USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 638 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 ASN : amide:sc= -0.643 K(o=-0.64,f=-6.1!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 103:sc= 0.176 USER MOD Single : A 15 LYS NZ :NH3+ 168:sc= 1.28 (180deg=1.17) USER MOD Single : A 17 LYS NZ :NH3+ 175:sc= 0.84 (180deg=0.822) USER MOD Single : A 25 SER OG : rot 171:sc= 1.3 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -168:sc= 1.13 (180deg=0.799) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 MET CE :methyl -160:sc= -1.04 (180deg=-1.42) USER MOD Single : A 40 THR OG1 : rot -140:sc= 0.00204 USER MOD Single : A 43 TYR OH : rot 68:sc= 0.417 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -112:sc= -2.39! (180deg=-4.57!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 25:sc= 1.19 USER MOD Single : A 64 SER OG : rot 30:sc= 0.719 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0.00294 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 56 N GLY A 4 7.782 2.415 10.317 1.00 34.53 N ATOM 57 CA GLY A 4 7.140 2.293 9.024 1.00 23.13 C ATOM 58 C GLY A 4 7.590 1.063 8.268 1.00 4.13 C ATOM 59 O GLY A 4 8.786 0.874 8.027 1.00 54.11 O ATOM 0 HA2 GLY A 4 6.059 2.256 9.161 1.00 23.13 H new ATOM 0 HA3 GLY A 4 7.356 3.180 8.429 1.00 23.13 H new ATOM 63 N ILE A 5 6.637 0.225 7.900 1.00 24.13 N ATOM 64 CA ILE A 5 6.925 -0.981 7.146 1.00 1.32 C ATOM 65 C ILE A 5 6.459 -0.814 5.713 1.00 53.12 C ATOM 66 O ILE A 5 5.836 0.191 5.373 1.00 25.12 O ATOM 67 CB ILE A 5 6.250 -2.227 7.763 1.00 75.41 C ATOM 68 CG1 ILE A 5 4.732 -2.030 7.844 1.00 43.14 C ATOM 69 CG2 ILE A 5 6.833 -2.518 9.139 1.00 34.05 C ATOM 70 CD1 ILE A 5 3.984 -3.244 8.354 1.00 10.52 C ATOM 0 H ILE A 5 5.649 0.360 8.114 1.00 24.13 H new ATOM 0 HA ILE A 5 8.004 -1.136 7.176 1.00 1.32 H new ATOM 0 HB ILE A 5 6.447 -3.085 7.120 1.00 75.41 H new ATOM 0 HG12 ILE A 5 4.519 -1.183 8.497 1.00 43.14 H new ATOM 0 HG13 ILE A 5 4.355 -1.772 6.854 1.00 43.14 H new ATOM 0 HG21 ILE A 5 6.348 -3.398 9.561 1.00 34.05 H new ATOM 0 HG22 ILE A 5 7.904 -2.702 9.049 1.00 34.05 H new ATOM 0 HG23 ILE A 5 6.666 -1.663 9.793 1.00 34.05 H new ATOM 0 HD11 ILE A 5 2.916 -3.028 8.383 1.00 10.52 H new ATOM 0 HD12 ILE A 5 4.165 -4.089 7.689 1.00 10.52 H new ATOM 0 HD13 ILE A 5 4.332 -3.491 9.357 1.00 10.52 H new ATOM 82 N GLY A 6 6.758 -1.787 4.876 1.00 42.55 N ATOM 83 CA GLY A 6 6.329 -1.716 3.502 1.00 62.34 C ATOM 84 C GLY A 6 4.901 -2.182 3.339 1.00 11.42 C ATOM 85 O GLY A 6 4.388 -2.935 4.170 1.00 63.34 O ATOM 0 H GLY A 6 7.289 -2.623 5.122 1.00 42.55 H new ATOM 0 HA2 GLY A 6 6.420 -0.690 3.145 1.00 62.34 H new ATOM 0 HA3 GLY A 6 6.985 -2.329 2.884 1.00 62.34 H new ATOM 89 N LEU A 7 4.259 -1.730 2.274 1.00 24.21 N ATOM 90 CA LEU A 7 2.887 -2.118 1.966 1.00 1.53 C ATOM 91 C LEU A 7 2.792 -3.627 1.738 1.00 64.13 C ATOM 92 O LEU A 7 1.749 -4.241 1.958 1.00 0.40 O ATOM 93 CB LEU A 7 2.410 -1.357 0.728 1.00 15.13 C ATOM 94 CG LEU A 7 0.983 -1.656 0.276 1.00 45.55 C ATOM 95 CD1 LEU A 7 -0.013 -1.288 1.362 1.00 61.31 C ATOM 96 CD2 LEU A 7 0.674 -0.907 -1.008 1.00 22.41 C ATOM 0 H LEU A 7 4.670 -1.086 1.599 1.00 24.21 H new ATOM 0 HA LEU A 7 2.246 -1.866 2.811 1.00 1.53 H new ATOM 0 HB2 LEU A 7 2.492 -0.288 0.927 1.00 15.13 H new ATOM 0 HB3 LEU A 7 3.087 -1.581 -0.096 1.00 15.13 H new ATOM 0 HG LEU A 7 0.896 -2.726 0.086 1.00 45.55 H new ATOM 0 HD11 LEU A 7 -1.024 -1.509 1.019 1.00 61.31 H new ATOM 0 HD12 LEU A 7 0.199 -1.866 2.261 1.00 61.31 H new ATOM 0 HD13 LEU A 7 0.069 -0.224 1.586 1.00 61.31 H new ATOM 0 HD21 LEU A 7 -0.346 -1.128 -1.321 1.00 22.41 H new ATOM 0 HD22 LEU A 7 0.778 0.165 -0.838 1.00 22.41 H new ATOM 0 HD23 LEU A 7 1.369 -1.220 -1.788 1.00 22.41 H new ATOM 108 N ASN A 8 3.903 -4.217 1.319 1.00 21.31 N ATOM 109 CA ASN A 8 3.983 -5.655 1.080 1.00 35.53 C ATOM 110 C ASN A 8 3.995 -6.434 2.394 1.00 3.33 C ATOM 111 O ASN A 8 3.862 -7.657 2.397 1.00 4.25 O ATOM 112 CB ASN A 8 5.239 -6.001 0.267 1.00 24.53 C ATOM 113 CG ASN A 8 6.533 -5.608 0.968 1.00 42.13 C ATOM 114 OD1 ASN A 8 6.595 -4.607 1.681 1.00 65.22 O ATOM 115 ND2 ASN A 8 7.577 -6.403 0.783 1.00 43.23 N ATOM 0 H ASN A 8 4.772 -3.716 1.135 1.00 21.31 H new ATOM 0 HA ASN A 8 3.098 -5.942 0.512 1.00 35.53 H new ATOM 0 HB2 ASN A 8 5.252 -7.073 0.068 1.00 24.53 H new ATOM 0 HB3 ASN A 8 5.189 -5.498 -0.699 1.00 24.53 H new ATOM 0 HD21 ASN A 8 8.465 -6.193 1.238 1.00 43.23 H new ATOM 0 HD22 ASN A 8 7.492 -7.225 0.186 1.00 43.23 H new ATOM 122 N GLU A 9 4.158 -5.727 3.506 1.00 43.13 N ATOM 123 CA GLU A 9 4.214 -6.358 4.810 1.00 54.12 C ATOM 124 C GLU A 9 2.859 -6.284 5.509 1.00 64.13 C ATOM 125 O GLU A 9 2.700 -6.761 6.634 1.00 75.14 O ATOM 126 CB GLU A 9 5.286 -5.681 5.659 1.00 44.50 C ATOM 127 CG GLU A 9 6.677 -5.757 5.054 1.00 43.34 C ATOM 128 CD GLU A 9 7.741 -5.175 5.955 1.00 2.24 C ATOM 129 OE1 GLU A 9 8.229 -5.904 6.845 1.00 73.41 O ATOM 130 OE2 GLU A 9 8.102 -3.995 5.774 1.00 2.44 O ATOM 0 H GLU A 9 4.254 -4.712 3.526 1.00 43.13 H new ATOM 0 HA GLU A 9 4.468 -7.410 4.680 1.00 54.12 H new ATOM 0 HB2 GLU A 9 5.017 -4.634 5.802 1.00 44.50 H new ATOM 0 HB3 GLU A 9 5.302 -6.143 6.646 1.00 44.50 H new ATOM 0 HG2 GLU A 9 6.919 -6.798 4.840 1.00 43.34 H new ATOM 0 HG3 GLU A 9 6.684 -5.226 4.102 1.00 43.34 H new ATOM 137 N VAL A 10 1.888 -5.686 4.836 1.00 53.13 N ATOM 138 CA VAL A 10 0.544 -5.558 5.378 1.00 2.14 C ATOM 139 C VAL A 10 -0.371 -6.583 4.712 1.00 2.33 C ATOM 140 O VAL A 10 -0.071 -7.065 3.618 1.00 62.30 O ATOM 141 CB VAL A 10 -0.018 -4.136 5.154 1.00 63.32 C ATOM 142 CG1 VAL A 10 -1.259 -3.896 6.004 1.00 41.23 C ATOM 143 CG2 VAL A 10 1.044 -3.085 5.444 1.00 3.01 C ATOM 0 H VAL A 10 2.007 -5.279 3.908 1.00 53.13 H new ATOM 0 HA VAL A 10 0.588 -5.739 6.452 1.00 2.14 H new ATOM 0 HB VAL A 10 -0.307 -4.051 4.106 1.00 63.32 H new ATOM 0 HG11 VAL A 10 -1.633 -2.888 5.826 1.00 41.23 H new ATOM 0 HG12 VAL A 10 -2.028 -4.620 5.737 1.00 41.23 H new ATOM 0 HG13 VAL A 10 -1.005 -4.008 7.058 1.00 41.23 H new ATOM 0 HG21 VAL A 10 0.627 -2.091 5.280 1.00 3.01 H new ATOM 0 HG22 VAL A 10 1.371 -3.175 6.480 1.00 3.01 H new ATOM 0 HG23 VAL A 10 1.895 -3.235 4.780 1.00 3.01 H new ATOM 153 N GLU A 11 -1.476 -6.922 5.360 1.00 14.12 N ATOM 154 CA GLU A 11 -2.361 -7.949 4.835 1.00 33.22 C ATOM 155 C GLU A 11 -3.637 -7.337 4.254 1.00 41.24 C ATOM 156 O GLU A 11 -3.909 -6.148 4.428 1.00 34.41 O ATOM 157 CB GLU A 11 -2.688 -8.975 5.924 1.00 42.41 C ATOM 158 CG GLU A 11 -3.131 -10.326 5.382 1.00 22.34 C ATOM 159 CD GLU A 11 -3.055 -11.421 6.425 1.00 22.43 C ATOM 160 OE1 GLU A 11 -1.926 -11.816 6.791 1.00 11.10 O ATOM 161 OE2 GLU A 11 -4.115 -11.896 6.876 1.00 3.25 O ATOM 0 H GLU A 11 -1.778 -6.506 6.241 1.00 14.12 H new ATOM 0 HA GLU A 11 -1.846 -8.461 4.022 1.00 33.22 H new ATOM 0 HB2 GLU A 11 -1.809 -9.117 6.552 1.00 42.41 H new ATOM 0 HB3 GLU A 11 -3.475 -8.574 6.563 1.00 42.41 H new ATOM 0 HG2 GLU A 11 -4.154 -10.249 5.014 1.00 22.34 H new ATOM 0 HG3 GLU A 11 -2.506 -10.595 4.531 1.00 22.34 H new ATOM 168 N ILE A 12 -4.414 -8.174 3.579 1.00 55.24 N ATOM 169 CA ILE A 12 -5.567 -7.736 2.797 1.00 70.31 C ATOM 170 C ILE A 12 -6.667 -7.105 3.650 1.00 11.21 C ATOM 171 O ILE A 12 -6.751 -7.342 4.856 1.00 2.41 O ATOM 172 CB ILE A 12 -6.173 -8.918 2.015 1.00 33.33 C ATOM 173 CG1 ILE A 12 -6.584 -10.036 2.981 1.00 35.34 C ATOM 174 CG2 ILE A 12 -5.181 -9.437 0.986 1.00 55.12 C ATOM 175 CD1 ILE A 12 -7.228 -11.226 2.303 1.00 4.04 C ATOM 0 H ILE A 12 -4.263 -9.182 3.557 1.00 55.24 H new ATOM 0 HA ILE A 12 -5.190 -6.974 2.114 1.00 70.31 H new ATOM 0 HB ILE A 12 -7.062 -8.571 1.488 1.00 33.33 H new ATOM 0 HG12 ILE A 12 -5.703 -10.374 3.526 1.00 35.34 H new ATOM 0 HG13 ILE A 12 -7.278 -9.630 3.717 1.00 35.34 H new ATOM 0 HG21 ILE A 12 -5.624 -10.271 0.442 1.00 55.12 H new ATOM 0 HG22 ILE A 12 -4.932 -8.639 0.286 1.00 55.12 H new ATOM 0 HG23 ILE A 12 -4.275 -9.773 1.491 1.00 55.12 H new ATOM 0 HD11 ILE A 12 -7.490 -11.973 3.052 1.00 4.04 H new ATOM 0 HD12 ILE A 12 -8.129 -10.904 1.781 1.00 4.04 H new ATOM 0 HD13 ILE A 12 -6.529 -11.659 1.587 1.00 4.04 H new ATOM 187 N LYS A 13 -7.500 -6.294 2.998 1.00 70.14 N ATOM 188 CA LYS A 13 -8.680 -5.690 3.617 1.00 12.32 C ATOM 189 C LYS A 13 -8.310 -4.799 4.799 1.00 44.42 C ATOM 190 O LYS A 13 -9.084 -4.652 5.748 1.00 3.54 O ATOM 191 CB LYS A 13 -9.676 -6.777 4.030 1.00 63.33 C ATOM 192 CG LYS A 13 -10.368 -7.424 2.836 1.00 20.40 C ATOM 193 CD LYS A 13 -11.270 -8.576 3.248 1.00 44.14 C ATOM 194 CE LYS A 13 -10.467 -9.753 3.776 1.00 54.13 C ATOM 195 NZ LYS A 13 -11.332 -10.918 4.096 1.00 43.41 N ATOM 0 H LYS A 13 -7.374 -6.036 2.019 1.00 70.14 H new ATOM 0 HA LYS A 13 -9.155 -5.047 2.876 1.00 12.32 H new ATOM 0 HB2 LYS A 13 -9.154 -7.544 4.602 1.00 63.33 H new ATOM 0 HB3 LYS A 13 -10.428 -6.344 4.690 1.00 63.33 H new ATOM 0 HG2 LYS A 13 -10.958 -6.673 2.310 1.00 20.40 H new ATOM 0 HG3 LYS A 13 -9.616 -7.787 2.135 1.00 20.40 H new ATOM 0 HD2 LYS A 13 -11.967 -8.237 4.014 1.00 44.14 H new ATOM 0 HD3 LYS A 13 -11.866 -8.896 2.393 1.00 44.14 H new ATOM 0 HE2 LYS A 13 -9.723 -10.046 3.035 1.00 54.13 H new ATOM 0 HE3 LYS A 13 -9.923 -9.449 4.670 1.00 54.13 H new ATOM 0 HZ1 LYS A 13 -10.745 -11.699 4.453 1.00 43.41 H new ATOM 0 HZ2 LYS A 13 -12.025 -10.646 4.822 1.00 43.41 H new ATOM 0 HZ3 LYS A 13 -11.832 -11.225 3.237 1.00 43.41 H new ATOM 209 N SER A 14 -7.146 -4.177 4.713 1.00 33.32 N ATOM 210 CA SER A 14 -6.690 -3.254 5.737 1.00 13.03 C ATOM 211 C SER A 14 -6.367 -1.902 5.107 1.00 72.12 C ATOM 212 O SER A 14 -6.006 -1.837 3.930 1.00 31.21 O ATOM 213 CB SER A 14 -5.447 -3.815 6.429 1.00 74.12 C ATOM 214 OG SER A 14 -5.633 -5.174 6.792 1.00 41.44 O ATOM 0 H SER A 14 -6.495 -4.297 3.937 1.00 33.32 H new ATOM 0 HA SER A 14 -7.480 -3.124 6.477 1.00 13.03 H new ATOM 0 HB2 SER A 14 -4.587 -3.727 5.765 1.00 74.12 H new ATOM 0 HB3 SER A 14 -5.225 -3.225 7.318 1.00 74.12 H new ATOM 0 HG SER A 14 -5.157 -5.750 6.158 1.00 41.44 H new ATOM 220 N LYS A 15 -6.504 -0.832 5.877 1.00 5.32 N ATOM 221 CA LYS A 15 -6.159 0.496 5.391 1.00 65.12 C ATOM 222 C LYS A 15 -4.826 0.939 5.970 1.00 61.11 C ATOM 223 O LYS A 15 -4.597 0.847 7.180 1.00 34.23 O ATOM 224 CB LYS A 15 -7.250 1.519 5.735 1.00 71.52 C ATOM 225 CG LYS A 15 -6.858 2.952 5.396 1.00 51.42 C ATOM 226 CD LYS A 15 -7.974 3.946 5.685 1.00 14.44 C ATOM 227 CE LYS A 15 -9.088 3.863 4.653 1.00 34.21 C ATOM 228 NZ LYS A 15 -10.039 5.000 4.777 1.00 61.43 N ATOM 0 H LYS A 15 -6.850 -0.857 6.836 1.00 5.32 H new ATOM 0 HA LYS A 15 -6.077 0.443 4.305 1.00 65.12 H new ATOM 0 HB2 LYS A 15 -8.163 1.262 5.197 1.00 71.52 H new ATOM 0 HB3 LYS A 15 -7.478 1.454 6.799 1.00 71.52 H new ATOM 0 HG2 LYS A 15 -5.973 3.228 5.969 1.00 51.42 H new ATOM 0 HG3 LYS A 15 -6.587 3.011 4.342 1.00 51.42 H new ATOM 0 HD2 LYS A 15 -8.383 3.754 6.677 1.00 14.44 H new ATOM 0 HD3 LYS A 15 -7.566 4.957 5.698 1.00 14.44 H new ATOM 0 HE2 LYS A 15 -8.657 3.857 3.652 1.00 34.21 H new ATOM 0 HE3 LYS A 15 -9.627 2.923 4.774 1.00 34.21 H new ATOM 0 HZ1 LYS A 15 -10.660 5.026 3.943 1.00 61.43 H new ATOM 0 HZ2 LYS A 15 -10.615 4.879 5.634 1.00 61.43 H new ATOM 0 HZ3 LYS A 15 -9.508 5.892 4.840 1.00 61.43 H new ATOM 242 N VAL A 16 -3.945 1.399 5.101 1.00 72.53 N ATOM 243 CA VAL A 16 -2.647 1.897 5.515 1.00 1.34 C ATOM 244 C VAL A 16 -2.487 3.360 5.131 1.00 63.43 C ATOM 245 O VAL A 16 -3.259 3.896 4.331 1.00 23.14 O ATOM 246 CB VAL A 16 -1.497 1.080 4.894 1.00 73.34 C ATOM 247 CG1 VAL A 16 -1.549 -0.363 5.370 1.00 21.33 C ATOM 248 CG2 VAL A 16 -1.548 1.148 3.375 1.00 72.04 C ATOM 0 H VAL A 16 -4.108 1.438 4.095 1.00 72.53 H new ATOM 0 HA VAL A 16 -2.597 1.795 6.599 1.00 1.34 H new ATOM 0 HB VAL A 16 -0.553 1.514 5.222 1.00 73.34 H new ATOM 0 HG11 VAL A 16 -0.729 -0.924 4.921 1.00 21.33 H new ATOM 0 HG12 VAL A 16 -1.456 -0.392 6.456 1.00 21.33 H new ATOM 0 HG13 VAL A 16 -2.499 -0.809 5.075 1.00 21.33 H new ATOM 0 HG21 VAL A 16 -0.728 0.565 2.957 1.00 72.04 H new ATOM 0 HG22 VAL A 16 -2.497 0.743 3.024 1.00 72.04 H new ATOM 0 HG23 VAL A 16 -1.456 2.186 3.054 1.00 72.04 H new ATOM 258 N LYS A 17 -1.485 3.993 5.704 1.00 50.22 N ATOM 259 CA LYS A 17 -1.211 5.396 5.452 1.00 41.41 C ATOM 260 C LYS A 17 0.198 5.568 4.939 1.00 43.15 C ATOM 261 O LYS A 17 1.143 4.988 5.473 1.00 64.40 O ATOM 262 CB LYS A 17 -1.396 6.181 6.736 1.00 4.40 C ATOM 263 CG LYS A 17 -1.024 7.653 6.677 1.00 4.42 C ATOM 264 CD LYS A 17 -1.173 8.266 8.056 1.00 23.45 C ATOM 265 CE LYS A 17 -0.482 9.611 8.174 1.00 52.13 C ATOM 266 NZ LYS A 17 -0.292 9.984 9.600 1.00 10.32 N ATOM 0 H LYS A 17 -0.837 3.552 6.357 1.00 50.22 H new ATOM 0 HA LYS A 17 -1.903 5.768 4.696 1.00 41.41 H new ATOM 0 HB2 LYS A 17 -2.440 6.103 7.039 1.00 4.40 H new ATOM 0 HB3 LYS A 17 -0.801 5.707 7.517 1.00 4.40 H new ATOM 0 HG2 LYS A 17 0.001 7.766 6.325 1.00 4.42 H new ATOM 0 HG3 LYS A 17 -1.665 8.173 5.965 1.00 4.42 H new ATOM 0 HD2 LYS A 17 -2.232 8.385 8.284 1.00 23.45 H new ATOM 0 HD3 LYS A 17 -0.761 7.584 8.799 1.00 23.45 H new ATOM 0 HE2 LYS A 17 0.485 9.574 7.671 1.00 52.13 H new ATOM 0 HE3 LYS A 17 -1.074 10.375 7.670 1.00 52.13 H new ATOM 0 HZ1 LYS A 17 0.257 10.865 9.658 1.00 10.32 H new ATOM 0 HZ2 LYS A 17 -1.220 10.124 10.049 1.00 10.32 H new ATOM 0 HZ3 LYS A 17 0.220 9.224 10.092 1.00 10.32 H new ATOM 280 N VAL A 18 0.328 6.383 3.920 1.00 0.41 N ATOM 281 CA VAL A 18 1.610 6.591 3.265 1.00 21.51 C ATOM 282 C VAL A 18 2.480 7.541 4.075 1.00 14.11 C ATOM 283 O VAL A 18 2.337 8.763 3.982 1.00 53.04 O ATOM 284 CB VAL A 18 1.442 7.139 1.828 1.00 14.23 C ATOM 285 CG1 VAL A 18 2.796 7.313 1.150 1.00 21.44 C ATOM 286 CG2 VAL A 18 0.553 6.219 1.007 1.00 53.41 C ATOM 0 H VAL A 18 -0.441 6.920 3.519 1.00 0.41 H new ATOM 0 HA VAL A 18 2.097 5.618 3.202 1.00 21.51 H new ATOM 0 HB VAL A 18 0.965 8.117 1.893 1.00 14.23 H new ATOM 0 HG11 VAL A 18 2.651 7.699 0.141 1.00 21.44 H new ATOM 0 HG12 VAL A 18 3.403 8.014 1.723 1.00 21.44 H new ATOM 0 HG13 VAL A 18 3.304 6.350 1.100 1.00 21.44 H new ATOM 0 HG21 VAL A 18 0.446 6.620 -0.001 1.00 53.41 H new ATOM 0 HG22 VAL A 18 1.003 5.228 0.957 1.00 53.41 H new ATOM 0 HG23 VAL A 18 -0.429 6.148 1.475 1.00 53.41 H new ATOM 296 N ILE A 19 3.345 6.968 4.901 1.00 24.34 N ATOM 297 CA ILE A 19 4.315 7.747 5.657 1.00 23.13 C ATOM 298 C ILE A 19 5.304 8.401 4.704 1.00 13.32 C ATOM 299 O ILE A 19 5.566 9.603 4.781 1.00 62.32 O ATOM 300 CB ILE A 19 5.107 6.874 6.649 1.00 54.44 C ATOM 301 CG1 ILE A 19 4.162 6.026 7.500 1.00 70.24 C ATOM 302 CG2 ILE A 19 5.988 7.748 7.532 1.00 61.42 C ATOM 303 CD1 ILE A 19 4.878 5.165 8.517 1.00 3.41 C ATOM 0 H ILE A 19 3.394 5.962 5.065 1.00 24.34 H new ATOM 0 HA ILE A 19 3.759 8.498 6.218 1.00 23.13 H new ATOM 0 HB ILE A 19 5.746 6.198 6.081 1.00 54.44 H new ATOM 0 HG12 ILE A 19 3.464 6.683 8.019 1.00 70.24 H new ATOM 0 HG13 ILE A 19 3.571 5.386 6.845 1.00 70.24 H new ATOM 0 HG21 ILE A 19 6.542 7.119 8.229 1.00 61.42 H new ATOM 0 HG22 ILE A 19 6.688 8.305 6.910 1.00 61.42 H new ATOM 0 HG23 ILE A 19 5.365 8.446 8.091 1.00 61.42 H new ATOM 0 HD11 ILE A 19 4.147 4.590 9.086 1.00 3.41 H new ATOM 0 HD12 ILE A 19 5.556 4.483 8.004 1.00 3.41 H new ATOM 0 HD13 ILE A 19 5.447 5.800 9.195 1.00 3.41 H new ATOM 315 N GLY A 20 5.840 7.597 3.796 1.00 31.14 N ATOM 316 CA GLY A 20 6.808 8.097 2.854 1.00 75.50 C ATOM 317 C GLY A 20 7.149 7.091 1.776 1.00 11.14 C ATOM 318 O GLY A 20 6.681 5.952 1.795 1.00 42.14 O ATOM 0 H GLY A 20 5.618 6.606 3.699 1.00 31.14 H new ATOM 0 HA2 GLY A 20 6.421 9.004 2.389 1.00 75.50 H new ATOM 0 HA3 GLY A 20 7.717 8.374 3.387 1.00 75.50 H new ATOM 322 N ILE A 21 7.974 7.528 0.845 1.00 21.32 N ATOM 323 CA ILE A 21 8.406 6.720 -0.284 1.00 0.33 C ATOM 324 C ILE A 21 9.927 6.602 -0.234 1.00 32.31 C ATOM 325 O ILE A 21 10.579 7.405 0.436 1.00 41.34 O ATOM 326 CB ILE A 21 7.952 7.360 -1.623 1.00 1.41 C ATOM 327 CG1 ILE A 21 6.433 7.572 -1.620 1.00 42.25 C ATOM 328 CG2 ILE A 21 8.364 6.507 -2.818 1.00 44.12 C ATOM 329 CD1 ILE A 21 5.900 8.209 -2.888 1.00 70.01 C ATOM 0 H ILE A 21 8.370 8.468 0.849 1.00 21.32 H new ATOM 0 HA ILE A 21 7.954 5.730 -0.224 1.00 0.33 H new ATOM 0 HB ILE A 21 8.448 8.326 -1.717 1.00 1.41 H new ATOM 0 HG12 ILE A 21 5.942 6.610 -1.474 1.00 42.25 H new ATOM 0 HG13 ILE A 21 6.165 8.199 -0.770 1.00 42.25 H new ATOM 0 HG21 ILE A 21 8.030 6.985 -3.739 1.00 44.12 H new ATOM 0 HG22 ILE A 21 9.449 6.405 -2.835 1.00 44.12 H new ATOM 0 HG23 ILE A 21 7.908 5.520 -2.735 1.00 44.12 H new ATOM 0 HD11 ILE A 21 4.819 8.326 -2.810 1.00 70.01 H new ATOM 0 HD12 ILE A 21 6.362 9.187 -3.026 1.00 70.01 H new ATOM 0 HD13 ILE A 21 6.135 7.573 -3.741 1.00 70.01 H new ATOM 341 N VAL A 22 10.487 5.598 -0.890 1.00 31.22 N ATOM 342 CA VAL A 22 11.934 5.428 -0.941 1.00 62.52 C ATOM 343 C VAL A 22 12.466 5.950 -2.278 1.00 2.01 C ATOM 344 O VAL A 22 12.513 5.229 -3.274 1.00 52.24 O ATOM 345 CB VAL A 22 12.357 3.955 -0.740 1.00 34.43 C ATOM 346 CG1 VAL A 22 13.874 3.819 -0.734 1.00 74.21 C ATOM 347 CG2 VAL A 22 11.767 3.397 0.546 1.00 15.12 C ATOM 0 H VAL A 22 9.961 4.886 -1.396 1.00 31.22 H new ATOM 0 HA VAL A 22 12.364 6.002 -0.120 1.00 62.52 H new ATOM 0 HB VAL A 22 11.968 3.376 -1.578 1.00 34.43 H new ATOM 0 HG11 VAL A 22 14.145 2.773 -0.591 1.00 74.21 H new ATOM 0 HG12 VAL A 22 