USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 814 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 93 ASN : amide:sc= 0 K(o=0.11,f=-1.2) USER MOD Set 1.2: A 95 THR OG1 : rot 180:sc= 0.11 USER MOD Set 2.1: A 58 MET CE :methyl 142:sc= -2.8 (180deg=-5.36!) USER MOD Set 2.2: A 97 MET CE :methyl 180:sc= -0.36 (180deg=0) USER MOD Set 3.1: A 19 ASN : amide:sc= -0.315 X(o=-0.31,f=0) USER MOD Set 3.2: A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.464 X(o=-0.46,f=-0.42) USER MOD Single : A 4 SER OG : rot 26:sc= 0.137 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= -0.0139 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= -0.308 USER MOD Single : A 32 THR OG1 : rot 79:sc= 0.12 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -3.23! C(o=-3.2!,f=-4.1!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= -0.3 USER MOD Single : A 44 THR OG1 : rot -58:sc= 0.172 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 1.14 K(o=1.1,f=-0.26) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -164:sc= -0.579 (180deg=-1.15!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -126:sc=-0.00274 (180deg=-0.257) USER MOD Single : A 71 LYS NZ :NH3+ -169:sc= -0.101 (180deg=-0.254) USER MOD Single : A 73 LYS NZ :NH3+ 160:sc= -1.09 (180deg=-2.29!) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 ASN : amide:sc= -0.0401 X(o=-0.04,f=-0.38) USER MOD Single : A 83 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.038) USER MOD Single : A 87 HIS : no HD1:sc= -0.789 X(o=-0.79,f=-0.77) USER MOD Single : A 88 MET CE :methyl -128:sc= -0.524 (180deg=-1.02) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 ASN : amide:sc= -0.036 X(o=-0.036,f=0) USER MOD Single : A 101 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.27) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 58:sc= 1.3 USER MOD Single : A 105 GLN : amide:sc= -2.15 X(o=-2.2,f=-1.8) USER MOD Single : A 106 GLN : amide:sc= -1.15 K(o=-1.2,f=-0.63) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 30:sc= -1.55 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 28 N HIS A 3 -8.267 10.723 7.551 1.00 0.00 N ATOM 29 CA HIS A 3 -7.382 9.571 7.689 1.00 0.00 C ATOM 30 C HIS A 3 -8.180 8.271 7.706 1.00 0.00 C ATOM 31 O HIS A 3 -7.880 7.357 8.473 1.00 0.00 O ATOM 32 CB HIS A 3 -6.546 9.693 8.966 1.00 0.00 C ATOM 33 CG HIS A 3 -7.348 9.582 10.226 1.00 0.00 C ATOM 34 ND1 HIS A 3 -8.259 10.537 10.628 1.00 0.00 N ATOM 35 CD2 HIS A 3 -7.370 8.620 11.179 1.00 0.00 C ATOM 36 CE1 HIS A 3 -8.806 10.167 11.772 1.00 0.00 C ATOM 37 NE2 HIS A 3 -8.285 9.008 12.127 1.00 0.00 N ATOM 0 HA HIS A 3 -6.713 9.552 6.829 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -5.781 8.917 8.964 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -6.027 10.652 8.960 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -6.779 7.716 11.191 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -9.553 10.719 12.323 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -8.523 8.485 12.969 1.00 0.00 H new ATOM 46 N SER A 4 -9.200 8.195 6.855 1.00 0.00 N ATOM 47 CA SER A 4 -10.040 7.006 6.774 1.00 0.00 C ATOM 48 C SER A 4 -11.139 7.180 5.729 1.00 0.00 C ATOM 49 O SER A 4 -11.900 8.148 5.772 1.00 0.00 O ATOM 50 CB SER A 4 -10.665 6.703 8.137 1.00 0.00 C ATOM 51 OG SER A 4 -11.350 7.834 8.647 1.00 0.00 O ATOM 0 H SER A 4 -9.464 8.942 6.213 1.00 0.00 H new ATOM 0 HA SER A 4 -9.408 6.170 6.474 1.00 0.00 H new ATOM 0 HB2 SER A 4 -11.357 5.866 8.045 1.00 0.00 H new ATOM 0 HB3 SER A 4 -9.887 6.399 8.838 1.00 0.00 H new ATOM 0 HG SER A 4 -11.639 8.404 7.904 1.00 0.00 H new ATOM 57 N GLY A 5 -11.226 6.235 4.797 1.00 0.00 N ATOM 58 CA GLY A 5 -12.242 6.302 3.767 1.00 0.00 C ATOM 59 C GLY A 5 -12.825 4.939 3.463 1.00 0.00 C ATOM 60 O GLY A 5 -12.784 4.040 4.302 1.00 0.00 O ATOM 0 H GLY A 5 -10.610 5.424 4.739 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -13.038 6.975 4.085 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -11.812 6.724 2.859 1.00 0.00 H new ATOM 64 N ALA A 6 -13.361 4.776 2.261 1.00 0.00 N ATOM 65 CA ALA A 6 -13.942 3.505 1.857 1.00 0.00 C ATOM 66 C ALA A 6 -13.075 2.833 0.800 1.00 0.00 C ATOM 67 O ALA A 6 -13.015 3.282 -0.345 1.00 0.00 O ATOM 68 CB ALA A 6 -15.359 3.708 1.347 1.00 0.00 C ATOM 0 H ALA A 6 -13.405 5.507 1.551 1.00 0.00 H new ATOM 0 HA ALA A 6 -13.984 2.850 2.727 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -15.779 2.748 1.049 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -15.971 4.143 2.137 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -15.344 4.380 0.489 1.00 0.00 H new ATOM 74 N ALA A 7 -12.394 1.763 1.195 1.00 0.00 N ATOM 75 CA ALA A 7 -11.516 1.038 0.281 1.00 0.00 C ATOM 76 C ALA A 7 -12.003 -0.390 0.057 1.00 0.00 C ATOM 77 O ALA A 7 -12.662 -0.976 0.915 1.00 0.00 O ATOM 78 CB ALA A 7 -10.087 1.033 0.811 1.00 0.00 C ATOM 0 H ALA A 7 -12.432 1.378 2.139 1.00 0.00 H new ATOM 0 HA ALA A 7 -11.536 1.553 -0.680 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.444 0.489 0.119 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.731 2.059 0.907 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.063 0.548 1.787 1.00 0.00 H new ATOM 84 N ILE A 8 -11.667 -0.945 -1.106 1.00 0.00 N ATOM 85 CA ILE A 8 -12.063 -2.307 -1.450 1.00 0.00 C ATOM 86 C ILE A 8 -10.917 -3.284 -1.204 1.00 0.00 C ATOM 87 O ILE A 8 -9.750 -2.943 -1.395 1.00 0.00 O ATOM 88 CB ILE A 8 -12.502 -2.419 -2.925 1.00 0.00 C ATOM 89 CG1 ILE A 8 -13.293 -1.179 -3.368 1.00 0.00 C ATOM 90 CG2 ILE A 8 -13.325 -3.680 -3.140 1.00 0.00 C ATOM 91 CD1 ILE A 8 -14.339 -0.712 -2.378 1.00 0.00 C ATOM 0 H ILE A 8 -11.121 -0.471 -1.826 1.00 0.00 H new ATOM 0 HA ILE A 8 -12.908 -2.559 -0.810 