 0 HG22 VAL A 10 -9.115 -7.648 -1.470 1.00 41.42 H new ATOM 0 HG23 VAL A 10 -9.231 -7.658 0.306 1.00 41.42 H new ATOM 169 N ALA A 11 -12.021 -11.478 -1.894 1.00 30.42 N ATOM 170 CA ALA A 11 -12.510 -12.863 -2.077 1.00 2.32 C ATOM 171 C ALA A 11 -11.348 -13.841 -2.401 1.00 43.30 C ATOM 172 O ALA A 11 -11.282 -14.412 -3.497 1.00 3.45 O ATOM 173 CB ALA A 11 -13.587 -12.877 -3.173 1.00 61.51 C ATOM 0 H ALA A 11 -12.069 -10.912 -2.741 1.00 30.42 H new ATOM 0 HA ALA A 11 -12.952 -13.210 -1.143 1.00 2.32 H new ATOM 0 HB1 ALA A 11 -13.951 -13.895 -3.312 1.00 61.51 H new ATOM 0 HB2 ALA A 11 -14.415 -12.233 -2.878 1.00 61.51 H new ATOM 0 HB3 ALA A 11 -13.160 -12.513 -4.108 1.00 61.51 H new ATOM 179 N ALA A 12 -10.429 -14.001 -1.432 1.00 73.15 N ATOM 180 CA ALA A 12 -9.266 -14.911 -1.555 1.00 43.11 C ATOM 181 C ALA A 12 -8.617 -15.174 -0.173 1.00 25.20 C ATOM 182 O ALA A 12 -8.665 -14.297 0.705 1.00 53.45 O ATOM 183 CB ALA A 12 -8.224 -14.339 -2.537 1.00 64.11 C ATOM 0 H ALA A 12 -10.468 -13.506 -0.541 1.00 73.15 H new ATOM 0 HA ALA A 12 -9.627 -15.861 -1.949 1.00 43.11 H new ATOM 0 HB1 ALA A 12 -7.379 -15.024 -2.611 1.00 64.11 H new ATOM 0 HB2 ALA A 12 -8.679 -14.216 -3.520 1.00 64.11 H new ATOM 0 HB3 ALA A 12 -7.876 -13.372 -2.175 1.00 64.11 H new ATOM 189 N PRO A 13 -8.019 -16.399 0.047 1.00 12.32 N ATOM 190 CA PRO A 13 -7.232 -16.718 1.275 1.00 30.45 C ATOM 191 C PRO A 13 -6.091 -15.697 1.549 1.00 2.14 C ATOM 192 O PRO A 13 -5.290 -15.397 0.653 1.00 4.35 O ATOM 193 CB PRO A 13 -6.670 -18.149 0.995 1.00 33.14 C ATOM 194 CG PRO A 13 -6.859 -18.367 -0.479 1.00 44.12 C ATOM 195 CD PRO A 13 -8.090 -17.580 -0.862 1.00 23.05 C ATOM 0 HA PRO A 13 -7.848 -16.668 2.173 1.00 30.45 H new ATOM 0 HB2 PRO A 13 -5.618 -18.220 1.271 1.00 33.14 H new ATOM 0 HB3 PRO A 13 -7.203 -18.902 1.576 1.00 33.14 H new ATOM 0 HG2 PRO A 13 -5.988 -18.026 -1.039 1.00 44.12 H new ATOM 0 HG3 PRO A 13 -6.987 -19.426 -0.703 1.00 44.12 H new ATOM 0 HD2 PRO A 13 -8.072 -17.285 -1.911 1.00 23.05 H new ATOM 0 HD3 PRO A 13 -9.003 -18.155 -0.708 1.00 23.05 H new ATOM 203 N ALA A 14 -6.055 -15.171 2.800 1.00 43.13 N ATOM 204 CA ALA A 14 -5.118 -14.110 3.256 1.00 12.44 C ATOM 205 C ALA A 14 -3.634 -14.345 2.885 1.00 34.40 C ATOM 206 O ALA A 14 -2.918 -13.390 2.606 1.00 20.44 O ATOM 207 CB ALA A 14 -5.255 -13.928 4.783 1.00 75.14 C ATOM 0 H ALA A 14 -6.690 -15.479 3.536 1.00 43.13 H new ATOM 0 HA ALA A 14 -5.408 -13.206 2.721 1.00 12.44 H new ATOM 0 HB1 ALA A 14 -4.569 -13.151 5.120 1.00 75.14 H new ATOM 0 HB2 ALA A 14 -6.278 -13.639 5.025 1.00 75.14 H new ATOM 0 HB3 ALA A 14 -5.015 -14.866 5.284 1.00 75.14 H new ATOM 213 N ALA A 15 -3.180 -15.610 2.932 1.00 33.33 N ATOM 214 CA ALA A 15 -1.786 -15.985 2.575 1.00 71.43 C ATOM 215 C ALA A 15 -1.463 -15.691 1.093 1.00 44.31 C ATOM 216 O ALA A 15 -0.403 -15.143 0.788 1.00 0.11 O ATOM 217 CB ALA A 15 -1.529 -17.464 2.895 1.00 63.53 C ATOM 0 H ALA A 15 -3.758 -16.401 3.215 1.00 33.33 H new ATOM 0 HA ALA A 15 -1.122 -15.368 3.180 1.00 71.43 H new ATOM 0 HB1 ALA A 15 -0.504 -17.721 2.628 1.00 63.53 H new ATOM 0 HB2 ALA A 15 -1.680 -17.637 3.960 1.00 63.53 H new ATOM 0 HB3 ALA A 15 -2.220 -18.085 2.325 1.00 63.53 H new ATOM 223 N ASP A 16 -2.374 -16.082 0.183 1.00 33.40 N ATOM 224 CA ASP A 16 -2.240 -15.810 -1.273 1.00 54.14 C ATOM 225 C ASP A 16 -2.258 -14.298 -1.592 1.00 33.35 C ATOM 226 O ASP A 16 -1.548 -13.830 -2.486 1.00 1.43 O ATOM 227 CB ASP A 16 -3.356 -16.544 -2.042 1.00 44.34 C ATOM 228 CG ASP A 16 -3.176 -18.068 -1.998 1.00 10.12 C ATOM 229 OD1 ASP A 16 -3.435 -18.673 -0.936 1.00 51.55 O ATOM 230 OD2 ASP A 16 -2.733 -18.663 -3.004 1.00 54.15 O ATOM 0 H ASP A 16 -3.222 -16.593 0.427 1.00 33.40 H new ATOM 0 HA ASP A 16 -1.269 -16.186 -1.595 1.00 54.14 H new ATOM 0 HB2 ASP A 16 -4.324 -16.281 -1.616 1.00 44.34 H new ATOM 0 HB3 ASP A 16 -3.363 -16.209 -3.079 1.00 44.34 H new ATOM 235 N VAL A 17 -3.060 -13.544 -0.829 1.00 35.54 N ATOM 236 CA VAL A 17 -3.128 -12.071 -0.927 1.00 33.30 C ATOM 237 C VAL A 17 -1.830 -11.431 -0.359 1.00 4.45 C ATOM 238 O VAL A 17 -1.346 -10.412 -0.856 1.00 13.01 O ATOM 239 CB VAL A 17 -4.393 -11.533 -0.167 1.00 52.11 C ATOM 240 CG1 VAL A 17 -4.506 -9.992 -0.267 1.00 24.10 C ATOM 241 CG2 VAL A 17 -5.681 -12.228 -0.689 1.00 14.13 C ATOM 0 H VAL A 17 -3.684 -13.935 -0.123 1.00 35.54 H new ATOM 0 HA VAL A 17 -3.215 -11.793 -1.977 1.00 33.30 H new ATOM 0 HB VAL A 17 -4.278 -11.778 0.889 1.00 52.11 H new ATOM 0 HG11 VAL A 17 -5.393 -9.657 0.271 1.00 24.10 H new ATOM 0 HG12 VAL A 17 -3.620 -9.533 0.172 1.00 24.10 H new ATOM 0 HG13 VAL A 17 -4.584 -9.700 -1.314 1.00 24.10 H new ATOM 0 HG21 VAL A 17 -6.546 -11.842 -0.150 1.00 14.13 H new ATOM 0 HG22 VAL A 17 -5.797 -12.027 -1.754 1.00 14.13 H new ATOM 0 HG23 VAL A 17 -5.604 -13.304 -0.529 1.00 14.13 H new ATOM 251 N TRP A 18 -1.276 -12.065 0.689 1.00 34.14 N ATOM 252 CA TRP A 18 -0.007 -11.646 1.319 1.00 54.44 C ATOM 253 C TRP A 18 1.219 -11.975 0.421 1.00 60.24 C ATOM 254 O TRP A 18 2.248 -11.317 0.517 1.00 73.13 O ATOM 255 CB TRP A 18 0.151 -12.275 2.734 1.00 15.33 C ATOM 256 CG TRP A 18 1.454 -11.902 3.424 1.00 20.34 C ATOM 257 CD1 TRP A 18 2.457 -12.743 3.828 1.00 71.05 C ATOM 258 CD2 TRP A 18 1.908 -10.566 3.733 1.00 11.53 C ATOM 259 NE1 TRP A 18 3.482 -12.020 4.381 1.00 64.11 N ATOM 260 CE2 TRP A 18 3.173 -10.688 4.325 1.00 11.35 C ATOM 261 CE3 TRP A 18 1.368 -9.286 3.561 1.00 42.42 C ATOM 262 CZ2 TRP A 18 3.904 -9.584 4.749 1.00 54.11 C ATOM 263 CZ3 TRP A 18 2.097 -8.190 3.978 1.00 42.41 C ATOM 264 CH2 TRP A 18 3.358 -8.348 4.562 1.00 52.41 C ATOM 0 H TRP A 18 -1.695 -12.886 1.126 1.00 34.14 H new ATOM 0 HA TRP A 18 -0.044 -10.563 1.433 1.00 54.44 H new ATOM 0 HB2 TRP A 18 -0.685 -11.959 3.358 1.00 15.33 H new ATOM 0 HB3 TRP A 18 0.092 -13.360 2.649 1.00 15.33 H new ATOM 0 HD1 TRP A 18 2.442 -13.818 3.726 1.00 71.05 H new ATOM 0 HE1 TRP A 18 4.339 -12.412 4.772 1.00 64.11 H new ATOM 0 HE3 TRP A 18 0.396 -9.158 3.109 1.00 42.42 H new ATOM 0 HZ2 TRP A 18 4.873 -9.701 5.212 1.00 54.11 H new ATOM 0 HZ3 TRP A 18 1.688 -7.198 3.852 1.00 42.41 H new ATOM 0 HH2 TRP A 18 3.911 -7.473 4.871 1.00 52.41 H new ATOM 275 N THR A 19 1.115 -13.012 -0.426 1.00 53.21 N ATOM 276 CA THR A 19 2.156 -13.312 -1.447 1.00 45.25 C ATOM 277 C THR A 19 2.154 -12.215 -2.550 1.00 53.44 C ATOM 278 O THR A 19 3.191 -11.882 -3.127 1.00 52.13 O ATOM 279 CB THR A 19 1.926 -14.727 -2.090 1.00 10.01 C ATOM 280 OG1 THR A 19 1.862 -15.730 -1.057 1.00 21.41 O ATOM 281 CG2 THR A 19 3.035 -15.117 -3.085 1.00 50.11 C ATOM 0 H THR A 19 0.327 -13.660 -0.431 1.00 53.21 H new ATOM 0 HA THR A 19 3.127 -13.319 -0.951 1.00 45.25 H new ATOM 0 HB THR A 19 0.986 -14.671 -2.639 1.00 10.01 H new ATOM 0 HG1 THR A 19 1.097 -15.548 -0.472 1.00 21.41 H new ATOM 0 HG21 THR A 19 2.823 -16.104 -3.497 1.00 50.11 H new ATOM 0 HG22 THR A 19 3.072 -14.386 -3.893 1.00 50.11 H new ATOM 0 HG23 THR A 19 3.995 -15.138 -2.570 1.00 50.11 H new ATOM 289 N LEU A 20 0.970 -11.629 -2.774 1.00 53.33 N ATOM 290 CA LEU A 20 0.730 -10.605 -3.809 1.00 1.43 C ATOM 291 C LEU A 20 1.316 -9.220 -3.396 1.00 42.30 C ATOM 292 O LEU A 20 2.023 -8.574 -4.181 1.00 63.23 O ATOM 293 CB LEU A 20 -0.802 -10.536 -4.053 1.00 53.40 C ATOM 294 CG LEU A 20 -1.315 -9.522 -5.112 1.00 64.25 C ATOM 295 CD1 LEU A 20 -0.732 -9.802 -6.506 1.00 64.20 C ATOM 296 CD2 LEU A 20 -2.853 -9.509 -5.144 1.00 75.04 C ATOM 0 H LEU A 20 0.135 -11.855 -2.233 1.00 53.33 H new ATOM 0 HA LEU A 20 1.241 -10.877 -4.732 1.00 1.43 H new ATOM 0 HB2 LEU A 20 -1.141 -11.529 -4.347 1.00 53.40 H new ATOM 0 HB3 LEU A 20 -1.284 -10.303 -3.103 1.00 53.40 H new ATOM 0 HG LEU A 20 -0.967 -8.532 -4.817 1.00 64.25 H new ATOM 0 HD11 LEU A 20 -1.117 -9.069 -7.215 1.00 64.20 H new ATOM 0 HD12 LEU A 20 0.355 -9.732 -6.467 1.00 64.20 H new ATOM 0 HD13 LEU A 20 -1.020 -10.803 -6.826 1.00 64.20 H new ATOM 0 HD21 LEU A 20 -3.195 -8.793 -5.891 1.00 75.04 H new ATOM 0 HD22 LEU A 20 -3.220 -10.503 -5.399 1.00 75.04 H new ATOM 0 HD23 LEU A 20 -3.235 -9.221 -4.164 1.00 75.04 H new ATOM 308 N VAL A 21 1.003 -8.780 -2.154 1.00 4.21 N ATOM 309 CA VAL A 21 1.512 -7.492 -1.589 1.00 24.53 C ATOM 310 C VAL A 21 2.903 -7.645 -0.908 1.00 1.21 C ATOM 311 O VAL A 21 3.744 -6.749 -1.004 1.00 13.53 O ATOM 312 CB VAL A 21 0.494 -6.843 -0.566 1.00 42.42 C ATOM 313 CG1 VAL A 21 -0.828 -6.451 -1.257 1.00 64.43 C ATOM 314 CG2 VAL A 21 0.213 -7.766 0.641 1.00 41.41 C ATOM 0 H VAL A 21 0.398 -9.296 -1.516 1.00 4.21 H new ATOM 0 HA VAL A 21 1.621 -6.826 -2.445 1.00 24.53 H new ATOM 0 HB VAL A 21 0.970 -5.937 -0.189 1.00 42.42 H new ATOM 0 HG11 VAL A 21 -1.504 -6.008 -0.525 1.00 64.43 H new ATOM 0 HG12 VAL A 21 -0.625 -5.728 -2.047 1.00 64.43 H new ATOM 0 HG13 VAL A 21 -1.291 -7.339 -1.688 1.00 64.43 H new ATOM 0 HG21 VAL A 21 -0.491 -7.279 1.316 1.00 41.41 H new ATOM 0 HG22 VAL A 21 -0.213 -8.706 0.289 1.00 41.41 H new ATOM 0 HG23 VAL A 21 1.144 -7.966 1.171 1.00 41.41 H new ATOM 324 N GLY A 22 3.127 -8.797 -0.239 1.00 55.34 N ATOM 325 CA GLY A 22 4.346 -9.054 0.564 1.00 22.53 C ATOM 326 C GLY A 22 5.636 -9.118 -0.252 1.00 12.22 C ATOM 327 O GLY A 22 6.736 -8.913 0.292 1.00 12.01 O ATOM 0 H GLY A 22 2.469 -9.576 -0.239 1.00 55.34 H new ATOM 0 HA2 GLY A 22 4.444 -8.270 1.315 1.00 22.53 H new ATOM 0 HA3 GLY A 22 4.222 -9.995 1.100 1.00 22.53 H new ATOM 331 N ASP A 23 5.507 -9.470 -1.542 1.00 44.45 N ATOM 332 CA ASP A 23 6.553 -9.207 -2.537 1.00 22.04 C ATOM 333 C ASP A 23 6.493 -7.723 -2.953 1.00 31.43 C ATOM 334 O ASP A 23 5.559 -7.298 -3.644 1.00 14.03 O ATOM 335 CB ASP A 23 6.401 -10.125 -3.780 1.00 24.34 C ATOM 336 CG ASP A 23 6.965 -11.528 -3.556 1.00 4.32 C ATOM 337 OD1 ASP A 23 6.264 -12.387 -2.971 1.00 54.33 O ATOM 338 OD2 ASP A 23 8.134 -11.776 -3.939 1.00 33.20 O ATOM 0 H ASP A 23 4.684 -9.939 -1.919 1.00 44.45 H new ATOM 0 HA ASP A 23 7.523 -9.426 -2.089 1.00 22.04 H new ATOM 0 HB2 ASP A 23 5.346 -10.201 -4.043 1.00 24.34 H new ATOM 0 HB3 ASP A 23 6.908 -9.666 -4.629 1.00 24.34 H new ATOM 343 N PHE A 24 7.494 -6.948 -2.505 1.00 5.11 N ATOM 344 CA PHE A 24 7.663 -5.521 -2.863 1.00 73.13 C ATOM 345 C PHE A 24 7.792 -5.354 -4.407 1.00 64.43 C ATOM 346 O PHE A 24 7.397 -4.340 -4.972 1.00 72.21 O ATOM 347 CB PHE A 24 8.922 -4.991 -2.120 1.00 64.24 C ATOM 348 CG PHE A 24 9.098 -3.474 -2.080 1.00 12.13 C ATOM 349 CD1 PHE A 24 8.116 -2.661 -1.511 1.00 2.42 C ATOM 350 CD2 PHE A 24 10.255 -2.861 -2.575 1.00 34.51 C ATOM 351 CE1 PHE A 24 8.283 -1.294 -1.440 1.00 64.25 C ATOM 352 CE2 PHE A 24 10.414 -1.492 -2.503 1.00 61.02 C ATOM 353 CZ PHE A 24 9.429 -0.710 -1.937 1.00 1.50 C ATOM 0 H PHE A 24 8.219 -7.294 -1.877 1.00 5.11 H new ATOM 0 HA PHE A 24 6.790 -4.943 -2.559 1.00 73.13 H new ATOM 0 HB2 PHE A 24 8.894 -5.359 -1.094 1.00 64.24 H new ATOM 0 HB3 PHE A 24 9.804 -5.425 -2.590 1.00 64.24 H new ATOM 0 HD1 PHE A 24 7.214 -3.109 -1.121 1.00 2.42 H new ATOM 0 HD2 PHE A 24 11.032 -3.466 -3.018 1.00 34.51 H new ATOM 0 HE1 PHE A 24 7.515 -0.680 -0.994 1.00 64.25 H new ATOM 0 HE2 PHE A 24 11.311 -1.032 -2.890 1.00 61.02 H new ATOM 0 HZ PHE A 24 9.555 0.361 -1.883 1.00 1.50 H new ATOM 363 N SER A 25 8.304 -6.415 -5.071 1.00 21.51 N ATOM 364 CA SER A 25 8.467 -6.471 -6.544 1.00 65.14 C ATOM 365 C SER A 25 7.144 -6.755 -7.295 1.00 73.21 C ATOM 366 O SER A 25 7.002 -6.371 -8.458 1.00 63.05 O ATOM 367 CB SER A 25 9.492 -7.558 -6.925 1.00 41.43 C ATOM 368 OG SER A 25 9.062 -8.849 -6.508 1.00 22.15 O ATOM 0 H SER A 25 8.618 -7.262 -4.598 1.00 21.51 H new ATOM 0 HA SER A 25 8.815 -5.484 -6.847 1.00 65.14 H new ATOM 0 HB2 SER A 25 9.643 -7.555 -8.004 1.00 41.43 H new ATOM 0 HB3 SER A 25 10.454 -7.328 -6.468 1.00 41.43 H new ATOM 0 HG SER A 25 9.732 -9.516 -6.766 1.00 22.15 H new ATOM 374 N ALA A 26 6.166 -7.396 -6.626 1.00 11.11 N ATOM 375 CA ALA A 26 4.956 -7.956 -7.301 1.00 73.11 C ATOM 376 C ALA A 26 3.725 -7.056 -7.105 1.00 53.05 C ATOM 377 O ALA A 26 2.604 -7.440 -7.460 1.00 64.40 O ATOM 378 CB ALA A 26 4.656 -9.383 -6.807 1.00 22.20 C ATOM 0 H ALA A 26 6.181 -7.544 -5.617 1.00 11.11 H new ATOM 0 HA ALA A 26 5.176 -7.995 -8.368 1.00 73.11 H new ATOM 0 HB1 ALA A 26 3.771 -9.765 -7.315 1.00 22.20 H new ATOM 0 HB2 ALA A 26 5.506 -10.029 -7.024 1.00 22.20 H new ATOM 0 HB3 ALA A 26 4.478 -9.366 -5.732 1.00 22.20 H new ATOM 384 N ILE A 27 3.952 -5.842 -6.572 1.00 34.03 N ATOM 385 CA ILE A 27 2.898 -4.824 -6.412 1.00 65.33 C ATOM 386 C ILE A 27 2.249 -4.430 -7.777 1.00 72.43 C ATOM 387 O ILE A 27 1.081 -4.063 -7.822 1.00 64.04 O ATOM 388 CB ILE A 27 3.441 -3.561 -5.630 1.00 64.22 C ATOM 389 CG1 ILE A 27 2.306 -2.518 -5.389 1.00 23.31 C ATOM 390 CG2 ILE A 27 4.633 -2.919 -6.356 1.00 63.25 C ATOM 391 CD1 ILE A 27 2.645 -1.369 -4.454 1.00 13.40 C ATOM 0 H ILE A 27 4.868 -5.540 -6.241 1.00 34.03 H new ATOM 0 HA ILE A 27 2.105 -5.268 -5.810 1.00 65.33 H new ATOM 0 HB ILE A 27 3.794 -3.905 -4.658 1.00 64.22 H new ATOM 0 HG12 ILE A 27 2.012 -2.102 -6.352 1.00 23.31 H new ATOM 0 HG13 ILE A 27 1.437 -3.041 -4.989 1.00 23.31 H new ATOM 0 HG21 ILE A 27 4.980 -2.054 -5.791 1.00 63.25 H new ATOM 0 HG22 ILE A 27 5.441 -3.645 -6.441 1.00 63.25 H new ATOM 0 HG23 ILE A 27 4.324 -2.601 -7.352 1.00 63.25 H new ATOM 0 HD11 ILE A 27 1.783 -0.708 -4.362 1.00 13.40 H new ATOM 0 HD12 ILE A 27 2.906 -1.764 -3.472 1.00 13.40 H new ATOM 0 HD13 ILE A 27 3.489 -0.809 -4.856 1.00 13.40 H new ATOM 403 N HIS A 28 2.999 -4.597 -8.891 1.00 44.14 N ATOM 404 CA HIS A 28 2.492 -4.320 -10.268 1.00 32.14 C ATOM 405 C HIS A 28 1.313 -5.251 -10.688 1.00 14.22 C ATOM 406 O HIS A 28 0.569 -4.933 -11.620 1.00 10.02 O ATOM 407 CB HIS A 28 3.654 -4.420 -11.299 1.00 31.31 C ATOM 408 CG HIS A 28 4.237 -5.806 -11.488 1.00 20.41 C ATOM 409 ND1 HIS A 28 5.141 -6.376 -10.621 1.00 42.03 N ATOM 410 CD2 HIS A 28 4.046 -6.727 -12.466 1.00 23.42 C ATOM 411 CE1 HIS A 28 5.474 -7.575 -11.055 1.00 51.34 C ATOM 412 NE2 HIS A 28 4.825 -7.811 -12.172 1.00 12.44 N ATOM 0 H HIS A 28 3.965 -4.924 -8.869 1.00 44.14 H new ATOM 0 HA HIS A 28 2.096 -3.305 -10.257 1.00 32.14 H new ATOM 0 HB2 HIS A 28 3.294 -4.061 -12.263 1.00 31.31 H new ATOM 0 HB3 HIS A 28 4.453 -3.748 -10.987 1.00 31.31 H new ATOM 0 HD1 HIS A 28 5.499 -5.938 -9.772 1.00 42.03 H new ATOM 