14.275 4.171 -1.685 1.00 74.21 H new ATOM 0 HG13 VAL A 22 14.290 4.416 0.078 1.00 74.21 H new ATOM 0 HG21 VAL A 22 12.077 2.359 0.668 1.00 15.12 H new ATOM 0 HG22 VAL A 22 12.121 3.984 1.393 1.00 15.12 H new ATOM 0 HG23 VAL A 22 10.679 3.448 0.499 1.00 15.12 H new ATOM 357 N PRO A 23 12.823 7.251 -2.314 1.00 34.32 N ATOM 358 CA PRO A 23 13.155 7.969 -3.552 1.00 4.15 C ATOM 359 C PRO A 23 14.282 7.325 -4.350 1.00 51.45 C ATOM 360 O PRO A 23 15.047 6.504 -3.837 1.00 72.53 O ATOM 361 CB PRO A 23 13.583 9.358 -3.064 1.00 65.24 C ATOM 362 CG PRO A 23 12.968 9.495 -1.719 1.00 3.44 C ATOM 363 CD PRO A 23 12.974 8.115 -1.134 1.00 23.12 C ATOM 0 HA PRO A 23 12.305 7.975 -4.235 1.00 4.15 H new ATOM 0 HB2 PRO A 23 14.669 9.442 -3.013 1.00 65.24 H new ATOM 0 HB3 PRO A 23 13.234 10.139 -3.740 1.00 65.24 H new ATOM 0 HG2 PRO A 23 13.535 10.188 -1.097 1.00 3.44 H new ATOM 0 HG3 PRO A 23 11.953 9.887 -1.789 1.00 3.44 H new ATOM 0 HD2 PRO A 23 13.901 7.908 -0.599 1.00 23.12 H new ATOM 0 HD3 PRO A 23 12.158 7.974 -0.425 1.00 23.12 H new ATOM 371 N GLU A 24 14.370 7.733 -5.614 1.00 25.14 N ATOM 372 CA GLU A 24 15.362 7.222 -6.558 1.00 4.41 C ATOM 373 C GLU A 24 15.125 5.739 -6.864 1.00 31.42 C ATOM 374 O GLU A 24 15.998 5.048 -7.392 1.00 40.35 O ATOM 375 CB GLU A 24 16.776 7.464 -6.025 1.00 45.44 C ATOM 376 CG GLU A 24 17.834 7.539 -7.111 1.00 32.14 C ATOM 377 CD GLU A 24 19.175 7.982 -6.581 1.00 53.20 C ATOM 378 OE1 GLU A 24 19.297 9.152 -6.161 1.00 34.33 O ATOM 379 OE2 GLU A 24 20.123 7.173 -6.602 1.00 24.44 O ATOM 0 H GLU A 24 13.748 8.435 -6.016 1.00 25.14 H new ATOM 0 HA GLU A 24 15.255 7.765 -7.497 1.00 4.41 H new ATOM 0 HB2 GLU A 24 16.786 8.394 -5.456 1.00 45.44 H new ATOM 0 HB3 GLU A 24 17.035 6.663 -5.332 1.00 45.44 H new ATOM 0 HG2 GLU A 24 17.938 6.561 -7.581 1.00 32.14 H new ATOM 0 HG3 GLU A 24 17.506 8.232 -7.886 1.00 32.14 H new ATOM 386 N SER A 25 13.932 5.263 -6.537 1.00 52.24 N ATOM 387 CA SER A 25 13.497 3.942 -6.926 1.00 14.13 C ATOM 388 C SER A 25 12.826 4.012 -8.294 1.00 45.34 C ATOM 389 O SER A 25 12.256 5.044 -8.658 1.00 33.33 O ATOM 390 CB SER A 25 12.507 3.414 -5.892 1.00 2.33 C ATOM 391 OG SER A 25 13.154 2.657 -4.884 1.00 21.40 O ATOM 0 H SER A 25 13.244 5.786 -5.995 1.00 52.24 H new ATOM 0 HA SER A 25 14.355 3.272 -6.981 1.00 14.13 H new ATOM 0 HB2 SER A 25 11.978 4.250 -5.435 1.00 2.33 H new ATOM 0 HB3 SER A 25 11.759 2.795 -6.388 1.00 2.33 H new ATOM 0 HG SER A 25 12.520 2.464 -4.162 1.00 21.40 H new ATOM 397 N LYS A 26 12.883 2.925 -9.047 1.00 20.01 N ATOM 398 CA LYS A 26 12.238 2.875 -10.352 1.00 12.13 C ATOM 399 C LYS A 26 10.731 2.726 -10.187 1.00 51.43 C ATOM 400 O LYS A 26 9.951 3.343 -10.914 1.00 5.24 O ATOM 401 CB LYS A 26 12.792 1.722 -11.194 1.00 74.13 C ATOM 402 CG LYS A 26 14.265 1.861 -11.544 1.00 12.33 C ATOM 403 CD LYS A 26 14.536 3.123 -12.352 1.00 34.11 C ATOM 404 CE LYS A 26 15.962 3.148 -12.876 1.00 55.00 C ATOM 405 NZ LYS A 26 16.275 4.406 -13.610 1.00 61.41 N ATOM 0 H LYS A 26 13.367 2.068 -8.780 1.00 20.01 H new ATOM 0 HA LYS A 26 12.449 3.809 -10.872 1.00 12.13 H new ATOM 0 HB2 LYS A 26 12.645 0.788 -10.653 1.00 74.13 H new ATOM 0 HB3 LYS A 26 12.216 1.650 -12.116 1.00 74.13 H new ATOM 0 HG2 LYS A 26 14.856 1.881 -10.628 1.00 12.33 H new ATOM 0 HG3 LYS A 26 14.588 0.989 -12.112 1.00 12.33 H new ATOM 0 HD2 LYS A 26 13.838 3.179 -13.188 1.00 34.11 H new ATOM 0 HD3 LYS A 26 14.360 4.000 -11.730 1.00 34.11 H new ATOM 0 HE2 LYS A 26 16.655 3.035 -12.042 1.00 55.00 H new ATOM 0 HE3 LYS A 26 16.118 2.296 -13.538 1.00 55.00 H new ATOM 0 HZ1 LYS A 26 17.258 4.375 -13.948 1.00 61.41 H new ATOM 0 HZ2 LYS A 26 15.633 4.503 -14.422 1.00 61.41 H new ATOM 0 HZ3 LYS A 26 16.153 5.219 -12.973 1.00 61.41 H new ATOM 419 N VAL A 27 10.323 1.923 -9.209 1.00 53.22 N ATOM 420 CA VAL A 27 8.906 1.730 -8.915 1.00 14.44 C ATOM 421 C VAL A 27 8.286 3.015 -8.370 1.00 52.14 C ATOM 422 O VAL A 27 7.075 3.200 -8.417 1.00 72.20 O ATOM 423 CB VAL A 27 8.673 0.575 -7.916 1.00 23.40 C ATOM 424 CG1 VAL A 27 9.147 -0.745 -8.505 1.00 54.55 C ATOM 425 CG2 VAL A 27 9.365 0.852 -6.588 1.00 44.13 C ATOM 0 H VAL A 27 10.954 1.395 -8.606 1.00 53.22 H new ATOM 0 HA VAL A 27 8.421 1.465 -9.855 1.00 14.44 H new ATOM 0 HB VAL A 27 7.602 0.503 -7.727 1.00 23.40 H new ATOM 0 HG11 VAL A 27 8.975 -1.547 -7.787 1.00 54.55 H new ATOM 0 HG12 VAL A 27 8.595 -0.954 -9.421 1.00 54.55 H new ATOM 0 HG13 VAL A 27 10.212 -0.682 -8.730 1.00 54.55 H new ATOM 0 HG21 VAL A 27 9.184 0.023 -5.904 1.00 44.13 H new ATOM 0 HG22 VAL A 27 10.437 0.960 -6.752 1.00 44.13 H new ATOM 0 HG23 VAL A 27 8.969 1.771 -6.156 1.00 44.13 H new ATOM 435 N ARG A 28 9.144 3.907 -7.880 1.00 41.10 N ATOM 436 CA ARG A 28 8.727 5.216 -7.382 1.00 20.41 C ATOM 437 C ARG A 28 8.005 5.997 -8.484 1.00 41.12 C ATOM 438 O ARG A 28 7.087 6.776 -8.215 1.00 70.41 O ATOM 439 CB ARG A 28 9.971 5.959 -6.858 1.00 12.43 C ATOM 440 CG ARG A 28 9.795 7.445 -6.555 1.00 41.23 C ATOM 441 CD ARG A 28 9.956 8.303 -7.806 1.00 41.23 C ATOM 442 NE ARG A 28 11.073 7.854 -8.639 1.00 62.20 N ATOM 443 CZ ARG A 28 11.191 8.125 -9.938 1.00 3.14 C ATOM 444 NH1 ARG A 28 10.280 8.869 -10.551 1.00 60.15 N ATOM 445 NH2 ARG A 28 12.218 7.645 -10.624 1.00 73.41 N ATOM 0 H ARG A 28 10.149 3.743 -7.817 1.00 41.10 H new ATOM 0 HA ARG A 28 8.019 5.106 -6.561 1.00 20.41 H new ATOM 0 HB2 ARG A 28 10.308 5.462 -5.948 1.00 12.43 H new ATOM 0 HB3 ARG A 28 10.768 5.852 -7.594 1.00 12.43 H new ATOM 0 HG2 ARG A 28 8.808 7.613 -6.124 1.00 41.23 H new ATOM 0 HG3 ARG A 28 10.526 7.752 -5.807 1.00 41.23 H new ATOM 0 HD2 ARG A 28 9.035 8.272 -8.388 1.00 41.23 H new ATOM 0 HD3 ARG A 28 10.115 9.341 -7.515 1.00 41.23 H new ATOM 0 HE ARG A 28 11.806 7.299 -8.197 1.00 62.20 H new ATOM 0 HH11 ARG A 28 9.485 9.236 -10.028 1.00 60.15 H new ATOM 0 HH12 ARG A 28 10.374 9.074 -11.546 1.00 60.15 H new ATOM 0 HH21 ARG A 28 12.918 7.068 -10.157 1.00 73.41 H new ATOM 0 HH22 ARG A 28 12.309 7.852 -11.619 1.00 73.41 H new ATOM 459 N ARG A 29 8.421 5.772 -9.725 1.00 24.13 N ATOM 460 CA ARG A 29 7.771 6.383 -10.877 1.00 51.41 C ATOM 461 C ARG A 29 6.342 5.858 -10.990 1.00 53.35 C ATOM 462 O ARG A 29 5.397 6.628 -11.142 1.00 3.22 O ATOM 463 CB ARG A 29 8.582 6.081 -12.152 1.00 14.30 C ATOM 464 CG ARG A 29 8.082 6.766 -13.422 1.00 53.12 C ATOM 465 CD ARG A 29 6.897 6.037 -14.036 1.00 45.41 C ATOM 466 NE ARG A 29 6.521 6.589 -15.333 1.00 42.04 N ATOM 467 CZ ARG A 29 5.580 6.067 -16.119 1.00 35.33 C ATOM 468 NH1 ARG A 29 4.873 5.020 -15.709 1.00 71.44 N ATOM 469 NH2 ARG A 29 5.343 6.602 -17.307 1.00 23.42 N ATOM 0 H ARG A 29 9.209 5.168 -9.959 1.00 24.13 H new ATOM 0 HA ARG A 29 7.730 7.465 -10.752 1.00 51.41 H new ATOM 0 HB2 ARG A 29 9.617 6.377 -11.983 1.00 14.30 H new ATOM 0 HB3 ARG A 29 8.582 5.003 -12.316 1.00 14.30 H new ATOM 0 HG2 ARG A 29 7.796 7.792 -13.191 1.00 53.12 H new ATOM 0 HG3 ARG A 29 8.892 6.817 -14.149 1.00 53.12 H new ATOM 0 HD2 ARG A 29 7.142 4.981 -14.150 1.00 45.41 H new ATOM 0 HD3 ARG A 29 6.046 6.096 -13.358 1.00 45.41 H new ATOM 0 HE ARG A 29 7.008 7.425 -15.658 1.00 42.04 H new ATOM 0 HH11 ARG A 29 5.050 4.613 -14.790 1.00 71.44 H new ATOM 0 HH12 ARG A 29 4.153 4.623 -16.313 1.00 71.44 H new ATOM 0 HH21 ARG A 29 5.880 7.411 -17.618 1.00 23.42 H new ATOM 0 HH22 ARG A 29 4.623 6.205 -17.911 1.00 23.42 H new ATOM 483 N LYS A 30 6.207 4.543 -10.884 1.00 44.33 N ATOM 484 CA LYS A 30 4.909 3.877 -10.944 1.00 34.13 C ATOM 485 C LYS A 30 4.001 4.366 -9.819 1.00 30.02 C ATOM 486 O LYS A 30 2.855 4.739 -10.052 1.00 33.01 O ATOM 487 CB LYS A 30 5.113 2.364 -10.823 1.00 14.13 C ATOM 488 CG LYS A 30 3.827 1.550 -10.786 1.00 64.51 C ATOM 489 CD LYS A 30 3.156 1.471 -12.146 1.00 64.11 C ATOM 490 CE LYS A 30 1.917 0.589 -12.098 1.00 34.31 C ATOM 491 NZ LYS A 30 2.240 -0.811 -11.697 1.00 54.43 N ATOM 0 H LYS A 30 6.993 3.906 -10.754 1.00 44.33 H new ATOM 0 HA LYS A 30 4.434 4.112 -11.897 1.00 34.13 H new ATOM 0 HB2 LYS A 30 5.718 2.024 -11.664 1.00 14.13 H new ATOM 0 HB3 LYS A 30 5.683 2.159 -9.917 1.00 14.13 H new ATOM 0 HG2 LYS A 30 4.047 0.543 -10.433 1.00 64.51 H new ATOM 0 HG3 LYS A 30 3.138 1.996 -10.069 1.00 64.51 H new ATOM 0 HD2 LYS A 30 2.880 2.472 -12.477 1.00 64.11 H new ATOM 0 HD3 LYS A 30 3.859 1.075 -12.879 1.00 64.11 H new ATOM 0 HE2 LYS A 30 1.199 1.011 -11.394 1.00 34.31 H new ATOM 0 HE3 LYS A 30 1.438 0.584 -13.077 1.00 34.31 H new ATOM 0 HZ1 LYS A 30 1.416 -1.421 -11.872 1.00 54.43 H new ATOM 0 HZ2 LYS A 30 3.049 -1.154 -12.254 1.00 54.43 H new ATOM 0 HZ3 LYS A 30 2.481 -0.836 -10.686 1.00 54.43 H new ATOM 505 N ILE A 31 4.536 4.351 -8.604 1.00 