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.603 -2.478 -3.538 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -12.593 -0.363 -3.549 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -13.782 -1.396 -4.318 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -13.627 -3.744 -4.185 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -12.727 -4.554 -2.881 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -14.212 -3.648 -2.508 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -14.847 0.167 -2.773 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -15.065 -1.508 -2.214 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.858 -0.459 -1.433 1.00 0.00 H new ATOM 103 N PHE A 9 -11.254 -4.498 -0.781 1.00 0.00 N ATOM 104 CA PHE A 9 -10.245 -5.516 -0.513 1.00 0.00 C ATOM 105 C PHE A 9 -10.698 -6.882 -1.016 1.00 0.00 C ATOM 106 O PHE A 9 -11.635 -7.470 -0.482 1.00 0.00 O ATOM 107 CB PHE A 9 -9.948 -5.585 0.987 1.00 0.00 C ATOM 108 CG PHE A 9 -8.615 -6.200 1.307 1.00 0.00 C ATOM 109 CD1 PHE A 9 -7.470 -5.791 0.641 1.00 0.00 C ATOM 110 CD2 PHE A 9 -8.507 -7.187 2.274 1.00 0.00 C ATOM 111 CE1 PHE A 9 -6.243 -6.355 0.934 1.00 0.00 C ATOM 112 CE2 PHE A 9 -7.282 -7.754 2.571 1.00 0.00 C ATOM 113 CZ PHE A 9 -6.149 -7.337 1.899 1.00 0.00 C ATOM 0 H PHE A 9 -12.214 -4.800 -0.617 1.00 0.00 H new ATOM 0 HA PHE A 9 -9.336 -5.238 -1.046 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -9.984 -4.578 1.403 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -10.732 -6.161 1.478 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.538 -5.023 -0.115 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -9.390 -7.517 2.801 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.358 -6.028 0.408 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -7.210 -8.522 3.327 1.00 0.00 H new ATOM 0 HZ PHE A 9 -5.191 -7.779 2.129 1.00 0.00 H new ATOM 123 N GLU A 10 -10.022 -7.383 -2.044 1.00 0.00 N ATOM 124 CA GLU A 10 -10.351 -8.684 -2.620 1.00 0.00 C ATOM 125 C GLU A 10 -11.689 -8.638 -3.356 1.00 0.00 C ATOM 126 O GLU A 10 -12.435 -9.617 -3.365 1.00 0.00 O ATOM 127 CB GLU A 10 -10.381 -9.763 -1.531 1.00 0.00 C ATOM 128 CG GLU A 10 -9.217 -10.737 -1.614 1.00 0.00 C ATOM 129 CD GLU A 10 -8.997 -11.494 -0.319 1.00 0.00 C ATOM 130 OE1 GLU A 10 -8.569 -10.864 0.672 1.00 0.00 O ATOM 131 OE2 GLU A 10 -9.253 -12.716 -0.294 1.00 0.00 O ATOM 0 H GLU A 10 -9.241 -6.908 -2.497 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.574 -8.936 -3.342 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.373 -9.282 -0.553 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -11.316 -10.318 -1.606 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.400 -11.448 -2.420 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.309 -10.191 -1.870 1.00 0.00 H new ATOM 138 N LYS A 11 -11.979 -7.494 -3.978 1.00 0.00 N ATOM 139 CA LYS A 11 -13.220 -7.303 -4.736 1.00 0.00 C ATOM 140 C LYS A 11 -14.386 -6.905 -3.832 1.00 0.00 C ATOM 141 O LYS A 11 -15.463 -6.564 -4.323 1.00 0.00 O ATOM 142 CB LYS A 11 -13.584 -8.563 -5.527 1.00 0.00 C ATOM 143 CG LYS A 11 -12.396 -9.219 -6.216 1.00 0.00 C ATOM 144 CD LYS A 11 -12.362 -10.719 -5.970 1.00 0.00 C ATOM 145 CE LYS A 11 -10.944 -11.215 -5.739 1.00 0.00 C ATOM 146 NZ LYS A 11 -10.922 -12.601 -5.195 1.00 0.00 N ATOM 0 H LYS A 11 -11.366 -6.678 -3.972 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.038 -6.486 -5.434 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.045 -9.284 -4.852 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -14.332 -8.306 -6.278 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -12.445 -9.027 -7.288 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.471 -8.770 -5.854 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -12.978 -10.961 -5.104 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -12.795 -11.239 -6.825 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.391 -11.185 -6.678 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.433 -10.545 -5.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.937 -12.902 -5.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -11.427 -12.625 -4.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.386 -13.245 -5.867 1.00 0.00 H new ATOM 160 N VAL A 12 -14.179 -6.939 -2.518 1.00 0.00 N ATOM 161 CA VAL A 12 -15.229 -6.569 -1.582 1.00 0.00 C ATOM 162 C VAL A 12 -14.981 -5.179 -1.021 1.00 0.00 C ATOM 163 O VAL A 12 -13.891 -4.876 -0.537 1.00 0.00 O ATOM 164 CB VAL A 12 -15.353 -7.586 -0.427 1.00 0.00 C ATOM 165 CG1 VAL A 12 -14.124 -7.580 0.469 1.00 0.00 C ATOM 166 CG2 VAL A 12 -16.615 -7.323 0.384 1.00 0.00 C ATOM 0 H VAL A 12 -13.299 -7.217 -2.083 1.00 0.00 H new ATOM 0 HA VAL A 12 -16.168 -6.571 -2.135 1.00 0.00 H new ATOM 0 HB VAL A 12 -15.424 -8.579 -0.871 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -14.253 -8.310 1.268 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -13.244 -7.838 -0.119 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -13.994 -6.588 0.901 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -16.685 -8.050 1.193 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -16.576 -6.317 0.802 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -17.488 -7.414 -0.262 1.00 0.00 H new ATOM 176 N SER A 13 -15.990 -4.327 -1.100 1.00 0.00 N ATOM 177 CA SER A 13 -15.859 -2.971 -0.604 1.00 0.00 C ATOM 178 C SER A 13 -15.818 -2.958 0.916 1.00 0.00 C ATOM 179 O SER A 13 -16.276 -3.897 1.568 1.00 0.00 O ATOM 180 CB SER A 13 -17.013 -2.100 -1.097 1.00 0.00 C ATOM 181 OG SER A 13 -17.364 -2.421 -2.432 1.00 0.00 O ATOM 0 H SER A 13 -16.901 -4.550 -1.500 1.00 0.00 H new ATOM 0 HA SER A 13 -14.923 -2.564 -0.987 1.00 0.00 H new