0 HD2 HIS A 28 3.396 -6.622 -13.322 1.00 23.42 H new ATOM 0 HE1 HIS A 28 6.165 -8.250 -10.573 1.00 51.34 H new ATOM 421 N ARG A 29 1.164 -6.394 -9.992 1.00 43.21 N ATOM 422 CA ARG A 29 0.148 -7.421 -10.326 1.00 2.53 C ATOM 423 C ARG A 29 -1.272 -7.036 -9.838 1.00 64.24 C ATOM 424 O ARG A 29 -2.264 -7.494 -10.411 1.00 54.32 O ATOM 425 CB ARG A 29 0.579 -8.783 -9.716 1.00 70.12 C ATOM 426 CG ARG A 29 1.955 -9.318 -10.194 1.00 71.03 C ATOM 427 CD ARG A 29 1.914 -9.979 -11.593 1.00 50.44 C ATOM 428 NE ARG A 29 1.528 -9.054 -12.684 1.00 74.22 N ATOM 429 CZ ARG A 29 1.090 -9.424 -13.873 1.00 33.23 C ATOM 430 NH1 ARG A 29 0.968 -10.675 -14.185 1.00 43.33 N ATOM 431 NH2 ARG A 29 0.769 -8.531 -14.747 1.00 64.44 N ATOM 0 H ARG A 29 1.740 -6.635 -9.185 1.00 43.21 H new ATOM 0 HA ARG A 29 0.094 -7.496 -11.412 1.00 2.53 H new ATOM 0 HB2 ARG A 29 0.603 -8.685 -8.631 1.00 70.12 H new ATOM 0 HB3 ARG A 29 -0.183 -9.526 -9.952 1.00 70.12 H new ATOM 0 HG2 ARG A 29 2.669 -8.494 -10.212 1.00 71.03 H new ATOM 0 HG3 ARG A 29 2.324 -10.044 -9.470 1.00 71.03 H new ATOM 0 HD2 ARG A 29 2.896 -10.397 -11.815 1.00 50.44 H new ATOM 0 HD3 ARG A 29 1.211 -10.811 -11.570 1.00 50.44 H new ATOM 0 HE ARG A 29 1.607 -8.053 -12.502 1.00 74.22 H new ATOM 0 HH11 ARG A 29 1.212 -11.396 -13.506 1.00 43.33 H new ATOM 0 HH12 ARG A 29 0.628 -10.939 -15.110 1.00 43.33 H new ATOM 0 HH21 ARG A 29 0.854 -7.540 -14.519 1.00 64.44 H new ATOM 0 HH22 ARG A 29 0.430 -8.816 -15.666 1.00 64.44 H new ATOM 445 N TRP A 30 -1.358 -6.187 -8.790 1.00 53.21 N ATOM 446 CA TRP A 30 -2.656 -5.754 -8.203 1.00 14.03 C ATOM 447 C TRP A 30 -2.869 -4.240 -8.345 1.00 51.21 C ATOM 448 O TRP A 30 -4.007 -3.777 -8.493 1.00 23.14 O ATOM 449 CB TRP A 30 -2.761 -6.161 -6.711 1.00 23.42 C ATOM 450 CG TRP A 30 -1.713 -5.583 -5.777 1.00 2.25 C ATOM 451 CD1 TRP A 30 -0.453 -6.059 -5.564 1.00 53.45 C ATOM 452 CD2 TRP A 30 -1.853 -4.447 -4.902 1.00 52.03 C ATOM 453 NE1 TRP A 30 0.182 -5.305 -4.617 1.00 52.33 N ATOM 454 CE2 TRP A 30 -0.652 -4.313 -4.196 1.00 55.21 C ATOM 455 CE3 TRP A 30 -2.882 -3.540 -4.640 1.00 20.13 C ATOM 456 CZ2 TRP A 30 -0.442 -3.307 -3.254 1.00 3.53 C ATOM 457 CZ3 TRP A 30 -2.673 -2.541 -3.705 1.00 55.23 C ATOM 458 CH2 TRP A 30 -1.462 -2.437 -3.017 1.00 64.24 C ATOM 0 H TRP A 30 -0.543 -5.784 -8.328 1.00 53.21 H new ATOM 0 HA TRP A 30 -3.440 -6.264 -8.763 1.00 14.03 H new ATOM 0 HB2 TRP A 30 -3.744 -5.866 -6.345 1.00 23.42 H new ATOM 0 HB3 TRP A 30 -2.711 -7.248 -6.649 1.00 23.42 H new ATOM 0 HD1 TRP A 30 -0.019 -6.909 -6.070 1.00 53.45 H new ATOM 0 HE1 TRP A 30 1.132 -5.461 -4.278 1.00 52.33 H new ATOM 0 HE3 TRP A 30 -3.826 -3.617 -5.159 1.00 20.13 H new ATOM 0 HZ2 TRP A 30 0.498 -3.221 -2.730 1.00 3.53 H new ATOM 0 HZ3 TRP A 30 -3.460 -1.829 -3.504 1.00 55.23 H new ATOM 0 HH2 TRP A 30 -1.333 -1.654 -2.285 1.00 64.24 H new ATOM 469 N HIS A 31 -1.770 -3.478 -8.284 1.00 74.02 N ATOM 470 CA HIS A 31 -1.807 -2.012 -8.286 1.00 62.55 C ATOM 471 C HIS A 31 -1.756 -1.493 -9.747 1.00 62.03 C ATOM 472 O HIS A 31 -0.708 -1.604 -10.399 1.00 23.12 O ATOM 473 CB HIS A 31 -0.633 -1.455 -7.457 1.00 61.41 C ATOM 474 CG HIS A 31 -0.844 -0.051 -6.973 1.00 11.04 C ATOM 475 ND1 HIS A 31 -0.698 1.034 -7.804 1.00 63.44 N ATOM 476 CD2 HIS A 31 -1.160 0.383 -5.740 1.00 2.54 C ATOM 477 CE1 HIS A 31 -0.930 2.089 -7.050 1.00 22.11 C ATOM 478 NE2 HIS A 31 -1.216 1.748 -5.797 1.00 3.11 N ATOM 0 H HIS A 31 -0.827 -3.863 -8.232 1.00 74.02 H new ATOM 0 HA HIS A 31 -2.735 -1.668 -7.830 1.00 62.55 H new ATOM 0 HB2 HIS A 31 -0.468 -2.104 -6.597 1.00 61.41 H new ATOM 0 HB3 HIS A 31 0.274 -1.488 -8.061 1.00 61.41 H new ATOM 0 HD2 HIS A 31 -1.336 -0.231 -4.869 1.00 2.54 H new ATOM 0 HE1 HIS A 31 -0.892 3.108 -7.406 1.00 22.11 H new ATOM 0 HE2 HIS A 31 -1.435 2.381 -5.028 1.00 3.11 H new ATOM 486 N PRO A 32 -2.879 -0.917 -10.284 1.00 12.10 N ATOM 487 CA PRO A 32 -2.989 -0.541 -11.728 1.00 32.41 C ATOM 488 C PRO A 32 -2.095 0.662 -12.138 1.00 4.52 C ATOM 489 O PRO A 32 -1.867 0.894 -13.332 1.00 24.53 O ATOM 490 CB PRO A 32 -4.498 -0.214 -11.882 1.00 42.24 C ATOM 491 CG PRO A 32 -4.933 0.231 -10.521 1.00 74.31 C ATOM 492 CD PRO A 32 -4.123 -0.584 -9.535 1.00 32.44 C ATOM 0 HA PRO A 32 -2.637 -1.339 -12.382 1.00 32.41 H new ATOM 0 HB2 PRO A 32 -4.660 0.568 -12.624 1.00 42.24 H new ATOM 0 HB3 PRO A 32 -5.061 -1.088 -12.211 1.00 42.24 H new ATOM 0 HG2 PRO A 32 -4.755 1.298 -10.384 1.00 74.31 H new ATOM 0 HG3 PRO A 32 -6.001 0.065 -10.379 1.00 74.31 H new ATOM 0 HD2 PRO A 32 -3.905 -0.016 -8.631 1.00 32.44 H new ATOM 0 HD3 PRO A 32 -4.656 -1.483 -9.226 1.00 32.44 H new ATOM 500 N GLN A 33 -1.598 1.416 -11.144 1.00 44.54 N ATOM 501 CA GLN A 33 -0.720 2.590 -11.369 1.00 54.52 C ATOM 502 C GLN A 33 0.776 2.189 -11.375 1.00 24.14 C ATOM 503 O GLN A 33 1.603 2.881 -11.988 1.00 24.12 O ATOM 504 CB GLN A 33 -1.017 3.669 -10.292 1.00 34.12 C ATOM 505 CG GLN A 33 -2.364 4.426 -10.489 1.00 53.42 C ATOM 506 CD GLN A 33 -3.071 4.824 -9.188 1.00 74.35 C ATOM 507 OE1 GLN A 33 -3.664 5.893 -9.087 1.00 52.14 O ATOM 508 NE2 GLN A 33 -3.102 3.926 -8.224 1.00 23.41 N ATOM 0 H GLN A 33 -1.790 1.234 -10.159 1.00 44.54 H new ATOM 0 HA GLN A 33 -0.934 3.006 -12.353 1.00 54.52 H new ATOM 0 HB2 GLN A 33 -1.022 3.193 -9.311 1.00 34.12 H new ATOM 0 HB3 GLN A 33 -0.204 4.395 -10.290 1.00 34.12 H new ATOM 0 HG2 GLN A 33 -2.177 5.326 -11.075 1.00 53.42 H new ATOM 0 HG3 GLN A 33 -3.036 3.798 -11.074 1.00 53.42 H new ATOM 0 HE21 GLN A 33 -2.601 3.044 -8.332 1.00 23.41 H new ATOM 0 HE22 GLN A 33 -3.628 4.113 -7.370 1.00 23.41 H new ATOM 517 N VAL A 34 1.124 1.087 -10.680 1.00 71.15 N ATOM 518 CA VAL A 34 2.494 0.528 -10.705 1.00 73.14 C ATOM 519 C VAL A 34 2.762 -0.196 -12.060 1.00 2.13 C ATOM 520 O VAL A 34 2.303 -1.321 -12.285 1.00 22.10 O ATOM 521 CB VAL A 34 2.731 -0.441 -9.488 1.00 34.42 C ATOM 522 CG1 VAL A 34 4.128 -1.099 -9.549 1.00 14.34 C ATOM 523 CG2 VAL A 34 2.534 0.306 -8.143 1.00 63.02 C ATOM 0 H VAL A 34 0.474 0.564 -10.093 1.00 71.15 H new ATOM 0 HA VAL A 34 3.202 1.352 -10.613 1.00 73.14 H new ATOM 0 HB VAL A 34 1.989 -1.237 -9.552 1.00 34.42 H new ATOM 0 HG11 VAL A 34 4.256 -1.761 -8.693 1.00 14.34 H new ATOM 0 HG12 VAL A 34 4.219 -1.675 -10.470 1.00 14.34 H new ATOM 0 HG13 VAL A 34 4.896 -0.326 -9.527 1.00 14.34 H new ATOM 0 HG21 VAL A 34 2.703 -0.383 -7.316 1.00 63.02 H new ATOM 0 HG22 VAL A 34 3.243 1.131 -8.078 1.00 63.02 H new ATOM 0 HG23 VAL A 34 1.518 0.696 -8.089 1.00 63.02 H new ATOM 533 N SER A 35 3.528 0.469 -12.947 1.00 53.43 N ATOM 534 CA SER A 35 3.761 0.022 -14.352 1.00 31.40 C ATOM 535 C SER A 35 5.048 -0.835 -14.499 1.00 52.23 C ATOM 536 O SER A 35 5.792 -0.705 -15.484 1.00 72.12 O ATOM 537 CB SER A 35 3.838 1.268 -15.264 1.00 65.51 C ATOM 538 OG SER A 35 2.672 2.072 -15.155 1.00 71.53 O ATOM 0 H SER A 35 4.010 1.338 -12.716 1.00 53.43 H new ATOM 0 HA SER A 35 2.928 -0.616 -14.648 1.00 31.40 H new ATOM 0 HB2 SER A 35 4.714 1.860 -14.998 1.00 65.51 H new ATOM 0 HB3 SER A 35 3.968 0.954 -16.300 1.00 65.51 H new ATOM 0 HG SER A 35 2.756 2.851 -15.743 1.00 71.53 H new ATOM 544 N ALA A 36 5.267 -1.727 -13.518 1.00 41.31 N ATOM 545 CA ALA A 36 6.423 -2.669 -13.466 1.00 63.23 C ATOM 546 C ALA A 36 7.805 -1.936 -13.415 1.00 2.40 C ATOM 547 O ALA A 36 8.505 -1.833 -14.428 1.00 71.21 O ATOM 548 CB ALA A 36 6.363 -3.702 -14.614 1.00 41.31 C ATOM 0 H ALA A 36 4.640 -1.824 -12.719 1.00 41.31 H new ATOM 0 HA ALA A 36 6.335 -3.213 -12.526 1.00 63.23 H new ATOM 0 HB1 ALA A 36 7.220 -4.372 -14.546 1.00 41.31 H new ATOM 0 HB2 ALA A 36 5.443 -4.281 -14.535 1.00 41.31 H new ATOM 0 HB3 ALA A 36 6.384 -3.183 -15.572 1.00 41.31 H new ATOM 554 N PRO A 37 8.172 -1.357 -12.231 1.00 4.52 N ATOM 555 CA PRO A 37 9.485 -0.695 -12.012 1.00 60.34 C ATOM 556 C PRO A 37 10.663 -1.653 -11.662 1.00 1.31 C ATOM 557 O PRO A 37 10.552 -2.881 -11.740 1.00 30.43 O ATOM 558 CB PRO A 37 9.161 0.266 -10.850 1.00 54.44 C ATOM 559 CG PRO A 37 8.126 -0.435 -10.055 1.00 51.52 C ATOM 560 CD PRO A 37 7.301 -1.228 -11.043 1.00 71.10 C ATOM 0 HA PRO A 37 9.854 -0.217 -12.920 1.00 60.34 H new ATOM 0 HB2 PRO A 37 10.047 0.474 -10.250 1.00 54.44 H new ATOM 0 HB3 PRO A 37 8.794 1.224 -11.219 1.00 54.44 H new ATOM 0 HG2 PRO A 37 8.582 -1.091 -9.314 1.00 51.52 H new ATOM 0 HG3 PRO A 37 7.504 0.276 -9.511 1.00 51.52 H new ATOM 0 HD2 PRO A 37 7.030 -2.204 -10.641 1.00 71.10 H new ATOM 0 HD3 PRO A 37 6.371 -0.714 -11.286 1.00 71.10 H new ATOM 568 N THR A 38 11.781 -1.039 -11.222 1.00 72.02 N ATOM 569 CA THR A 38 13.106 -1.696 -11.086 1.00 22.41 C ATOM 570 C THR A 38 13.540 -1.793 -9.610 1.00 32.51 C ATOM 571 O THR A 38 13.375 -0.837 -8.861 1.00 52.54 O ATOM 572 CB THR A 38 14.168 -0.871 -11.880 1.00 54.44 C ATOM 573 OG1 THR A 38 13.772 -0.798 -13.260 1.00 60.10 O ATOM 574 CG2 THR A 38 15.596 -1.450 -11.784 1.00 12.44 C ATOM 0 H THR A 38 11.793 -0.057 -10.946 1.00 72.02 H new ATOM 0 HA THR A 38 13.029 -2.708 -11.484 1.00 22.41 H new ATOM 0 HB THR A 38 14.204 0.120 -11.427 1.00 54.44 H new ATOM 0 HG1 THR A 38 14.505 -0.422 -13.791 1.00 60.10 H new ATOM 0 HG21 THR A 38 16.281 -0.827 -12.359 1.00 12.44 H new ATOM 0 HG22 THR A 38 15.912 -1.469 -10.741 1.00 12.44 H new ATOM 0 HG23 THR A 38 15.605 -2.464 -12.184 1.00 12.44 H new ATOM 582 N LEU A 39 14.139 -2.939 -9.221 1.00 24.14 N ATOM 583 CA LEU A 39 14.639 -3.170 -7.840 1.00 4.22 C ATOM 584 C LEU A 39 16.124 -2.763 -7.703 1.00 43.33 C ATOM 585 O LEU A 39 16.922 -2.943 -8.629 1.00 4.44 O ATOM 586 CB LEU A 39 14.446 -4.668 -7.408 1.00 51.45 C ATOM 587 CG LEU A 39 13.041 -5.069 -6.854 1.00 11.44 C ATOM 588 CD1 LEU A 39 12.701 -4.289 -5.570 1.00 31.42 C ATOM 589 CD2 LEU A 39 11.943 -4.917 -7.921 1.00 4.33 C ATOM 0 H LEU A 39 14.291 -3.729 -9.848 1.00 24.14 H new ATOM 0 HA LEU A 39 14.049 -2.540 -7.175 1.00 4.22 H new ATOM 0 HB2 LEU A 39 14.664 -5.300 -8.269 1.00 51.45 H new ATOM 0 HB3 LEU A 39 15.190 -4.900 -6.646 1.00 51.45 H new ATOM 0 HG LEU A 39 13.084 -6.126 -6.591 1.00 11.44 H new ATOM 0 HD11 LEU A 39 11.717 -4.591 -5.210 1.00 31.42 H new ATOM 0 HD12 LEU A 39 13.448 -4.503 -4.806 1.00 31.42 H new ATOM 0 HD13 LEU A 39 12.696 -3.220 -5.784 1.00 31.42 H new ATOM 0 HD21 LEU A 39 10.981 -5.205 -7.497 1.00 4.33 H new ATOM 0 HD22 LEU A 39 11.898 -3.879 -8.251 1.00 4.33 H new ATOM 0 HD23 LEU A 39 12.171 -5.559 -8.772 1.00 4.33 H new ATOM 601 N ARG A 40 16.476 -2.204 -6.531 1.00 44.30 N ATOM 602 CA ARG A 40 17.874 -1.895 -6.151 1.00 63.43 C ATOM 603 C ARG A 40 18.296 -2.758 -4.941 1.00 71.42 C ATOM 604 O ARG A 40 17.514 -2.880 -3.981 1.00 65.34 O ATOM 605 CB ARG A 40 18.029 -0.395 -5.777 1.00 11.10 C ATOM 606 CG ARG A 40 17.661 0.622 -6.880 1.00 44.43 C ATOM 607 CD ARG A 40 18.620 0.576 -8.087 1.00 23.21 C ATOM 608 NE ARG A 40 18.396 1.709 -9.001 1.00 52.22 N ATOM 609 CZ ARG A 40 19.160 2.030 -10.022 1.00 32.12 C ATOM 610 NH1 ARG A 40 20.195 1.325 -10.344 1.00 12.33 N ATOM 611 NH2 ARG A 40 18.885 3.083 -10.709 1.00 44.15 N ATOM 0 H ARG A 40 15.797 -1.951 -5.813 1.00 44.30 H new ATOM 0 HA ARG A 40 18.511 -2.116 -7.007 1.00 63.43 H new ATOM 0 HB2 ARG A 40 17.409 -0.193 -4.904 1.00 11.10 H new ATOM 0 HB3 ARG A 40 19.063 -0.220 -5.481 1.00 11.10 H new ATOM 0 HG2 ARG A 40 16.645 0.426 -7.223 1.00 44.43 H new ATOM 0 HG3 ARG A 40 17.667 1.626 -6.457 1.00 44.43 H new ATOM 0 HD2 ARG A 40 19.651 0.591 -7.734 1.00 23.21 H new ATOM 0 HD3 ARG A 40 18.482 -0.361 -8.627 1.00 23.21 H new ATOM 0 HE ARG A 40 17.579 2.294 -8.827 1.00 52.22 H new ATOM 0 HH11 ARG A 40 20.437 0.496 -9.801 1.00 12.33 H new ATOM 0 HH12 ARG A 40 20.770 1.598 -11.141 1.00 12.33 H new ATOM 0 HH21 ARG A 40 18.081 3.659 -10.459 1.00 44.15 H new ATOM 0 HH22 ARG A 40 19.471 3.341 -11.503 1.00 44.15 H new ATOM 625 N GLY A 41 19.549 -3.287 -4.978 1.00 25.43 N ATOM 626 CA GLY A 41 20.132 -4.075 -3.869 1.00 14.44 C ATOM 627 C GLY A 41 19.224 -5.166 -3.283 1.00 53.13 C ATOM 628 O GLY A 41 18.800 -6.071 -4.016 1.00 53.12 O ATOM 0 H GLY A 41 20.176 -3.177 -5.775 1.00 25.43 H new ATOM 0 HA2 GLY A 41 21.051 -4.543 -4.223 1.00 14.44 H new ATOM 0 HA3 GLY A 41 20.411 -3.391 -3.068 1.00 14.44 H new ATOM 632 N ALA A 42 19.001 -5.082 -1.951 1.00 71.33 N ATOM 633 CA ALA A 42 18.229 -6.046 -1.131 1.00 62.34 C ATOM 634 C ALA A 42 16.970 -6.635 -1.831 1.00 40.32 C ATOM 635 O ALA A 42 16.251 -5.929 -2.542 1.00 11.11 O ATOM 636 CB ALA A 42 17.835 -5.362 0.196 1.00 12.12 C ATOM 0 H ALA A 42 19.369 -4.310 -1.395 1.00 71.33 H new ATOM 0 HA ALA A 42 18.880 -6.903 -0.959 1.00 62.34 H new ATOM 0 HB1 ALA A 42 17.266 -6.060 0.810 1.00 12.12 H new ATOM 0 HB2 ALA A 42 18.735 -5.059 0.731 1.00 12.12 H new ATOM 0 HB3 ALA A 42 17.225 -4.483 -0.015 1.00 12.12 H new ATOM 642 N SER A 43 16.760 -7.947 -1.628 1.00 20.44 N ATOM 643 CA SER A 43 15.593 -8.730 -2.148 1.00 60.45 C ATOM 644 C SER A 43 14.201 -8.072 -1.838 1.00 42.02 C ATOM 645 O SER A 43 14.087 -7.297 -0.885 1.00 43.41 O ATOM 646 CB SER A 43 15.648 -10.159 -1.540 1.00 62.43 C ATOM 647 OG SER A 43 16.836 -10.844 -1.905 1.00 13.44 O ATOM 0 H SER A 43 17.406 -8.520 -1.085 1.00 20.44 H new ATOM 0 HA SER A 43 15.677 -8.755 -3.234 1.00 60.45 H new ATOM 0 HB2 SER A 43 15.586 -10.094 -0.454 1.00 62.43 H new ATOM 0 HB3 SER A 43 14.782 -10.730 -1.875 1.00 62.43 H new ATOM 0 HG SER A 43 16.835 -11.738 -1.503 1.00 13.44 H new ATOM 653 N PRO A 44 13.100 -8.412 -2.617 1.00 0.32 N ATOM 654 CA PRO A 44 11.735 -7.805 -2.420 1.00 60.21 C ATOM 655 C PRO A 44 11.065 -8.149 -1.053 1.00 3.22 C ATOM 656 O PRO A 44 9.989 -7.638 -0.729 1.00 21.10 O ATOM 657 CB PRO A 44 10.914 -8.394 -3.601 1.00 62.25 C ATOM 658 CG PRO A 44 11.612 -9.677 -3.939 1.00 52.34 C ATOM 659 CD PRO A 44 13.085 -9.386 -3.749 1.00 24.40 C ATOM 0 HA PRO A 44 11.791 -6.717 -2.404 1.00 60.21 H new ATOM 0 HB2 PRO A 44 9.877 -8.570 -3.315 1.00 62.25 H new ATOM 0 HB3 PRO A 44 10.899 -7.714 -4.453 1.00 62.25 H new ATOM 0 HG2 PRO A 44 11.283 -10.488 -3.289 1.00 52.34 H new ATOM 0 HG3 PRO A 44 11.400 -9.983 -4.963 1.00 52.34 H new ATOM 0 HD2 PRO A 44 13.646 -10.289 -3.510 1.00 24.40 H new ATOM 0 HD3 PRO A 44 13.531 -8.963 -4.649 1.00 24.40 H new ATOM 667 N HIS A 45 11.692 -9.047 -0.276 1.00 62.02 N ATOM 668 CA HIS A 45 11.244 -9.408 1.089 1.00 12.24 C ATOM 669 C HIS A 45 12.217 -8.867 2.166 1.00 2.24 C ATOM 670 O HIS A 45 11.887 -8.867 3.357 1.00 22.10 O ATOM 671 CB HIS A 45 11.129 -10.940 1.210 1.00 21.22 C ATOM 672 CG HIS A 45 10.059 -11.554 0.353 1.00 71.11 C ATOM 673 ND1 HIS A 45 8.790 -11.794 0.816 1.00 33.13 N ATOM 674 CD2 HIS A 45 10.073 -11.990 -0.928 1.00 14.33 C ATOM 675 CE1 HIS A 45 8.068 -12.345 -0.130 1.00 15.33 C ATOM 676 NE2 HIS A 45 8.823 -12.478 -1.195 1.00 2.35 N ATOM 0 H HIS A 45 12.529 -9.548 -0.574 1.00 62.02 H new ATOM 0 HA HIS A 45 10.269 -8.951 1.257 1.00 12.24 H new ATOM 0 HB2 HIS A 45 12.088 -11.386 0.946 1.00 21.22 H new ATOM 0 HB3 HIS A 45 10.934 -11.196 2.251 1.00 21.22 H new ATOM 0 HD2 HIS A 45 10.911 -11.959 -1.609 1.00 14.33 H new ATOM 0 HE1 HIS A 45 7.032 -12.638 -0.047 1.00 15.33 H new ATOM 0 HE2 HIS A 45 8.525 -12.882 -2.083 1.00 2.35 H new ATOM 685 N THR A 46 13.415 -8.432 1.734 1.00 20.12 N ATOM 686 CA THR A 46 14.481 -7.939 2.634 1.00 20.02 C ATOM 687 C THR A 46 14.332 -6.410 2.891 1.00 21.33 C ATOM 688 O THR A 46 14.390 -5.622 1.936 1.00 15.50 O ATOM 689 CB THR A 46 15.905 -8.222 2.040 1.00 31.14 C ATOM 690 OG1 THR A 46 16.048 -9.619 1.739 1.00 51.22 O ATOM 691 CG2 THR A 46 17.035 -7.797 2.998 1.00 11.24 C ATOM 0 H THR A 46 13.675 -8.411 0.748 1.00 20.12 H new ATOM 0 HA THR A 46 14.376 -8.476 3.577 1.00 20.02 H new ATOM 0 HB THR A 46 15.991 -7.628 1.130 1.00 31.14 H new ATOM 0 HG1 THR A 46 16.940 -9.784 1.367 1.00 51.22 H new ATOM 0 HG21 THR A 46 18.000 -8.014 2.541 1.00 11.24 H new ATOM 0 HG22 THR A 46 16.960 -6.728 3.198 1.00 11.24 H new ATOM 0 HG23 THR A 46 16.945 -8.348 3.934 1.00 11.24 H new ATOM 699 N PRO A 47 14.117 -5.975 4.179 1.00 44.12 N ATOM 700 CA PRO A 47 14.071 -4.531 4.566 1.00 44.31 C ATOM 701 C PRO A 47 15.327 -3.731 4.112 1.00 24.13 C ATOM 702 O PRO A 47 16.459 -4.081 4.466 1.00 64.01 O ATOM 703 CB PRO A 47 13.970 -4.590 6.115 1.00 34.24 C ATOM 704 CG PRO A 47 13.321 -5.908 6.390 1.00 72.25 C ATOM 705 CD PRO A 47 13.876 -6.855 5.356 1.00 42.24 C ATOM 0 HA PRO A 47 13.244 -4.007 4.088 1.00 44.31 H new ATOM 0 HB2 PRO A 47 14.953 -4.525 6.581 1.00 34.24 H new ATOM 0 HB3 PRO A 47 13.376 -3.764 6.507 1.00 34.24 H new ATOM 0 HG2 PRO A 47 13.546 -6.253 7.399 1.00 72.25 H new ATOM 0 HG3 PRO A 47 12.236 -5.835 6.313 1.00 72.25 H new ATOM 0 HD2 PRO A 47 14.796 -7.330 5.698 1.00 42.24 H new ATOM 0 HD3 PRO A 47 13.172 -7.654 5.123 1.00 42.24 H new ATOM 713 N GLY A 48 15.104 -2.674 3.310 1.00 71.33 N ATOM 714 CA GLY A 48 16.193 -1.861 2.729 1.00 1.50 C ATOM 715 C GLY A 48 16.146 -1.800 1.199 1.00 42.52 C ATOM 716 O GLY A 48 16.820 -0.955 0.593 1.00 11.43 O ATOM 0 H GLY A 48 14.170 -2.359 3.046 1.00 71.33 H new ATOM 0 HA2 GLY A 48 16.136 -0.849 3.129 1.00 1.50 H new ATOM 0 HA3 GLY A 48 17.153 -2.273 3.041 1.00 1.50 H new ATOM 720 N ALA A 49 15.348 -2.707 0.586 1.00 43.01 N ATOM 721 CA ALA A 49 15.131 -2.760 -0.884 1.00 13.50 C ATOM 722 C ALA A 49 14.549 -1.439 -1.443 1.00 64.42 C ATOM 723 O ALA A 49 13.714 -0.819 -0.802 1.00 51.24 O ATOM 724 CB ALA A 49 14.176 -3.916 -1.219 1.00 33.44 C ATOM 0 H ALA A 49 14.834 -3.425 1.097 1.00 43.01 H new ATOM 0 HA ALA A 49 16.103 -2.916 -1.351 1.00 13.50 H new ATOM 0 HB1 ALA A 49 14.016 -3.955 -2.297 1.00 33.44 H new ATOM 0 HB2 ALA A 49 14.611 -4.857 -0.882 1.00 33.44 H new ATOM 0 HB3 ALA A 49 13.222 -3.757 -0.717 1.00 33.44 H new ATOM 730 N GLU A 50 15.000 -1.013 -2.637 1.00 30.45 N ATOM 731 CA GLU A 50 14.471 0.211 -3.311 1.00 64.22 C ATOM 732 C GLU A 50 13.786 -0.166 -4.643 1.00 55.10 C ATOM 733 O GLU A 50 14.009 -1.256 -5.174 1.00 0.21 O ATOM 734 CB GLU A 50 15.606 1.246 -3.543 1.00 5.44 C ATOM 735 CG GLU A 50 16.396 1.608 -2.271 1.00 43.41 C ATOM 736 CD GLU A 50 17.466 2.686 -2.491 1.00 11.00 C ATOM 737 OE1 GLU A 50 18.599 2.339 -2.891 1.00 32.23 O ATOM 738 OE2 GLU A 50 17.187 3.883 -2.247 1.00 13.04 O ATOM 0 H GLU A 50 15.730 -1.492 -3.164 1.00 30.45 H new ATOM 0 HA GLU A 50 13.727 0.672 -2.661 1.00 64.22 H new ATOM 0 HB2 GLU A 50 16.297 0.850 -4.287 1.00 5.44 H new ATOM 0 HB3 GLU A 50 15.174 2.155 -3.961 1.00 5.44 H new ATOM 0 HG2 GLU A 50 15.699 1.952 -1.507 1.00 43.41 H new ATOM 0 HG3 GLU A 50 16.874 0.708 -1.884 1.00 43.41 H new ATOM 745 N ARG A 51 12.975 0.756 -5.190 1.00 62.51 N ATOM 746 CA ARG A 51 12.071 0.461 -6.323 1.00 40.53 C ATOM 747 C ARG A 51 11.728 1.755 -7.108 1.00 71.02 C ATOM 748 O ARG A 51 10.952 2.587 -6.643 1.00 33.42 O ATOM 749 CB ARG A 51 10.809 -0.244 -5.765 1.00 13.54 C ATOM 750 CG ARG A 51 9.790 -0.749 -6.808 1.00 1.02 C ATOM 751 CD ARG A 51 8.831 -1.800 -6.208 1.00 40.51 C ATOM 752 NE ARG A 51 7.766 -2.212 -7.137 1.00 61.31 N ATOM 753 CZ ARG A 51 7.864 -3.155 -8.057 1.00 65.31 C ATOM 754 NH1 ARG A 51 8.996 -3.705 -8.350 1.00 74.23 N ATOM 755 NH2 ARG A 51 6.815 -3.503 -8.721 1.00 22.11 N ATOM 0 H ARG A 51 12.925 1.721 -4.864 1.00 62.51 H new ATOM 0 HA ARG A 51 12.559 -0.204 -7.036 1.00 40.53 H new ATOM 0 HB2 ARG A 51 11.130 -1.093 -5.162 1.00 13.54 H new ATOM 0 HB3 ARG A 51 10.299 0.448 -5.095 1.00 13.54 H new ATOM 0 HG2 ARG A 51 9.213 0.093 -7.191 1.00 1.02 H new ATOM 0 HG3 ARG A 51 10.321 -1.183 -7.655 1.00 1.02 H new ATOM 0 HD2 ARG A 51 9.405 -2.678 -5.911 1.00 40.51 H new ATOM 0 HD3 ARG A 51 8.378 -1.394 -5.303 1.00 40.51 H new ATOM 0 HE ARG A 51 6.872 -1.726 -7.064 1.00 61.31 H new ATOM 0 HH11 ARG A 51 9.845 -3.413 -7.866 1.00 74.23 H new ATOM 0 HH12 ARG A 51 9.040 -4.431 -9.065 1.00 74.23 H new ATOM 0 HH21 ARG A 51 5.920 -3.051 -8.534 1.00 22.11 H new ATOM 0 HH22 ARG A 51 6.880 -4.230 -9.433 1.00 22.11 H new ATOM 769 N VAL A 52 12.327 1.917 -8.310 1.00 63.35 N ATOM 770 CA VAL A 52 12.261 3.177 -9.089 1.00 24.32 C ATOM 771 C VAL A 52 11.323 3.033 -10.320 1.00 74.23 C ATOM 772 O VAL A 52 11.620 2.268 -11.246 1.00 64.11 O ATOM 773 CB VAL A 52 13.694 3.640 -9.557 1.00 0.33 C ATOM 774 CG1 VAL A 52 13.646 5.048 -10.204 1.00 14.23 C ATOM 775 CG2 VAL A 52 14.707 3.603 -8.379 1.00 62.15 C ATOM 0 H VAL A 52 12.868 1.182 -8.766 1.00 63.35 H new ATOM 0 HA VAL A 52 11.850 3.939 -8.427 1.00 24.32 H new ATOM 0 HB VAL A 52 14.037 2.937 -10.316 1.00 0.33 H new ATOM 0 HG11 VAL A 52 14.649 5.339 -10.516 1.00 14.23 H new ATOM 0 HG12 VAL A 52 12.987 5.027 -11.072 1.00 14.23 H new ATOM 0 HG13 VAL A 52 13.268 5.769 -9.479 1.00 14.23 H new ATOM 0 HG21 VAL A 52 15.686 3.927 -8.731 1.00 62.15 H new ATOM 0 HG22 VAL A 52 14.367 4.269 -7.586 1.00 62.15 H new ATOM 0 HG23 VAL A 52 14.779 2.586 -7.993 1.00 62.15 H new ATOM 785 N PHE A 53 10.197 3.776 -10.303 1.00 24.02 N ATOM 786 CA PHE A 53 9.143 3.760 -11.361 1.00 13.35 C ATOM 787 C PHE A 53 9.585 4.548 -12.621 1.00 1.14 C ATOM 788 O PHE A 53 9.073 5.638 -12.903 1.00 72.13 O ATOM 789 CB PHE A 53 7.817 4.342 -10.783 1.00 40.21 C ATOM 790 CG PHE A 53 7.253 3.602 -9.567 1.00 43.24 C ATOM 791 CD1 PHE A 53 7.776 3.811 -8.291 1.00 61.42 C ATOM 792 CD2 PHE A 53 6.193 2.708 -9.693 1.00 55.32 C ATOM 793 CE1 PHE A 53 7.264 3.151 -7.195 1.00 72.53 C ATOM 794 CE2 PHE A 53 5.688 2.050 -8.593 1.00 53.12 C ATOM 795 CZ PHE A 53 6.219 2.270 -7.344 1.00 62.11 C ATOM 0 H PHE A 53 9.982 4.420 -9.542 1.00 24.02 H new ATOM 0 HA PHE A 53 8.981 2.727 -11.669 1.00 13.35 H new ATOM 0 HB2 PHE A 53 7.986 5.383 -10.508 1.00 40.21 H new ATOM 0 HB3 PHE A 53 7.064 4.339 -11.571 1.00 40.21 H new ATOM 0 HD1 PHE A 53 8.596 4.502 -8.160 1.00 61.42 H new ATOM 0 HD2 PHE A 53 5.761 2.528 -10.666 1.00 55.32 H new ATOM 0 HE1 PHE A 53 7.685 3.326 -6.216 1.00 72.53 H new ATOM 0 HE2 PHE A 53 4.869 1.356 -8.713 1.00 53.12 H new ATOM 0 HZ PHE A 53 5.817 1.754 -6.485 1.00 62.11 H new ATOM 805 N GLY A 54 10.550 3.985 -13.361 1.00 42.14 N ATOM 806 CA GLY A 54 11.132 4.639 -14.541 1.00 71.11 C ATOM 807 C GLY A 54 12.582 4.220 -14.764 1.00 11.33 C ATOM 808 O GLY A 54 12.962 3.840 -15.879 1.00 35.23 O ATOM 0 H GLY A 54 10.948 3.068 -13.160 1.00 42.14 H new ATOM 0 HA2 GLY A 54 10.542 4.389 -15.423 1.00 71.11 H new ATOM 0 HA3 GLY A 54 11.081 5.721 -14.419 1.00 71.11 H new ATOM 812 N ALA A 55 13.395 4.325 -13.682 1.00 30.24 N ATOM 813 CA ALA A 55 14.798 3.822 -13.627 1.00 2.01 C ATOM 814 C ALA A 55 15.739 4.466 -14.683 1.00 53.44 C ATOM 815 O ALA A 55 16.774 3.890 -15.039 1.00 22.35 O ATOM 816 CB ALA A 55 14.810 2.283 -13.730 1.00 52.12 C ATOM 0 H ALA A 55 13.095 4.765 -12.812 1.00 30.24 H new ATOM 0 HA ALA A 55 15.202 4.126 -12.661 1.00 2.01 H new ATOM 0 HB1 ALA A 55 15.838 1.924 -13.689 1.00 52.12 H new ATOM 0 HB2 ALA A 55 14.244 1.858 -12.901 1.00 52.12 H new ATOM 0 HB3 ALA A 55 14.356 1.978 -14.673 1.00 52.12 H new ATOM 822 N GLY A 56 15.390 5.674 -15.148 1.00 34.33 N ATOM 823 CA GLY A 56 16.158 6.380 -16.190 1.00 0.53 C ATOM 824 C GLY A 56 15.263 7.074 -17.213 1.00 4.43 C ATOM 825 O GLY A 56 15.389 6.847 -18.419 1.00 42.05 O ATOM 0 H GLY A 56 14.574 6.188 -14.817 1.00 34.33 H new ATOM 0 HA2 GLY A 56 16.806 7.119 -15.720 1.00 0.53 H new ATOM 0 HA3 GLY A 56 16.805 5.669 -16.703 1.00 0.53 H new ATOM 829 N THR A 57 14.338 7.911 -16.715 1.00 75.53 N ATOM 830 CA THR A 57 13.431 8.737 -17.543 1.00 61.02 C ATOM 831 C THR A 57 13.655 10.241 -17.190 1.00 22.22 C ATOM 832 O THR A 57 14.811 10.678 -17.111 1.00 11.20 O ATOM 833 CB THR A 57 11.928 8.294 -17.355 1.00 70.14 C ATOM 834 OG1 THR A 57 11.503 8.457 -15.982 1.00 71.45 O ATOM 835 CG2 THR A 57 11.696 6.834 -17.787 1.00 21.23 C ATOM 0 H THR A 57 14.194 8.038 -15.713 1.00 75.53 H new ATOM 0 HA THR A 57 13.660 8.592 -18.599 1.00 61.02 H new ATOM 0 HB THR A 57 11.334 8.943 -17.998 1.00 70.14 H new ATOM 0 HG1 THR A 57 12.237 8.837 -15.455 1.00 71.45 H new ATOM 0 HG21 THR A 57 10.648 6.573 -17.640 1.00 21.23 H new ATOM 0 HG22 THR A 57 11.954 6.721 -18.840 1.00 21.23 H new ATOM 0 HG23 THR A 57 12.322 6.173 -17.187 1.00 21.23 H new ATOM 843 N GLU A 58 12.581 11.048 -17.014 1.00 62.41 N ATOM 844 CA GLU A 58 12.688 12.483 -16.610 1.00 31.24 C ATOM 845 C GLU A 58 11.757 12.821 -15.415 1.00 44.43 C ATOM 846 O GLU A 58 11.766 13.954 -14.926 1.00 2.11 O ATOM 847 CB GLU A 58 12.335 13.393 -17.822 1.00 43.20 C ATOM 848 CG GLU A 58 13.283 13.267 -19.031 1.00 64.23 C ATOM 849 CD GLU A 58 12.777 14.016 -20.275 1.00 65.01 C ATOM 850 OE1 GLU A 58 13.095 15.217 -20.437 1.00 42.10 O ATOM 851 OE2 GLU A 58 12.044 13.414 -21.093 1.00 13.20 O ATOM 0 H GLU A 58 11.620 10.732 -17.145 1.00 62.41 H new ATOM 0 HA GLU A 58 13.715 12.663 -16.291 1.00 31.24 H new ATOM 0 HB2 GLU A 58 11.322 13.160 -18.149 1.00 43.20 H new ATOM 0 HB3 GLU A 58 12.332 14.431 -17.489 1.00 43.20 H new ATOM 0 HG2 GLU A 58 14.265 13.652 -18.757 1.00 64.23 H new ATOM 0 HG3 GLU A 58 13.411 12.213 -19.276 1.00 64.23 H new ATOM 858 N GLU A 59 10.969 11.830 -14.935 1.00 31.31 N ATOM 859 CA GLU A 59 9.862 12.073 -13.971 1.00 21.04 C ATOM 860 C GLU A 59 9.433 10.771 -13.239 1.00 14.43 C ATOM 861 O GLU A 59 8.238 10.481 -13.071 1.00 61.32 O ATOM 862 CB GLU A 59 8.673 12.747 -14.733 1.00 4.33 C ATOM 863 CG GLU A 59 8.197 11.997 -16.001 1.00 22.12 C ATOM 864 CD GLU A 59 7.193 12.823 -16.828 1.00 41.23 C ATOM 865 OE1 GLU A 59 5.975 12.757 -16.548 1.00 2.32 O ATOM 866 OE2 GLU A 59 7.625 13.576 -17.734 1.00 1.23 O ATOM 0 H GLU A 59 11.078 10.851 -15.199 1.00 31.31 H new ATOM 0 HA GLU A 59 10.207 12.747 -13.187 1.00 21.04 H new ATOM 0 HB2 GLU A 59 7.830 12.842 -14.048 1.00 4.33 H new ATOM 0 HB3 GLU A 59 8.969 13.757 -15.017 1.00 4.33 H new ATOM 0 HG2 GLU A 59 9.060 11.752 -16.621 1.00 22.12 H new ATOM 0 HG3 GLU A 59 7.735 11.053 -15.710 1.00 22.12 H new ATOM 873 N GLU A 60 10.438 10.026 -12.754 1.00 22.03 N ATOM 874 CA GLU A 60 10.229 8.757 -12.020 1.00 22.34 C ATOM 875 C GLU A 60 10.017 8.992 -10.502 1.00 60.34 C ATOM 876 O GLU A 60 10.509 9.967 -9.929 1.00 24.23 O ATOM 877 CB GLU A 60 11.418 7.772 -12.244 1.00 34.44 C ATOM 878 CG GLU A 60 12.840 8.348 -11.978 1.00 44.11 C ATOM 879 CD GLU A 60 13.579 8.761 -13.267 1.00 31.23 C ATOM 880 OE1 GLU A 60 13.186 9.769 -13.897 1.00 21.14 O ATOM 881 OE2 GLU A 60 14.528 8.064 -13.671 1.00 2.04 O ATOM 0 H GLU A 60 11.420 10.281 -12.857 1.00 22.03 H new ATOM 0 HA GLU A 60 9.320 8.310 -12.423 1.00 22.34 H new ATOM 0 HB2 GLU A 60 11.272 6.905 -11.600 1.00 34.44 H new ATOM 0 HB3 GLU A 60 11.379 7.414 -13.273 1.00 34.44 H new ATOM 0 HG2 GLU A 60 12.757 9.214 -11.321 1.00 44.11 H new ATOM 0 HG3 GLU A 60 13.434 7.602 -11.449 1.00 44.11 H new ATOM 888 N LEU A 61 9.281 8.066 -9.873 1.00 21.35 N ATOM 889 CA LEU A 61 9.074 8.034 -8.413 1.00 64.32 C ATOM 890 C LEU A 61 10.065 7.026 -7.790 1.00 71.54 C ATOM 891 O LEU A 61 10.216 5.917 -8.302 1.00 72.04 O ATOM 892 CB LEU A 61 7.608 7.622 -8.097 1.00 21.35 C ATOM 893 CG LEU A 61 7.229 7.507 -6.582 1.00 33.20 C ATOM 894 CD1 LEU A 61 7.326 8.869 -5.857 1.00 73.12 C ATOM 895 CD2 LEU A 61 5.833 6.867 -6.403 1.00 44.44 C ATOM 0 H LEU A 61 8.807 7.309 -10.365 1.00 21.35 H new ATOM 0 HA LEU A 61 9.251 9.023 -7.990 1.00 64.32 H new ATOM 0 HB2 LEU A 61 6.941 8.348 -8.562 1.00 21.35 H new ATOM 0 HB3 LEU A 61 7.413 6.660 -8.572 1.00 21.35 H new ATOM 0 HG LEU A 61 7.960 6.847 -6.114 1.00 33.20 H new ATOM 0 HD11 LEU A 61 7.055 8.743 -4.809 1.00 73.12 H new ATOM 0 HD12 LEU A 61 8.347 9.246 -5.925 1.00 73.12 H new ATOM 0 HD13 LEU A 61 6.645 9.580 -6.325 1.00 73.12 H new ATOM 0 HD21 LEU A 61 5.597 6.800 -5.341 1.00 44.44 H new ATOM 0 HD22 LEU A 61 5.084 7.481 -6.903 1.00 44.44 H new ATOM 0 HD23 LEU A 61 5.832 5.868 -6.838 1.00 44.44 H new ATOM 907 N VAL A 62 10.765 7.410 -6.710 1.00 2.43 N ATOM 908 CA VAL A 62 11.658 6.479 -5.978 1.00 53.52 C ATOM 909 C VAL A 62 10.972 6.006 -4.677 1.00 1.10 C ATOM 910 O VAL A 62 10.672 6.813 -3.796 1.00 45.35 O ATOM 911 CB VAL A 62 13.061 7.116 -5.664 1.00 24.41 C ATOM 912 CG1 VAL A 62 14.003 6.107 -4.944 1.00 75.43 C ATOM 913 CG2 VAL A 62 13.716 7.678 -6.958 1.00 2.15 C ATOM 0 H VAL A 62 10.734 8.352 -6.321 1.00 2.43 H new ATOM 0 HA VAL A 62 11.840 5.621 -6.625 1.00 53.52 H new ATOM 0 HB VAL A 62 12.900 7.949 -4.979 1.00 24.41 H new ATOM 0 HG11 VAL A 62 14.962 6.584 -4.744 1.00 75.43 H new ATOM 0 HG12 VAL A 62 13.550 5.794 -4.003 1.00 75.43 H new ATOM 0 HG13 VAL A 62 14.157 5.235 -5.580 1.00 75.43 H new ATOM 0 HG21 VAL A 62 14.685 8.113 -6.716 1.00 2.15 H new ATOM 0 HG22 VAL A 62 13.851 6.871 -7.678 1.00 2.15 H new ATOM 0 HG23 VAL A 62 13.072 8.444 -7.389 1.00 2.15 H new ATOM 923 N GLU A 