12.53 N ATOM 506 CA ILE A 31 3.805 4.764 -7.406 1.00 3.22 C ATOM 507 C ILE A 31 3.201 6.160 -7.559 1.00 65.14 C ATOM 508 O ILE A 31 1.999 6.353 -7.357 1.00 40.11 O ATOM 509 CB ILE A 31 4.730 4.744 -6.167 1.00 11.31 C ATOM 510 CG1 ILE A 31 5.277 3.335 -5.941 1.00 73.02 C ATOM 511 CG2 ILE A 31 3.986 5.232 -4.930 1.00 4.00 C ATOM 512 CD1 ILE A 31 6.358 3.261 -4.885 1.00 53.24 C ATOM 0 H ILE A 31 5.493 4.051 -8.418 1.00 12.53 H new ATOM 0 HA ILE A 31 2.993 4.050 -7.270 1.00 3.22 H new ATOM 0 HB ILE A 31 5.566 5.420 -6.349 1.00 11.31 H new ATOM 0 HG12 ILE A 31 4.456 2.678 -5.653 1.00 73.02 H new ATOM 0 HG13 ILE A 31 5.675 2.955 -6.882 1.00 73.02 H new ATOM 0 HG21 ILE A 31 4.656 5.210 -4.070 1.00 4.00 H new ATOM 0 HG22 ILE A 31 3.639 6.252 -5.093 1.00 4.00 H new ATOM 0 HG23 ILE A 31 3.131 4.584 -4.741 1.00 4.00 H new ATOM 0 HD11 ILE A 31 6.696 2.230 -4.782 1.00 53.24 H new ATOM 0 HD12 ILE A 31 7.198 3.890 -5.179 1.00 53.24 H new ATOM 0 HD13 ILE A 31 5.960 3.610 -3.932 1.00 53.24 H new ATOM 524 N MET A 32 4.031 7.129 -7.930 1.00 4.14 N ATOM 525 CA MET A 32 3.575 8.511 -8.046 1.00 54.43 C ATOM 526 C MET A 32 2.647 8.689 -9.240 1.00 52.00 C ATOM 527 O MET A 32 1.719 9.496 -9.198 1.00 0.35 O ATOM 528 CB MET A 32 4.761 9.471 -8.153 1.00 11.11 C ATOM 529 CG MET A 32 5.554 9.600 -6.864 1.00 2.14 C ATOM 530 SD MET A 32 6.940 10.748 -7.006 1.00 14.14 S ATOM 531 CE MET A 32 7.562 10.724 -5.326 1.00 2.43 C ATOM 0 H MET A 32 5.016 6.986 -8.154 1.00 4.14 H new ATOM 0 HA MET A 32 3.016 8.747 -7.141 1.00 54.43 H new ATOM 0 HB2 MET A 32 5.425 9.128 -8.946 1.00 11.11 H new ATOM 0 HB3 MET A 32 4.396 10.455 -8.446 1.00 11.11 H new ATOM 0 HG2 MET A 32 4.891 9.936 -6.067 1.00 2.14 H new ATOM 0 HG3 MET A 32 5.929 8.619 -6.574 1.00 2.14 H new ATOM 0 HE1 MET A 32 8.424 11.386 -5.248 1.00 2.43 H new ATOM 0 HE2 MET A 32 6.782 11.062 -4.644 1.00 2.43 H new ATOM 0 HE3 MET A 32 7.859 9.709 -5.063 1.00 2.43 H new ATOM 541 N ASP A 33 2.891 7.929 -10.300 1.00 31.13 N ATOM 542 CA ASP A 33 2.051 7.989 -11.495 1.00 23.20 C ATOM 543 C ASP A 33 0.698 7.345 -11.218 1.00 0.05 C ATOM 544 O ASP A 33 -0.298 7.631 -11.885 1.00 62.45 O ATOM 545 CB ASP A 33 2.743 7.283 -12.666 1.00 2.01 C ATOM 546 CG ASP A 33 2.016 7.472 -13.983 1.00 53.32 C ATOM 547 OD1 ASP A 33 1.895 8.631 -14.442 1.00 4.22 O ATOM 548 OD2 ASP A 33 1.565 6.462 -14.567 1.00 41.22 O ATOM 0 H ASP A 33 3.662 7.264 -10.359 1.00 31.13 H new ATOM 0 HA ASP A 33 1.895 9.034 -11.761 1.00 23.20 H new ATOM 0 HB2 ASP A 33 3.761 7.661 -12.761 1.00 2.01 H new ATOM 0 HB3 ASP A 33 2.818 6.218 -12.448 1.00 2.01 H new ATOM 553 N MET A 34 0.674 6.481 -10.214 1.00 52.02 N ATOM 554 CA MET A 34 -0.543 5.792 -9.813 1.00 44.35 C ATOM 555 C MET A 34 -1.435 6.716 -8.986 1.00 54.01 C ATOM 556 O MET A 34 -2.645 6.512 -8.887 1.00 51.30 O ATOM 557 CB MET A 34 -0.193 4.544 -9.002 1.00 64.23 C ATOM 558 CG MET A 34 -1.152 3.389 -9.216 1.00 2.33 C ATOM 559 SD MET A 34 -1.104 2.754 -10.904 1.00 60.21 S ATOM 560 CE MET A 34 -2.343 1.464 -10.820 1.00 2.44 C ATOM 0 H MET A 34 1.493 6.239 -9.657 1.00 52.02 H new ATOM 0 HA MET A 34 -1.086 5.496 -10.711 1.00 44.35 H new ATOM 0 HB2 MET A 34 0.815 4.222 -9.265 1.00 64.23 H new ATOM 0 HB3 MET A 34 -0.179 4.802 -7.943 1.00 64.23 H new ATOM 0 HG2 MET A 34 -0.908 2.585 -8.522 1.00 2.33 H new ATOM 0 HG3 MET A 34 -2.166 3.715 -8.983 1.00 2.33 H new ATOM 0 HE1 MET A 34 -2.191 0.760 -11.638 1.00 2.44 H new ATOM 0 HE2 MET A 34 -2.258 0.939 -9.869 1.00 2.44 H new ATOM 0 HE3 MET A 34 -3.336 1.907 -10.902 1.00 2.44 H new ATOM 570 N GLY A 35 -0.824 7.735 -8.393 1.00 31.00 N ATOM 571 CA GLY A 35 -1.575 8.694 -7.607 1.00 44.40 C ATOM 572 C GLY A 35 -1.212 8.662 -6.138 1.00 22.20 C ATOM 573 O GLY A 35 -1.836 9.342 -5.325 1.00 73.15 O ATOM 0 H GLY A 35 0.179 7.914 -8.443 1.00 31.00 H new ATOM 0 HA2 GLY A 35 -1.398 9.696 -7.998 1.00 44.40 H new ATOM 0 HA3 GLY A 35 -2.640 8.492 -7.718 1.00 44.40 H new ATOM 577 N ILE A 36 -0.209 7.872 -5.790 1.00 31.44 N ATOM 578 CA ILE A 36 0.239 7.777 -4.409 1.00 33.44 C ATOM 579 C ILE A 36 1.378 8.752 -4.169 1.00 51.12 C ATOM 580 O ILE A 36 2.349 8.779 -4.928 1.00 2.15 O ATOM 581 CB ILE A 36 0.717 6.356 -4.067 1.00 22.32 C ATOM 582 CG1 ILE A 36 -0.337 5.333 -4.487 1.00 54.11 C ATOM 583 CG2 ILE A 36 1.015 6.233 -2.579 1.00 51.30 C ATOM 584 CD1 ILE A 36 0.132 3.896 -4.406 1.00 34.14 C ATOM 0 H ILE A 36 0.311 7.287 -6.444 1.00 31.44 H new ATOM 0 HA ILE A 36 -0.609 8.021 -3.769 1.00 33.44 H new ATOM 0 HB ILE A 36 1.638 6.157 -4.616 1.00 22.32 H new ATOM 0 HG12 ILE A 36 -1.217 5.453 -3.855 1.00 54.11 H new ATOM 0 HG13 ILE A 36 -0.648 5.546 -5.510 1.00 54.11 H new ATOM 0 HG21 ILE A 36 1.352 5.220 -2.358 1.00 51.30 H new ATOM 0 HG22 ILE A 36 1.795 6.943 -2.304 1.00 51.30 H new ATOM 0 HG23 ILE A 36 0.112 6.448 -2.008 1.00 51.30 H new ATOM 0 HD11 ILE A 36 -0.673 3.232 -4.720 1.00 34.14 H new ATOM 0 HD12 ILE A 36 0.993 3.757 -5.060 1.00 34.14 H new ATOM 0 HD13 ILE A 36 0.415 3.663 -3.379 1.00 34.14 H new ATOM 596 N VAL A 37 1.263 9.549 -3.121 1.00 72.43 N ATOM 597 CA VAL A 37 2.265 10.574 -2.851 1.00 41.34 C ATOM 598 C VAL A 37 2.713 10.588 -1.389 1.00 21.01 C ATOM 599 O VAL A 37 3.808 10.130 -1.066 1.00 53.54 O ATOM 600 CB VAL A 37 1.774 11.986 -3.268 1.00 40.20 C ATOM 601 CG1 VAL A 37 1.907 12.173 -4.772 1.00 21.10 C ATOM 602 CG2 VAL A 37 0.330 12.220 -2.842 1.00 72.33 C ATOM 0 H VAL A 37 0.497 9.511 -2.448 1.00 72.43 H new ATOM 0 HA VAL A 37 3.129 10.311 -3.462 1.00 41.34 H new ATOM 0 HB VAL A 37 2.402 12.717 -2.760 1.00 40.20 H new ATOM 0 HG11 VAL A 37 1.558 13.168 -5.047 1.00 21.10 H new ATOM 0 HG12 VAL A 37 2.952 12.062 -5.061 1.00 21.10 H new ATOM 0 HG13 VAL A 37 1.306 11.423 -5.286 1.00 21.10 H new ATOM 0 HG21 VAL A 37 0.017 13.218 -3.149 1.00 72.33 H new ATOM 0 HG22 VAL A 37 -0.313 11.477 -3.313 1.00 72.33 H new ATOM 0 HG23 VAL A 37 0.252 12.133 -1.758 1.00 72.33 H new ATOM 612 N ARG A 38 1.869 11.103 -0.511 1.00 61.03 N ATOM 613 CA ARG A 38 2.228 11.287 0.888 1.00 4.12 C ATOM 614 C ARG A 38 0.981 11.545 1.713 1.00 74.15 C ATOM 615 O ARG A 38 0.169 12.404 1.370 1.00 4.11 O ATOM 616 CB ARG A 38 3.209 12.458 1.025 1.00 54.14 C ATOM 617 CG ARG A 38 3.446 12.914 2.456 1.00 11.13 C ATOM 618 CD ARG A 38 4.446 14.056 2.501 1.00 1.44 C ATOM 619 NE ARG A 38 4.434 14.756 3.781 1.00 3.22 N ATOM 620 CZ ARG A 38 5.229 15.785 4.068 1.00 34.40 C ATOM 621 NH1 ARG A 38 6.169 16.155 3.207 1.00 52.22 N ATOM 622 NH2 ARG A 38 5.100 16.418 5.225 1.00 24.13 N ATOM 0 H ARG A 38 0.922 11.404 -0.744 1.00 61.03 H new ATOM 0 HA ARG A 38 2.709 10.381 1.256 1.00 4.12 H new ATOM 0 HB2 ARG A 38 4.164 12.170 0.585 1.00 54.14 H new ATOM 0 HB3 ARG A 38 2.833 13.301 0.445 1.00 54.14 H new ATOM 0 HG2 ARG A 38 2.504 13.233 2.901 1.00 11.13 H new ATOM 0 HG3 ARG A 38 3.814 12.079 3.052 1.00 11.13 H new ATOM 0 HD2 ARG A 38 5.447 13.667 2.312 1.00 1.44 H new ATOM 0 HD3 ARG A 38 4.223 14.762 1.702 1.00 1.44 H new ATOM 0 HE ARG A 38 3.780 14.439 4.497 1.00 3.22 H new ATOM 0 HH11 ARG A 38 6.281 15.651 2.327 1.00 52.22 H new ATOM 0 HH12 ARG A 38 6.779 16.943 3.425 1.00 52.22 H new ATOM 0 HH21 ARG A 38 4.392 16.117 5.895 1.00 24.13 H new ATOM 0 HH22 ARG A 38 5.709 17.206 5.446 1.00 24.13 H new ATOM 636 N GLY A 39 0.824 10.784 2.788 1.00 74.11 N ATOM 637 CA GLY A 39 -0.340 10.927 3.639 1.00 41.13 C ATOM 638 C GLY A 39 -1.582 10.344 3.003 1.00 33.05 C ATOM 639 O GLY A 39 -2.684 10.477 3.534 1.00 35.41 O ATOM 0 H GLY A 39 1.485 10.067 3.086 1.00 74.11 H new ATOM 0 HA2 GLY A 39 -0.155 10.433 4.593 1.00 41.13 H new ATOM 0 HA3 GLY A 39 -0.504 11.983 3.854 1.00 41.13 H new ATOM 643 N THR A 40 -1.400 9.701 1.861 1.00 54.33 N ATOM 644 CA THR A 40 -2.501 9.096 1.142 1.00 62.32 C ATOM 645 C THR A 40 -2.954 7.825 1.855 1.00 54.32 C ATOM 646 O THR A 40 -2.136 7.111 2.439 1.00 72.12 O ATOM 647 CB THR A 40 -2.081 8.756 -0.295 1.00 52.21 C ATOM 648 OG1 THR A 40 -1.175 9.758 -0.784 1.00 22.41 O ATOM 649 CG2 THR A 40 -3.297 8.686 -1.209 1.00 62.20 C ATOM 0 H THR A 40 -0.491 9.586 1.412 1.00 54.33 H new ATOM 0 HA THR A 40 -3.326 9.808 1.111 1.00 62.32 H new ATOM 0 HB THR A 40 -1.589 7.783 -0.290 1.00 52.21 H new ATOM 0 HG1 THR A 40 -1.381 9.956 -1.722 1.00 22.41 H new ATOM 0 HG21 THR A 40 -2.977 8.444 -2.222 1.00 62.20 H new ATOM 0 HG22 THR A 40 -3.978 7.915 -0.850 1.00 62.20 H new ATOM 0 HG23 THR A 40 -3.807 9.649 -1.210 1.00 62.20 H new ATOM 657 N GLU A 41 -4.248 7.552 1.828 1.00 70.44 N ATOM 658 CA GLU A 41 -4.776 6.341 2.419 1.00 55.34 C ATOM 659 C GLU A 41 -4.897 5.254 1.370 1.00 24.20 C ATOM 660 O GLU A 41 -5.456 5.469 0.294 1.00 2.53 O ATOM 661 CB GLU A 41 -6.140 