ATOM 0 HB2 SER A 13 -17.878 -2.237 -0.448 1.00 0.00 H new ATOM 0 HB3 SER A 13 -16.731 -1.049 -1.035 1.00 0.00 H new ATOM 0 HG SER A 13 -18.106 -1.850 -2.721 1.00 0.00 H new ATOM 187 N GLY A 14 -15.270 -1.890 1.475 1.00 0.00 N ATOM 188 CA GLY A 14 -15.182 -1.775 2.915 1.00 0.00 C ATOM 189 C GLY A 14 -14.834 -0.374 3.358 1.00 0.00 C ATOM 190 O GLY A 14 -15.156 0.600 2.677 1.00 0.00 O ATOM 0 H GLY A 14 -14.885 -1.101 0.957 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -16.133 -2.068 3.359 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -14.429 -2.469 3.287 1.00 0.00 H new ATOM 194 N ILE A 15 -14.172 -0.269 4.501 1.00 0.00 N ATOM 195 CA ILE A 15 -13.777 1.025 5.033 1.00 0.00 C ATOM 196 C ILE A 15 -12.322 1.012 5.460 1.00 0.00 C ATOM 197 O ILE A 15 -11.927 0.239 6.328 1.00 0.00 O ATOM 198 CB ILE A 15 -14.637 1.429 6.245 1.00 0.00 C ATOM 199 CG1 ILE A 15 -16.104 1.056 6.007 1.00 0.00 C ATOM 200 CG2 ILE A 15 -14.486 2.919 6.528 1.00 0.00 C ATOM 201 CD1 ILE A 15 -16.814 1.939 5.005 1.00 0.00 C ATOM 0 H ILE A 15 -13.898 -1.065 5.077 1.00 0.00 H new ATOM 0 HA ILE A 15 -13.924 1.750 4.233 1.00 0.00 H new ATOM 0 HB ILE A 15 -14.290 0.882 7.122 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -16.153 0.023 5.663 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -16.637 1.101 6.957 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -15.100 3.190 7.387 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -13.441 3.145 6.742 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -14.809 3.489 5.657 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -17.846 1.607 4.895 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -16.800 2.971 5.355 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -16.308 1.876 4.042 1.00 0.00 H new ATOM 213 N ILE A 16 -11.533 1.885 4.862 1.00 0.00 N ATOM 214 CA ILE A 16 -10.127 1.980 5.200 1.00 0.00 C ATOM 215 C ILE A 16 -9.920 3.113 6.187 1.00 0.00 C ATOM 216 O ILE A 16 -10.281 4.255 5.920 1.00 0.00 O ATOM 217 CB ILE A 16 -9.263 2.176 3.931 1.00 0.00 C ATOM 218 CG1 ILE A 16 -8.623 0.844 3.537 1.00 0.00 C ATOM 219 CG2 ILE A 16 -8.190 3.236 4.118 1.00 0.00 C ATOM 220 CD1 ILE A 16 -7.596 0.956 2.430 1.00 0.00 C ATOM 0 H ILE A 16 -11.842 2.537 4.141 1.00 0.00 H new ATOM 0 HA ILE A 16 -9.809 1.047 5.665 1.00 0.00 H new ATOM 0 HB ILE A 16 -9.921 2.525 3.135 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -8.148 0.407 4.416 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -9.407 0.155 3.222 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -7.612 3.335 3.199 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -8.659 4.191 4.356 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -7.528 2.944 4.933 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -7.190 -0.031 2.210 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -8.068 1.362 1.535 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -6.790 1.618 2.747 1.00 0.00 H new ATOM 232 N ALA A 17 -9.362 2.787 7.338 1.00 0.00 N ATOM 233 CA ALA A 17 -9.139 3.787 8.369 1.00 0.00 C ATOM 234 C ALA A 17 -7.789 3.601 9.051 1.00 0.00 C ATOM 235 O ALA A 17 -7.440 2.500 9.478 1.00 0.00 O ATOM 236 CB ALA A 17 -10.275 3.743 9.380 1.00 0.00 C ATOM 0 H ALA A 17 -9.056 1.845 7.583 1.00 0.00 H new ATOM 0 HA ALA A 17 -9.122 4.770 7.897 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -10.105 4.494 10.152 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -11.219 3.949 8.876 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -10.316 2.755 9.838 1.00 0.00 H new ATOM 242 N ILE A 18 -7.033 4.691 9.139 1.00 0.00 N ATOM 243 CA ILE A 18 -5.713 4.668 9.757 1.00 0.00 C ATOM 244 C ILE A 18 -5.811 4.726 11.280 1.00 0.00 C ATOM 245 O ILE A 18 -6.471 5.602 11.840 1.00 0.00 O ATOM 246 CB ILE A 18 -4.849 5.846 9.257 1.00 0.00 C ATOM 247 CG1 ILE A 18 -4.686 5.776 7.737 1.00 0.00 C ATOM 248 CG2 ILE A 18 -3.488 5.848 9.939 1.00 0.00 C ATOM 249 CD1 ILE A 18 -5.712 6.590 6.979 1.00 0.00 C ATOM 0 H ILE A 18 -7.315 5.606 8.788 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.241 3.728 9.470 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.357 6.776 9.512 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.689 6.125 7.471 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.754 4.735 7.420 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.898 6.687 9.570 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.621 5.944 11.017 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.969 4.915 9.719 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.535 6.493 5.908 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.712 6.226 7.216 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.630 7.638 7.267 1.00 0.00 H new ATOM 261 N ASN A 19 -5.142 3.788 11.944 1.00 0.00 N ATOM 262 CA ASN A 19 -5.140 3.730 13.401 1.00 0.00 C ATOM 263 C ASN A 19 -3.943 4.485 13.968 1.00 0.00 C ATOM 264 O ASN A 19 -2.858 3.924 14.122 1.00 0.00 O ATOM 265 CB ASN A 19 -5.115 2.276 13.875 1.00 0.00 C ATOM 266 CG ASN A 19 -6.014 2.042 15.073 1.00 0.00 C ATOM 267 OD1 ASN A 19 -7.117 1.513 14.943 1.00 0.00 O ATOM 268 ND2 ASN A 19 -5.545 2.440 16.251 1.00 0.00 N ATOM 0 H ASN A 19 -4.593 3.056 11.494 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.052 4.204 13.763 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.427 1.625 13.058 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.093 1.998 14.132 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -6.106 2.311 17.093 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -4.624 2.874 16.313 1.00 0.00 H new ATOM 275 N GLU A 20 -4.150 5.761 14.281 1.00 0.00 N ATOM 276 CA GLU A 20 -3.088 6.593 14.834 1.00 0.00 C ATOM 277 C GLU A 20 -3.175 6.644 16.355 1.00 0.00 C ATOM 278 O GLU A 20 -2.716 7.600 16.981 1.00 0.00 O ATOM 279 CB GLU A 20 -3.166 8.007 14.257 1.00 0.00 C ATOM 280 CG GLU A 20 -2.772 8.090 12.792 1.00 0.00 C ATOM 281 CD GLU A 20 -1.942 9.319 12.480 1.00 0.00 C ATOM 282 OE1 GLU A 20 -2.471 10.443 12.616 1.00 0.00 O ATOM 283 OE2 GLU A 20 -0.763 9.159 12.099 1.00 0.00 O ATOM 0 H GLU A 20 -5.042 6.240 14.161 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.131 6.150 14.558 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -4.183 8.382 14.373 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.517 8.663 14.837 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.209 7.197 12.520 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.672 8.099 12.177 1.00 0.00 H new ATOM 290 N ASP A 21 -3.760 5.607 16.945 1.00 0.00 N ATOM 291 CA ASP A 21 -3.902 5.530 18.393 1.00 0.00 C ATOM 292 C ASP A 21 -2.902 4.540 18.987 1.00 0.00 C ATOM 293 O ASP A 21 -2.777 4.432 20.206 1.00 0.00 O ATOM 294 CB ASP A 21 -5.327 5.119 18.766 1.00 0.00 C ATOM 295 CG ASP A 21 -6.325 6.241 18.558 1.00 0.00 C ATOM 296 OD1 ASP A 21 -6.388 6.780 17.433 1.00 0.00 O ATOM 297 OD2 ASP A 21 -7.044 6.583 19.521 1.00 0.00 O ATOM 0 H ASP A 21 -4.144 4.807 16.441 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.697 6.518 18.806 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.623 4.258 18.167 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.350 4.804 19.809 1.00 0.00 H new ATOM 302 N VAL A 22 -2.192 3.819 18.121 1.00 0.00 N ATOM 303 CA VAL A 22 -1.207 2.843 18.573 1.00 0.00 C ATOM 304 C VAL A 22 0.211 3.369 18.374 1.00 0.00 C ATOM 305 O VAL A 22 0.403 4.503 17.935 1.00 0.00 O ATOM 306 CB VAL A 22 -1.358 1.505 17.822 1.00 0.00 C ATOM 307 CG1 VAL A 22 -2.767 0.957 17.987 1.00 0.00 C ATOM 308 CG2 VAL A 22 -1.013 1.672 16.349 1.00 0.00 C ATOM 0 H VAL A 22 -2.281 3.893 17.108 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.386 2.676 19.635 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.659 0.789 18.254 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.855 0.012 17.450 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.972 0.794 19.045 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.485 1.672 17.584 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.126 0.716 15.838 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.683 2.405 15.899 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.017 2.015 16.253 1.00 0.00 H new ATOM 318 N SER A 23 1.203 2.539 18.683 1.00 0.00 N ATOM 319 CA SER A 23 2.594 2.940 18.514 1.00 0.00 C ATOM 320 C SER A 23 2.886 3.155 17.032 1.00 0.00 C ATOM 321 O SER A 23 3.101 4.286 16.598 1.00 0.00 O ATOM 322 CB SER A 23 3.542 1.901 19.117 1.00 0.00 C ATOM 323 OG SER A 23 4.104 2.366 20.330 1.00 0.00 O ATOM 0 H SER A 23 1.071 1.595 19.048 1.00 0.00 H new ATOM 0 HA SER A 23 2.759 3.877 19.046 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.001 0.972 19.296 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.338 1.675 18.407 1.00 0.00 H new ATOM 0 HG SER A 23 4.704 1.683 20.695 1.00 0.00 H new ATOM 329 N PRO A 24 2.868 2.079 16.219 1.00 0.00 N ATOM 330 CA PRO A 24 3.098 2.180 14.789 1.00 0.00 C ATOM 331 C PRO A 24 1.791 2.400 14.042 1.00 0.00 C ATOM 332 O PRO A 24 0.953 1.501 13.966 1.00 0.00 O ATOM 333 CB PRO A 24 3.672 0.817 14.454 1.00 0.00 C ATOM 334 CG PRO A 24 2.951 -0.117 15.370 1.00 0.00 C ATOM 335 CD PRO A 24 2.593 0.680 16.609 1.00 0.00 C ATOM 0 HA PRO A 24 3.744 3.013 14.513 1.00 0.00 H new ATOM 0 HB2 PRO A 24 3.503 0.559 13.408 1.00 0.00 H new ATOM 0 HB3 PRO A 24 4.749 0.786 14.620 1.00 0.00 H new ATOM 0 HG2 PRO A 24 2.055 -0.513 14.892 1.00 0.00 H new ATOM 0 HG3 PRO A 24 3.579 -0.970 15.626 1.00 0.00 H new ATOM 0 HD2 PRO A 24 1.548 0.540 16.887 1.00 0.00 H new ATOM 0 HD3 PRO A 24 3.194 0.378 17.467 1.00 0.00 H new ATOM 343 N ALA A 25 1.611 3.597 13.507 1.00 0.00 N ATOM 344 CA ALA A 25 0.389 3.927 12.782 1.00 0.00 C ATOM 345 C ALA A 25 0.046 2.846 11.762 1.00 0.00 C ATOM 346 O ALA A 25 0.803 2.596 10.825 1.00 0.00 O ATOM 347 CB ALA A 25 0.520 5.285 12.110 1.00 0.00 C ATOM 0 H ALA A 25 2.291 4.355 13.559 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.429 3.976 13.500 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.400 5.516 11.574 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.701 6.049 12.866 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.354 5.265 11.408 1.00 0.00 H new ATOM 353 N GLU A 26 -1.098 2.200 11.962 1.00 0.00 N ATOM 354 CA GLU A 26 -1.547 1.136 11.074 1.00 0.00 C ATOM 355 C GLU A 26 -2.770 1.574 10.269 1.00 0.00 C ATOM 356 O GLU A 26 -3.349 2.629 10.521 1.00 0.00 O ATOM 357 CB GLU A 26 -1.886 -0.116 11.884 1.00 0.00 C ATOM 358 CG GLU A 26 -2.920 0.125 12.973 1.00 0.00 C ATOM 359 CD GLU A 26 -3.278 -1.142 13.726 1.00 0.00 C ATOM 360 OE1 GLU A 26 -2.419 -2.044 13.812 1.00 0.00 O ATOM 361 OE2 GLU A 26 -4.417 -1.231 14.229 1.00 0.00 O ATOM 0 H GLU A 26 -1.733 2.397 12.735 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.738 0.911 10.379 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.256 -0.887 11.208 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.974 -0.502 12.339 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.537 0.865 13.676 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.821 0.545 12.527 1.00 0.00 H new ATOM 368 N LEU A 27 -3.160 0.742 9.313 1.00 0.00 N ATOM 369 CA LEU A 27 -4.319 1.009 8.473 1.00 0.00 C ATOM 370 C LEU A 27 -5.312 -0.141 8.611 1.00 0.00 C ATOM 371 O LEU A 27 -5.044 -1.256 8.167 1.00 0.00 O ATOM 372 CB LEU A 27 -3.885 1.166 7.014 1.00 0.00 C ATOM 373 CG LEU A 27 -5.019 1.408 6.014 1.00 0.00 C ATOM 374 CD1 LEU A 27 -4.745 2.657 5.188 