63 10.718 4.694 -4.606 1.00 64.12 N ATOM 924 CA GLU A 63 10.087 4.003 -3.456 1.00 4.12 C ATOM 925 C GLU A 63 11.144 3.122 -2.733 1.00 0.04 C ATOM 926 O GLU A 63 12.130 2.721 -3.348 1.00 75.02 O ATOM 927 CB GLU A 63 8.916 3.147 -4.009 1.00 40.12 C ATOM 928 CG GLU A 63 8.022 2.441 -2.970 1.00 23.05 C ATOM 929 CD GLU A 63 6.895 1.605 -3.624 1.00 71.14 C ATOM 930 OE1 GLU A 63 7.202 0.547 -4.232 1.00 72.15 O ATOM 931 OE2 GLU A 63 5.709 2.001 -3.542 1.00 32.22 O ATOM 0 H GLU A 63 10.950 4.056 -5.367 1.00 64.12 H new ATOM 0 HA GLU A 63 9.703 4.716 -2.727 1.00 4.12 H new ATOM 0 HB2 GLU A 63 8.284 3.791 -4.620 1.00 40.12 H new ATOM 0 HB3 GLU A 63 9.333 2.388 -4.671 1.00 40.12 H new ATOM 0 HG2 GLU A 63 8.638 1.791 -2.348 1.00 23.05 H new ATOM 0 HG3 GLU A 63 7.580 3.187 -2.310 1.00 23.05 H new ATOM 938 N ARG A 64 10.951 2.843 -1.430 1.00 62.42 N ATOM 939 CA ARG A 64 11.911 2.052 -0.625 1.00 23.53 C ATOM 940 C ARG A 64 11.217 1.298 0.538 1.00 53.14 C ATOM 941 O ARG A 64 10.526 1.902 1.362 1.00 30.20 O ATOM 942 CB ARG A 64 13.050 2.950 -0.068 1.00 1.22 C ATOM 943 CG ARG A 64 14.167 2.159 0.654 1.00 62.44 C ATOM 944 CD ARG A 64 15.352 3.029 1.097 1.00 74.11 C ATOM 945 NE ARG A 64 16.486 2.196 1.540 1.00 62.55 N ATOM 946 CZ ARG A 64 17.269 2.440 2.566 1.00 34.21 C ATOM 947 NH1 ARG A 64 17.071 3.462 3.346 1.00 53.33 N ATOM 948 NH2 ARG A 64 18.248 1.639 2.815 1.00 52.31 N ATOM 0 H ARG A 64 10.133 3.155 -0.906 1.00 62.42 H new ATOM 0 HA ARG A 64 12.342 1.309 -1.297 1.00 23.53 H new ATOM 0 HB2 ARG A 64 13.490 3.515 -0.889 1.00 1.22 H new ATOM 0 HB3 ARG A 64 12.623 3.675 0.625 1.00 1.22 H new ATOM 0 HG2 ARG A 64 13.743 1.665 1.529 1.00 62.44 H new ATOM 0 HG3 ARG A 64 14.532 1.375 -0.009 1.00 62.44 H new ATOM 0 HD2 ARG A 64 15.667 3.668 0.272 1.00 74.11 H new ATOM 0 HD3 ARG A 64 15.041 3.687 1.909 1.00 74.11 H new ATOM 0 HE ARG A 64 16.680 1.353 1.000 1.00 62.55 H new ATOM 0 HH11 ARG A 64 16.293 4.097 3.167 1.00 53.33 H new ATOM 0 HH12 ARG A 64 17.694 3.629 4.136 1.00 53.33 H new ATOM 0 HH21 ARG A 64 18.407 0.827 2.218 1.00 52.31 H new ATOM 0 HH22 ARG A 64 18.863 1.817 3.609 1.00 52.31 H new ATOM 962 N LEU A 65 11.439 -0.024 0.577 1.00 0.30 N ATOM 963 CA LEU A 65 11.021 -0.921 1.672 1.00 3.34 C ATOM 964 C LEU A 65 11.794 -0.611 2.981 1.00 53.54 C ATOM 965 O LEU A 65 13.026 -0.669 3.013 1.00 33.35 O ATOM 966 CB LEU A 65 11.254 -2.393 1.222 1.00 11.21 C ATOM 967 CG LEU A 65 10.902 -3.521 2.245 1.00 23.54 C ATOM 968 CD1 LEU A 65 9.466 -3.369 2.766 1.00 23.43 C ATOM 969 CD2 LEU A 65 11.120 -4.923 1.619 1.00 1.34 C ATOM 0 H LEU A 65 11.928 -0.515 -0.172 1.00 0.30 H new ATOM 0 HA LEU A 65 9.963 -0.764 1.885 1.00 3.34 H new ATOM 0 HB2 LEU A 65 10.671 -2.565 0.317 1.00 11.21 H new ATOM 0 HB3 LEU A 65 12.304 -2.500 0.950 1.00 11.21 H new ATOM 0 HG LEU A 65 11.576 -3.422 3.096 1.00 23.54 H new ATOM 0 HD11 LEU A 65 9.250 -4.168 3.476 1.00 23.43 H new ATOM 0 HD12 LEU A 65 9.359 -2.404 3.262 1.00 23.43 H new ATOM 0 HD13 LEU A 65 8.768 -3.427 1.931 1.00 23.43 H new ATOM 0 HD21 LEU A 65 10.868 -5.691 2.350 1.00 1.34 H new ATOM 0 HD22 LEU A 65 10.482 -5.033 0.742 1.00 1.34 H new ATOM 0 HD23 LEU A 65 12.164 -5.031 1.324 1.00 1.34 H new ATOM 981 N VAL A 66 11.048 -0.265 4.047 1.00 50.23 N ATOM 982 CA VAL A 66 11.618 0.012 5.389 1.00 10.10 C ATOM 983 C VAL A 66 11.727 -1.291 6.221 1.00 55.14 C ATOM 984 O VAL A 66 12.789 -1.607 6.768 1.00 23.10 O ATOM 985 CB VAL A 66 10.739 1.074 6.167 1.00 12.15 C ATOM 986 CG1 VAL A 66 11.259 1.322 7.610 1.00 21.10 C ATOM 987 CG2 VAL A 66 10.649 2.404 5.372 1.00 13.52 C ATOM 0 H VAL A 66 10.033 -0.168 4.007 1.00 50.23 H new ATOM 0 HA VAL A 66 12.618 0.422 5.246 1.00 10.10 H new ATOM 0 HB VAL A 66 9.736 0.657 6.257 1.00 12.15 H new ATOM 0 HG11 VAL A 66 10.624 2.058 8.104 1.00 21.10 H new ATOM 0 HG12 VAL A 66 11.236 0.388 8.171 1.00 21.10 H new ATOM 0 HG13 VAL A 66 12.282 1.695 7.569 1.00 21.10 H new ATOM 0 HG21 VAL A 66 10.040 3.119 5.926 1.00 13.52 H new ATOM 0 HG22 VAL A 66 11.650 2.812 5.231 1.00 13.52 H new ATOM 0 HG23 VAL A 66 10.194 2.217 4.400 1.00 13.52 H new ATOM 997 N GLU A 67 10.611 -2.033 6.286 1.00 12.30 N ATOM 998 CA GLU A 67 10.459 -3.249 7.115 1.00 74.01 C ATOM 999 C GLU A 67 9.423 -4.201 6.471 1.00 0.40 C ATOM 1000 O GLU A 67 8.415 -3.746 5.929 1.00 3.04 O ATOM 1001 CB GLU A 67 10.013 -2.846 8.552 1.00 62.41 C ATOM 1002 CG GLU A 67 9.772 -4.026 9.516 1.00 30.43 C ATOM 1003 CD GLU A 67 9.247 -3.592 10.893 1.00 52.33 C ATOM 1004 OE1 GLU A 67 8.011 -3.487 11.072 1.00 24.43 O ATOM 1005 OE2 GLU A 67 10.069 -3.345 11.804 1.00 44.24 O ATOM 0 H GLU A 67 9.770 -1.804 5.756 1.00 12.30 H new ATOM 0 HA GLU A 67 11.414 -3.770 7.175 1.00 74.01 H new ATOM 0 HB2 GLU A 67 10.773 -2.194 8.983 1.00 62.41 H new ATOM 0 HB3 GLU A 67 9.096 -2.262 8.481 1.00 62.41 H new ATOM 0 HG2 GLU A 67 9.058 -4.715 9.064 1.00 30.43 H new ATOM 0 HG3 GLU A 67 10.705 -4.574 9.647 1.00 30.43 H new ATOM 1012 N ARG A 68 9.664 -5.520 6.542 1.00 14.11 N ATOM 1013 CA ARG A 68 8.743 -6.540 5.987 1.00 2.13 C ATOM 1014 C ARG A 68 8.557 -7.667 7.030 1.00 2.13 C ATOM 1015 O ARG A 68 9.497 -8.420 7.313 1.00 34.43 O ATOM 1016 CB ARG A 68 9.302 -7.066 4.616 1.00 61.10 C ATOM 1017 CG ARG A 68 8.287 -7.813 3.688 1.00 23.43 C ATOM 1018 CD ARG A 68 7.958 -9.257 4.131 1.00 51.25 C ATOM 1019 NE ARG A 68 7.003 -9.927 3.223 1.00 42.13 N ATOM 1020 CZ ARG A 68 6.676 -11.203 3.268 1.00 12.11 C ATOM 1021 NH1 ARG A 68 7.226 -12.019 4.112 1.00 73.11 N ATOM 1022 NH2 ARG A 68 5.802 -11.664 2.439 1.00 34.13 N ATOM 0 H ARG A 68 10.496 -5.913 6.982 1.00 14.11 H new ATOM 0 HA ARG A 68 7.762 -6.110 5.785 1.00 2.13 H new ATOM 0 HB2 ARG A 68 9.707 -6.217 4.065 1.00 61.10 H new ATOM 0 HB3 ARG A 68 10.134 -7.739 4.823 1.00 61.10 H new ATOM 0 HG2 ARG A 68 7.361 -7.239 3.647 1.00 23.43 H new ATOM 0 HG3 ARG A 68 8.691 -7.840 2.676 1.00 23.43 H new ATOM 0 HD2 ARG A 68 8.879 -9.838 4.176 1.00 51.25 H new ATOM 0 HD3 ARG A 68 7.543 -9.238 5.139 1.00 51.25 H new ATOM 0 HE ARG A 68 6.561 -9.355 2.503 1.00 42.13 H new ATOM 0 HH11 ARG A 68 7.932 -11.678 4.765 1.00 73.11 H new ATOM 0 HH12 ARG A 68 6.953 -13.002 4.124 1.00 73.11 H new ATOM 0 HH21 ARG A 68 5.370 -11.042 1.756 1.00 34.13 H new ATOM 0 HH22 ARG A 68 5.543 -12.650 2.467 1.00 34.13 H new ATOM 1036 N ASP A 69 7.338 -7.764 7.597 1.00 34.33 N ATOM 1037 CA ASP A 69 6.983 -8.780 8.619 1.00 35.05 C ATOM 1038 C ASP A 69 5.863 -9.719 8.094 1.00 71.45 C ATOM 1039 O ASP A 69 4.788 -9.260 7.708 1.00 3.50 O ATOM 1040 CB ASP A 69 6.557 -8.089 9.940 1.00 63.14 C ATOM 1041 CG ASP A 69 6.420 -9.097 11.092 1.00 43.33 C ATOM 1042 OD1 ASP A 69 7.434 -9.376 11.773 1.00 11.21 O ATOM 1043 OD2 ASP A 69 5.323 -9.653 11.293 1.00 13.41 O ATOM 0 H ASP A 69 6.567 -7.140 7.361 1.00 34.33 H new ATOM 0 HA ASP A 69 7.863 -9.391 8.822 1.00 35.05 H new ATOM 0 HB2 ASP A 69 7.292 -7.330 10.207 1.00 63.14 H new ATOM 0 HB3 ASP A 69 5.607 -7.575 9.792 1.00 63.14 H new ATOM 1048 N GLU A 70 6.117 -11.040 8.133 1.00 51.11 N ATOM 1049 CA GLU A 70 5.232 -12.057 7.518 1.00 1.33 C ATOM 1050 C GLU A 70 4.151 -12.591 8.486 1.00 44.24 C ATOM 1051 O GLU A 70 2.999 -12.801 8.084 1.00 43.24 O ATOM 1052 CB GLU A 70 6.098 -13.221 6.977 1.00 0.54 C ATOM 1053 CG GLU A 70 5.321 -14.311 6.212 1.00 44.43 C ATOM 1054 CD GLU A 70 6.234 -15.268 5.437 1.00 73.33 C ATOM 1055 OE1 GLU A 70 6.707 -16.269 6.027 1.00 25.14 O ATOM 1056 OE2 GLU A 70 6.496 -15.008 4.238 1.00 41.55 O ATOM 0 H GLU A 70 6.939 -11.436 8.590 1.00 51.11 H new ATOM 0 HA GLU A 70 4.693 -11.573 6.703 1.00 1.33 H new ATOM 0 HB2 GLU A 70 6.861 -12.809 6.317 1.00 0.54 H new ATOM 0 HB3 GLU A 70 6.618 -13.687 7.814 1.00 0.54 H new ATOM 0 HG2 GLU A 70 4.720 -14.884 6.918 1.00 44.43 H new ATOM 0 HG3 GLU A 70 4.629 -13.835 5.517 1.00 44.43 H new ATOM 1063 N SER A 71 4.532 -12.815 9.756 1.00 62.31 N ATOM 1064 CA SER A 71 3.638 -13.440 10.770 1.00 51.21 C ATOM 1065 C SER A 71 2.443 -12.526 11.129 1.00 60.02 C ATOM 1066 O SER A 71 1.301 -12.989 11.226 1.00 60.12 O ATOM 1067 CB SER A 71 4.437 -13.804 12.041 1.00 60.10 C ATOM 1068 OG SER A 71 5.022 -12.659 12.633 1.00 40.12 O ATOM 0 H SER A 71 5.456 -12.574 10.114 1.00 62.31 H new ATOM 0 HA SER A 71 3.232 -14.351 10.330 1.00 51.21 H new ATOM 0 HB2 SER A 71 3.777 -14.289 12.760 1.00 60.10 H new ATOM 0 HB3 SER A 71 5.217 -14.523 11.788 1.00 60.10 H new ATOM 0 HG SER A 71 5.519 -12.923 13.435 1.00 40.12 H new ATOM 1074 N ALA A 72 2.718 -11.225 11.316 1.00 40.25 N ATOM 1075 CA ALA A 72 1.669 -10.203 11.575 1.00 65.23 C ATOM 1076 C ALA A 72 1.087 -9.621 10.261 1.00 53.53 C ATOM 1077 O ALA A 72 0.222 -8.733 10.313 1.00 25.22 O ATOM 1078 CB ALA A 72 2.231 -9.078 12.462 1.00 14.01 C ATOM 0 H ALA A 72 3.664 -10.845 11.294 1.00 40.25 H new ATOM 0 HA ALA A 72 0.851 -10.697 12.099 1.00 65.23 H new ATOM 0 HB1 ALA A 72 1.454 -8.336 12.645 1.00 14.01 H new ATOM 0 HB2 ALA A 72 2.564 -9.496 13.412 1.00 14.01 H new ATOM 0 HB3 ALA A 72 3.074 -8.604 11.959 1.00 14.01 H new ATOM 1084 N ARG A 73 1.585 -10.123 9.097 1.00 53.34 N ATOM 1085 CA ARG A 73 1.078 -9.767 7.744 1.00 34.04 C ATOM 1086 C ARG A 73 1.207 -8.252 7.448 1.00 54.15 C ATOM 1087 O ARG A 73 0.375 -7.669 6.752 1.00 52.33 O ATOM 1088 CB ARG A 73 -0.391 -10.254 7.581 1.00 41.32 C ATOM 1089 CG ARG A 73 -0.586 -11.779 7.743 1.00 11.20 C ATOM 1090 CD ARG A 73 0.100 -12.583 6.633 1.00 41.43 C ATOM 1091 NE ARG A 73 0.024 -14.035 6.861 1.00 53.13 N ATOM 1092 CZ ARG A 73 -0.858 -14.853 6.333 1.00 60.01 C ATOM 1093 NH1 ARG A 73 -1.816 -14.423 5.575 1.00 51.41 N ATOM 1094 NH2 ARG A 73 -0.765 -16.115 6.577 1.00 54.10 N ATOM 0 H ARG A 73 2.355 -10.791 9.073 1.00 53.34 H new ATOM 0 HA ARG A 73 1.701 -10.277 7.009 1.00 34.04 H new ATOM 0 HB2 ARG A 73 -1.013 -9.742 8.315 1.00 41.32 H new ATOM 0 HB3 ARG A 73 -0.751 -9.958 6.596 1.00 41.32 H new ATOM 0 HG2 ARG A 73 -0.191 -12.091 8.710 1.00 11.20 H new ATOM 0 HG3 ARG A 73 -1.652 -12.007 7.746 1.00 11.20 H new ATOM 0 HD2 ARG A 73 -0.363 -12.344 5.676 1.00 41.43 H new ATOM 0 HD3 ARG A 73 1.146 -12.283 6.565 1.00 41.43 H new ATOM 0 HE ARG A 73 0.719 -14.443 7.486 1.00 53.13 H new ATOM 0 HH11 ARG A 73 -1.900 -13.426 5.375 1.00 51.41 H new ATOM 0 HH12 ARG A 73 -2.487 -15.081 5.178 1.00 51.41 H new ATOM 0 HH21 ARG A 73 -0.015 -16.465 7.172 1.00 54.10 H new ATOM 0 HH22 ARG A 73 -1.442 -16.763 6.175 1.00 54.10 H new ATOM 1108 N ARG A 74 2.318 -7.661 7.907 1.00 64.34 N ATOM 1109 CA ARG A 74 2.540 -6.201 7.903 1.00 63.41 C ATOM 1110 C ARG A 74 3.708 -5.800 6.963 1.00 34.32 C ATOM 1111 O ARG A 74 4.836 -6.264 7.128 1.00 51.34 O ATOM 1112 CB ARG A 74 2.828 -5.744 9.353 1.00 33.24 C ATOM 1113 CG ARG A 74 3.145 -4.241 9.508 1.00 64.41 C ATOM 1114 CD ARG A 74 3.359 -3.842 10.970 1.00 23.15 C ATOM 1115 NE ARG A 74 2.137 -4.035 11.770 1.00 13.02 N ATOM 1116 CZ ARG A 74 2.095 -4.214 13.067 1.00 71.12 C ATOM 1117 NH1 ARG A 74 3.182 -4.263 13.776 1.00 11.21 N ATOM 1118 NH2 ARG A 74 0.947 -4.351 13.643 1.00 2.22 N ATOM 0 H ARG A 74 3.100 -8.186 8.297 1.00 64.34 H new ATOM 0 HA ARG A 74 1.645 -5.707 7.524 1.00 63.41 H new ATOM 0 HB2 ARG A 74 1.964 -5.984 9.973 1.00 33.24 H new ATOM 0 HB3 ARG A 74 3.669 -6.320 9.740 1.00 33.24 H new ATOM 0 HG2 ARG A 74 4.039 -3.999 8.933 1.00 64.41 H new ATOM 0 HG3 ARG A 74 2.328 -3.654 9.089 1.00 64.41 H new ATOM 0 HD2 ARG A 74 4.170 -4.434 11.394 1.00 23.15 H new ATOM 0 HD3 ARG A 74 3.667 -2.798 11.021 1.00 23.15 H new ATOM 0 HE ARG A 74 1.247 -4.029 11.271 1.00 13.02 H new ATOM 0 HH11 ARG A 74 4.091 -4.161 13.324 1.00 11.21 H new ATOM 0 HH12 ARG A 74 3.127 -4.403 14.785 1.00 11.21 H new ATOM 0 HH21 ARG A 74 0.091 -4.319 13.089 1.00 2.22 H new ATOM 0 HH22 ARG A 74 0.896 -4.491 14.652 1.00 2.22 H new ATOM 1132 N LEU A 75 3.421 -4.921 5.988 1.00 60.12 N ATOM 1133 CA LEU A 75 4.410 -4.419 5.006 1.00 42.32 C ATOM 1134 C LEU A 75 4.629 -2.901 5.197 1.00 71.04 C ATOM 1135 O LEU A 75 3.775 -2.114 4.843 1.00 0.42 O ATOM 1136 CB LEU A 75 3.898 -4.716 3.564 1.00 44.24 C ATOM 1137 CG LEU A 75 4.739 -4.112 2.397 1.00 62.45 C ATOM 1138 CD1 LEU A 75 6.189 -4.621 2.427 1.00 22.13 C ATOM 1139 CD2 LEU A 75 4.079 -4.379 1.032 1.00 21.32 C ATOM 0 H LEU A 75 2.488 -4.532 5.854 1.00 60.12 H new ATOM 0 HA LEU A 75 5.363 -4.924 5.161 1.00 42.32 H new ATOM 0 HB2 LEU A 75 3.855 -5.797 3.432 1.00 44.24 H new ATOM 0 HB3 LEU A 75 2.877 -4.343 3.479 1.00 44.24 H new ATOM 0 HG LEU A 75 4.769 -3.032 2.541 1.00 62.45 H new ATOM 0 HD11 LEU A 75 6.746 -4.180 1.600 1.00 22.13 H new ATOM 0 HD12 LEU A 75 6.655 -4.337 3.371 1.00 22.13 H new ATOM 0 HD13 LEU A 75 6.196 -5.707 2.331 1.00 22.13 H new ATOM 0 HD21 LEU A 75 4.691 -3.945 0.241 1.00 21.32 H new ATOM 0 HD22 LEU A 75 3.991 -5.454 0.874 1.00 21.32 H new ATOM 0 HD23 LEU A 75 3.087 -3.927 1.013 1.00 21.32 H new ATOM 1151 N VAL A 76 5.796 -2.506 5.721 1.00 55.21 N ATOM 1152 CA VAL A 76 6.122 -1.086 6.020 1.00 61.01 C ATOM 1153 C VAL A 76 7.133 -0.541 4.981 1.00 32.34 C ATOM 1154 O VAL A 76 8.219 -1.089 4.822 1.00 13.22 O ATOM 1155 CB VAL A 76 6.716 -0.931 7.472 1.00 60.45 C ATOM 1156 CG1 VAL A 76 7.013 0.557 7.819 1.00 62.23 C ATOM 1157 CG2 VAL A 76 5.780 -1.579 8.525 1.00 4.50 C ATOM 0 H VAL A 76 6.548 -3.154 5.954 1.00 55.21 H new ATOM 0 HA VAL A 76 5.198 -0.511 5.964 1.00 61.01 H new ATOM 0 HB VAL A 76 7.668 -1.461 7.495 1.00 60.45 H new ATOM 0 HG11 VAL A 76 7.421 0.621 8.828 1.00 62.23 H new ATOM 0 HG12 VAL A 76 7.736 0.959 7.109 1.00 62.23 H new ATOM 0 HG13 VAL A 76 6.090 1.135 7.764 1.00 62.23 H new ATOM 0 HG21 VAL A 76 6.212 -1.459 9.519 1.00 4.50 H new ATOM 0 HG22 VAL A 76 4.804 -1.094 8.492 1.00 4.50 H new ATOM 0 HG23 VAL A 76 5.665 -2.640 8.305 1.00 4.50 H new ATOM 1167 N TYR A 77 6.772 0.550 4.291 1.00 14.20 N ATOM 1168 CA TYR A 77 7.638 1.176 3.259 1.00 31.43 C ATOM 1169 C TYR A 77 7.366 2.697 3.127 1.00 44.53 C ATOM 1170 O TYR A 77 6.558 3.263 3.866 1.00 63.35 O ATOM 1171 CB TYR A 77 7.504 0.443 1.894 1.00 13.24 C ATOM 1172 CG TYR A 77 6.126 0.529 1.220 1.00 65.25 C ATOM 1173 CD1 TYR A 77 5.101 -0.353 1.563 1.00 1.55 C ATOM 1174 CD2 TYR A 77 5.857 1.489 0.236 1.00 13.10 C ATOM 1175 CE1 TYR A 77 3.866 -0.283 0.953 1.00 62.21 C ATOM 1176 CE2 TYR A 77 4.624 1.558 -0.377 1.00 21.22 C ATOM 1177 CZ TYR A 77 3.631 0.674 -0.015 1.00 13.14 C