6.590 3.057 1.00 72.22 C ATOM 662 CG GLU A 41 -6.104 7.475 4.292 1.00 43.44 C ATOM 663 CD GLU A 41 -7.393 7.401 5.089 1.00 1.15 C ATOM 664 OE1 GLU A 41 -8.470 7.219 4.478 1.00 73.23 O ATOM 665 OE2 GLU A 41 -7.340 7.520 6.332 1.00 52.41 O ATOM 0 H GLU A 41 -4.951 8.156 1.401 1.00 70.44 H new ATOM 0 HA GLU A 41 -4.083 6.019 3.196 1.00 55.34 H new ATOM 0 HB2 GLU A 41 -6.796 7.048 2.316 1.00 72.22 H new ATOM 0 HB3 GLU A 41 -6.582 5.631 3.325 1.00 72.22 H new ATOM 0 HG2 GLU A 41 -5.269 7.177 4.926 1.00 43.44 H new ATOM 0 HG3 GLU A 41 -5.923 8.507 3.992 1.00 43.44 H new ATOM 672 N ILE A 42 -4.368 4.095 1.692 1.00 12.24 N ATOM 673 CA ILE A 42 -4.398 2.960 0.796 1.00 70.52 C ATOM 674 C ILE A 42 -5.144 1.805 1.448 1.00 3.21 C ATOM 675 O ILE A 42 -4.723 1.293 2.485 1.00 71.04 O ATOM 676 CB ILE A 42 -2.968 2.508 0.438 1.00 54.34 C ATOM 677 CG1 ILE A 42 -2.231 3.608 -0.330 1.00 34.12 C ATOM 678 CG2 ILE A 42 -3.000 1.218 -0.369 1.00 41.23 C ATOM 679 CD1 ILE A 42 -0.800 3.256 -0.678 1.00 30.14 C ATOM 0 H ILE A 42 -3.905 3.912 2.582 1.00 12.24 H new ATOM 0 HA ILE A 42 -4.911 3.260 -0.118 1.00 70.52 H new ATOM 0 HB ILE A 42 -2.427 2.318 1.365 1.00 54.34 H new ATOM 0 HG12 ILE A 42 -2.776 3.824 -1.249 1.00 34.12 H new ATOM 0 HG13 ILE A 42 -2.236 4.521 0.266 1.00 34.12 H new ATOM 0 HG21 ILE A 42 -1.981 0.915 -0.612 1.00 41.23 H new ATOM 0 HG22 ILE A 42 -3.481 0.435 0.216 1.00 41.23 H new ATOM 0 HG23 ILE A 42 -3.560 1.379 -1.290 1.00 41.23 H new ATOM 0 HD11 ILE A 42 -0.343 4.084 -1.221 1.00 30.14 H new ATOM 0 HD12 ILE A 42 -0.238 3.069 0.237 1.00 30.14 H new ATOM 0 HD13 ILE A 42 -0.787 2.362 -1.301 1.00 30.14 H new ATOM 691 N TYR A 43 -6.260 1.410 0.864 1.00 62.34 N ATOM 692 CA TYR A 43 -7.002 0.275 1.379 1.00 52.21 C ATOM 693 C TYR A 43 -6.701 -0.947 0.526 1.00 3.34 C ATOM 694 O TYR A 43 -6.940 -0.943 -0.677 1.00 14.41 O ATOM 695 CB TYR A 43 -8.509 0.563 1.399 1.00 40.41 C ATOM 696 CG TYR A 43 -9.277 -0.333 2.350 1.00 3.54 C ATOM 697 CD1 TYR A 43 -9.555 -1.655 2.027 1.00 44.35 C ATOM 698 CD2 TYR A 43 -9.710 0.143 3.582 1.00 62.42 C ATOM 699 CE1 TYR A 43 -10.241 -2.474 2.902 1.00 21.21 C ATOM 700 CE2 TYR A 43 -10.394 -0.671 4.465 1.00 41.24 C ATOM 701 CZ TYR A 43 -10.659 -1.978 4.118 1.00 40.31 C ATOM 702 OH TYR A 43 -11.328 -2.801 4.997 1.00 44.30 O ATOM 0 H TYR A 43 -6.669 1.853 0.041 1.00 62.34 H new ATOM 0 HA TYR A 43 -6.692 0.086 2.407 1.00 52.21 H new ATOM 0 HB2 TYR A 43 -8.669 1.603 1.681 1.00 40.41 H new ATOM 0 HB3 TYR A 43 -8.909 0.441 0.392 1.00 40.41 H new ATOM 0 HD1 TYR A 43 -9.229 -2.049 1.076 1.00 44.35 H new ATOM 0 HD2 TYR A 43 -9.508 1.168 3.854 1.00 62.42 H new ATOM 0 HE1 TYR A 43 -10.449 -3.499 2.634 1.00 21.21 H new ATOM 0 HE2 TYR A 43 -10.719 -0.285 5.420 1.00 41.24 H new ATOM 0 HH TYR A 43 -10.717 -3.492 5.328 1.00 44.30 H new ATOM 712 N ILE A 44 -6.150 -1.976 1.141 1.00 20.30 N ATOM 713 CA ILE A 44 -5.805 -3.188 0.418 1.00 0.22 C ATOM 714 C ILE A 44 -7.056 -4.016 0.150 1.00 24.11 C ATOM 715 O ILE A 44 -7.799 -4.346 1.071 1.00 55.13 O ATOM 716 CB ILE A 44 -4.777 -4.040 1.197 1.00 24.34 C ATOM 717 CG1 ILE A 44 -3.541 -3.199 1.529 1.00 64.22 C ATOM 718 CG2 ILE A 44 -4.385 -5.272 0.392 1.00 10.33 C ATOM 719 CD1 ILE A 44 -2.486 -3.944 2.320 1.00 23.44 C ATOM 0 H ILE A 44 -5.932 -1.999 2.137 1.00 20.30 H new ATOM 0 HA ILE A 44 -5.354 -2.890 -0.528 1.00 0.22 H new ATOM 0 HB ILE A 44 -5.233 -4.373 2.129 1.00 24.34 H new ATOM 0 HG12 ILE A 44 -3.098 -2.839 0.600 1.00 64.22 H new ATOM 0 HG13 ILE A 44 -3.852 -2.321 2.095 1.00 64.22 H new ATOM 0 HG21 ILE A 44 -3.661 -5.860 0.956 1.00 10.33 H new ATOM 0 HG22 ILE A 44 -5.271 -5.877 0.198 1.00 10.33 H new ATOM 0 HG23 ILE A 44 -3.943 -4.962 -0.555 1.00 10.33 H new ATOM 0 HD11 ILE A 44 -1.643 -3.282 2.516 1.00 23.44 H new ATOM 0 HD12 ILE A 44 -2.910 -4.280 3.266 1.00 23.44 H new ATOM 0 HD13 ILE A 44 -2.144 -4.807 1.748 1.00 23.44 H new ATOM 731 N GLU A 45 -7.290 -4.339 -1.111 1.00 42.02 N ATOM 732 CA GLU A 45 -8.446 -5.130 -1.489 1.00 63.24 C ATOM 733 C GLU A 45 -8.136 -6.618 -1.359 1.00 20.32 C ATOM 734 O GLU A 45 -8.774 -7.330 -0.584 1.00 32.43 O ATOM 735 CB GLU A 45 -8.872 -4.794 -2.919 1.00 64.22 C ATOM 736 CG GLU A 45 -9.412 -3.382 -3.072 1.00 21.42 C ATOM 737 CD GLU A 45 -10.667 -3.150 -2.258 1.00 44.13 C ATOM 738 OE1 GLU A 45 -11.767 -3.476 -2.747 1.00 2.23 O ATOM 739 OE2 GLU A 45 -10.563 -2.657 -1.118 1.00 4.41 O ATOM 0 H GLU A 45 -6.693 -4.064 -1.891 1.00 42.02 H new ATOM 0 HA GLU A 45 -9.269 -4.890 -0.816 1.00 63.24 H new ATOM 0 HB2 GLU A 45 -8.018 -4.923 -3.584 1.00 64.22 H new ATOM 0 HB3 GLU A 45 -9.635 -5.504 -3.239 1.00 64.22 H new ATOM 0 HG2 GLU A 45 -8.647 -2.669 -2.765 1.00 21.42 H new ATOM 0 HG3 GLU A 45 -9.624 -3.190 -4.124 1.00 21.42 H new ATOM 746 N GLY A 46 -7.132 -7.070 -2.093 1.00 21.13 N ATOM 747 CA GLY A 46 -6.764 -8.468 -2.064 1.00 52.40 C ATOM 748 C GLY A 46 -5.428 -8.719 -2.728 1.00 73.43 C ATOM 749 O GLY A 46 -4.853 -7.814 -3.335 1.00 74.12 O ATOM 0 H GLY A 46 -6.564 -6.491 -2.711 1.00 21.13 H new ATOM 0 HA2 GLY A 46 -6.724 -8.811 -1.030 1.00 52.40 H new ATOM 0 HA3 GLY A 46 -7.533 -9.055 -2.565 1.00 52.40 H new ATOM 753 N LYS A 47 -4.930 -9.938 -2.606 1.00 12.01 N ATOM 754 CA LYS A 47 -3.666 -10.314 -3.215 1.00 72.04 C ATOM 755 C LYS A 47 -3.865 -11.512 -4.129 1.00 22.41 C ATOM 756 O LYS A 47 -4.693 -12.381 -3.852 1.00 0.53 O ATOM 757 CB LYS A 47 -2.631 -10.655 -2.137 1.00 72.12 C ATOM 758 CG LYS A 47 -2.288 -9.492 -1.219 1.00 52.13 C ATOM 759 CD LYS A 47 -1.672 -9.975 0.086 1.00 32.44 C ATOM 760 CE LYS A 47 -0.411 -10.791 -0.148 1.00 13.03 C ATOM 761 NZ LYS A 47 0.059 -11.447 1.101 1.00 23.42 N ATOM 0 H LYS A 47 -5.386 -10.688 -2.087 1.00 12.01 H new ATOM 0 HA LYS A 47 -3.300 -9.470 -3.800 1.00 72.04 H new ATOM 0 HB2 LYS A 47 -3.008 -11.481 -1.534 1.00 72.12 H new ATOM 0 HB3 LYS A 47 -1.719 -11.004 -2.621 1.00 72.12 H new ATOM 0 HG2 LYS A 47 -1.593 -8.821 -1.724 1.00 52.13 H new ATOM 0 HG3 LYS A 47 -3.189 -8.917 -1.006 1.00 52.13 H new ATOM 0 HD2 LYS A 47 -1.437 -9.117 0.716 1.00 32.44 H new ATOM 0 HD3 LYS A 47 -2.399 -10.579 0.629 1.00 32.44 H new ATOM 0 HE2 LYS A 47 -0.604 -11.549 -0.907 1.00 13.03 H new ATOM 0 HE3 LYS A 47 0.375 -10.143 -0.537 1.00 13.03 H new ATOM 0 HZ1 LYS A 47 0.921 -11.994 0.903 1.00 23.42 H new ATOM 0 HZ2 LYS A 47 0.267 -10.722 1.817 1.00 23.42 H new ATOM 0 HZ3 LYS A 47 -0.681 -12.084 1.458 1.00 23.42 H new ATOM 775 N ALA A 48 -3.120 -11.543 -5.221 1.00 13.54 N ATOM 776 CA ALA A 48 -3.144 -12.677 -6.128 1.00 52.43 C ATOM 777 C ALA A 48 -2.497 -13.892 -5.456 1.00 3.40 C ATOM 778 O ALA A 48 -1.805 -13.739 -4.449 1.00 54.15 O ATOM 779 CB ALA A 48 -2.429 -12.314 -7.422 1.00 0.41 C ATOM 0 H ALA A 48 -2.489 -10.792 -5.501 1.00 13.54 H new ATOM 0 HA ALA A 48 -4.175 -12.934 -6.370 1.00 52.43 H new ATOM 0 HB1 ALA A 48 -2.449 -13.167 -8.100 1.00 0.41 H new ATOM 0 HB2 ALA A 48 -2.931 -11.467 -7.890 1.00 0.41 H new ATOM 0 HB3 ALA A 48 -1.395 -12.048 -7.204 1.00 0.41 H new ATOM 785 N PRO A 49 -2.717 -15.111 -5.989 1.00 51.55 N ATOM 786 CA PRO A 49 -2.167 -16.349 -5.414 1.00 43.13 C ATOM 787 C PRO A 49 -0.659 -16.280 -5.145 1.00 32.43 C ATOM 788 O PRO A 49 -0.180 -16.795 -4.136 1.00 73.23 O ATOM 789 CB PRO A 49 -2.477 -17.420 -6.476 1.00 13.24 C ATOM 790 CG PRO A 49 -2.951 -16.675 -7.682 1.00 21.44 C ATOM 791 CD PRO A 49 -3.538 -15.392 -7.174 1.00 52.40 C ATOM 0 HA PRO A 49 -2.607 -16.555 -4.438 1.00 43.13 H new ATOM 0 HB2 PRO A 49 -1.590 -18.011 -6.705 1.00 13.24 H new ATOM 0 HB3 PRO A 49 -3.239 -18.114 -6.121 1.00 13.24 H new ATOM 0 HG2 PRO A 49 -2.127 -16.482 -8.369 1.00 21.44 H new ATOM 0 HG3 PRO A 49 -3.694 -17.254 -8.230 1.00 21.44 H new ATOM 0 HD2 PRO A 49 -3.469 -14.594 -7.913 1.00 52.40 H new ATOM 0 HD3 PRO A 49 -4.592 -15.501 -6.920 1.00 52.40 H new ATOM 799 N MET A 50 0.083 -15.642 -6.041 1.00 52.12 N ATOM 800 CA MET A 50 1.532 -15.518 -5.885 1.00 30.21 C ATOM 801 C MET A 50 1.881 -14.298 -5.024 1.00 73.13 C ATOM 802 O MET A 50 3.021 -14.126 -4.594 1.00 51.51 O ATOM 803 CB MET A 50 2.192 -15.402 -7.263 1.00 34.24 C ATOM 804 CG MET A 50 3.710 -15.317 -7.228 1.00 64.41 C ATOM 805 SD MET A 50 4.428 -15.069 -8.863 1.00 21.34 S ATOM 806 CE MET A 50 3.654 -13.523 -9.338 1.00 0.21 C ATOM 0 H MET A 50 -0.291 -15.202 -6.882 1.00 52.12 H new ATOM 0 HA MET A 50 1.908 -16.409 -5.382 1.00 30.21 H new ATOM 0 HB2 MET A 50 1.902 -16.264 -7.865 1.00 34.24 H new ATOM 0 HB3 MET A 50 1.802 -14.517 -7.766 1.00 34.24 H new ATOM 0 HG2 MET A 50 4.009 -14.497 -6.576 1.00 64.41 H new ATOM 0 HG3 MET A 50 4.112 -16.233 -6.794 1.00 64.41 H new ATOM 0 HE1 MET A 50 2.962 -13.701 -10.161 