1.00 0.00 C ATOM 375 CD2 LEU A 27 -5.203 0.200 5.104 1.00 0.00 C ATOM 0 H LEU A 27 -2.684 -0.134 9.099 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.795 1.936 8.791 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.183 1.997 6.949 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.345 0.268 6.715 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.941 1.558 6.575 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.561 2.813 4.483 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.666 3.520 5.849 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.811 2.533 4.640 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.014 0.394 4.402 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.281 0.016 4.552 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.446 -0.675 5.706 1.00 0.00 H new ATOM 387 N THR A 28 -6.444 0.118 9.257 1.00 0.00 N ATOM 388 CA THR A 28 -7.443 -0.924 9.476 1.00 0.00 C ATOM 389 C THR A 28 -8.599 -0.848 8.485 1.00 0.00 C ATOM 390 O THR A 28 -9.380 0.104 8.493 1.00 0.00 O ATOM 391 CB THR A 28 -7.987 -0.839 10.903 1.00 0.00 C ATOM 392 OG1 THR A 28 -6.966 -0.452 11.806 1.00 0.00 O ATOM 393 CG2 THR A 28 -8.569 -2.146 11.400 1.00 0.00 C ATOM 0 H THR A 28 -6.692 1.032 9.636 1.00 0.00 H new ATOM 0 HA THR A 28 -6.942 -1.879 9.321 1.00 0.00 H new ATOM 0 HB THR A 28 -8.784 -0.096 10.866 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.333 -0.401 12.713 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.937 -2.017 12.418 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.392 -2.447 10.752 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.797 -2.916 11.388 1.00 0.00 H new ATOM 401 N TRP A 29 -8.714 -1.876 7.650 1.00 0.00 N ATOM 402 CA TRP A 29 -9.780 -1.959 6.669 1.00 0.00 C ATOM 403 C TRP A 29 -10.974 -2.705 7.252 1.00 0.00 C ATOM 404 O TRP A 29 -10.913 -3.914 7.468 1.00 0.00 O ATOM 405 CB TRP A 29 -9.294 -2.682 5.414 1.00 0.00 C ATOM 406 CG TRP A 29 -10.391 -2.931 4.426 1.00 0.00 C ATOM 407 CD1 TRP A 29 -11.002 -2.001 3.650 1.00 0.00 C ATOM 408 CD2 TRP A 29 -11.019 -4.184 4.130 1.00 0.00 C ATOM 409 NE1 TRP A 29 -11.965 -2.594 2.863 1.00 0.00 N ATOM 410 CE2 TRP A 29 -11.995 -3.938 3.144 1.00 0.00 C ATOM 411 CE3 TRP A 29 -10.845 -5.489 4.596 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -12.794 -4.955 2.619 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -11.640 -6.494 4.077 1.00 0.00 C ATOM 414 CH2 TRP A 29 -12.602 -6.222 3.098 1.00 0.00 C ATOM 0 H TRP A 29 -8.072 -2.669 7.637 1.00 0.00 H new ATOM 0 HA TRP A 29 -10.081 -0.946 6.404 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -8.511 -2.090 4.939 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -8.845 -3.634 5.699 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -10.767 -0.947 3.649 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -12.557 -2.115 2.185 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -10.102 -5.709 5.349 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -13.537 -4.749 1.862 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -11.516 -7.506 4.433 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -13.206 -7.030 2.712 1.00 0.00 H new ATOM 425 N ARG A 30 -12.059 -1.985 7.492 1.00 0.00 N ATOM 426 CA ARG A 30 -13.266 -2.591 8.035 1.00 0.00 C ATOM 427 C ARG A 30 -14.381 -2.564 6.997 1.00 0.00 C ATOM 428 O ARG A 30 -14.849 -1.495 6.607 1.00 0.00 O ATOM 429 CB ARG A 30 -13.709 -1.857 9.303 1.00 0.00 C ATOM 430 CG ARG A 30 -14.778 -2.597 10.090 1.00 0.00 C ATOM 431 CD ARG A 30 -14.715 -2.256 11.571 1.00 0.00 C ATOM 432 NE ARG A 30 -16.045 -2.166 12.170 1.00 0.00 N ATOM 433 CZ ARG A 30 -16.261 -1.951 13.465 1.00 0.00 C ATOM 434 NH1 ARG A 30 -15.240 -1.801 14.300 1.00 0.00 N ATOM 435 NH2 ARG A 30 -17.502 -1.884 13.927 1.00 0.00 N ATOM 0 H ARG A 30 -12.129 -0.982 7.320 1.00 0.00 H new ATOM 0 HA ARG A 30 -13.048 -3.628 8.291 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -12.841 -1.699 9.944 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -14.087 -0.872 9.030 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -15.762 -2.341 9.698 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -14.651 -3.671 9.957 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -14.133 -3.015 12.093 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -14.193 -1.308 11.703 1.00 0.00 H new ATOM 0 HE ARG A 30 -16.855 -2.274 11.560 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -14.283 -1.850 13.950 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -15.412 -1.636 15.292 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -18.290 -1.997 13.290 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -17.668 -1.719 14.920 1.00 0.00 H new ATOM 449 N SER A 31 -14.796 -3.744 6.545 1.00 0.00 N ATOM 450 CA SER A 31 -15.850 -3.851 5.540 1.00 0.00 C ATOM 451 C SER A 31 -17.038 -2.958 5.889 1.00 0.00 C ATOM 452 O SER A 31 -17.132 -2.439 7.001 1.00 0.00 O ATOM 453 CB SER A 31 -16.309 -5.306 5.404 1.00 0.00 C ATOM 454 OG SER A 31 -17.639 -5.384 4.920 1.00 0.00 O ATOM 0 H SER A 31 -14.419 -4.639 6.858 1.00 0.00 H new ATOM 0 HA SER A 31 -15.440 -3.515 4.587 1.00 0.00 H new ATOM 0 HB2 SER A 31 -15.641 -5.838 4.726 1.00 0.00 H new ATOM 0 HB3 SER A 31 -16.242 -5.802 6.372 1.00 0.00 H new ATOM 0 HG SER A 31 -17.904 -6.324 4.842 1.00 0.00 H new ATOM 460 N THR A 32 -17.944 -2.790 4.932 1.00 0.00 N ATOM 461 CA THR A 32 -19.125 -1.971 5.135 1.00 0.00 C ATOM 462 C THR A 32 -20.109 -2.703 6.025 1.00 0.00 C ATOM 463 O THR A 32 -20.729 -2.120 6.915 1.00 0.00 O ATOM 464 CB THR A 32 -19.779 -1.640 3.795 1.00 0.00 C ATOM 465 OG1 THR A 32 -19.042 -2.199 2.722 1.00 0.00 O ATOM 466 CG2 THR A 32 -19.906 -0.155 3.542 1.00 0.00 C ATOM 0 H