ATOM 1178 OH TYR A 77 2.401 0.742 -0.630 1.00 52.21 O ATOM 0 H TYR A 77 5.880 1.027 4.424 1.00 14.20 H new ATOM 0 HA TYR A 77 8.672 1.068 3.587 1.00 31.43 H new ATOM 0 HB2 TYR A 77 8.248 0.851 1.210 1.00 13.24 H new ATOM 0 HB3 TYR A 77 7.750 -0.609 2.042 1.00 13.24 H new ATOM 0 HD1 TYR A 77 5.278 -1.104 2.319 1.00 1.55 H new ATOM 0 HD2 TYR A 77 6.630 2.188 -0.048 1.00 13.10 H new ATOM 0 HE1 TYR A 77 3.085 -0.975 1.231 1.00 62.21 H new ATOM 0 HE2 TYR A 77 4.437 2.302 -1.138 1.00 21.22 H new ATOM 0 HH TYR A 77 1.923 1.538 -0.318 1.00 52.21 H new ATOM 1188 N THR A 78 8.086 3.345 2.196 1.00 54.41 N ATOM 1189 CA THR A 78 8.070 4.817 2.006 1.00 24.13 C ATOM 1190 C THR A 78 8.429 5.195 0.557 1.00 22.40 C ATOM 1191 O THR A 78 8.913 4.360 -0.191 1.00 43.31 O ATOM 1192 CB THR A 78 9.104 5.513 2.960 1.00 31.25 C ATOM 1193 OG1 THR A 78 9.055 6.945 2.803 1.00 21.30 O ATOM 1194 CG2 THR A 78 10.549 5.036 2.718 1.00 61.21 C ATOM 0 H THR A 78 8.704 2.862 1.544 1.00 54.41 H new ATOM 0 HA THR A 78 7.060 5.156 2.236 1.00 24.13 H new ATOM 0 HB THR A 78 8.819 5.234 3.974 1.00 31.25 H new ATOM 0 HG1 THR A 78 8.275 7.300 3.278 1.00 21.30 H new ATOM 0 HG21 THR A 78 11.222 5.550 3.405 1.00 61.21 H new ATOM 0 HG22 THR A 78 10.610 3.961 2.886 1.00 61.21 H new ATOM 0 HG23 THR A 78 10.839 5.260 1.691 1.00 61.21 H new ATOM 1202 N MET A 79 8.153 6.445 0.151 1.00 64.24 N ATOM 1203 CA MET A 79 8.799 7.054 -1.035 1.00 53.45 C ATOM 1204 C MET A 79 9.830 8.117 -0.559 1.00 1.14 C ATOM 1205 O MET A 79 9.433 9.216 -0.161 1.00 41.15 O ATOM 1206 CB MET A 79 7.757 7.684 -2.003 1.00 1.21 C ATOM 1207 CG MET A 79 6.625 6.734 -2.438 1.00 71.30 C ATOM 1208 SD MET A 79 5.319 6.601 -1.197 1.00 43.04 S ATOM 1209 CE MET A 79 4.655 8.272 -1.214 1.00 54.41 C ATOM 0 H MET A 79 7.488 7.058 0.623 1.00 64.24 H new ATOM 0 HA MET A 79 9.311 6.271 -1.595 1.00 53.45 H new ATOM 0 HB2 MET A 79 7.316 8.557 -1.522 1.00 1.21 H new ATOM 0 HB3 MET A 79 8.277 8.039 -2.893 1.00 1.21 H new ATOM 0 HG2 MET A 79 6.197 7.090 -3.375 1.00 71.30 H new ATOM 0 HG3 MET A 79 7.040 5.745 -2.632 1.00 71.30 H new ATOM 0 HE1 MET A 79 3.620 8.256 -0.873 1.00 54.41 H new ATOM 0 HE2 MET A 79 5.245 8.905 -0.551 1.00 54.41 H new ATOM 0 HE3 MET A 79 4.697 8.670 -2.228 1.00 54.41 H new ATOM 1219 N PRO A 80 11.169 7.784 -0.527 1.00 34.44 N ATOM 1220 CA PRO A 80 12.242 8.756 -0.136 1.00 61.43 C ATOM 1221 C PRO A 80 12.355 9.975 -1.098 1.00 41.44 C ATOM 1222 O PRO A 80 12.850 11.038 -0.704 1.00 23.32 O ATOM 1223 CB PRO A 80 13.537 7.887 -0.147 1.00 14.44 C ATOM 1224 CG PRO A 80 13.213 6.730 -1.046 1.00 52.11 C ATOM 1225 CD PRO A 80 11.746 6.442 -0.818 1.00 3.52 C ATOM 0 HA PRO A 80 12.037 9.217 0.830 1.00 61.43 H new ATOM 0 HB2 PRO A 80 14.390 8.453 -0.522 1.00 14.44 H new ATOM 0 HB3 PRO A 80 13.795 7.548 0.856 1.00 14.44 H new ATOM 0 HG2 PRO A 80 13.407 6.977 -2.090 1.00 52.11 H new ATOM 0 HG3 PRO A 80 13.826 5.862 -0.805 1.00 52.11 H new ATOM 0 HD2 PRO A 80 11.285 5.989 -1.695 1.00 3.52 H new ATOM 0 HD3 PRO A 80 11.597 5.752 0.013 1.00 3.52 H new ATOM 1233 N ASP A 81 11.882 9.813 -2.349 1.00 65.10 N ATOM 1234 CA ASP A 81 11.822 10.907 -3.348 1.00 23.25 C ATOM 1235 C ASP A 81 10.366 11.063 -3.882 1.00 64.13 C ATOM 1236 O ASP A 81 10.006 10.465 -4.906 1.00 2.41 O ATOM 1237 CB ASP A 81 12.849 10.620 -4.480 1.00 51.23 C ATOM 1238 CG ASP A 81 12.869 11.674 -5.604 1.00 72.43 C ATOM 1239 OD1 ASP A 81 13.342 12.806 -5.366 1.00 5.24 O ATOM 1240 OD2 ASP A 81 12.427 11.369 -6.738 1.00 53.20 O ATOM 0 H ASP A 81 11.530 8.922 -2.699 1.00 65.10 H new ATOM 0 HA ASP A 81 12.092 11.858 -2.889 1.00 23.25 H new ATOM 0 HB2 ASP A 81 13.845 10.555 -4.042 1.00 51.23 H new ATOM 0 HB3 ASP A 81 12.628 9.646 -4.916 1.00 51.23 H new ATOM 1245 N PRO A 82 9.472 11.795 -3.131 1.00 54.20 N ATOM 1246 CA PRO A 82 8.094 12.106 -3.567 1.00 4.24 C ATOM 1247 C PRO A 82 7.904 13.567 -4.119 1.00 14.25 C ATOM 1248 O PRO A 82 8.535 14.519 -3.630 1.00 52.43 O ATOM 1249 CB PRO A 82 7.323 11.898 -2.243 1.00 52.24 C ATOM 1250 CG PRO A 82 8.274 12.379 -1.162 1.00 10.41 C ATOM 1251 CD PRO A 82 9.691 12.314 -1.752 1.00 72.34 C ATOM 0 HA PRO A 82 7.766 11.493 -4.407 1.00 4.24 H new ATOM 0 HB2 PRO A 82 6.393 12.466 -2.233 1.00 52.24 H new ATOM 0 HB3 PRO A 82 7.058 10.850 -2.100 1.00 52.24 H new ATOM 0 HG2 PRO A 82 8.029 13.396 -0.857 1.00 10.41 H new ATOM 0 HG3 PRO A 82 8.197 11.753 -0.273 1.00 10.41 H new ATOM 0 HD2 PRO A 82 10.166 13.295 -1.763 1.00 72.34 H new ATOM 0 HD3 PRO A 82 10.337 11.654 -1.173 1.00 72.34 H new ATOM 1259 N PRO A 83 7.022 13.767 -5.158 1.00 40.31 N ATOM 1260 CA PRO A 83 6.645 15.130 -5.650 1.00 4.04 C ATOM 1261 C PRO A 83 5.763 15.936 -4.644 1.00 31.45 C ATOM 1262 O PRO A 83 5.628 17.160 -4.764 1.00 71.21 O ATOM 1263 CB PRO A 83 5.866 14.834 -6.968 1.00 2.22 C ATOM 1264 CG PRO A 83 6.190 13.405 -7.307 1.00 62.35 C ATOM 1265 CD PRO A 83 6.377 12.709 -5.979 1.00 13.12 C ATOM 0 HA PRO A 83 7.523 15.761 -5.788 1.00 4.04 H new ATOM 0 HB2 PRO A 83 4.794 14.972 -6.831 1.00 2.22 H new ATOM 0 HB3 PRO A 83 6.175 15.508 -7.767 1.00 2.22 H new ATOM 0 HG2 PRO A 83 5.386 12.946 -7.881 1.00 62.35 H new ATOM 0 HG3 PRO A 83 7.093 13.340 -7.915 1.00 62.35 H new ATOM 0 HD2 PRO A 83 5.428 12.384 -5.552 1.00 13.12 H new ATOM 0 HD3 PRO A 83 7.006 11.823 -6.069 1.00 13.12 H new ATOM 1273 N PHE A 84 5.162 15.223 -3.671 1.00 3.42 N ATOM 1274 CA PHE A 84 4.266 15.813 -2.643 1.00 14.43 C ATOM 1275 C PHE A 84 5.083 16.470 -1.484 1.00 55.12 C ATOM 1276 O PHE A 84 6.229 16.069 -1.239 1.00 64.22 O ATOM 1277 CB PHE A 84 3.338 14.703 -2.071 1.00 11.42 C ATOM 1278 CG PHE A 84 2.478 13.996 -3.117 1.00 22.10 C ATOM 1279 CD1 PHE A 84 1.254 14.535 -3.519 1.00 2.51 C ATOM 1280 CD2 PHE A 84 2.887 12.791 -3.694 1.00 64.45 C ATOM 1281 CE1 PHE A 84 0.473 13.897 -4.467 1.00 62.03 C ATOM 1282 CE2 PHE A 84 2.106 12.154 -4.641 1.00 54.21 C ATOM 1283 CZ PHE A 84 0.897 12.706 -5.024 1.00 12.22 C ATOM 0 H PHE A 84 5.282 14.215 -3.571 1.00 3.42 H new ATOM 0 HA PHE A 84 3.668 16.593 -3.115 1.00 14.43 H new ATOM 0 HB2 PHE A 84 3.952 13.960 -1.562 1.00 11.42 H new ATOM 0 HB3 PHE A 84 2.684 15.145 -1.320 1.00 11.42 H new ATOM 0 HD1 PHE A 84 0.912 15.463 -3.084 1.00 2.51 H new ATOM 0 HD2 PHE A 84 3.827 12.351 -3.396 1.00 64.45 H new ATOM 0 HE1 PHE A 84 -0.468 14.330 -4.771 1.00 62.03 H new ATOM 0 HE2 PHE A 84 2.440 11.226 -5.081 1.00 54.21 H new ATOM 0 HZ PHE A 84 0.284 12.206 -5.759 1.00 12.22 H new ATOM 1293 N PRO A 85 4.500 17.473 -0.733 1.00 42.24 N ATOM 1294 CA PRO A 85 5.162 18.097 0.467 1.00 40.21 C ATOM 1295 C PRO A 85 5.051 17.215 1.751 1.00 32.12 C ATOM 1296 O PRO A 85 4.741 17.706 2.847 1.00 11.42 O ATOM 1297 CB PRO A 85 4.376 19.425 0.610 1.00 3.35 C ATOM 1298 CG PRO A 85 2.993 19.075 0.153 1.00 14.51 C ATOM 1299 CD PRO A 85 3.171 18.102 -0.995 1.00 42.31 C ATOM 0 HA PRO A 85 6.237 18.226 0.343 1.00 40.21 H new ATOM 0 HB2 PRO A 85 4.378 19.782 1.640 1.00 3.35 H new ATOM 0 HB3 PRO A 85 4.811 20.215 -0.002 1.00 3.35 H new ATOM 0 HG2 PRO A 85 2.416 18.625 0.961 1.00 14.51 H new ATOM 0 HG3 PRO A 85 2.451 19.964 -0.169 1.00 14.51 H new ATOM 0 HD2 PRO A 85 2.374 17.358 -1.015 1.00 42.31 H new ATOM 0 HD3 PRO A 85 3.154 18.613 -1.958 1.00 42.31 H new ATOM 1307 N ILE A 86 5.345 15.917 1.601 1.00 22.01 N ATOM 1308 CA ILE A 86 5.265 14.918 2.684 1.00 31.34 C ATOM 1309 C ILE A 86 6.696 14.566 3.182 1.00 35.13 C ATOM 1310 O ILE A 86 7.530 14.065 2.420 1.00 32.24 O ATOM 1311 CB ILE A 86 4.468 13.640 2.196 1.00 20.05 C ATOM 1312 CG1 ILE A 86 5.094 13.024 0.896 1.00 34.04 C ATOM 1313 CG2 ILE A 86 2.974 13.993 1.968 1.00 22.23 C ATOM 1314 CD1 ILE A 86 4.357 11.826 0.321 1.00 12.12 C ATOM 0 H ILE A 86 5.650 15.522 0.712 1.00 22.01 H new ATOM 0 HA ILE A 86 4.715 15.335 3.528 1.00 31.34 H new ATOM 0 HB ILE A 86 4.539 12.886 2.980 1.00 20.05 H new ATOM 0 HG12 ILE A 86 5.141 13.801 0.133 1.00 34.04 H new ATOM 0 HG13 ILE A 86 6.120 12.728 1.113 1.00 34.04 H new ATOM 0 HG21 ILE A 86 2.437 13.105 1.633 1.00 22.23 H new ATOM 0 HG22 ILE A 86 2.538 14.350 2.901 1.00 22.23 H new ATOM 0 HG23 ILE A 86 2.896 14.772 1.210 1.00 22.23 H new ATOM 0 HD11 ILE A 86 4.872 11.478 -0.575 1.00 12.12 H new ATOM 0 HD12 ILE A 86 4.332 11.025 1.060 1.00 12.12 H new ATOM 0 HD13 ILE A 86 3.338 12.115 0.065 1.00 12.12 H new ATOM 1326 N THR A 87 6.980 14.875 4.462 1.00 32.43 N ATOM 1327 CA THR A 87 8.343 14.759 5.041 1.00 70.21 C ATOM 1328 C THR A 87 8.745 13.281 5.320 1.00 31.23 C ATOM 1329 O THR A 87 9.470 12.671 4.526 1.00 22.44 O ATOM 1330 CB THR A 87 8.474 15.629 6.342 1.00 62.42 C ATOM 1331 OG1 THR A 87 7.450 15.260 7.278 1.00 53.12 O ATOM 1332 CG2 THR A 87 8.372 17.139 6.044 1.00 63.51 C ATOM 0 H THR A 87 6.280 15.210 5.124 1.00 32.43 H new ATOM 0 HA THR A 87 9.039 15.142 4.295 1.00 70.21 H new ATOM 0 HB THR A 87 9.460 15.437 6.764 1.00 62.42 H new ATOM 0 HG1 THR A 87 6.724 15.918 7.245 1.00 53.12 H new ATOM 0 HG21 THR A 87 8.468 17.701 6.973 1.00 63.51 H new ATOM 0 HG22 THR A 87 9.170 17.430 5.360 1.00 63.51 H new ATOM 0 HG23 THR A 87 7.406 17.355 5.588 1.00 63.51 H new ATOM 1340 N ASN A 88 8.255 12.710 6.437 1.00 74.03 N ATOM 1341 CA ASN A 88 8.549 11.318 6.846 1.00 70.13 C ATOM 1342 C ASN A 88 7.331 10.414 6.538 1.00 41.13 C ATOM 1343 O ASN A 88 6.574 10.009 7.430 1.00 11.01 O ATOM 1344 CB ASN A 88 8.974 11.269 8.349 1.00 61.43 C ATOM 1345 CG ASN A 88 8.024 12.036 9.287 1.00 44.33 C ATOM 1346 OD1 ASN A 88 7.076 11.487 9.834 1.00 42.41 O ATOM 1347 ND2 ASN A 88 8.275 13.318 9.475 1.00 24.24 N ATOM 0 H ASN A 88 7.641 13.202 7.086 1.00 74.03 H new ATOM 0 HA ASN A 88 9.392 10.934 6.271 1.00 70.13 H new ATOM 0 HB2 ASN A 88 9.024 10.228 8.669 1.00 61.43 H new ATOM 0 HB3 ASN A 88 9.978 11.682 8.447 1.00 61.43 H new ATOM 0 HD21 ASN A 88 7.674 13.871 10.086 1.00 24.24 H new ATOM 0 HD22 ASN A 88 9.070 13.756 9.010 1.00 24.24 H new ATOM 1354 N HIS A 89 7.127 10.136 5.238 1.00 2.14 N ATOM 1355 CA HIS A 89 5.962 9.372 4.764 1.00 11.32 C ATOM 1356 C HIS A 89 6.114 7.856 5.046 1.00 25.32 C ATOM 1357 O HIS A 89 7.044 7.228 4.571 1.00 71.11 O ATOM 1358 CB HIS A 89 5.716 9.608 3.253 1.00 63.21 C ATOM 1359 CG HIS A 89 4.438 8.962 2.768 1.00 72.44 C ATOM 1360 ND1 HIS A 89 4.429 7.708 2.204 1.00 44.34 N ATOM 1361 CD2 HIS A 89 3.165 9.414 2.846 1.00 54.10 C ATOM 1362 CE1 HIS A 89 3.160 7.432 1.962 1.00 33.31 C ATOM 1363 NE2 HIS A 89 2.358 8.437 2.335 1.00 23.15 N ATOM 0 H HIS A 89 7.759 10.432 4.494 1.00 2.14 H new ATOM 0 HA HIS A 89 5.098 9.735 5.321 1.00 11.32 H new ATOM 0 HB2 HIS A 89 5.675 10.680 3.058 1.00 63.21 H new ATOM 0 HB3 HIS A 89 6.558 9.213 2.685 1.00 63.21 H new ATOM 0 HD1 HIS A 89 5.235 7.114 2.012 1.00 44.34 H new ATOM 0 HD2 HIS A 89 2.846 10.368 3.239 1.00 54.10 H new ATOM 0 HE1 HIS A 89 2.813 6.510 1.519 1.00 33.31 H new ATOM 1371 N ARG A 90 5.198 7.289 5.843 1.00 3.23 N ATOM 1372 CA ARG A 90 5.072 5.822 6.052 1.00 31.21 C ATOM 1373 C ARG A 90 3.888 5.296 5.210 1.00 12.05 C ATOM 1374 O ARG A 90 2.942 6.030 4.949 1.00 31.42 O ATOM 1375 CB ARG A 90 4.894 5.484 7.575 1.00 63.41 C ATOM 1376 CG ARG A 90 6.194 5.102 8.361 1.00 53.21 C ATOM 1377 CD ARG A 90 7.256 6.230 8.482 1.00 74.41 C ATOM 1378 NE ARG A 90 7.988 6.474 7.217 1.00 62.14 N ATOM 1379 CZ ARG A 90 9.219 6.910 7.101 1.00 54.32 C ATOM 1380 NH1 ARG A 90 9.991 7.054 8.124 1.00 12.25 N ATOM 1381 NH2 ARG A 90 9.669 7.186 5.926 1.00 13.05 N ATOM 0 H ARG A 90 4.513 7.832 6.370 1.00 3.23 H new ATOM 0 HA ARG A 90 5.986 5.327 5.725 1.00 31.21 H new ATOM 0 HB2 ARG A 90 4.439 6.345 8.065 1.00 63.41 H new ATOM 0 HB3 ARG A 90 4.188 4.658 7.661 1.00 63.41 H new ATOM 0 HG2 ARG A 90 5.911 4.784 9.364 1.00 53.21 H new ATOM 0 HG3 ARG A 90 6.655 4.244 7.872 1.00 53.21 H new ATOM 0 HD2 ARG A 90 6.765 7.152 8.795 1.00 74.41 H new ATOM 0 HD3 ARG A 90 7.969 5.968 9.263 1.00 74.41 H new ATOM 0 HE ARG A 90 7.484 6.284 6.351 1.00 62.14 H new ATOM 0 HH11 ARG A 90 9.649 6.826 9.057 1.00 12.25 H new ATOM 0 HH12 ARG A 90 10.944 7.396 8.000 1.00 12.25 H new ATOM 0 HH21 ARG A 90 9.071 7.064 5.109 1.00 13.05 H new ATOM 0 HH22 ARG A 90 10.624 7.527 5.813 1.00 13.05 H new ATOM 1395 N ALA A 91 3.973 4.031 4.768 1.00 71.03 N ATOM 1396 CA ALA A 91 2.908 3.363 3.987 1.00 12.02 C ATOM 1397 C ALA A 91 2.899 1.862 4.327 1.00 23.21 C ATOM 1398 O ALA A 91 3.900 1.175 4.130 1.00 20.32 O ATOM 1399 CB ALA A 91 3.119 3.592 2.479 1.00 20.10 C ATOM 0 H ALA A 91 4.784 3.437 4.941 1.00 71.03 H new ATOM 0 HA ALA A 91 1.940 3.790 4.250 1.00 12.02 H new ATOM 0 HB1 ALA A 91 2.326 3.094 1.921 1.00 20.10 H new ATOM 0 HB2 ALA A 91 3.095 4.661 2.266 1.00 20.10 H new ATOM 0 HB3 ALA A 91 4.085 3.184 2.181 1.00 20.10 H new ATOM 1405 N VAL A 92 1.772 1.363 4.858 1.00 24.44 N ATOM 1406 CA VAL A 92 1.680 0.008 5.449 1.00 41.51 C ATOM 1407 C VAL A 92 0.528 -0.820 4.820 1.00 21.43 C ATOM 1408 O VAL A 92 -0.599 -0.346 4.734 1.00 32.30 O ATOM 1409 CB VAL A 92 1.482 0.087 7.017 1.00 52.12 C ATOM 1410 CG1 VAL A 92 1.451 -1.321 7.668 1.00 54.34 C ATOM 1411 CG2 VAL A 92 2.570 0.973 7.680 1.00 4.32 C ATOM 0 H VAL A 92 0.895 1.883 4.892 1.00 24.44 H new ATOM 0 HA VAL A 92 2.621 -0.496 5.231 1.00 41.51 H new ATOM 0 HB VAL A 92 0.512 0.552 7.190 1.00 52.12 H new ATOM 0 HG11 VAL A 92 1.313 -1.221 8.745 1.00 54.34 H new ATOM 0 HG12 VAL A 92 0.626 -1.898 7.249 1.00 54.34 H new ATOM 0 HG13 VAL A 92 2.391 -1.835 7.469 1.00 54.34 H new ATOM 0 HG21 VAL A 92 2.405 1.006 8.757 1.00 4.32 H new ATOM 0 HG22 VAL A 92 3.555 0.553 7.476 1.00 4.32 H new ATOM 0 HG23 VAL A 92 2.515 1.983 7.273 1.00 4.32 H new ATOM 1421 N LEU A 93 0.841 -2.067 4.392 1.00 13.32 N ATOM 1422 CA LEU A 93 -0.154 -3.070 3.928 1.00 43.31 C ATOM 1423 C LEU A 93 -0.290 -4.183 4.987 1.00 31.24 C ATOM 1424 O LEU A 93 0.645 -4.961 5.197 1.00 30.43 O ATOM 1425 CB LEU A 93 0.249 -3.703 2.545 1.00 2.20 C ATOM 1426 CG LEU A 93 -0.216 -2.954 1.258 1.00 34.33 C ATOM 1427 CD1 LEU A 93 -1.748 -2.833 1.204 1.00 62.12 C ATOM 1428 CD2 LEU A 93 0.462 -1.589 1.106 1.00 15.03 C ATOM 0 H LEU A 93 1.801 -2.410 4.358 1.00 13.32 H new ATOM 0 HA LEU A 93 -1.107 -2.558 3.792 1.00 43.31 H new ATOM 0 HB2 LEU A 93 1.335 -3.785 2.514 1.00 2.20 H new ATOM 0 HB3 LEU A 93 -0.149 -4.717 2.508 1.00 2.20 H new ATOM 0 HG LEU A 93 0.099 -3.558 0.407 1.00 34.33 H new ATOM 0 HD11 