1.00 0.21 H new ATOM 0 HE2 MET A 50 3.110 -13.112 -8.488 1.00 0.21 H new ATOM 0 HE3 MET A 50 4.420 -12.815 -9.655 1.00 0.21 H new ATOM 816 N GLY A 51 0.885 -13.464 -4.765 1.00 24.23 N ATOM 817 CA GLY A 51 1.112 -12.230 -4.035 1.00 41.24 C ATOM 818 C GLY A 51 1.377 -11.072 -4.970 1.00 34.03 C ATOM 819 O GLY A 51 1.541 -9.933 -4.536 1.00 41.13 O ATOM 0 H GLY A 51 -0.082 -13.620 -5.048 1.00 24.23 H new ATOM 0 HA2 GLY A 51 0.243 -12.007 -3.416 1.00 41.24 H new ATOM 0 HA3 GLY A 51 1.959 -12.356 -3.361 1.00 41.24 H new ATOM 823 N ASP A 52 1.419 -11.379 -6.259 1.00 23.51 N ATOM 824 CA ASP A 52 1.609 -10.379 -7.298 1.00 53.23 C ATOM 825 C ASP A 52 0.730 -10.734 -8.491 1.00 73.14 C ATOM 826 O ASP A 52 0.695 -11.891 -8.916 1.00 42.31 O ATOM 827 CB ASP A 52 3.082 -10.310 -7.725 1.00 4.24 C ATOM 828 CG ASP A 52 3.357 -9.204 -8.732 1.00 65.41 C ATOM 829 OD1 ASP A 52 3.018 -9.372 -9.921 1.00 71.23 O ATOM 830 OD2 ASP A 52 3.929 -8.164 -8.335 1.00 23.33 O ATOM 0 H ASP A 52 1.322 -12.331 -6.613 1.00 23.51 H new ATOM 0 HA ASP A 52 1.327 -9.400 -6.910 1.00 53.23 H new ATOM 0 HB2 ASP A 52 3.703 -10.154 -6.843 1.00 4.24 H new ATOM 0 HB3 ASP A 52 3.375 -11.267 -8.156 1.00 4.24 H new ATOM 835 N PRO A 53 -0.018 -9.762 -9.027 1.00 25.44 N ATOM 836 CA PRO A 53 -0.038 -8.395 -8.510 1.00 45.03 C ATOM 837 C PRO A 53 -0.944 -8.248 -7.287 1.00 33.50 C ATOM 838 O PRO A 53 -1.559 -9.216 -6.830 1.00 32.13 O ATOM 839 CB PRO A 53 -0.589 -7.598 -9.692 1.00 41.03 C ATOM 840 CG PRO A 53 -1.490 -8.552 -10.399 1.00 41.34 C ATOM 841 CD PRO A 53 -0.906 -9.926 -10.193 1.00 72.52 C ATOM 0 HA PRO A 53 0.943 -8.063 -8.168 1.00 45.03 H new ATOM 0 HB2 PRO A 53 -1.132 -6.714 -9.356 1.00 41.03 H new ATOM 0 HB3 PRO A 53 0.212 -7.251 -10.345 1.00 41.03 H new ATOM 0 HG2 PRO A 53 -2.503 -8.497 -10.000 1.00 41.34 H new ATOM 0 HG3 PRO A 53 -1.552 -8.312 -11.460 1.00 41.34 H new ATOM 0 HD2 PRO A 53 -1.683 -10.666 -10.002 1.00 72.52 H new ATOM 0 HD3 PRO A 53 -0.355 -10.262 -11.071 1.00 72.52 H new ATOM 849 N ILE A 54 -1.018 -7.038 -6.758 1.00 71.14 N ATOM 850 CA ILE A 54 -1.842 -6.767 -5.593 1.00 40.53 C ATOM 851 C ILE A 54 -2.995 -5.840 -5.972 1.00 15.32 C ATOM 852 O ILE A 54 -2.848 -4.975 -6.840 1.00 65.55 O ATOM 853 CB ILE A 54 -1.008 -6.132 -4.452 1.00 53.21 C ATOM 854 CG1 ILE A 54 0.223 -6.994 -4.147 1.00 44.42 C ATOM 855 CG2 ILE A 54 -1.854 -5.955 -3.195 1.00 64.42 C ATOM 856 CD1 ILE A 54 1.125 -6.417 -3.076 1.00 62.12 C ATOM 0 H ILE A 54 -0.516 -6.226 -7.118 1.00 71.14 H new ATOM 0 HA ILE A 54 -2.242 -7.715 -5.235 1.00 40.53 H new ATOM 0 HB ILE A 54 -0.675 -5.148 -4.781 1.00 53.21 H new ATOM 0 HG12 ILE A 54 -0.107 -7.985 -3.835 1.00 44.42 H new ATOM 0 HG13 ILE A 54 0.800 -7.124 -5.063 1.00 44.42 H new ATOM 0 HG21 ILE A 54 -1.247 -5.508 -2.408 1.00 64.42 H new ATOM 0 HG22 ILE A 54 -2.700 -5.304 -3.415 1.00 64.42 H new ATOM 0 HG23 ILE A 54 -2.220 -6.927 -2.863 1.00 64.42 H new ATOM 0 HD11 ILE A 54 1.973 -7.083 -2.917 1.00 62.12 H new ATOM 0 HD12 ILE A 54 1.487 -5.439 -3.393 1.00 62.12 H new ATOM 0 HD13 ILE A 54 0.566 -6.313 -2.146 1.00 62.12 H new ATOM 868 N ALA A 55 -4.144 -6.038 -5.344 1.00 43.01 N ATOM 869 CA ALA A 55 -5.302 -5.196 -5.583 1.00 13.22 C ATOM 870 C ALA A 55 -5.452 -4.183 -4.456 1.00 72.32 C ATOM 871 O ALA A 55 -5.598 -4.553 -3.292 1.00 33.13 O ATOM 872 CB ALA A 55 -6.560 -6.042 -5.720 1.00 21.31 C ATOM 0 H ALA A 55 -4.298 -6.780 -4.661 1.00 43.01 H new ATOM 0 HA ALA A 55 -5.156 -4.656 -6.518 1.00 13.22 H new ATOM 0 HB1 ALA A 55 -7.417 -5.393 -5.899 1.00 21.31 H new ATOM 0 HB2 ALA A 55 -6.446 -6.731 -6.557 1.00 21.31 H new ATOM 0 HB3 ALA A 55 -6.719 -6.609 -4.803 1.00 21.31 H new ATOM 878 N LEU A 56 -5.390 -2.911 -4.805 1.00 1.43 N ATOM 879 CA LEU A 56 -5.482 -1.836 -3.832 1.00 32.51 C ATOM 880 C LEU A 56 -6.705 -0.977 -4.123 1.00 54.02 C ATOM 881 O LEU A 56 -7.318 -1.101 -5.178 1.00 52.54 O ATOM 882 CB LEU A 56 -4.237 -0.933 -3.885 1.00 31.03 C ATOM 883 CG LEU A 56 -2.892 -1.571 -3.508 1.00 63.14 C ATOM 884 CD1 LEU A 56 -2.404 -2.530 -4.584 1.00 44.02 C ATOM 885 CD2 LEU A 56 -1.854 -0.486 -3.269 1.00 14.10 C ATOM 0 H LEU A 56 -5.275 -2.594 -5.768 1.00 1.43 H new ATOM 0 HA LEU A 56 -5.558 -2.290 -2.844 1.00 32.51 H new ATOM 0 HB2 LEU A 56 -4.151 -0.535 -4.896 1.00 31.03 H new ATOM 0 HB3 LEU A 56 -4.406 -0.085 -3.222 1.00 31.03 H new ATOM 0 HG LEU A 56 -3.039 -2.145 -2.593 1.00 63.14 H new ATOM 0 HD11 LEU A 56 -1.450 -2.961 -4.281 1.00 44.02 H new ATOM 0 HD12 LEU A 56 -3.135 -3.327 -4.720 1.00 44.02 H new ATOM 0 HD13 LEU A 56 -2.277 -1.990 -5.522 1.00 44.02 H new ATOM 0 HD21 LEU A 56 -0.902 -0.945 -3.002 1.00 14.10 H new ATOM 0 HD22 LEU A 56 -1.730 0.105 -4.176 1.00 14.10 H new ATOM 0 HD23 LEU A 56 -2.185 0.161 -2.457 1.00 14.10 H new ATOM 897 N ARG A 57 -7.060 -0.123 -3.186 1.00 24.02 N ATOM 898 CA ARG A 57 -8.033 0.924 -3.434 1.00 62.00 C ATOM 899 C ARG A 57 -7.398 2.252 -3.052 1.00 35.43 C ATOM 900 O ARG A 57 -7.226 2.556 -1.869 1.00 0.40 O ATOM 901 CB ARG A 57 -9.324 0.694 -2.646 1.00 4.02 C ATOM 902 CG ARG A 57 -10.486 1.548 -3.126 1.00 72.54 C ATOM 903 CD ARG A 57 -11.678 1.450 -2.191 1.00 4.31 C ATOM 904 NE ARG A 57 -12.873 2.065 -2.767 1.00 61.41 N ATOM 905 CZ ARG A 57 -13.475 3.144 -2.274 1.00 43.13 C ATOM 906 NH1 ARG A 57 -12.975 3.766 -1.209 1.00 21.35 N ATOM 907 NH2 ARG A 57 -14.576 3.607 -2.856 1.00 5.34 N ATOM 0 H ARG A 57 -6.686 -0.133 -2.237 1.00 24.02 H new ATOM 0 HA ARG A 57 -8.308 0.923 -4.489 1.00 62.00 H new ATOM 0 HB2 ARG A 57 -9.602 -0.358 -2.718 1.00 4.02 H new ATOM 0 HB3 ARG A 57 -9.140 0.904 -1.592 1.00 4.02 H new ATOM 0 HG2 ARG A 57 -10.167 2.588 -3.201 1.00 72.54 H new ATOM 0 HG3 ARG A 57 -10.781 1.232 -4.127 1.00 72.54 H new ATOM 0 HD2 ARG A 57 -11.880 0.402 -1.968 1.00 4.31 H new ATOM 0 HD3 ARG A 57 -11.439 1.936 -1.245 1.00 4.31 H new ATOM 0 HE ARG A 57 -13.272 1.638 -3.603 1.00 61.41 H new ATOM 0 HH11 ARG A 57 -12.126 3.416 -0.766 1.00 21.35 H new ATOM 0 HH12 ARG A 57 -13.441 4.593 -0.836 1.00 21.35 H new ATOM 0 HH21 ARG A 57 -14.956 3.135 -3.677 1.00 5.34 H new ATOM 0 HH22 ARG A 57 -15.041 4.434 -2.482 1.00 5.34 H new ATOM 921 N LEU A 58 -7.032 3.021 -4.059 1.00 3.42 N ATOM 922 CA LEU A 58 -6.243 4.223 -3.862 1.00 0.24 C ATOM 923 C LEU A 58 -6.977 5.424 -4.431 1.00 25.53 C ATOM 924 O LEU A 58 -7.692 5.310 -5.431 1.00 15.31 O ATOM 925 CB LEU A 58 -4.865 4.033 -4.520 1.00 25.11 C ATOM 926 CG LEU A 58 -3.813 5.130 -4.297 1.00 4.25 C ATOM 927 CD1 LEU A 58 -4.016 6.302 -5.247 1.00 54.33 C ATOM 928 CD2 LEU A 58 -3.825 5.600 -2.852 1.00 73.12 C ATOM 0 H LEU A 58 -7.271 2.832 -5.032 1.00 3.42 H new ATOM 0 HA LEU A 58 -6.094 4.405 -2.798 1.00 0.24 H new ATOM 0 HB2 LEU A 58 -4.449 3.091 -4.163 1.00 25.11 H new ATOM 0 HB3 LEU A 58 -5.017 3.927 -5.594 1.00 25.11 H new ATOM 0 HG LEU A 58 -2.836 4.698 -4.512 1.00 4.25 H new ATOM 0 HD11 LEU A 58 -3.254 7.058 -5.060 1.00 54.33 H new ATOM 0 HD12 LEU A 58 -3.937 5.954 -6.277 1.00 54.33 H new ATOM 0 HD13 LEU A 58 -5.003 6.735 -5.085 1.00 54.33 H new ATOM 0 HD21 LEU A 58 -3.073 6.377 -2.716 1.00 73.12 H new ATOM 0 HD22 LEU A 58 -4.809 6.001 -2.608 1.00 73.12 H new ATOM 0 HD23 LEU A 58 -3.602 4.760 -2.194 1.00 73.12 H new ATOM 940 N ARG A 59 -6.805 6.561 -3.764 1.00 12.40 N ATOM 941 CA ARG A 59 -7.432 7.825 -4.151 1.00 54.01 C ATOM 942 C ARG A 59 -8.937 7.766 -3.885 1.00 2.01 C ATOM 943 O ARG A 59 -9.443 8.431 -2.981 1.00 23.24 O ATOM 944 CB ARG A 59 -7.137 8.138 -5.628 1.00 44.32 C ATOM 945 CG ARG A 59 -7.136 9.618 -5.994 1.00 0.11 C ATOM 946 CD ARG A 59 -8.533 10.214 -6.004 1.00 71.42 C ATOM 947 NE ARG A 59 -8.550 11.543 -6.612 1.00 31.42 N ATOM 948 CZ ARG A 59 -9.651 12.278 -6.766 1.00 71.12 C ATOM 949 NH1 ARG A 59 -10.809 11.862 -6.267 1.00 71.04 N ATOM 950 NH2 ARG A 59 -9.587 13.448 -7.387 1.00 50.44 N ATOM 0 H ARG A 59 -6.221 6.634 -2.931 1.00 12.40 H new ATOM 0 HA ARG A 59 -7.013 8.631 -3.549 1.00 54.01 H new ATOM 0 HB2 ARG A 59 -6.165 7.717 -5.884 1.00 44.32 H new ATOM 0 HB3 ARG A 59 -7.877 7.629 -6.245 1.00 44.32 H new ATOM 0 HG2 ARG A 59 -6.516 10.165 -5.283 1.00 0.11 H new ATOM 0 HG3 ARG A 59 -6.683 9.746 -6.977 1.00 0.11 H new ATOM 0 HD2 ARG A 59 -9.206 9.555 -6.552 1.00 71.42 H new ATOM 0 HD3 ARG A 59 -8.909 10.276 -4.983 1.00 71.42 H new ATOM 0 HE ARG A 59 -7.665 11.932 -6.938 1.00 31.42 H new ATOM 0 HH11 ARG A 59 -10.859 10.976 -5.763 1.00 71.04 H new ATOM 0 HH12 ARG A 59 -11.649 12.428 -6.387 1.00 71.04 H new ATOM 0 HH21 ARG A 59 -8.695 13.786 -7.747 1.00 50.44 H new ATOM 0 HH22 ARG A 59 -10.430 14.010 -7.504 1.00 50.44 H new ATOM 964 N GLY A 60 -9.640 6.959 -4.662 1.00 54.22 N ATOM 965 CA GLY A 60 -11.065 