THR A 32 -17.879 -3.213 4.006 1.00 0.00 H new ATOM 0 HA THR A 32 -18.829 -1.039 5.617 1.00 0.00 H new ATOM 0 HB THR A 32 -20.779 -2.069 3.850 1.00 0.00 H new ATOM 0 HG1 THR A 32 -19.250 -3.154 2.644 1.00 0.00 H new ATOM 0 HG21 THR A 32 -20.378 0.010 2.574 1.00 0.00 H new ATOM 0 HG22 THR A 32 -20.515 0.297 4.325 1.00 0.00 H new ATOM 0 HG23 THR A 32 -18.916 0.301 3.545 1.00 0.00 H new ATOM 474 N ASP A 33 -20.237 -3.992 5.768 1.00 0.00 N ATOM 475 CA ASP A 33 -21.137 -4.839 6.530 1.00 0.00 C ATOM 476 C ASP A 33 -20.474 -5.328 7.810 1.00 0.00 C ATOM 477 O ASP A 33 -21.117 -5.447 8.852 1.00 0.00 O ATOM 478 CB ASP A 33 -21.596 -6.030 5.686 1.00 0.00 C ATOM 479 CG ASP A 33 -22.602 -5.633 4.624 1.00 0.00 C ATOM 480 OD1 ASP A 33 -23.690 -5.140 4.992 1.00 0.00 O ATOM 481 OD2 ASP A 33 -22.304 -5.815 3.426 1.00 0.00 O ATOM 0 H ASP A 33 -19.725 -4.478 5.032 1.00 0.00 H new ATOM 0 HA ASP A 33 -22.009 -4.243 6.802 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -20.730 -6.489 5.209 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -22.038 -6.784 6.337 1.00 0.00 H new ATOM 486 N GLY A 34 -19.183 -5.609 7.720 1.00 0.00 N ATOM 487 CA GLY A 34 -18.443 -6.084 8.875 1.00 0.00 C ATOM 488 C GLY A 34 -18.105 -7.557 8.779 1.00 0.00 C ATOM 489 O GLY A 34 -17.894 -8.220 9.795 1.00 0.00 O ATOM 0 H GLY A 34 -18.632 -5.517 6.867 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -17.523 -5.509 8.975 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -19.029 -5.907 9.777 1.00 0.00 H new ATOM 493 N ASP A 35 -18.054 -8.072 7.555 1.00 0.00 N ATOM 494 CA ASP A 35 -17.741 -9.478 7.330 1.00 0.00 C ATOM 495 C ASP A 35 -16.280 -9.657 6.926 1.00 0.00 C ATOM 496 O ASP A 35 -15.732 -10.755 7.021 1.00 0.00 O ATOM 497 CB ASP A 35 -18.656 -10.060 6.252 1.00 0.00 C ATOM 498 CG ASP A 35 -20.122 -9.801 6.537 1.00 0.00 C ATOM 499 OD1 ASP A 35 -20.481 -9.664 7.725 1.00 0.00 O ATOM 500 OD2 ASP A 35 -20.912 -9.735 5.572 1.00 0.00 O ATOM 0 H ASP A 35 -18.225 -7.537 6.704 1.00 0.00 H new ATOM 0 HA ASP A 35 -17.906 -10.013 8.265 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -18.395 -9.628 5.286 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -18.487 -11.134 6.177 1.00 0.00 H new ATOM 505 N LYS A 36 -15.654 -8.575 6.473 1.00 0.00 N ATOM 506 CA LYS A 36 -14.258 -8.625 6.055 1.00 0.00 C ATOM 507 C LYS A 36 -13.441 -7.534 6.738 1.00 0.00 C ATOM 508 O LYS A 36 -13.894 -6.398 6.878 1.00 0.00 O ATOM 509 CB LYS A 36 -14.151 -8.485 4.536 1.00 0.00 C ATOM 510 CG LYS A 36 -15.043 -9.452 3.773 1.00 0.00 C ATOM 511 CD LYS A 36 -14.278 -10.171 2.671 1.00 0.00 C ATOM 512 CE LYS A 36 -14.652 -11.643 2.601 1.00 0.00 C ATOM 513 NZ LYS A 36 -14.796 -12.113 1.195 1.00 0.00 N ATOM 0 H LYS A 36 -16.090 -7.657 6.386 1.00 0.00 H new ATOM 0 HA LYS A 36 -13.854 -9.593 6.352 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -14.410 -7.465 4.254 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -13.115 -8.645 4.236 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -15.461 -10.184 4.464 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -15.882 -8.908 3.339 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -14.486 -9.696 1.712 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -13.207 -10.075 2.848 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -13.889 -12.236 3.106 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -15.588 -11.806 3.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -15.051 -13.121 1.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -15.542 -11.565 0.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -13.896 -11.982 0.691 1.00 0.00 H new ATOM 527 N VAL A 37 -12.235 -7.893 7.163 1.00 0.00 N ATOM 528 CA VAL A 37 -11.351 -6.951 7.833 1.00 0.00 C ATOM 529 C VAL A 37 -9.894 -7.199 7.441 1.00 0.00 C ATOM 530 O VAL A 37 -9.497 -8.334 7.180 1.00 0.00 O ATOM 531 CB VAL A 37 -11.515 -7.035 9.371 1.00 0.00 C ATOM 532 CG1 VAL A 37 -10.343 -7.752 10.030 1.00 0.00 C ATOM 533 CG2 VAL A 37 -11.697 -5.645 9.959 1.00 0.00 C ATOM 0 H VAL A 37 -11.848 -8.831 7.055 1.00 0.00 H new ATOM 0 HA VAL A 37 -11.629 -5.947 7.512 1.00 0.00 H new ATOM 0 HB VAL A 37 -12.409 -7.624 9.576 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -10.499 -7.789 11.108 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -10.271 -8.767 9.639 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -9.420 -7.214 9.815 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -11.811 -5.719 11.040 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -10.824 -5.035 9.727 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -12.587 -5.183 9.531 1.00 0.00 H new ATOM 543 N HIS A 38 -9.103 -6.131 7.399 1.00 0.00 N ATOM 544 CA HIS A 38 -7.693 -6.238 7.038 1.00 0.00 C ATOM 545 C HIS A 38 -6.907 -5.042 7.564 1.00 0.00 C ATOM 546 O HIS A 38 -7.187 -3.898 7.208 1.00 0.00 O ATOM 547 CB HIS A 38 -7.541 -6.335 5.519 1.00 0.00 C ATOM 548 CG HIS A 38 -6.124 -6.522 5.070 1.00 0.00 C ATOM 549 ND1 HIS A 38 -5.497 -7.750 5.048 1.00 0.00 N ATOM 550 CD2 HIS A 38 -5.211 -5.628 4.624 1.00 0.00 C ATOM 551 CE1 HIS A 38 -4.260 -7.603 4.608 1.00 0.00 C ATOM 552 NE2 HIS A 38 -4.062 -6.326 4.344 1.00 0.00 N ATOM 0 H HIS A 38 -9.414 -5.183 7.610 1.00 0.00 H new ATOM 0 HA HIS A 38 -7.293 -7.143 7.495 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -8.142 -7.168 5.154 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -7.941 -5.429 5.063 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -5.359 -4.564 4.510 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -3.535 -8.394 4.485 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -3.195 -5.922 3.989 1.00 0.00 H new ATOM 561 N THR A 39 -5.923 -5.312 8.416 1.00 0.00 N ATOM 