LEU A 93 -2.040 -2.306 0.295 1.00 62.12 H new ATOM 0 HD12 LEU A 93 -2.192 -3.829 1.205 1.00 62.12 H new ATOM 0 HD13 LEU A 93 -2.100 -2.278 2.074 1.00 62.12 H new ATOM 0 HD21 LEU A 93 0.107 -1.106 0.196 1.00 15.03 H new ATOM 0 HD22 LEU A 93 0.220 -0.965 1.966 1.00 15.03 H new ATOM 0 HD23 LEU A 93 1.542 -1.724 1.047 1.00 15.03 H new ATOM 1440 N GLU A 94 -1.450 -4.250 5.650 1.00 2.04 N ATOM 1441 CA GLU A 94 -1.762 -5.323 6.619 1.00 74.12 C ATOM 1442 C GLU A 94 -2.956 -6.160 6.127 1.00 12.22 C ATOM 1443 O GLU A 94 -4.092 -5.678 6.095 1.00 51.41 O ATOM 1444 CB GLU A 94 -2.051 -4.736 8.028 1.00 72.50 C ATOM 1445 CG GLU A 94 -0.832 -4.071 8.692 1.00 1.34 C ATOM 1446 CD GLU A 94 -1.142 -3.485 10.076 1.00 12.11 C ATOM 1447 OE1 GLU A 94 -1.715 -2.379 10.141 1.00 64.03 O ATOM 1448 OE2 GLU A 94 -0.816 -4.124 11.106 1.00 22.25 O ATOM 0 H GLU A 94 -2.200 -3.568 5.535 1.00 2.04 H new ATOM 0 HA GLU A 94 -0.890 -5.972 6.698 1.00 74.12 H new ATOM 0 HB2 GLU A 94 -2.853 -4.002 7.947 1.00 72.50 H new ATOM 0 HB3 GLU A 94 -2.414 -5.534 8.675 1.00 72.50 H new ATOM 0 HG2 GLU A 94 -0.032 -4.806 8.786 1.00 1.34 H new ATOM 0 HG3 GLU A 94 -0.461 -3.277 8.043 1.00 1.34 H new ATOM 1455 N VAL A 95 -2.690 -7.425 5.755 1.00 64.14 N ATOM 1456 CA VAL A 95 -3.741 -8.363 5.330 1.00 75.43 C ATOM 1457 C VAL A 95 -4.192 -9.176 6.562 1.00 41.34 C ATOM 1458 O VAL A 95 -3.489 -10.087 7.009 1.00 11.13 O ATOM 1459 CB VAL A 95 -3.230 -9.328 4.190 1.00 34.40 C ATOM 1460 CG1 VAL A 95 -4.367 -10.251 3.674 1.00 20.11 C ATOM 1461 CG2 VAL A 95 -2.591 -8.527 3.023 1.00 74.23 C ATOM 0 H VAL A 95 -1.750 -7.821 5.741 1.00 64.14 H new ATOM 0 HA VAL A 95 -4.579 -7.800 4.920 1.00 75.43 H new ATOM 0 HB VAL A 95 -2.459 -9.965 4.623 1.00 34.40 H new ATOM 0 HG11 VAL A 95 -3.980 -10.902 2.890 1.00 20.11 H new ATOM 0 HG12 VAL A 95 -4.744 -10.859 4.497 1.00 20.11 H new ATOM 0 HG13 VAL A 95 -5.177 -9.641 3.272 1.00 20.11 H new ATOM 0 HG21 VAL A 95 -2.248 -9.218 2.253 1.00 74.23 H new ATOM 0 HG22 VAL A 95 -3.331 -7.849 2.599 1.00 74.23 H new ATOM 0 HG23 VAL A 95 -1.744 -7.952 3.397 1.00 74.23 H new ATOM 1471 N VAL A 96 -5.379 -8.862 7.092 1.00 64.24 N ATOM 1472 CA VAL A 96 -5.899 -9.490 8.324 1.00 51.54 C ATOM 1473 C VAL A 96 -6.931 -10.595 7.974 1.00 10.11 C ATOM 1474 O VAL A 96 -7.903 -10.330 7.248 1.00 1.01 O ATOM 1475 CB VAL A 96 -6.497 -8.421 9.330 1.00 10.33 C ATOM 1476 CG1 VAL A 96 -5.370 -7.556 9.951 1.00 31.55 C ATOM 1477 CG2 VAL A 96 -7.548 -7.511 8.665 1.00 22.13 C ATOM 0 H VAL A 96 -6.008 -8.169 6.686 1.00 64.24 H new ATOM 0 HA VAL A 96 -5.061 -9.960 8.839 1.00 51.54 H new ATOM 0 HB VAL A 96 -6.997 -8.983 10.119 1.00 10.33 H new ATOM 0 HG11 VAL A 96 -5.805 -6.830 10.638 1.00 31.55 H new ATOM 0 HG12 VAL A 96 -4.676 -8.198 10.493 1.00 31.55 H new ATOM 0 HG13 VAL A 96 -4.836 -7.031 9.159 1.00 31.55 H new ATOM 0 HG21 VAL A 96 -7.926 -6.797 9.397 1.00 22.13 H new ATOM 0 HG22 VAL A 96 -7.090 -6.972 7.835 1.00 22.13 H new ATOM 0 HG23 VAL A 96 -8.372 -8.119 8.292 1.00 22.13 H new ATOM 1487 N PRO A 97 -6.711 -11.872 8.447 1.00 3.14 N ATOM 1488 CA PRO A 97 -7.621 -13.012 8.163 1.00 23.44 C ATOM 1489 C PRO A 97 -8.999 -12.866 8.866 1.00 0.52 C ATOM 1490 O PRO A 97 -9.202 -13.345 9.988 1.00 11.13 O ATOM 1491 CB PRO A 97 -6.828 -14.262 8.662 1.00 3.20 C ATOM 1492 CG PRO A 97 -5.422 -13.771 8.869 1.00 11.32 C ATOM 1493 CD PRO A 97 -5.553 -12.321 9.265 1.00 74.32 C ATOM 0 HA PRO A 97 -7.877 -13.079 7.106 1.00 23.44 H new ATOM 0 HB2 PRO A 97 -7.250 -14.654 9.588 1.00 3.20 H new ATOM 0 HB3 PRO A 97 -6.861 -15.069 7.930 1.00 3.20 H new ATOM 0 HG2 PRO A 97 -4.917 -14.345 9.645 1.00 11.32 H new ATOM 0 HG3 PRO A 97 -4.832 -13.877 7.959 1.00 11.32 H new ATOM 0 HD2 PRO A 97 -5.741 -12.206 10.333 1.00 74.32 H new ATOM 0 HD3 PRO A 97 -4.650 -11.754 9.037 1.00 74.32 H new ATOM 1501 N ARG A 98 -9.916 -12.150 8.196 1.00 64.41 N ATOM 1502 CA ARG A 98 -11.326 -11.975 8.639 1.00 30.44 C ATOM 1503 C ARG A 98 -12.070 -13.343 8.580 1.00 22.13 C ATOM 1504 O ARG A 98 -12.942 -13.646 9.403 1.00 22.22 O ATOM 1505 CB ARG A 98 -12.018 -10.898 7.719 1.00 5.51 C ATOM 1506 CG ARG A 98 -12.824 -9.791 8.445 1.00 13.24 C ATOM 1507 CD ARG A 98 -14.026 -10.313 9.253 1.00 71.34 C ATOM 1508 NE ARG A 98 -14.893 -9.210 9.705 1.00 10.04 N ATOM 1509 CZ ARG A 98 -16.069 -9.338 10.283 1.00 41.42 C ATOM 1510 NH1 ARG A 98 -16.557 -10.499 10.595 1.00 23.51 N ATOM 1511 NH2 ARG A 98 -16.748 -8.277 10.561 1.00 32.15 N ATOM 0 H ARG A 98 -9.707 -11.668 7.322 1.00 64.41 H new ATOM 0 HA ARG A 98 -11.361 -11.625 9.671 1.00 30.44 H new ATOM 0 HB2 ARG A 98 -11.248 -10.420 7.114 1.00 5.51 H new ATOM 0 HB3 ARG A 98 -12.688 -11.415 7.032 1.00 5.51 H new ATOM 0 HG2 ARG A 98 -12.156 -9.252 9.116 1.00 13.24 H new ATOM 0 HG3 ARG A 98 -13.181 -9.073 7.706 1.00 13.24 H new ATOM 0 HD2 ARG A 98 -14.605 -11.005 8.641 1.00 71.34 H new ATOM 0 HD3 ARG A 98 -13.669 -10.874 10.117 1.00 71.34 H new ATOM 0 HE ARG A 98 -14.551 -8.261 9.556 1.00 10.04 H new ATOM 0 HH11 ARG A 98 -16.026 -11.346 10.393 1.00 23.51 H new ATOM 0 HH12 ARG A 98 -17.471 -10.564 11.042 1.00 23.51 H new ATOM 0 HH21 ARG A 98 -16.372 -7.357 10.333 1.00 32.15 H new ATOM 0 HH22 ARG A 98 -17.661 -8.358 11.009 1.00 32.15 H new ATOM 1525 N ASP A 99 -11.657 -14.147 7.597 1.00 43.20 N ATOM 1526 CA ASP A 99 -12.195 -15.481 7.279 1.00 62.44 C ATOM 1527 C ASP A 99 -11.104 -16.274 6.497 1.00 4.31 C ATOM 1528 O ASP A 99 -10.099 -15.687 6.064 1.00 45.21 O ATOM 1529 CB ASP A 99 -13.509 -15.301 6.462 1.00 50.34 C ATOM 1530 CG ASP A 99 -14.086 -16.597 5.876 1.00 4.44 C ATOM 1531 OD1 ASP A 99 -14.602 -17.434 6.647 1.00 45.31 O ATOM 1532 OD2 ASP A 99 -14.007 -16.791 4.642 1.00 62.11 O ATOM 0 H ASP A 99 -10.901 -13.876 6.968 1.00 43.20 H new ATOM 0 HA ASP A 99 -12.440 -16.049 8.177 1.00 62.44 H new ATOM 0 HB2 ASP A 99 -14.261 -14.844 7.106 1.00 50.34 H new ATOM 0 HB3 ASP A 99 -13.320 -14.603 5.647 1.00 50.34 H new ATOM 1537 N ASP A 100 -11.286 -17.600 6.341 1.00 53.42 N ATOM 1538 CA ASP A 100 -10.342 -18.468 5.592 1.00 31.24 C ATOM 1539 C ASP A 100 -10.220 -18.061 4.101 1.00 44.02 C ATOM 1540 O ASP A 100 -9.126 -18.070 3.535 1.00 14.45 O ATOM 1541 CB ASP A 100 -10.787 -19.945 5.691 1.00 51.43 C ATOM 1542 CG ASP A 100 -10.729 -20.468 7.133 1.00 34.51 C ATOM 1543 OD1 ASP A 100 -9.652 -20.936 7.564 1.00 3.44 O ATOM 1544 OD2 ASP A 100 -11.734 -20.365 7.860 1.00 43.23 O ATOM 0 H ASP A 100 -12.086 -18.102 6.727 1.00 53.42 H new ATOM 0 HA ASP A 100 -9.360 -18.342 6.049 1.00 31.24 H new ATOM 0 HB2 ASP A 100 -11.804 -20.044 5.310 1.00 51.43 H new ATOM 0 HB3 ASP A 100 -10.148 -20.559 5.057 1.00 51.43 H new ATOM 1549 N ARG A 101 -11.361 -17.712 3.488 1.00 43.44 N ATOM 1550 CA ARG A 101 -11.443 -17.343 2.053 1.00 71.25 C ATOM 1551 C ARG A 101 -11.712 -15.819 1.859 1.00 13.02 C ATOM 1552 O ARG A 101 -11.792 -15.327 0.730 1.00 23.15 O ATOM 1553 CB ARG A 101 -12.559 -18.198 1.386 1.00 61.34 C ATOM 1554 CG ARG A 101 -12.570 -18.145 -0.157 1.00 74.13 C ATOM 1555 CD ARG A 101 -13.743 -18.907 -0.792 1.00 63.25 C ATOM 1556 NE ARG A 101 -13.769 -18.737 -2.261 1.00 21.44 N ATOM 1557 CZ ARG A 101 -14.810 -18.948 -3.035 1.00 52.21 C ATOM 1558 NH1 ARG A 101 -15.911 -19.434 -2.566 1.00 52.21 N ATOM 1559 NH2 ARG A 101 -14.736 -18.675 -4.296 1.00 75.43 N ATOM 0 H ARG A 101 -12.260 -17.675 3.969 1.00 43.44 H new ATOM 0 HA ARG A 101 -10.484 -17.549 1.577 1.00 71.25 H new ATOM 0 HB2 ARG A 101 -12.442 -19.235 1.700 1.00 61.34 H new ATOM 0 HB3 ARG A 101 -13.527 -17.861 1.755 1.00 61.34 H new ATOM 0 HG2 ARG A 101 -12.610 -17.103 -0.476 1.00 74.13 H new ATOM 0 HG3 ARG A 101 -11.634 -18.558 -0.533 1.00 74.13 H new ATOM 0 HD2 ARG A 101 -13.664 -19.967 -0.549 1.00 63.25 H new ATOM 0 HD3 ARG A 101 -14.682 -18.552 -0.367 1.00 63.25 H new ATOM 0 HE ARG A 101 -12.907 -18.430 -2.711 1.00 21.44 H new ATOM 0 HH11 ARG A 101 -15.986 -19.663 -1.575 1.00 52.21 H new ATOM 0 HH12 ARG A 101 -16.705 -19.589 -3.187 1.00 52.21 H new ATOM 0 HH21 ARG A 101 -13.872 -18.298 -4.686 1.00 75.43 H new ATOM 0 HH22 ARG A 101 -15.541 -18.837 -4.901 1.00 75.43 H new ATOM 1573 N HIS A 102 -11.858 -15.063 2.961 1.00 61.03 N ATOM 1574 CA HIS A 102 -12.119 -13.601 2.905 1.00 10.15 C ATOM 1575 C HIS A 102 -11.179 -12.857 3.871 1.00 21.01 C ATOM 1576 O HIS A 102 -11.156 -13.144 5.062 1.00 0.05 O ATOM 1577 CB HIS A 102 -13.603 -13.293 3.231 1.00 24.13 C ATOM 1578 CG HIS A 102 -14.572 -13.926 2.272 1.00 50.05 C ATOM 1579 ND1 HIS A 102 -15.285 -15.068 2.557 1.00 1.02 N ATOM 1580 CD2 HIS A 102 -14.921 -13.581 1.012 1.00 15.44 C ATOM 1581 CE1 HIS A 102 -16.027 -15.399 1.525 1.00 33.05 C ATOM 1582 NE2 HIS A 102 -15.828 -14.512 0.571 1.00 71.13 N ATOM 0 H HIS A 102 -11.801 -15.436 3.909 1.00 61.03 H new ATOM 0 HA HIS A 102 -11.921 -13.252 1.892 1.00 10.15 H new ATOM 0 HB2 HIS A 102 -13.824 -13.640 4.240 1.00 24.13 H new ATOM 0 HB3 HIS A 102 -13.751 -12.213 3.225 1.00 24.13 H new ATOM 0 HD1 HIS A 102 -15.243 -15.581 3.438 1.00 1.02 H new ATOM 0 HD2 HIS A 102 -14.554 -12.731 0.456 1.00 15.44 H new ATOM 0 HE1 HIS A 102 -16.687 -16.252 1.468 1.00 33.05 H new ATOM 1591 N CYS A 103 -10.420 -11.884 3.354 1.00 15.25 N ATOM 1592 CA CYS A 103 -9.406 -11.146 4.143 1.00 71.23 C ATOM 1593 C CYS A 103 -9.530 -9.632 3.911 1.00 11.33 C ATOM 1594 O CYS A 103 -9.821 -9.188 2.798 1.00 10.21 O ATOM 1595 CB CYS A 103 -7.993 -11.619 3.762 1.00 24.11 C ATOM 1596 SG CYS A 103 -7.552 -11.324 2.033 1.00 62.40 S ATOM 0 H CYS A 103 -10.485 -11.581 2.382 1.00 15.25 H new ATOM 0 HA CYS A 103 -9.580 -11.350 5.199 1.00 71.23 H new ATOM 0 HB2 CYS A 103 -7.269 -11.114 4.401 1.00 24.11 H new ATOM 0 HB3 CYS A 103 -7.911 -12.686 3.969 1.00 24.11 H new ATOM 0 HG CYS A 103 -7.947 -12.327 1.307 1.00 62.40 H new ATOM 1602 N THR A 104 -9.313 -8.847 4.974 1.00 32.32 N ATOM 1603 CA THR A 104 -9.379 -7.377 4.906 1.00 60.14 C ATOM 1604 C THR A 104 -7.964 -6.789 4.735 1.00 11.42 C ATOM 1605 O THR A 104 -7.127 -6.921 5.624 1.00 44.02 O ATOM 1606 CB THR A 104 -10.060 -6.767 6.179 1.00 52.32 C ATOM 1607 OG1 THR A 104 -11.353 -7.360 6.375 1.00 21.05 O ATOM 1608 CG2 THR A 104 -10.221 -5.234 6.075 1.00 23.14 C ATOM 0 H THR A 104 -9.088 -9.208 5.901 1.00 32.32 H new ATOM 0 HA THR A 104 -9.989 -7.114 4.042 1.00 60.14 H new ATOM 0 HB THR A 104 -9.410 -6.984 7.026 1.00 52.32 H new ATOM 0 HG1 THR A 104 -11.772 -6.975 7.173 1.00 21.05 H new ATOM 0 HG21 THR A 104 -10.697 -4.856 6.980 1.00 23.14 H new ATOM 0 HG22 THR A 104 -9.240 -4.772 5.961 1.00 23.14 H new ATOM 0 HG23 THR A 104 -10.839 -4.991 5.211 1.00 23.14 H new ATOM 1616 N VAL A 105 -7.682 -6.153 3.588 1.00 62.31 N ATOM 1617 CA VAL A 105 -6.371 -5.519 3.341 1.00 31.42 C ATOM 1618 C VAL A 105 -6.450 -4.019 3.700 1.00 32.32 C ATOM 1619 O VAL A 105 -7.162 -3.244 3.049 1.00 74.02 O ATOM 1620 CB VAL A 105 -5.890 -5.709 1.859 1.00 70.22 C ATOM 1621 CG1 VAL A 105 -4.449 -5.173 1.659 1.00 61.33 C ATOM 1622 CG2 VAL A 105 -5.991 -7.188 1.437 1.00 41.42 C ATOM 0 H VAL A 105 -8.341 -6.062 2.815 1.00 62.31 H new ATOM 0 HA VAL A 105 -5.634 -6.010 3.976 1.00 31.42 H new ATOM 0 HB VAL A 105 -6.550 -5.125 1.218 1.00 70.22 H new ATOM 0 HG11 VAL A 105 -4.147 -5.320 0.622 1.00 61.33 H new ATOM 0 HG12 VAL A 105 -4.420 -4.110 1.898 1.00 61.33 H new ATOM 0 HG13 VAL A 105 -3.766 -5.712 2.316 1.00 61.33 H new ATOM 0 HG21 VAL A 105 -5.653 -7.296 0.407 1.00 41.42 H new ATOM 0 HG22 VAL A 105 -5.365 -7.796 2.090 1.00 41.42 H new ATOM 0 HG23 VAL A 105 -7.027 -7.519 1.515 1.00 41.42 H new ATOM 1632 N VAL A 106 -5.725 -3.638 4.759 1.00 1.42 N ATOM 1633 CA VAL A 106 -5.740 -2.276 5.320 1.00 23.33 C ATOM 1634 C VAL A 106 -4.469 -1.520 4.881 1.00 41.34 C ATOM 1635 O VAL A 106 -3.351 -1.928 5.218 1.00 20.02 O ATOM 1636 CB VAL A 106 -5.822 -2.307 6.896 1.00 30.35 C ATOM 1637 CG1 VAL A 106 -5.931 -0.876 7.498 1.00 32.14 C ATOM 1638 CG2 VAL A 106 -6.992 -3.210 7.379 1.00 5.10 C ATOM 0 H VAL A 106 -5.103 -4.273 5.259 1.00 1.42 H new ATOM 0 HA VAL A 106 -6.625 -1.762 4.943 1.00 23.33 H new ATOM 0 HB VAL A 106 -4.890 -2.740 7.260 1.00 30.35 H new ATOM 0 HG11 VAL A 106 -5.985 -0.942 8.585 1.00 32.14 H new ATOM 0 HG12 VAL A 106 -5.055 -0.294 7.213 1.00 32.14 H new ATOM 0 HG13 VAL A 106 -6.829 -0.389 7.119 1.00 32.14 H new ATOM 0 HG21 VAL A 106 -7.024 -3.212 8.469 1.00 5.10 H new ATOM 0 HG22 VAL A 106 -7.934 -2.824 6.989 1.00 5.10 H new ATOM 0 HG23 VAL A 106 -6.839 -4.227 7.018 1.00 5.10 H new ATOM 1648 N TRP A 107 -4.646 -0.426 4.128 1.00 11.04 N ATOM 1649 CA TRP A 107 -3.531 0.412 3.649 1.00 61.44 C ATOM 1650 C TRP A 107 -3.543 1.756 4.413 1.00 75.25 C ATOM 1651 O TRP A 107 -4.454 2.572 4.244 1.00 41.13 O ATOM 1652 CB TRP A 107 -3.641 0.623 2.117 1.00 70.23 C ATOM 1653 CG TRP A 107 -2.382 1.103 1.425 1.00 34.12 C ATOM 1654 CD1 TRP A 107 -1.211 1.556 1.989 1.00 64.25 C ATOM 1655 CD2 TRP A 107 -2.184 1.165 0.012 1.00 45.33 C ATOM 1656 NE1 TRP A 107 -0.323 1.904 1.010 1.00 53.13 N ATOM 1657 CE2 TRP A 107 -0.897 1.673 -0.210 1.00 15.42 C ATOM 1658 CE3 TRP A 107 -2.987 0.846 -1.085 1.00 63.54 C ATOM 1659 CZ2 TRP A 107 -0.387 1.864 -1.486 1.00 12.13 C ATOM 1660 CZ3 TRP A 107 -2.480 1.035 -2.351 1.00 72.12 C ATOM 1661 CH2 TRP A 107 -1.190 1.546 -2.538 1.00 14.41 C ATOM 0 H TRP A 107 -5.564 -0.095 3.832 1.00 11.04 H new ATOM 0 HA TRP A 107 -2.581 -0.086 3.842 1.00 61.44 H new ATOM 0 HB2 TRP A 107 -3.947 -0.318 1.661 1.00 70.23 H new ATOM 0 HB3 TRP A 107 -4.436 1.344 1.925 1.00 70.23 H new ATOM 0 HD1 TRP A 107 -1.022 1.626 3.050 1.00 64.25 H new ATOM 0 HE1 TRP A 107 0.614 2.275 1.164 1.00 53.13 H new ATOM 0 HE3 TRP A 107 -3.985 0.459 -0.943 1.00 63.54 H new ATOM 0 HZ2 TRP A 107 0.610 2.251 -1.639 1.00 12.13 H new ATOM 0 HZ3 TRP A 107 -3.085 0.786 -3.210 1.00 72.12 H new ATOM 0 HH2 TRP A 107 -0.823 1.692 -3.543 1.00 14.41 H new ATOM 1672 N THR A 108 -2.514 1.975 5.243 1.00 10.12 N ATOM 1673 CA THR A 108 -2.439 3.129 6.162 1.00 51.22 C ATOM 1674 C THR A 108 -1.129 3.913 5.933 1.00 41.14 C ATOM 1675 O THR A 108 -0.046 3.330 5.952 1.00 64.11 O ATOM 1676 CB THR A 108 -2.529 2.659 7.658 1.00 35.10 C ATOM 1677 OG1 THR A 108 -3.703 1.847 7.847 1.00 72.02 O ATOM 1678 CG2 THR A 108 -2.576 3.845 8.643 1.00 42.00 C ATOM 0 H THR A 108 -1.705 1.357 5.299 1.00 10.12 H new ATOM 0 HA THR A 108 -3.285 3.784 