6.794 -4.467 1.00 63.22 C ATOM 966 C GLY A 60 -11.604 5.554 -5.149 1.00 5.33 C ATOM 967 O GLY A 60 -12.803 5.283 -5.098 1.00 42.23 O ATOM 0 H GLY A 60 -9.247 6.412 -5.428 1.00 54.22 H new ATOM 0 HA2 GLY A 60 -11.278 6.739 -3.399 1.00 63.22 H new ATOM 0 HA3 GLY A 60 -11.585 7.671 -4.852 1.00 63.22 H new ATOM 971 N TYR A 61 -10.718 4.789 -5.775 1.00 72.45 N ATOM 972 CA TYR A 61 -11.116 3.604 -6.524 1.00 72.30 C ATOM 973 C TYR A 61 -10.028 2.543 -6.474 1.00 54.45 C ATOM 974 O TYR A 61 -8.893 2.821 -6.091 1.00 2.20 O ATOM 975 CB TYR A 61 -11.444 3.964 -7.979 1.00 41.11 C ATOM 976 CG TYR A 61 -10.454 4.912 -8.625 1.00 21.51 C ATOM 977 CD1 TYR A 61 -9.255 4.449 -9.153 1.00 41.44 C ATOM 978 CD2 TYR A 61 -10.723 6.272 -8.706 1.00 24.23 C ATOM 979 CE1 TYR A 61 -8.355 5.315 -9.743 1.00 42.02 C ATOM 980 CE2 TYR A 61 -9.826 7.145 -9.294 1.00 51.41 C ATOM 981 CZ TYR A 61 -8.644 6.660 -9.810 1.00 74.41 C ATOM 982 OH TYR A 61 -7.747 7.526 -10.395 1.00 70.21 O ATOM 0 H TYR A 61 -9.714 4.970 -5.778 1.00 72.45 H new ATOM 0 HA TYR A 61 -12.014 3.198 -6.059 1.00 72.30 H new ATOM 0 HB2 TYR A 61 -11.488 3.047 -8.567 1.00 41.11 H new ATOM 0 HB3 TYR A 61 -12.436 4.414 -8.015 1.00 41.11 H new ATOM 0 HD1 TYR A 61 -9.023 3.395 -9.101 1.00 41.44 H new ATOM 0 HD2 TYR A 61 -11.649 6.655 -8.303 1.00 24.23 H new ATOM 0 HE1 TYR A 61 -7.428 4.939 -10.150 1.00 42.02 H new ATOM 0 HE2 TYR A 61 -10.050 8.200 -9.348 1.00 51.41 H new ATOM 0 HH TYR A 61 -8.104 8.438 -10.361 1.00 70.21 H new ATOM 992 N SER A 62 -10.382 1.328 -6.850 1.00 34.13 N ATOM 993 CA SER A 62 -9.447 0.219 -6.822 1.00 51.41 C ATOM 994 C SER A 62 -8.460 0.296 -7.981 1.00 54.41 C ATOM 995 O SER A 62 -8.794 0.733 -9.083 1.00 24.35 O ATOM 996 CB SER A 62 -10.194 -1.118 -6.847 1.00 74.31 C ATOM 997 OG SER A 62 -9.301 -2.215 -6.718 1.00 51.32 O ATOM 0 H SER A 62 -11.316 1.084 -7.180 1.00 34.13 H new ATOM 0 HA SER A 62 -8.881 0.287 -5.893 1.00 51.41 H new ATOM 0 HB2 SER A 62 -10.923 -1.144 -6.037 1.00 74.31 H new ATOM 0 HB3 SER A 62 -10.750 -1.208 -7.780 1.00 74.31 H new ATOM 0 HG SER A 62 -8.485 -1.921 -6.261 1.00 51.32 H new ATOM 1003 N LEU A 63 -7.244 -0.132 -7.699 1.00 55.12 N ATOM 1004 CA LEU A 63 -6.157 -0.159 -8.667 1.00 1.10 C ATOM 1005 C LEU A 63 -5.275 -1.361 -8.372 1.00 73.34 C ATOM 1006 O LEU A 63 -5.269 -1.859 -7.250 1.00 34.15 O ATOM 1007 CB LEU A 63 -5.320 1.124 -8.587 1.00 1.30 C ATOM 1008 CG LEU A 63 -6.017 2.404 -9.060 1.00 52.53 C ATOM 1009 CD1 LEU A 63 -5.166 3.622 -8.739 1.00 4.45 C ATOM 1010 CD2 LEU A 63 -6.303 2.335 -10.554 1.00 13.41 C ATOM 0 H LEU A 63 -6.977 -0.477 -6.777 1.00 55.12 H new ATOM 0 HA LEU A 63 -6.575 -0.230 -9.671 1.00 1.10 H new ATOM 0 HB2 LEU A 63 -5.004 1.265 -7.554 1.00 1.30 H new ATOM 0 HB3 LEU A 63 -4.417 0.984 -9.181 1.00 1.30 H new ATOM 0 HG LEU A 63 -6.966 2.495 -8.531 1.00 52.53 H new ATOM 0 HD11 LEU A 63 -5.676 4.523 -9.082 1.00 4.45 H new ATOM 0 HD12 LEU A 63 -5.008 3.682 -7.662 1.00 4.45 H new ATOM 0 HD13 LEU A 63 -4.203 3.536 -9.243 1.00 4.45 H new ATOM 0 HD21 LEU A 63 -6.798 3.252 -10.872 1.00 13.41 H new ATOM 0 HD22 LEU A 63 -5.366 2.220 -11.099 1.00 13.41 H new ATOM 0 HD23 LEU A 63 -6.950 1.483 -10.762 1.00 13.41 H new ATOM 1022 N SER A 64 -4.536 -1.837 -9.355 1.00 32.23 N ATOM 1023 CA SER A 64 -3.667 -2.976 -9.138 1.00 24.42 C ATOM 1024 C SER A 64 -2.220 -2.612 -9.430 1.00 64.14 C ATOM 1025 O SER A 64 -1.889 -2.117 -10.511 1.00 51.42 O ATOM 1026 CB SER A 64 -4.110 -4.162 -9.995 1.00 5.01 C ATOM 1027 OG SER A 64 -3.385 -5.337 -9.666 1.00 33.33 O ATOM 0 H SER A 64 -4.519 -1.458 -10.302 1.00 32.23 H new ATOM 0 HA SER A 64 -3.739 -3.266 -8.090 1.00 24.42 H new ATOM 0 HB2 SER A 64 -5.176 -4.338 -9.852 1.00 5.01 H new ATOM 0 HB3 SER A 64 -3.965 -3.926 -11.049 1.00 5.01 H new ATOM 0 HG SER A 64 -3.132 -5.311 -8.719 1.00 33.33 H new ATOM 1033 N LEU A 65 -1.369 -2.850 -8.449 1.00 24.33 N ATOM 1034 CA LEU A 65 0.055 -2.582 -8.577 1.00 71.25 C ATOM 1035 C LEU A 65 0.831 -3.870 -8.354 1.00 61.04 C ATOM 1036 O LEU A 65 0.242 -4.901 -8.028 1.00 2.04 O ATOM 1037 CB LEU A 65 0.519 -1.516 -7.574 1.00 74.44 C ATOM 1038 CG LEU A 65 -0.003 -0.092 -7.810 1.00 24.23 C ATOM 1039 CD1 LEU A 65 -1.438 0.057 -7.325 1.00 72.44 C ATOM 1040 CD2 LEU A 65 0.903 0.919 -7.126 1.00 43.54 C ATOM 0 H LEU A 65 -1.642 -3.233 -7.544 1.00 24.33 H new ATOM 0 HA LEU A 65 0.243 -2.201 -9.581 1.00 71.25 H new ATOM 0 HB2 LEU A 65 0.217 -1.831 -6.575 1.00 74.44 H new ATOM 0 HB3 LEU A 65 1.609 -1.488 -7.583 1.00 74.44 H new ATOM 0 HG LEU A 65 0.005 0.100 -8.883 1.00 24.23 H new ATOM 0 HD11 LEU A 65 -1.779 1.076 -7.506 1.00 72.44 H new ATOM 0 HD12 LEU A 65 -2.079 -0.641 -7.864 1.00 72.44 H new ATOM 0 HD13 LEU A 65 -1.485 -0.157 -6.257 1.00 72.44 H new ATOM 0 HD21 LEU A 65 0.522 1.925 -7.301 1.00 43.54 H new ATOM 0 HD22 LEU A 65 0.926 0.721 -6.054 1.00 43.54 H new ATOM 0 HD23 LEU A 65 1.911 0.837 -7.532 1.00 43.54 H new ATOM 1052 N ARG A 66 2.140 -3.818 -8.519 1.00 45.31 N ATOM 1053 CA ARG A 66 2.967 -4.995 -8.318 1.00 55.24 C ATOM 1054 C ARG A 66 3.442 -5.066 -6.876 1.00 72.44 C ATOM 1055 O ARG A 66 3.334 -4.095 -6.120 1.00 53.23 O ATOM 1056 CB ARG A 66 4.179 -4.974 -9.252 1.00 52.04 C ATOM 1057 CG ARG A 66 3.837 -5.067 -10.729 1.00 50.42 C ATOM 1058 CD ARG A 66 3.286 -6.434 -11.094 1.00 51.04 C ATOM 1059 NE ARG A 66 3.098 -6.581 -12.537 1.00 1.43 N ATOM 1060 CZ ARG A 66 2.605 -7.676 -13.119 1.00 1.04 C ATOM 1061 NH1 ARG A 66 2.301 -8.746 -12.394 1.00 22.00 N ATOM 1062 NH2 ARG A 66 2.438 -7.711 -14.434 1.00 73.42 N ATOM 0 H ARG A 66 2.652 -2.978 -8.790 1.00 45.31 H new ATOM 0 HA ARG A 66 2.362 -5.873 -8.544 1.00 55.24 H new ATOM 0 HB2 ARG A 66 4.739 -4.055 -9.079 1.00 52.04 H new ATOM 0 HB3 ARG A 66 4.837 -5.803 -8.991 1.00 52.04 H new ATOM 0 HG2 ARG A 66 3.105 -4.300 -10.982 1.00 50.42 H new ATOM 0 HG3 ARG A 66 4.729 -4.864 -11.322 1.00 50.42 H new ATOM 0 HD2 ARG A 66 3.967 -7.207 -10.736 1.00 51.04 H new ATOM 0 HD3 ARG A 66 2.334 -6.588 -10.587 1.00 51.04 H new ATOM 0 HE ARG A 66 3.360 -5.798 -13.136 1.00 1.43 H new ATOM 0 HH11 ARG A 66 2.444 -8.735 -11.384 1.00 22.00 H new ATOM 0 HH12 ARG A 66 1.925 -9.579 -12.847 1.00 22.00 H new ATOM 0 HH21 ARG A 66 2.686 -6.901 -15.001 1.00 73.42 H new ATOM 0 HH22 ARG A 66 2.061 -8.548 -14.878 1.00 73.42 H new ATOM 1076 N LYS A 67 3.976 -6.220 -6.506 1.00 61.23 N ATOM 1077 CA LYS A 67 4.579 -6.411 -5.196 1.00 11.31 C ATOM 1078 C LYS A 67 5.806 -5.510 -5.060 1.00 11.55 C ATOM 1079 O LYS A 67 6.230 -5.167 -3.955 1.00 73.12 O ATOM 1080 CB LYS A 67 4.975 -7.882 -5.027 1.00 72.13 C ATOM 1081 CG LYS A 67 5.505 -8.240 -3.648 1.00 35.12 C ATOM 1082 CD LYS A 67 5.980 -9.683 -3.611 1.00 23.02 C ATOM 1083 CE LYS A 67 6.420 -10.099 -2.221 1.00 52.22 C ATOM 1084 NZ LYS A 67 6.951 -11.486 -2.207 1.00 3.22 N ATOM 0 H LYS A 67 4.004 -7.047 -7.102 1.00 61.23 H new ATOM 0 HA LYS A 67 3.862 -6.146 -4.419 1.00 11.31 H new ATOM 0 HB2 LYS A 67 4.107 -8.505 -5.241 1.00 72.13 H new ATOM 0 HB3 LYS A 67 5.735 -8.128 -5.769 1.00 72.13 H new ATOM 0 HG2 LYS A 67 6.328 -7.575 -3.385 1.00 35.12 H new ATOM 0 HG3 LYS A 67 4.724 -8.090 -2.903 1.00 35.12 H new ATOM 0 HD2 LYS A 67 5.177 -10.338 -3.949 1.00 23.02 H new ATOM 0 HD3 LYS A 67 6.809 -9.810 -4.307 1.00 23.02 H new ATOM 0 HE2 LYS A 67 7.186 -9.412 -1.861 1.00 52.22 H new ATOM 0 HE3 LYS A 67 5.577 -10.025 -1.534 1.00 52.22 H new ATOM 0 HZ1 LYS A 67 7.242 -11.737 -1.241 1.00 3.22 H new ATOM 0 HZ2 LYS A 67 6.212 -12.144 -2.527 1.00 3.22 H new ATOM 0 HZ3 LYS A 67 7.771 -11.550 -2.843 1.00 3.22 H new ATOM 1098 N SER A 68 6.355 -5.125 -6.205 1.00 23.32 N ATOM 1099 CA SER A 68 7.516 -4.256 -6.266 1.00 65.54 C ATOM 1100 C SER A 68 7.197 -2.874 -5.689 1.00 1.12 C ATOM 1101 O SER A 68 7.904 -2.383 -4.807 1.00 4.24 O ATOM 1102 CB SER A 68 7.968 -4.137 -7.719 1.00 23.43 C ATOM 1103 OG SER A 68 8.002 -5.417 -8.336 1.00 44.22 O ATOM 0 H SER A 68 6.004 -5.410 -7.119 1.00 23.32 H new ATOM 0 HA SER A 68 8.318 -4.686 -5.666 1.00 65.54 H new ATOM 0 HB2 SER A 68 7.289 -3.482 -8.265 1.00 23.43 H new ATOM 0 HB3 SER A 68 8.956 -3.679 -7.762 1.00 23.43 H new ATOM 0 HG SER A 68 8.292 -5.324 -9.267 1.00 44.22 H new ATOM 1109 N GLU A 69 6.125 -2.260 -6.184 1.00 3.15 N ATOM 1110 CA GLU A 69 5.681 -0.961 -5.684 1.00 13.44 C ATOM 1111 C GLU A 69 5.345 -1.042 -4.200 1.00 32.01 C ATOM 1112 O GLU A 69 5.696 -0.159 -3.419 1.00 53.31 O ATOM 1113 CB GLU A 69 4.450 -0.461 -6.452 1.00 51.12 C ATOM 1114 CG GLU A 69 4.702 -0.182 -7.924 1.00 1.52 C ATOM 1115 CD GLU A 69 4.489 -1.399 -8.795 1.00 32.24 C ATOM 1116 OE1 GLU A 69 5.385 -2.258 -8.843 1.00 11.42 O ATOM 1117 OE2 GLU A 69 3.411 -1.501 -9.429 1.00 4.32 O ATOM 0 H GLU A 69 5.547 -2.642 -6.932 1.00 3.15 H new ATOM 0 HA GLU A 69 6.501 -0.258 -5.834 1.00 13.44 H new ATOM 0 HB2 GLU A 69 3.656 -1.203 -6.366 1.00 51.12 H new ATOM 0 HB3 GLU A 69 4.087 0.451 -5.978 1.00 51.12 H new ATOM 0 HG2 GLU A 69 4.040 0.617 -8.256 1.00 1.52 H new ATOM 0 HG3 GLU A 69 5.723 0.176 -8.052 1.00 1.52 H new ATOM 1124 N ALA A 70 4.677 -2.126 -3.822 1.00 73.42 N ATOM 1125 CA ALA A 70 4.254 -2.332 -2.443 1.00 11.03 C ATOM 1126 C ALA A 70 5.450 -2.478 -1.507 1.00 12.33 C ATOM 1127 O ALA A 70 5.340 -2.250 -0.306 1.00 53.22 O ATOM 1128 CB ALA A 70 3.351 -3.554 -2.352 1.00 2.23 C ATOM 0 H ALA A 70 4.416 -2.880 -4.457 1.00 73.42 H new ATOM 0 HA ALA A 70 3.695 -1.452 -2.125 1.00 11.03 H new ATOM 0 HB1 ALA A 70 3.040 -3.700 -1.318 1.00 2.23 H new ATOM 0 HB2 ALA A 70 2.471 -3.404 -2.978 1.00 2.23 H new ATOM 0 HB3 ALA A 70 3.894 -4.434 -2.695 1.00 2.23 H new ATOM 1134 N LYS A 71 6.590 -2.858 -2.063 1.00 64.42 N ATOM 1135 CA LYS A 71 7.801 -3.034 -1.275 1.00 42.00 C ATOM 1136 C LYS A 71 8.411 -1.685 -0.894 1.00 41.43 C ATOM 1137 O LYS A 71 8.969 -1.531 0.195 1.00 60.30 O ATOM 1138 CB LYS A 71 8.827 -3.855 -2.060 1.00 33.30 C ATOM 1139 CG LYS A 71 10.132 -4.076 -1.311 1.00 52.34 C ATOM 1140 CD LYS A 71 11.216 -4.619 -2.225 1.00 50.22 C ATOM 1141 CE LYS A 71 12.533 -4.767 -1.487 1.00 3.23 C ATOM 1142 NZ LYS A 71 13.644 -5.132 -2.402 1.00 11.43 N ATOM 0 H LYS A 71 6.702 -3.051 -3.058 1.00 64.42 H new ATOM 0 HA LYS A 71 7.532 -3.564 -0.361 1.00 42.00 H new ATOM 0 HB2 LYS A 71 8.392 -4.823 -2.308 1.00 33.30 H new ATOM 0 HB3 LYS A 71 9.040 -3.350 -3.002 1.00 33.30 H new ATOM 0 HG2 LYS A 71 10.464 -3.135 -0.871 1.00 52.34 H new ATOM 0 HG3 LYS A 71 9.967 -4.772 -0.488 1.00 52.34 H new ATOM 0 HD2 LYS A 71 10.909 -5.586 -2.623 1.00 50.22 H new ATOM 0 HD3 LYS A 71 11.346 -3.951 -3.076 1.00 50.22 H new ATOM 0 HE2 LYS A 71 12.772 -3.832 -0.981 1.00 3.23 H new ATOM 0 HE3 LYS A 71 12.433 -5.530 -0.715 1.00 3.23 H new ATOM 0 HZ1 LYS A 71 14.526 -5.223 -1.858 1.00 11.43 H new ATOM 0 HZ2 LYS A 71 13.428 -6.037 -2.866 1.00 11.43 H new ATOM 0 HZ3 LYS A 71 13.757 -4.391 -3.123 1.00 11.43 H new ATOM 1156 N ASP A 72 8.296 -0.714 -1.792 1.00 15.21 N ATOM 1157 CA ASP A 72 8.944 0.581 -1.610 1.00 62.44 C ATOM 1158 C ASP A 72 8.144 1.477 -0.670 1.00 52.34 C ATOM 1159 O ASP A 72 8.704 2.107 0.228 1.00 73.25 O ATOM 1160 CB ASP A 72 9.123 1.279 -2.959 1.00 55.23 C ATOM 1161 CG ASP A 72 10.018 2.498 -2.871 1.00 63.33 C ATOM 1162 OD1 ASP A 72 9.516 3.593 -2.547 1.00 41.14 O ATOM 1163 OD2 ASP A 72 11.235 2.358 -3.137 1.00 4.11 O ATOM 0 H ASP A 72 7.759 -0.798 -2.655 1.00 15.21 H new ATOM 0 HA ASP A 72 9.921 0.401 -1.162 1.00 62.44 H new ATOM 0 HB2 ASP A 72 9.545 0.574 -3.675 1.00 55.23 H new ATOM 0 HB3 ASP A 72 8.147 1.577 -3.342 1.00 55.23 H new ATOM 1168 N ILE A 73 6.833 1.511 -0.875 1.00 62.32 N ATOM 1169 CA ILE A 73 5.955 2.387 -0.104 1.00 73.22 C ATOM 1170 C ILE A 73 6.000 2.052 1.385 1.00 25.40 C ATOM 1171 O ILE A 73 5.647 0.942 1.792 1.00 33.03 O ATOM 1172 CB ILE A 73 4.492 2.283 -0.587 1.00 72.40 C ATOM 1173 CG1 ILE A 73 4.412 2.482 -2.101 1.00 44.12 C ATOM 1174 CG2 ILE A 73 3.627 3.313 0.123 1.00 43.31 C ATOM 1175 CD1 ILE A 73 3.025 2.268 -2.673 1.00 31.41 C ATOM 0 H ILE A 73 6.352 0.941 -1.571 1.00 62.32 H new ATOM 0 HA ILE A 73 6.318 3.403 -0.258 1.00 73.22 H new ATOM 0 HB ILE A 73 4.120 1.287 -0.347 1.00 72.40 H new ATOM 0 HG12 ILE A 73 4.743 3.492 -2.343 1.00 44.12 H new ATOM 0 HG13 ILE A 73 5.105 1.794 -2.586 1.00 44.12 H new ATOM 0 HG21 ILE A 73 2.598 3.228 -0.227 1.00 43.31 H new ATOM 0 HG22 ILE A 73 3.660 3.137 1.198 1.00 43.31 H new ATOM 0 HG23 ILE A 73 4.002 4.314 -0.092 1.00 43.31 H new ATOM 0 HD11 ILE A 73 3.048 2.427 -3.751 1.00 31.41 H new ATOM 0 HD12 ILE A 73 2.698 1.250 -2.463 1.00 31.41 H new ATOM 0 HD13 ILE A 73 2.331 2.974 -2.217 1.00 31.41 H new ATOM 1187 N LEU A 74 6.432 3.016 2.190 1.00 31.30 N ATOM 1188 CA LEU A 74 6.464 2.856 3.635 1.00 33.12 C ATOM 1189 C LEU A 74 5.156 3.351 4.240 1.00 71.10 C ATOM 1190 O LEU A 74 4.802 4.526 4.105 1.00 23.11 O ATOM 1191 CB LEU A 74 7.638 3.637 4.230 1.00 71.23 C ATOM 1192 CG LEU A 74 9.022 3.226 3.725 1.00 33.45 C ATOM 1193 CD1 LEU A 74 10.090 4.130 4.317 1.00 34.43 C ATOM 1194 CD2 LEU A 74 9.308 1.771 4.070 1.00 73.24 C ATOM 0 H LEU A 74 6.767 3.922 1.861 1.00 31.30 H new ATOM 0 HA LEU A 74 6.591 1.799 3.868 1.00 33.12 H new ATOM 0 HB2 LEU A 74 7.492 4.696 4.018 1.00 71.23 H new ATOM 0 HB3 LEU A 74 7.617 3.523 5.314 1.00 71.23 H new ATOM 0 HG LEU A 74 9.038 3.331 2.640 1.00 33.45 H new ATOM 0 HD11 LEU A 74 11.070 3.825 3.949 1.00 34.43 H new ATOM 0 HD12 LEU A 74 9.897 5.162 4.024 1.00 34.43 H new ATOM 0 HD13 LEU A 74 10.071 4.052 5.404 1.00 34.43 H new ATOM 0 HD21 LEU A 74 10.297 1.498 3.702 1.00 73.24 H new ATOM 0 HD22 LEU A 74 9.274 1.640 5.152 1.00 73.24 H new ATOM 0 HD23 LEU A 74 8.558 1.132 3.603 1.00 73.24 H new ATOM 1206 N VAL A 75 4.441 2.463 4.909 1.00 51.21 N ATOM 1207 CA VAL A 75 3.124 2.788 5.435 1.00 43.31 C ATOM 1208 C VAL A 75 2.995 2.429 6.911 1.00 70.32 C ATOM 1209 O VAL A 75 3.747 1.600 7.430 1.00 51.35 O ATOM 1210 CB VAL A 75 2.011 2.062 4.648 1.00 51.10 C ATOM 1211 CG1 VAL A 75 1.927 2.578 3.219 1.00 43.13 C ATOM 1212 CG2 VAL A 75 2.236 0.556 4.659 1.00 12.10 C ATOM 0 H VAL A 75 4.750 1.510 5.102 1.00 51.21 H new ATOM 0 HA VAL A 75 3.008 3.866 5.322 1.00 43.31 H new ATOM 0 HB VAL A 75 1.062 2.272 5.141 1.00 51.10 H new ATOM 0 HG11 VAL A 75 1.135 2.050 2.687 1.00 43.13 H new ATOM 0 HG12 VAL A 75 1.707 3.646 3.230 1.00 43.13 H new ATOM 0 HG13 VAL A 75 2.878 2.409 2.715 1.00 43.13 H new ATOM 0 HG21 VAL A 75 1.440 0.065 4.099 1.00 12.10 H new ATOM 0 HG22 VAL A 75 3.197 0.328 4.199 1.00 12.10 H new ATOM 0 HG23 VAL A 75 2.232 0.195 5.687 1.00 12.10 H new ATOM 1222 N GLU A 76 2.045 3.071 7.582 1.00 72.31 N ATOM 1223 CA GLU A 76 1.723 2.737 8.959 1.00 70.04 C ATOM 1224 C GLU A 76 0.305 2.188 9.034 1.00 50.43 C ATOM 1225 O GLU A 76 -0.542 2.525 8.202 1.00 12.52 O ATOM 1226 CB GLU A 76 1.903 3.951 9.886 1.00 1.43 C ATOM 1227 CG GLU A 76 1.102 5.190 9.503 1.00 20.44 C ATOM 1228 CD GLU A 76 1.444 6.388 10.377 1.00 31.34 C ATOM 1229 OE1 GLU A 76 2.104 6.201 11.422 1.00 34.32 O ATOM 1230 OE2 GLU A 76 1.061 7.526 10.025 1.00 3.10 O ATOM 0 H GLU A 76 1.484 3.828 7.190 1.00 72.31 H new ATOM 0 HA GLU A 76 2.415 1.969 9.304 1.00 70.04 H new ATOM 0 HB2 GLU A 76 1.625 3.658 10.898 1.00 1.43 H new ATOM 0 HB3 GLU A 76 2.960 4.215 9.909 1.00 1.43 H new ATOM 0 HG2 GLU A 76 1.295 5.437 8.459 1.00 20.44 H new ATOM 0 HG3 GLU A 76 0.037 4.973 9.588 1.00 20.44 H new ATOM 1237 N VAL A 77 0.055 1.334 10.017 1.00 1.43 N ATOM 1238 CA VAL A 77 -1.223 0.647 10.129 1.00 62.22 C ATOM 1239 C VAL A 77 -2.280 1.551 10.760 1.00 53.14 C ATOM 1240 O VAL A 77 -2.168 1.942 11.924 1.00 34.20 O ATOM 1241 CB VAL A 77 -1.083 -0.648 10.955 1.00 21.42 C ATOM 1242 CG1 VAL A 77 -2.405 -1.393 11.034 1.00 51.42 C ATOM 1243 CG2 VAL A 77 -0.001 -1.541 10.366 1.00 52.52 C ATOM 0 H VAL A 77 0.724 1.100 10.751 1.00 1.43 H new ATOM 0 HA VAL A 77 -1.543 0.387 9.120 1.00 62.22 H new ATOM 0 HB VAL A 77 -0.792 -0.371 11.968 1.00 21.42 H new ATOM 0 HG11 VAL A 77 -2.276 -2.302 11.622 1.00 51.42 H new ATOM 0 HG12 VAL A 77 -3.153 -0.757 11.508 1.00 51.42 H new ATOM 0 HG13 VAL A 77 -2.735 -1.655 10.029 1.00 51.42 H new ATOM 0 HG21 VAL A 77 0.084 -2.450 10.961 1.00 52.52 H new ATOM 0 HG22 VAL A 77 -0.263 -1.802 9.341 1.00 52.52 H new ATOM 0 HG23 VAL A 77 0.952 -1.012 10.374 1.00 52.52 H new ATOM 1253 N LEU A 78 -3.311 1.869 9.983 1.00 51.30 N ATOM 1254 CA LEU A 78 -4.375 2.755 10.443 1.00 65.33 C ATOM 1255 C LEU A 78 -5.495 1.979 11.116 1.00 2.44 C ATOM 1256 O LEU A 78 -6.479 2.564 11.573 1.00 71.52 O ATOM 1257 CB LEU A 78 -4.948 3.561 9.280 1.00 14.33 C ATOM 1258 CG LEU A 78 -4.035 4.650 8.720 1.00 21.30 C ATOM 1259 CD1 LEU A 78 -4.760 5.439 7.640 1.00 12.04 C ATOM 1260 CD2 LEU A 78 -3.568 5.576 9.830 1.00 14.14 C ATOM 0 H LEU A 78 -3.432 1.526 9.030 1.00 51.30 H new ATOM 0 HA LEU A 78 -3.934 3.434 11.173 1.00 65.33 H new ATOM 0 HB2 LEU A 78 -5.200 2.873 8.473 1.00 14.33 H new ATOM 0 HB3 LEU A 78 -5.879 4.024 9.606 1.00 14.33 H new ATOM 0 HG LEU A 78 -3.159 4.176 8.277 1.00 21.30 H new ATOM 0 HD11 LEU A 78 -4.099 6.212 7.249 1.00 12.04 H new ATOM 0 HD12 LEU A 78 -5.051 4.767 6.832 1.00 12.04 H new ATOM 0 HD13 LEU A 78 -5.650 5.903 8.064 1.00 12.04 H new ATOM 0 HD21 LEU A 78 -2.919 6.346 9.413 1.00 14.14 H new ATOM 0 HD22 LEU A 78 -4.432 6.046 10.300 1.00 14.14 H new ATOM 0 HD23 LEU A 78 -3.018 5.002 10.575 1.00 14.14 H new