562 CA THR A 39 -5.103 -4.254 8.994 1.00 0.00 C ATOM 563 C THR A 39 -3.718 -4.210 8.354 1.00 0.00 C ATOM 564 O THR A 39 -3.139 -5.247 8.029 1.00 0.00 O ATOM 565 CB THR A 39 -4.971 -4.454 10.505 1.00 0.00 C ATOM 566 OG1 THR A 39 -6.178 -4.954 11.052 1.00 0.00 O ATOM 567 CG2 THR A 39 -4.623 -3.182 11.248 1.00 0.00 C ATOM 0 H THR A 39 -5.675 -6.253 8.721 1.00 0.00 H new ATOM 0 HA THR A 39 -5.598 -3.303 8.796 1.00 0.00 H new ATOM 0 HB THR A 39 -4.155 -5.166 10.632 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.073 -5.077 12.019 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.544 -3.393 12.314 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.671 -2.797 10.883 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.403 -2.439 11.082 1.00 0.00 H new ATOM 575 N VAL A 40 -3.193 -3.001 8.188 1.00 0.00 N ATOM 576 CA VAL A 40 -1.874 -2.805 7.598 1.00 0.00 C ATOM 577 C VAL A 40 -1.025 -1.916 8.476 1.00 0.00 C ATOM 578 O VAL A 40 -1.482 -0.887 8.961 1.00 0.00 O ATOM 579 CB VAL A 40 -1.963 -2.177 6.195 1.00 0.00 C ATOM 580 CG1 VAL A 40 -0.689 -1.420 5.829 1.00 0.00 C ATOM 581 CG2 VAL A 40 -2.248 -3.255 5.174 1.00 0.00 C ATOM 0 H VAL A 40 -3.664 -2.137 8.456 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.416 -3.791 7.513 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.778 -1.453 6.199 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.794 -0.993 4.832 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.521 -0.621 6.551 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.158 -2.106 5.843 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.311 -2.809 4.182 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.446 -3.993 5.190 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.193 -3.742 5.413 1.00 0.00 H new ATOM 591 N VAL A 41 0.216 -2.301 8.667 1.00 0.00 N ATOM 592 CA VAL A 41 1.113 -1.500 9.480 1.00 0.00 C ATOM 593 C VAL A 41 2.039 -0.661 8.609 1.00 0.00 C ATOM 594 O VAL A 41 2.984 -1.172 8.008 1.00 0.00 O ATOM 595 CB VAL A 41 1.922 -2.359 10.470 1.00 0.00 C ATOM 596 CG1 VAL A 41 2.975 -1.523 11.187 1.00 0.00 C ATOM 597 CG2 VAL A 41 0.979 -3.000 11.474 1.00 0.00 C ATOM 0 H VAL A 41 0.626 -3.150 8.279 1.00 0.00 H new ATOM 0 HA VAL A 41 0.492 -0.826 10.070 1.00 0.00 H new ATOM 0 HB VAL A 41 2.441 -3.139 9.913 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.531 -2.155 11.880 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.660 -1.096 10.455 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.488 -0.720 11.740 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.552 -3.608 12.174 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.446 -2.222 12.020 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.262 -3.631 10.948 1.00 0.00 H new ATOM 607 N LEU A 42 1.748 0.633 8.548 1.00 0.00 N ATOM 608 CA LEU A 42 2.535 1.565 7.752 1.00 0.00 C ATOM 609 C LEU A 42 4.015 1.500 8.126 1.00 0.00 C ATOM 610 O LEU A 42 4.881 1.861 7.328 1.00 0.00 O ATOM 611 CB LEU A 42 2.003 2.988 7.933 1.00 0.00 C ATOM 612 CG LEU A 42 0.687 3.288 7.209 1.00 0.00 C ATOM 613 CD1 LEU A 42 0.813 2.967 5.729 1.00 0.00 C ATOM 614 CD2 LEU A 42 -0.465 2.508 7.833 1.00 0.00 C ATOM 0 H LEU A 42 0.967 1.062 9.044 1.00 0.00 H new ATOM 0 HA LEU A 42 2.442 1.280 6.704 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.864 3.174 8.998 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.760 3.689 7.583 1.00 0.00 H new ATOM 0 HG LEU A 42 0.471 4.351 7.315 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.130 3.185 5.228 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.606 3.574 5.291 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.054 1.911 5.605 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.389 2.737 7.302 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.261 1.440 7.762 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.569 2.789 8.881 1.00 0.00 H new ATOM 626 N SER A 43 4.304 1.037 9.340 1.00 0.00 N ATOM 627 CA SER A 43 5.683 0.928 9.805 1.00 0.00 C ATOM 628 C SER A 43 6.471 -0.045 8.935 1.00 0.00 C ATOM 629 O SER A 43 7.673 0.120 8.728 1.00 0.00 O ATOM 630 CB SER A 43 5.721 0.483 11.272 1.00 0.00 C ATOM 631 OG SER A 43 5.899 -0.919 11.383 1.00 0.00 O ATOM 0 H SER A 43 3.604 0.733 10.017 1.00 0.00 H new ATOM 0 HA SER A 43 6.147 1.911 9.727 1.00 0.00 H new ATOM 0 HB2 SER A 43 6.532 0.996 11.789 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.794 0.774 11.766 1.00 0.00 H new ATOM 0 HG SER A 43 5.921 -1.172 12.330 1.00 0.00 H new ATOM 637 N THR A 44 5.779 -1.052 8.424 1.00 0.00 N ATOM 638 CA THR A 44 6.399 -2.054 7.564 1.00 0.00 C ATOM 639 C THR A 44 6.241 -1.666 6.105 1.00 0.00 C ATOM 640 O THR A 44 7.105 -1.942 5.273 1.00 0.00 O ATOM 641 CB THR A 44 5.777 -3.435 7.798 1.00 0.00 C ATOM 642 OG1 THR A 44 4.634 -3.617 6.980 1.00 0.00 O ATOM 643 CG2 THR A 44 5.350 -3.665 9.229 1.00 0.00 C ATOM 0 H THR A 44 4.783 -1.199 8.590 1.00 0.00 H new ATOM 0 HA THR A 44 7.459 -2.101 7.812 1.00 0.00 H new ATOM 0 HB THR A 44 6.562 -4.148 7.548 1.00 0.00 H new ATOM 0 HG1 THR A 44 3.979 -2.914 7.172 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.918 -4.661 9.324 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.216 -3.581 9.885 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.607 -2.919 9.511 1.00 0.00 H new ATOM 651 N ILE A 45 5.120 -1.027 5.809 1.00 0.00 N ATOM 652 CA ILE A 45 4.815 -0.591 4.452 1.00 0.00 C ATOM 653 C ILE A 45 6.021 0.087 3.804 1.00 0.00 C ATOM 654 O ILE A 45 6.308 1.255 4.066 1.00 0.00 O ATOM 655 CB ILE A 45 3.602 0.367 4.427 1.00 0.00 C ATOM 656 CG1 ILE A 45 2.339 -0.366 4.890 1.00 0.00 C ATOM 657 CG2 ILE A 45 3.398 0.947 3.033 1.00 0.00 C ATOM 658 CD1 ILE A 45 2.111 -1.688 4.188 1.00 