5.954 1.00 51.22 H new ATOM 0 HB THR A 108 -1.628 2.083 7.867 1.00 35.10 H new ATOM 0 HG1 THR A 108 -3.752 1.556 8.781 1.00 72.02 H new ATOM 0 HG21 THR A 108 -2.638 3.468 9.664 1.00 42.00 H new ATOM 0 HG22 THR A 108 -1.673 4.446 8.532 1.00 42.00 H new ATOM 0 HG23 THR A 108 -3.450 4.460 8.430 1.00 42.00 H new ATOM 1686 N ALA A 109 -1.241 5.238 5.733 1.00 5.40 N ATOM 1687 CA ALA A 109 -0.086 6.131 5.500 1.00 3.31 C ATOM 1688 C ALA A 109 0.018 7.194 6.598 1.00 21.00 C ATOM 1689 O ALA A 109 -0.987 7.618 7.153 1.00 75.05 O ATOM 1690 CB ALA A 109 -0.190 6.822 4.134 1.00 22.13 C ATOM 0 H ALA A 109 -2.138 5.724 5.728 1.00 5.40 H new ATOM 0 HA ALA A 109 0.810 5.511 5.518 1.00 3.31 H new ATOM 0 HB1 ALA A 109 0.672 7.473 3.989 1.00 22.13 H new ATOM 0 HB2 ALA A 109 -0.213 6.069 3.346 1.00 22.13 H new ATOM 0 HB3 ALA A 109 -1.103 7.416 4.095 1.00 22.13 H new ATOM 1696 N MET A 110 1.251 7.617 6.899 1.00 71.23 N ATOM 1697 CA MET A 110 1.531 8.740 7.816 1.00 3.34 C ATOM 1698 C MET A 110 2.429 9.757 7.105 1.00 14.24 C ATOM 1699 O MET A 110 3.196 9.383 6.224 1.00 11.11 O ATOM 1700 CB MET A 110 2.241 8.261 9.114 1.00 14.20 C ATOM 1701 CG MET A 110 1.533 7.127 9.856 1.00 35.50 C ATOM 1702 SD MET A 110 1.677 5.544 8.989 1.00 61.24 S ATOM 1703 CE MET A 110 0.820 4.430 10.096 1.00 11.13 C ATOM 0 H MET A 110 2.093 7.190 6.513 1.00 71.23 H new ATOM 0 HA MET A 110 0.579 9.191 8.096 1.00 3.34 H new ATOM 0 HB2 MET A 110 3.249 7.935 8.860 1.00 14.20 H new ATOM 0 HB3 MET A 110 2.342 9.110 9.790 1.00 14.20 H new ATOM 0 HG2 MET A 110 1.955 7.031 10.856 1.00 35.50 H new ATOM 0 HG3 MET A 110 0.479 7.378 9.978 1.00 35.50 H new ATOM 0 HE1 MET A 110 0.742 3.446 9.633 1.00 11.13 H new ATOM 0 HE2 MET A 110 1.374 4.348 11.031 1.00 11.13 H new ATOM 0 HE3 MET A 110 -0.179 4.816 10.299 1.00 11.13 H new ATOM 1713 N PHE A 111 2.303 11.032 7.472 1.00 14.45 N ATOM 1714 CA PHE A 111 3.218 12.099 7.023 1.00 71.02 C ATOM 1715 C PHE A 111 3.085 13.336 7.926 1.00 45.34 C ATOM 1716 O PHE A 111 2.030 13.565 8.525 1.00 25.44 O ATOM 1717 CB PHE A 111 2.992 12.471 5.522 1.00 12.51 C ATOM 1718 CG PHE A 111 1.532 12.701 5.106 1.00 12.44 C ATOM 1719 CD1 PHE A 111 0.884 13.912 5.355 1.00 53.21 C ATOM 1720 CD2 PHE A 111 0.815 11.701 4.446 1.00 73.02 C ATOM 1721 CE1 PHE A 111 -0.425 14.110 4.961 1.00 33.44 C ATOM 1722 CE2 PHE A 111 -0.487 11.901 4.052 1.00 20.13 C ATOM 1723 CZ PHE A 111 -1.108 13.105 4.307 1.00 61.34 C ATOM 0 H PHE A 111 1.563 11.362 8.091 1.00 14.45 H new ATOM 0 HA PHE A 111 4.236 11.717 7.105 1.00 71.02 H new ATOM 0 HB2 PHE A 111 3.560 13.375 5.301 1.00 12.51 H new ATOM 0 HB3 PHE A 111 3.406 11.675 4.903 1.00 12.51 H new ATOM 0 HD1 PHE A 111 1.413 14.705 5.863 1.00 53.21 H new ATOM 0 HD2 PHE A 111 1.292 10.754 4.241 1.00 73.02 H new ATOM 0 HE1 PHE A 111 -0.914 15.051 5.165 1.00 33.44 H new ATOM 0 HE2 PHE A 111 -1.024 11.114 3.542 1.00 20.13 H new ATOM 0 HZ PHE A 111 -2.130 13.262 3.995 1.00 61.34 H new ATOM 1733 N ASP A 112 4.159 14.131 8.025 1.00 23.43 N ATOM 1734 CA ASP A 112 4.150 15.377 8.815 1.00 13.13 C ATOM 1735 C ASP A 112 4.019 16.590 7.863 1.00 52.33 C ATOM 1736 O ASP A 112 5.007 17.230 7.485 1.00 12.55 O ATOM 1737 CB ASP A 112 5.405 15.441 9.728 1.00 22.20 C ATOM 1738 CG ASP A 112 5.385 16.617 10.719 1.00 22.43 C ATOM 1739 OD1 ASP A 112 4.500 16.638 11.604 1.00 44.54 O ATOM 1740 OD2 ASP A 112 6.241 17.518 10.617 1.00 63.42 O ATOM 0 H ASP A 112 5.049 13.935 7.567 1.00 23.43 H new ATOM 0 HA ASP A 112 3.287 15.400 9.481 1.00 13.13 H new ATOM 0 HB2 ASP A 112 5.486 14.508 10.286 1.00 22.20 H new ATOM 0 HB3 ASP A 112 6.295 15.518 9.103 1.00 22.20 H new ATOM 1745 N CYS A 113 2.773 16.820 7.411 1.00 71.33 N ATOM 1746 CA CYS A 113 2.403 17.941 6.502 1.00 53.42 C ATOM 1747 C CYS A 113 1.257 18.795 7.110 1.00 43.43 C ATOM 1748 O CYS A 113 0.622 18.390 8.094 1.00 24.12 O ATOM 1749 CB CYS A 113 1.992 17.365 5.125 1.00 12.43 C ATOM 1750 SG CYS A 113 1.531 18.593 3.876 1.00 25.45 S ATOM 0 H CYS A 113 1.980 16.231 7.664 1.00 71.33 H new ATOM 0 HA CYS A 113 3.264 18.597 6.374 1.00 53.42 H new ATOM 0 HB2 CYS A 113 2.819 16.770 4.737 1.00 12.43 H new ATOM 0 HB3 CYS A 113 1.152 16.686 5.270 1.00 12.43 H new ATOM 0 HG CYS A 113 1.211 17.988 2.771 1.00 25.45 H new ATOM 1756 N SER A 114 1.000 19.978 6.505 1.00 71.11 N ATOM 1757 CA SER A 114 -0.039 20.934 6.981 1.00 10.21 C ATOM 1758 C SER A 114 -1.475 20.349 6.859 1.00 32.44 C ATOM 1759 O SER A 114 -1.733 19.587 5.932 1.00 23.25 O ATOM 1760 CB SER A 114 0.029 22.248 6.170 1.00 74.14 C ATOM 1761 OG SER A 114 -0.353 22.044 4.813 1.00 51.41 O ATOM 0 H SER A 114 1.502 20.300 5.677 1.00 71.11 H new ATOM 0 HA SER A 114 0.169 21.125 8.034 1.00 10.21 H new ATOM 0 HB2 SER A 114 -0.625 22.992 6.625 1.00 74.14 H new ATOM 0 HB3 SER A 114 1.042 22.648 6.208 1.00 74.14 H new ATOM 0 HG SER A 114 -0.301 22.894 4.327 1.00 51.41 H new ATOM 1767 N PRO A 115 -2.437 20.709 7.788 1.00 2.11 N ATOM 1768 CA PRO A 115 -3.864 20.256 7.702 1.00 13.12 C ATOM 1769 C PRO A 115 -4.570 20.681 6.379 1.00 55.45 C ATOM 1770 O PRO A 115 -5.456 19.971 5.890 1.00 15.41 O ATOM 1771 CB PRO A 115 -4.536 20.921 8.944 1.00 45.23 C ATOM 1772 CG PRO A 115 -3.612 22.039 9.330 1.00 43.42 C ATOM 1773 CD PRO A 115 -2.221 21.547 9.000 1.00 40.25 C ATOM 0 HA PRO A 115 -3.938 19.169 7.697 1.00 13.12 H new ATOM 0 HB2 PRO A 115 -5.530 21.296 8.702 1.00 45.23 H new ATOM 0 HB3 PRO A 115 -4.654 20.207 9.759 1.00 45.23 H new ATOM 0 HG2 PRO A 115 -3.847 22.950 8.779 1.00 43.42 H new ATOM 0 HG3 PRO A 115 -3.703 22.275 10.390 1.00 43.42 H new ATOM 0 HD2 PRO A 115 -1.538 22.373 8.802 1.00 40.25 H new ATOM 0 HD3 PRO A 115 -1.793 20.969 9.819 1.00 40.25 H new ATOM 1781 N GLU A 116 -4.160 21.847 5.831 1.00 52.23 N ATOM 1782 CA GLU A 116 -4.648 22.370 4.530 1.00 55.03 C ATOM 1783 C GLU A 116 -4.383 21.373 3.381 1.00 64.21 C ATOM 1784 O GLU A 116 -5.305 20.955 2.673 1.00 11.13 O ATOM 1785 CB GLU A 116 -3.955 23.719 4.199 1.00 72.41 C ATOM 1786 CG GLU A 116 -4.240 24.862 5.193 1.00 42.32 C ATOM 1787 CD GLU A 116 -3.587 26.200 4.795 1.00 15.34 C ATOM 1788 OE1 GLU A 116 -3.814 26.665 3.654 1.00 11.01 O ATOM 1789 OE2 GLU A 116 -2.849 26.790 5.613 1.00 22.31 O ATOM 0 H GLU A 116 -3.477 22.457 6.280 1.00 52.23 H new ATOM 0 HA GLU A 116 -5.724 22.517 4.622 1.00 55.03 H new ATOM 0 HB2 GLU A 116 -2.878 23.556 4.156 1.00 72.41 H new ATOM 0 HB3 GLU A 116 -4.269 24.036 3.205 1.00 72.41 H new ATOM 0 HG2 GLU A 116 -5.318 25.003 5.273 1.00 42.32 H new ATOM 0 HG3 GLU A 116 -3.882 24.572 6.181 1.00 42.32 H new ATOM 1796 N THR A 117 -3.107 20.993 3.222 1.00 64.24 N ATOM 1797 CA THR A 117 -2.683 20.057 2.168 1.00 32.22 C ATOM 1798 C THR A 117 -3.098 18.605 2.510 1.00 33.20 C ATOM 1799 O THR A 117 -3.443 17.834 1.619 1.00 13.11 O ATOM 1800 CB THR A 117 -1.138 20.135 1.930 1.00 43.41 C ATOM 1801 OG1 THR A 117 -0.748 21.498 1.654 1.00 62.51 O ATOM 1802 CG2 THR A 117 -0.683 19.238 0.765 1.00 34.12 C ATOM 0 H THR A 117 -2.345 21.322 3.814 1.00 64.24 H new ATOM 0 HA THR A 117 -3.188 20.352 1.248 1.00 32.22 H new ATOM 0 HB THR A 117 -0.656 19.779 2.841 1.00 43.41 H new ATOM 0 HG1 THR A 117 -0.534 21.954 2.495 1.00 62.51 H new ATOM 0 HG21 THR A 117 0.396 19.326 0.638 1.00 34.12 H new ATOM 0 HG22 THR A 117 -0.940 18.201 0.982 1.00 34.12 H new ATOM 0 HG23 THR A 117 -1.183 19.551 -0.152 1.00 34.12 H new ATOM 1810 N ALA A 118 -3.128 18.267 3.817 1.00 24.52 N ATOM 1811 CA ALA A 118 -3.390 16.884 4.291 1.00 13.55 C ATOM 1812 C ALA A 118 -4.823 16.417 3.952 1.00 53.01 C ATOM 1813 O ALA A 118 -5.012 15.280 3.528 1.00 61.14 O ATOM 1814 CB ALA A 118 -3.133 16.771 5.801 1.00 4.43 C ATOM 0 H ALA A 118 -2.973 18.937 4.571 1.00 24.52 H new ATOM 0 HA ALA A 118 -2.698 16.226 3.764 1.00 13.55 H new ATOM 0 HB1 ALA A 118 -3.331 15.750 6.128 1.00 4.43 H new ATOM 0 HB2 ALA A 118 -2.095 17.026 6.013 1.00 4.43 H new ATOM 0 HB3 ALA A 118 -3.791 17.457 6.334 1.00 4.43 H new ATOM 1820 N ARG A 119 -5.822 17.317 4.125 1.00 75.21 N ATOM 1821 CA ARG A 119 -7.240 17.018 3.785 1.00 20.33 C ATOM 1822 C ARG A 119 -7.439 16.851 2.256 1.00 44.03 C ATOM 1823 O ARG A 119 -8.294 16.069 1.817 1.00 4.51 O ATOM 1824 CB ARG A 119 -8.200 18.097 4.362 1.00 1.01 C ATOM 1825 CG ARG A 119 -7.987 19.529 3.824 1.00 12.32 C ATOM 1826 CD ARG A 119 -8.936 20.554 4.470 1.00 44.31 C ATOM 1827 NE ARG A 119 -8.705 21.934 3.992 1.00 13.14 N ATOM 1828 CZ ARG A 119 -9.304 23.010 4.461 1.00 50.44 C ATOM 1829 NH1 ARG A 119 -10.176 22.934 5.424 1.00 51.01 N ATOM 1830 NH2 ARG A 119 -9.025 24.160 3.951 1.00 4.40 N ATOM 0 H ARG A 119 -5.675 18.255 4.497 1.00 75.21 H new ATOM 0 HA ARG A 119 -7.491 16.066 4.253 1.00 20.33 H new ATOM 0 HB2 ARG A 119 -9.226 17.796 4.150 1.00 1.01 H new ATOM 0 HB3 ARG A 119 -8.090 18.114 5.446 1.00 1.01 H new ATOM 0 HG2 ARG A 119 -6.955 19.831 4.005 1.00 12.32 H new ATOM 0 HG3 ARG A 119 -8.136 19.533 2.744 1.00 12.32 H new ATOM 0 HD2 ARG A 119 -9.967 20.270 4.259 1.00 44.31 H new ATOM 0 HD3 ARG A 119 -8.812 20.524 5.553 1.00 44.31 H new ATOM 0 HE ARG A 119 -8.028 22.063 3.240 1.00 13.14 H new ATOM 0 HH11 ARG A 119 -10.408 22.028 5.831 1.00 51.01 H new ATOM 0 HH12 ARG A 119 -10.627 23.780 5.771 1.00 51.01 H new ATOM 0 HH21 ARG A 119 -8.347 24.230 3.192 1.00 4.40 H new ATOM 0 HH22 ARG A 119 -9.482 25.000 4.306 1.00 4.40 H new ATOM 1844 N GLU A 120 -6.629 17.580 1.453 1.00 61.10 N ATOM 1845 CA GLU A 120 -6.567 17.380 -0.013 1.00 24.22 C ATOM 1846 C GLU A 120 -6.005 15.971 -0.323 1.00 50.34 C ATOM 1847 O GLU A 120 -6.548 15.245 -1.155 1.00 64.30 O ATOM 1848 CB GLU A 120 -5.685 18.470 -0.684 1.00 71.32 C ATOM 1849 CG GLU A 120 -5.515 18.295 -2.212 1.00 72.23 C ATOM 1850 CD GLU A 120 -4.551 19.313 -2.847 1.00 11.44 C ATOM 1851 OE1 GLU A 120 -3.319 19.103 -2.788 1.00 31.24 O ATOM 1852 OE2 GLU A 120 -5.017 20.335 -3.401 1.00 41.13 O ATOM 0 H GLU A 120 -6.009 18.313 1.797 1.00 61.10 H new ATOM 0 HA GLU A 120 -7.575 17.464 -0.419 1.00 24.22 H new ATOM 0 HB2 GLU A 120 -6.124 19.448 -0.488 1.00 71.32 H new ATOM 0 HB3 GLU A 120 -4.700 18.463 -0.217 1.00 71.32 H new ATOM 0 HG2 GLU A 120 -5.152 17.288 -2.415 1.00 72.23 H new ATOM 0 HG3 GLU A 120 -6.491 18.384 -2.690 1.00 72.23 H new ATOM 1859 N LEU A 121 -4.953 15.579 0.424 1.00 31.10 N ATOM 1860 CA LEU A 121 -4.248 14.296 0.225 1.00 12.25 C ATOM 1861 C LEU A 121 -5.094 13.098 0.709 1.00 63.33 C ATOM 1862 O LEU A 121 -4.903 11.989 0.223 1.00 60.12 O ATOM 1863 CB LEU A 121 -2.866 14.301 0.933 1.00 72.04 C ATOM 1864 CG LEU A 121 -1.839 15.370 0.435 1.00 33.22 C ATOM 1865 CD1 LEU A 121 -0.516 15.294 1.229 1.00 75.42 C ATOM 1866 CD2 LEU A 121 -1.594 15.245 -1.084 1.00 72.22 C ATOM 0 H LEU A 121 -4.568 16.143 1.182 1.00 31.10 H new ATOM 0 HA LEU A 121 -4.088 14.182 -0.847 1.00 12.25 H new ATOM 0 HB2 LEU A 121 -3.028 14.453 2.000 1.00 72.04 H new ATOM 0 HB3 LEU A 121 -2.418 13.314 0.816 1.00 72.04 H new ATOM 0 HG LEU A 121 -2.272 16.353 0.618 1.00 33.22 H new ATOM 0 HD11 LEU A 121 0.175 16.050 0.857 1.00 75.42 H new ATOM 0 HD12 LEU A 121 -0.715 15.472 2.286 1.00 75.42 H new ATOM 0 HD13 LEU A 121 -0.073 14.306 1.105 1.00 75.42 H new ATOM 0 HD21 LEU A 121 -0.876 16.001 -1.400 1.00 72.22 H new ATOM 0 HD22 LEU A 121 -1.200 14.254 -1.309 1.00 72.22 H new ATOM 0 HD23 LEU A 121 -2.533 15.391 -1.617 1.00 72.22 H new ATOM 1878 N GLU A 122 -6.028 13.320 1.667 1.00 1.01 N ATOM 1879 CA GLU A 122 -6.982 12.268 2.104 1.00 13.12 C ATOM 1880 C GLU A 122 -7.872 11.813 0.927 1.00 55.53 C ATOM 1881 O GLU A 122 -8.197 10.633 0.805 1.00 33.11 O ATOM 1882 CB GLU A 122 -7.853 12.751 3.299 1.00 75.31 C ATOM 1883 CG GLU A 122 -7.059 13.050 4.590 1.00 62.54 C ATOM 1884 CD GLU A 122 -7.952 13.336 5.808 1.00 74.32 C ATOM 1885 OE1 GLU A 122 -8.489 14.458 5.916 1.00 62.51 O ATOM 1886 OE2 GLU A 122 -8.149 12.428 6.647 1.00 3.44 O ATOM 0 H GLU A 122 -6.141 14.212 2.149 1.00 1.01 H new ATOM 0 HA GLU A 122 -6.398 11.413 2.444 1.00 13.12 H new ATOM 0 HB2 GLU A 122 -8.390 13.652 3.001 1.00 75.31 H new ATOM 0 HB3 GLU A 122 -8.603 11.990 3.517 1.00 75.31 H new ATOM 0 HG2 GLU A 122 -6.413 12.201 4.815 1.00 62.54 H new ATOM 0 HG3 GLU A 122 -6.409 13.908 4.417 1.00 62.54 H new ATOM 1893 N SER A 123 -8.270 12.773 0.077 1.00 43.33 N ATOM 1894 CA SER A 123 -8.988 12.475 -1.187 1.00 11.24 C ATOM 1895 C SER A 123 -8.042 11.930 -2.303 1.00 72.40 C ATOM 1896 O SER A 123 -8.318 10.890 -2.904 1.00 22.15 O ATOM 1897 CB SER A 123 -9.732 13.736 -1.681 1.00 24.22 C ATOM 1898 OG SER A 123 -10.550 13.449 -2.803 1.00 15.34 O ATOM 0 H SER A 123 -8.109 13.767 0.237 1.00 43.33 H new ATOM 0 HA SER A 123 -9.707 11.685 -0.971 1.00 11.24 H new ATOM 0 HB2 SER A 123 -10.346 14.137 -0.875 1.00 24.22 H new ATOM 0 HB3 SER A 123 -9.008 14.507 -1.944 1.00 24.22 H new ATOM 0 HG SER A 123 -11.008 14.266 -3.091 1.00 15.34 H new ATOM 1904 N VAL A 124 -6.927 12.648 -2.572 1.00 33.11 N ATOM 1905 CA VAL A 124 -6.009 12.336 -3.710 1.00 45.14 C ATOM 1906 C VAL A 124 -5.167 11.051 -3.472 1.00 44.23 C ATOM 1907 O VAL A 124 -5.177 10.131 -4.291 1.00 63.31 O ATOM 1908 CB VAL A 124 -5.050 13.559 -3.997 1.00 42.21 C ATOM 1909 CG1 VAL A 124 -4.050 13.259 -5.151 1.00 21.25 C ATOM 1910 CG2 VAL A 124 -5.869 14.842 -4.296 1.00 43.33 C ATOM 0 H VAL A 124 -6.634 13.453 -2.018 1.00 33.11 H new ATOM 0 HA VAL A 124 -6.642 12.151 -4.578 1.00 45.14 H new ATOM 0 HB VAL A 124 -4.461 13.726 -3.095 1.00 42.21 H new ATOM 0 HG11 VAL A 124 -3.411 14.127 -5.314 1.00 21.25 H new ATOM 0 HG12 VAL A 124 -3.434 12.400 -4.885 1.00 21.25 H new ATOM 0 HG13 VAL A 124 -4.603 13.040 -6.064 1.00 21.25 H new ATOM 0 HG21 VAL A 124 -5.189 15.671 -4.491 1.00 43.33 H new ATOM 0 HG22 VAL A 124 -6.498 14.676 -5.170 1.00 43.33 H new ATOM 0 HG23 VAL A 124 -6.496 15.081 -3.437 1.00 43.33 H new ATOM 1920 N ILE A 125 -4.437 11.003 -2.352 1.00 31.31 N ATOM 1921 CA ILE A 125 -3.625 9.820 -1.973 1.00 34.51 C ATOM 1922 C ILE A 125 -4.531 8.701 -1.395 1.00 72.33 C ATOM 1923 O ILE A 125 -4.402 7.533 -1.771 1.00 62.22 O ATOM 1924 CB ILE A 125 -2.487 10.204 -0.943 1.00 22.44 C ATOM 1925 CG1 ILE A 125 -1.491 11.237 -1.574 1.00 70.31 C ATOM 1926 CG2 ILE A 125 -1.735 8.952 -0.404 1.00 31.13 C ATOM 1927 CD1 ILE A 125 -0.348 11.671 -0.657 1.00 1.13 C ATOM 0 H ILE A 125 -4.386 11.771 -1.682 1.00 31.31 H new ATOM 0 HA ILE A 125 -3.141 9.446 -2.875 1.00 34.51 H new ATOM 0 HB ILE A 125 -2.970 10.674 -0.086 1.00 22.44 H new ATOM 0 HG12 ILE A 125 -1.066 10.804 -2.480 1.00 70.31 H new ATOM 0 HG13 ILE A 125 -2.051 12.122 -1.876 1.00 70.31 H new ATOM 0 HG21 ILE A 125 -0.964 9.266 0.299 1.00 31.13 H new ATOM 0 HG22 ILE A 125 -2.441 8.293 0.102 1.00 31.13 H new ATOM 0 HG23 ILE A 125 -1.273 8.419 -1.235 1.00 31.13 H new ATOM 0 HD11 ILE A 125 0.287 12.385 -1.181 1.00 1.13 H new ATOM 0 HD12 ILE A 125 -0.757 12.138 0.239 1.00 1.13 H new ATOM 0 HD13 ILE A 125 0.242 10.800 -0.374 1.00 1.13 H new ATOM 1939 N GLY A 126 -5.455 9.084 -0.493 1.00 33.44 N ATOM 1940 CA GLY A 126 -6.348 8.127 0.181 1.00 0.31 C ATOM 1941 C GLY A 126 -7.310 7.375 -0.751 1.00 41.22 C ATOM 1942 O GLY A 126 -7.449 6.159 -0.657 1.00 71.42 O ATOM 0 H GLY A 126 -5.601 10.054 -0.215 1.00 33.44 H new ATOM 0 HA2 GLY A 126 -5.739 7.398 0.716 1.00 0.31 H new ATOM 0 HA3 GLY A 126 -6.933 8.663 0.928 1.00 0.31 H new ATOM 1946 N ASP A 127 -8.001 8.090 -1.648 1.00 72.41 N ATOM 1947 CA ASP A 127 -8.966 7.455 -2.581 1.00 22.24 C ATOM 1948 C ASP A 127 -8.371 7.267 -3.992 1.00 64.32 C ATOM 1949 O ASP A 127 -8.475 6.179 -4.582 1.00 60.14 O ATOM 1950 CB ASP A 127 -10.271 8.274 -2.628 1.00 73.22 C ATOM 1951 CG ASP A 127 -10.892 8.434 -1.231 1.00 33.45 C ATOM 1952 OD1 ASP A 127 -11.422 7.441 -0.687 1.00 3.44 O ATOM 1953 OD2 ASP A 127 -10.798 9.535 -0.643 1.00 13.04 O ATOM 0 H ASP A 127 -7.917 9.101 -1.754 1.00 72.41 H new ATOM 0 HA ASP A 127 -9.191 6.458 -2.204 1.00 22.24 H new ATOM 0 HB2 ASP A 127 -10.068 9.258 -3.051 1.00 73.22 H new ATOM 0 HB3 ASP A 127 -10.985 7.784 -3.290 1.00 73.22 H new ATOM 1958 N GLY A 128 -7.730 8.325 -4.508 1.00 71.25 N ATOM 1959 CA GLY A 128 -7.172 8.324 -5.867 1.00 44.43 C ATOM 1960 C GLY A 128 -5.976 7.381 -6.076 1.00 13.10 C ATOM 1961 O GLY A 128 -5.653 7.040 -7.213 1.00 12.31 O ATOM 0 H GLY A 128 -7.585 9.198 -4.000 1.00 71.25 H new ATOM 0 HA2 GLY A 128 -7.960 8.048 -6.567 1.00 44.43 H new ATOM 0 HA3 GLY A 128 -6.864 9.339 -6.118 1.00 44.43 H new ATOM 1965 N VAL A 129 -5.298 6.968 -4.982 1.00 53.04 N ATOM 1966 CA VAL A 129 -4.176 5.991 -5.050 1.00 73.20 C ATOM 1967 C VAL A 129 -4.498 4.702 -4.252 1.00 72.14 C ATOM 1968 O VAL A 129 -4.412 3.589 -4.796 1.00 21.25 O ATOM 1969 CB VAL A 129 -2.823 6.614 -4.528 1.00 64.00 C ATOM 1970 CG1 VAL A 129 -1.647 5.594 -4.616 1.00 24.14 C ATOM 1971 CG2 VAL A 129 -2.481 7.925 -5.280 1.00 54.54 C ATOM 0 H VAL A 129 -5.505 7.294 -4.038 1.00 53.04 H new ATOM 0 HA VAL A 129 -4.053 5.733 -6.102 1.00 73.20 H new ATOM 0 HB VAL A 129 -2.965 6.859 -3.475 1.00 64.00 H new ATOM 0 HG11 VAL A 129 -0.733 6.060 -4.248 1.00 24.14 H new ATOM 0 HG12 VAL A 129 -1.878 4.719 -4.009 1.00 24.14 H new ATOM 0 HG13 VAL A 129 -1.507 5.289 -5.653 1.00 24.14 H new ATOM 0 HG21 VAL A 129 -1.544 8.330 -4.898 1.00 54.54 H new ATOM 0 HG22 VAL A 129 -2.379 7.717 -6.345 1.00 54.54 H new ATOM 0 HG23 VAL A 129 -3.279 8.651 -5.127 1.00 54.54 H new ATOM 1981 N PHE A 130 -4.869 4.862 -2.962 1.00 32.21 N ATOM 1982 CA PHE A 130 -5.049 3.719 -2.025 1.00 40.11 C ATOM 1983 C PHE A 130 -6.329 2.928 -2.311 1.00 25.30 C ATOM 1984 O PHE A 130 -6.271 1.713 -2.492 1.00 33.44 O ATOM 1985 CB PHE A 130 -5.039 4.184 -0.535 1.00 4.01 C ATOM 1986 CG PHE A 130 -3.695 4.634 0.026 1.00 23.55 C ATOM 1987 CD1 PHE A 130 -2.609 4.937 -0.799 1.00 22.24 C ATOM 1988 CD2 PHE A 130 -3.518 4.738 1.405 1.00 22.23 C ATOM 1989 CE1 PHE A 130 -1.402 5.329 -0.266 1.00 1.22 C ATOM 1990 CE2 PHE A 130 -2.311 5.125 1.933 1.00 24.22 C ATOM 1991 CZ PHE A 130 -1.253 5.420 1.099 1.00 75.21 C ATOM 0 H PHE A 130 -5.051 5.773 -2.540 1.00 32.21 H new ATOM 0 HA PHE A 130 -4.198 3.059 -2.191 1.00 40.11 H new ATOM 0 HB2 PHE A 130 -5.746 5.007 -0.429 1.00 4.01 H new ATOM 0 HB3 PHE A 130 -5.409 3.365 0.081 1.00 4.01 H new ATOM 0 HD1 PHE A 130 -2.718 4.863 -1.871 1.00 22.24 H new ATOM 0 HD2 PHE A 130 -4.341 4.511 2.067 1.00 22.23 H new ATOM 0 HE1 PHE A 130 -0.574 5.565 -0.918 1.00 1.22 H new ATOM 0 HE2 PHE A 130 -2.190 5.199 3.004 1.00 24.22 H new ATOM 0 HZ PHE A 130 -0.305 5.723 1.518 1.00 75.21 H new ATOM 2001 N ALA A 131 -7.487 3.616 -2.340 1.00 73.31 N ATOM 2002 CA ALA A 131 -8.776 2.970 -2.670 1.00 21.25 C ATOM 2003 C ALA A 131 -8.747 2.373 -4.099 1.00 51.50 C ATOM 2004 O ALA A 131 -9.351 1.344 -4.347 1.00 41.51 O ATOM 2005 CB ALA A 131 -9.952 3.942 -2.499 1.00 74.01 C ATOM 0 H ALA A 131 -7.558 4.614 -2.140 1.00 73.31 H new ATOM 0 HA ALA A 131 -8.925 2.151 -1.966 1.00 21.25 H new ATOM 0 HB1 ALA A 131 -10.883 3.434 -2.750 1.00 74.01 H new ATOM 0 HB2 ALA A 131 -9.993 4.285 -1.465 1.00 74.01 H new ATOM 0 HB3 ALA A 131 -9.816 4.798 -3.160 1.00 74.01 H new ATOM 2011 N VAL A 132 -8.000 3.019 -5.014 1.00 35.33 N ATOM 2012 CA VAL A 132 -7.732 2.478 -6.367 1.00 74.20 C ATOM 2013 C VAL A 132 -7.001 1.105 -6.305 1.00 43.55 C ATOM 2014 O VAL A 132 -7.461 0.126 -6.905 1.00 52.00 O ATOM 2015 CB VAL A 132 -6.908 3.519 -7.220 1.00 75.51 C ATOM 2016 CG1 VAL A 132 -6.232 2.880 -8.451 1.00 65.51 C ATOM 2017 CG2 VAL A 132 -7.801 4.703 -7.659 1.00 44.24 C ATOM 0 H VAL A 132 -7.566 3.926 -4.841 1.00 35.33 H new ATOM 0 HA VAL A 132 -8.692 2.309 -6.855 1.00 74.20 H new ATOM 0 HB VAL A 132 -6.114 3.889 -6.571 1.00 75.51 H new ATOM 0 HG11 VAL A 132 -5.680 3.643 -9.000 1.00 65.51 H new ATOM 0 HG12 VAL A 132 -5.545 2.099 -8.125 1.00 65.51 H new ATOM 0 HG13 VAL A 132 -6.993 2.446 -9.100 1.00 65.51 H new ATOM 0 HG21 VAL A 132 -7.210 5.407 -8.245 1.00 44.24 H new ATOM 0 HG22 VAL A 132 -8.627 4.331 -8.264 1.00 44.24 H new ATOM 0 HG23 VAL A 132 -8.196 5.208 -6.777 1.00 44.24 H new ATOM 2027 N GLY A 133 -5.883 1.051 -5.556 1.00 41.13 N ATOM 2028 CA GLY A 133 -5.086 -0.177 -5.423 1.00 55.21 C ATOM 2029 C GLY A 133 -5.845 -1.319 -4.725 1.00 2.31 C ATOM 2030 O GLY A 133 -5.914 -2.435 -5.240 1.00 31.51 O ATOM 0 H GLY A 133 -5.514 1.846 -5.035 1.00 41.13 H new ATOM 0 HA2 GLY A 133 -4.774 -0.509 -6.413 1.00 55.21 H new ATOM 0 HA3 GLY A 133 -4.179 0.045 -4.860 1.00 55.21 H new ATOM 2034 N LEU A 134 -6.440 -1.005 -3.559 1.00 11.32 N ATOM 2035 CA LEU A 134 -7.196 -1.973 -2.726 1.00 74.33 C ATOM 2036 C LEU A 134 -8.444 -2.536 -3.448 1.00 32.23 C ATOM 2037 O LEU A 134 -8.721 -3.739 -3.361 1.00 31.52 O ATOM 2038 CB LEU A 134 -7.621 -1.314 -1.385 1.00 15.13 C ATOM 2039 CG LEU A 134 -6.471 -0.915 -0.409 1.00 31.02 C ATOM 2040 CD1 LEU A 134 -7.045 -0.383 0.919 1.00 4.03 C ATOM 2041 CD2 LEU A 134 -5.492 -2.088 -0.172 1.00 2.40 C ATOM 0 H LEU A 134 -6.412 -0.066 -3.161 1.00 11.32 H new ATOM 0 HA LEU A 134 -6.526 -2.810 -2.533 1.00 74.33 H new ATOM 0 HB2 LEU A 134 -8.200 -0.419 -1.613 1.00 15.13 H new ATOM 0 HB3 LEU A 134 -8.288 -2.001 -0.864 1.00 15.13 H new ATOM 0 HG LEU A 134 -5.900 -0.112 -0.876 1.00 31.02 H new ATOM 0 HD11 LEU A 134 -6.227 -0.110 1.586 1.00 4.03 H new ATOM 0 HD12 LEU A 134 -7.662 0.494 0.723 1.00 4.03 H new ATOM 0 HD13 LEU A 134 -7.653 -1.156 1.388 1.00 4.03 H new ATOM 0 HD21 LEU A 134 -4.705 -1.772 0.513 1.00 2.40 H new ATOM 0 HD22 LEU A 134 -6.032 -2.931 0.260 1.00 2.40 H new ATOM 0 HD23 LEU A 134 -5.048 -2.389 -1.121 1.00 2.40 H new ATOM 2053 N ASN A 135 -9.187 -1.662 -4.162 1.00 14.04 N ATOM 2054 CA ASN A 135 -10.383 -2.088 -4.927 1.00 74.43 C ATOM 2055 C ASN A 135 -9.972 -2.959 -6.124 1.00 60.03 C ATOM 2056 O ASN A 135 -10.602 -3.969 -6.366 1.00 60.13 O ATOM 2057 CB ASN A 135 -11.253 -0.889 -5.397 1.00 51.45 C ATOM 2058 CG ASN A 135 -11.996 -0.194 -4.247 1.00 33.12 C ATOM 2059 OD1 ASN A 135 -12.366 -0.817 -3.256 1.00 63.54 O ATOM 2060 ND2 ASN A 135 -12.228 1.100 -4.372 1.00 52.31 N ATOM 0 H ASN A 135 -8.983 -0.665 -4.225 1.00 14.04 H new ATOM 0 HA ASN A 135 -11.000 -2.678 -4.249 1.00 74.43 H new ATOM 0 HB2 ASN A 135 -10.616 -0.162 -5.902 1.00 51.45 H new ATOM 0 HB3 ASN A 135 -11.979 -1.240 -6.130 1.00 51.45 H new ATOM 0 HD21 ASN A 135 -12.724 1.603 -3.636 1.00 52.31 H new ATOM 0 HD22 ASN A 135 -11.911 1.597 -5.205 1.00 52.31 H new ATOM 2067 N ALA A 136 -8.886 -2.584 -6.834 1.00 25.14 N ATOM 2068 CA ALA A 136 -8.360 -3.373 -7.985 1.00 32.14 C ATOM 2069 C ALA A 136 -7.862 -4.772 -7.546 1.00 55.31 C ATOM 2070 O ALA A 136 -7.973 -5.748 -8.295 1.00 73.53 O ATOM 2071 CB ALA A 136 -7.236 -2.602 -8.691 1.00 63.44 C ATOM 0 H ALA A 136 -8.351 -1.739 -6.635 1.00 25.14 H new ATOM 0 HA ALA A 136 -9.183 -3.523 -8.684 1.00 32.14 H new ATOM 0 HB1 ALA A 136 -6.862 -3.190 -9.529 1.00 63.44 H new ATOM 0 HB2 ALA A 136 -7.622 -1.651 -9.059 1.00 63.44 H new ATOM 0 HB3 ALA A 136 -6.425 -2.416 -7.987 1.00 63.44 H new ATOM 2077 N LEU A 137 -7.318 -4.849 -6.317 1.00 20.44 N ATOM 2078 CA LEU A 137 -6.919 -6.126 -5.686 1.00 32.33 C ATOM 2079 C LEU A 137 -8.181 -6.976 -5.368 1.00 60.12 C ATOM 2080 O LEU A 137 -8.203 -8.194 -5.577 1.00 22.32 O ATOM 2081 CB LEU A 137 -6.052 -5.843 -4.412 1.00 31.14 C ATOM 2082 CG LEU A 137 -5.270 -7.061 -3.783 1.00 53.33 C ATOM 2083 CD1 LEU A 137 -4.065 -6.595 -2.941 1.00 41.10 C ATOM 2084 CD2 LEU A 137 -6.170 -7.966 -2.923 1.00 21.51 C ATOM 0 H LEU A 137 -7.142 -4.031 -5.733 1.00 20.44 H new ATOM 0 HA LEU A 137 -6.304 -6.705 -6.375 1.00 32.33 H new ATOM 0 HB2 LEU A 137 -5.326 -5.070 -4.663 1.00 31.14 H new ATOM 0 HB3 LEU A 137 -6.706 -5.429 -3.644 1.00 31.14 H new ATOM 0 HG LEU A 137 -4.911 -7.644 -4.631 1.00 53.33 H new ATOM 0 HD11 LEU A 137 -3.554 -7.463 -2.526 1.00 41.10 H new ATOM 0 HD12 LEU A 137 -3.375 -6.035 -3.572 1.00 41.10 H new ATOM 0 HD13 LEU A 137 -4.414 -5.957 -2.129 1.00 41.10 H new ATOM 0 HD21 LEU A 137 -5.579 -8.786 -2.516 1.00 21.51 H new ATOM 0 HD22 LEU A 137 -6.595 -7.385 -2.105 1.00 21.51 H new ATOM 0 HD23 LEU A 137 -6.975 -8.369 -3.538 1.00 21.51 H new ATOM 2096 N ALA A 138 -9.233 -6.313 -4.874 1.00 24.15 N ATOM 2097 CA ALA A 138 -10.521 -6.967 -4.569 1.00 12.15 C ATOM 2098 C ALA A 138 -11.308 -7.347 -5.851 1.00 75.02 C ATOM 2099 O ALA A 138 -12.116 -8.259 -5.811 1.00 2.14 O ATOM 2100 CB ALA A 138 -11.365 -6.061 -3.674 1.00 55.53 C ATOM 0 H ALA A 138 -9.221 -5.313 -4.674 1.00 24.15 H new ATOM 0 HA ALA A 138 -10.301 -7.896 -4.044 1.00 12.15 H new ATOM 0 HB1 ALA A 138 -12.314 -6.550 -3.453 1.00 55.53 H new ATOM 0 HB2 ALA A 138 -10.831 -5.869 -2.744 1.00 55.53 H new ATOM 0 HB3 ALA A 138 -11.554 -5.117 -4.186 1.00 55.53 H new ATOM 2106 N GLU A 139 -11.096 -6.600 -6.958 1.00 63.24 N ATOM 2107 CA GLU A 139 -11.756 -6.845 -8.274 1.00 62.11 C ATOM 2108 C GLU A 139 -11.095 -8.007 -9.049 1.00 1.14 C ATOM 2109 O GLU A 139 -11.791 -8.780 -9.719 1.00 23.23 O ATOM 2110 CB GLU A 139 -11.771 -5.550 -9.140 1.00 60.30 C ATOM 2111 CG GLU A 139 -12.672 -4.423 -8.591 1.00 24.05 C ATOM 2112 CD GLU A 139 -12.594 -3.113 -9.403 1.00 31.30 C ATOM 2113 OE1 GLU A 139 -11.508 -2.490 -9.434 1.00 32.01 O ATOM 2114 OE2 GLU A 139 -13.602 -2.710 -10.029 1.00 60.13 O ATOM 0 H GLU A 139 -10.459 -5.803 -6.970 1.00 63.24 H new ATOM 0 HA GLU A 139 -12.785 -7.136 -8.064 1.00 62.11 H new ATOM 0 HB2 GLU A 139 -10.752 -5.174 -9.226 1.00 60.30 H new ATOM 0 HB3 GLU A 139 -12.102 -5.805 -10.147 1.00 60.30 H new ATOM 0 HG2 GLU A 139 -13.705 -4.770 -8.577 1.00 24.05 H new ATOM 0 HG3 GLU A 139 -12.392 -4.217 -7.558 1.00 24.05 H new ATOM 2121 N ARG A 140 -9.751 -8.117 -8.971 1.00 24.14 N ATOM 2122 CA ARG A 140 -9.001 -9.215 -9.642 1.00 5.51 C ATOM 2123 C ARG A 140 -9.320 -10.589 -8.986 1.00 65.53 C ATOM 2124 O ARG A 140 -9.375 -11.611 -9.669 1.00 51.41 O ATOM 2125 CB ARG A 140 -7.469 -8.920 -9.644 1.00 33.04 C ATOM 2126 CG ARG A 140 -6.766 -9.069 -8.275 1.00 23.23 C ATOM 2127 CD ARG A 140 -5.338 -8.484 -8.240 1.00 61.43 C ATOM 2128 NE ARG A 140 -4.450 -9.032 -9.278 1.00 60.02 N ATOM 2129 CZ ARG A 140 -3.773 -10.159 -9.199 1.00 54.43 C ATOM 2130 NH1 ARG A 140 -3.891 -10.953 -8.177 1.00 52.21 N ATOM 2131 NH2 ARG A 140 -2.979 -10.485 -10.164 1.00 0.44 N ATOM 0 H ARG A 140 -9.161 -7.465 -8.454 1.00 24.14 H new ATOM 0 HA ARG A 140 -9.327 -9.266 -10.681 1.00 5.51 H new ATOM 0 HB2 ARG A 140 -6.988 -9.590 -10.356 1.00 33.04 H new ATOM 0 HB3 ARG A 140 -7.312 -7.904 -10.006 1.00 33.04 H new ATOM 0 HG2 ARG A 140 -7.369 -8.576 -7.512 1.00 23.23 H new ATOM 0 HG3 ARG A 140 -6.722 -10.126 -8.013 1.00 23.23 H new ATOM 0 HD2 ARG A 140 -5.395 -7.402 -8.357 1.00 61.43 H new ATOM 0 HD3 ARG A 140 -4.900 -8.676 -7.261 1.00 61.43 H new ATOM 0 HE ARG A 140 -4.350 -8.490 -10.136 1.00 60.02 H new ATOM 0 HH11 ARG A 140 -4.519 -10.709 -7.412 1.00 52.21 H new ATOM 0 HH12 ARG A 140 -3.355 -11.820 -8.140 1.00 52.21 H new ATOM 0 HH21 ARG A 140 -2.882 -9.873 -10.974 1.00 0.44 H new ATOM 0 HH22 ARG A 140 -2.448 -11.355 -10.116 1.00 0.44 H new ATOM 2145 N TYR A 141 -9.550 -10.592 -7.653 1.00 34.24 N ATOM 2146 CA TYR A 141 -10.076 -11.777 -6.926 1.00 4.05 C ATOM 2147 C TYR A 141 -11.629 -11.765 -6.916 1.00 21.41 C ATOM 2148 O TYR A 141 -12.269 -12.792 -6.666 1.00 24.44 O ATOM 2149 CB TYR A 141 -9.540 -11.808 -5.479 1.00 14.15 C ATOM 2150 CG TYR A 141 -8.021 -12.024 -5.351 1.00 34.43 C ATOM 2151 CD1 TYR A 141 -7.411 -13.200 -5.806 1.00 33.03 C ATOM 2152 CD2 TYR A 141 -7.206 -11.082 -4.732 1.00 71.20 C ATOM 2153 CE1 TYR A 141 -6.055 -13.417 -5.639 1.00 51.15 C ATOM 2154 CE2 TYR A 141 -5.859 -11.290 -4.570 1.00 60.32 C ATOM 2155 CZ TYR A 141 -5.284 -12.458 -5.020 1.00 5.10 C ATOM 2156 OH TYR A 141 -3.932 -12.670 -4.844 1.00 2.13 O ATOM 0 H TYR A 141 -9.379 -9.784 -7.054 1.00 34.24 H new ATOM 0 HA TYR A 141 -9.735 -12.673 -7.445 1.00 4.05 H new ATOM 0 HB2 TYR A 141 -9.800 -10.869 -4.991 1.00 14.15 H new ATOM 0 HB3 TYR A 141 -10.052 -12.602 -4.935 1.00 14.15 H new ATOM 0 HD1 TYR A 141 -8.011 -13.952 -6.297 1.00 33.03 H new ATOM 0 HD2 TYR A 141 -7.644 -10.164 -4.370 1.00 71.20 H new ATOM 0 HE1 TYR A 141 -5.604 -14.333 -5.992 1.00 51.15 H new ATOM 0 HE2 TYR A 141 -5.250 -10.538 -4.090 1.00 60.32 H new ATOM 0 HH TYR A 141 -3.593 -13.238 -5.567 1.00 2.13 H new ATOM 2166 N GLY A 142 -12.211 -10.584 -7.214 1.00 1.01 N ATOM 2167 CA GLY A 142 -13.669 -10.404 -7.339 1.00 10.43 C ATOM 2168 C GLY A 142 -14.232 -10.938 -8.655 1.00 35.23 C ATOM 2169 O GLY A 142 -15.445 -10.879 -8.901 1.00 14.53 O ATOM 0 H GLY A 142 -11.680 -9.728 -7.375 1.00 1.01 H new ATOM 0 HA2 GLY A 142 -14.163 -10.909 -6.509 1.00 10.43 H new ATOM 0 HA3 GLY A 142 -13.906 -9.343 -7.254 1.00 10.43 H new