0.00 C ATOM 0 H ILE A 45 4.401 -0.797 6.495 1.00 0.00 H new ATOM 0 HA ILE A 45 4.565 -1.484 3.879 1.00 0.00 H new ATOM 0 HB ILE A 45 3.801 1.191 5.112 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.404 -0.541 5.964 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.475 0.277 4.724 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.539 1.618 3.040 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.288 1.501 2.735 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.220 0.138 2.325 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.199 -2.149 4.567 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.013 -1.518 3.116 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.957 -2.350 4.375 1.00 0.00 H new ATOM 670 N ASP A 46 6.720 -0.662 2.958 1.00 0.00 N ATOM 671 CA ASP A 46 7.896 -0.149 2.269 1.00 0.00 C ATOM 672 C ASP A 46 7.557 1.086 1.440 1.00 0.00 C ATOM 673 O ASP A 46 8.386 1.982 1.283 1.00 0.00 O ATOM 674 CB ASP A 46 8.495 -1.231 1.369 1.00 0.00 C ATOM 675 CG ASP A 46 10.011 -1.184 1.340 1.00 0.00 C ATOM 676 OD1 ASP A 46 10.570 -0.069 1.290 1.00 0.00 O ATOM 677 OD2 ASP A 46 10.638 -2.264 1.367 1.00 0.00 O ATOM 0 H ASP A 46 6.490 -1.630 2.733 1.00 0.00 H new ATOM 0 HA ASP A 46 8.628 0.138 3.024 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.171 -2.211 1.719 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.111 -1.111 0.356 1.00 0.00 H new ATOM 682 N LYS A 47 6.338 1.132 0.906 1.00 0.00 N ATOM 683 CA LYS A 47 5.917 2.264 0.093 1.00 0.00 C ATOM 684 C LYS A 47 4.435 2.180 -0.254 1.00 0.00 C ATOM 685 O LYS A 47 3.794 1.148 -0.054 1.00 0.00 O ATOM 686 CB LYS A 47 6.744 2.332 -1.194 1.00 0.00 C ATOM 687 CG LYS A 47 7.044 0.975 -1.808 1.00 0.00 C ATOM 688 CD LYS A 47 8.273 1.027 -2.702 1.00 0.00 C ATOM 689 CE LYS A 47 8.672 -0.359 -3.182 1.00 0.00 C ATOM 690 NZ LYS A 47 9.697 -0.299 -4.261 1.00 0.00 N ATOM 0 H LYS A 47 5.633 0.404 1.022 1.00 0.00 H new ATOM 0 HA LYS A 47 6.081 3.169 0.678 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.211 2.940 -1.925 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.685 2.840 -0.983 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.200 0.243 -1.016 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.185 0.639 -2.388 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.072 1.667 -3.561 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.102 1.477 -2.156 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.061 -0.936 -2.343 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.790 -0.884 -3.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.942 -1.264 -4.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.317 0.229 -5.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.549 0.180 -3.905 1.00 0.00 H new ATOM 704 N LEU A 48 3.904 3.277 -0.782 1.00 0.00 N ATOM 705 CA LEU A 48 2.501 3.343 -1.170 1.00 0.00 C ATOM 706 C LEU A 48 2.377 3.367 -2.691 1.00 0.00 C ATOM 707 O LEU A 48 3.346 3.647 -3.395 1.00 0.00 O ATOM 708 CB LEU A 48 1.846 4.591 -0.571 1.00 0.00 C ATOM 709 CG LEU A 48 0.594 4.328 0.267 1.00 0.00 C ATOM 710 CD1 LEU A 48 0.960 4.167 1.734 1.00 0.00 C ATOM 711 CD2 LEU A 48 -0.413 5.454 0.087 1.00 0.00 C ATOM 0 H LEU A 48 4.427 4.136 -0.952 1.00 0.00 H new ATOM 0 HA LEU A 48 1.990 2.459 -0.788 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.579 5.104 0.051 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.585 5.270 -1.382 1.00 0.00 H new ATOM 0 HG LEU A 48 0.137 3.400 -0.077 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.057 3.981 2.316 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.645 3.327 1.848 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.440 5.078 2.091 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.298 5.251 0.690 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.034 6.396 0.404 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.698 5.523 -0.963 1.00 0.00 H new ATOM 723 N GLN A 49 1.185 3.070 -3.194 1.00 0.00 N ATOM 724 CA GLN A 49 0.953 3.060 -4.634 1.00 0.00 C ATOM 725 C GLN A 49 -0.419 3.636 -4.973 1.00 0.00 C ATOM 726 O GLN A 49 -1.407 3.354 -4.295 1.00 0.00 O ATOM 727 CB GLN A 49 1.076 1.637 -5.181 1.00 0.00 C ATOM 728 CG GLN A 49 2.082 1.503 -6.314 1.00 0.00 C ATOM 729 CD GLN A 49 3.408 0.934 -5.852 1.00 0.00 C ATOM 730 OE1 GLN A 49 3.829 -0.132 -6.302 1.00 0.00 O ATOM 731 NE2 GLN A 49 4.074 1.642 -4.948 1.00 0.00 N ATOM 0 H GLN A 49 0.368 2.834 -2.631 1.00 0.00 H new ATOM 0 HA GLN A 49 1.711 3.688 -5.102 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.365 0.969 -4.370 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.099 1.307 -5.533 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.666 0.861 -7.090 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.248 2.481 -6.765 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.688 2.520 -4.602 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.972 1.308 -4.599 1.00 0.00 H new ATOM 740 N ALA A 50 -0.470 4.443 -6.028 1.00 0.00 N ATOM 741 CA ALA A 50 -1.718 5.058 -6.461 1.00 0.00 C ATOM 742 C ALA A 50 -1.739 5.254 -7.973 1.00 0.00 C ATOM 743 O ALA A 50 -0.782 5.762 -8.555 1.00 0.00 O ATOM 744 CB ALA A 50 -1.926 6.387 -5.753 1.00 0.00 C ATOM 0 H ALA A 50 0.340 4.686 -6.599 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.535 4.386 -6.196 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.862 6.834 -6.087 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.966 6.223 -4.676 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.099 7.058 -5.988 1.00 0.00 H new ATOM 847 N MET A 58 -8.806 3.695 -10.943 1.00 0.00 N ATOM 848 CA MET A 58 -8.444 4.231 -9.636 1.00 0.00 C ATOM 849 C MET A 58 -8.210 3.106 -8.635 1.00 0.00 C ATOM 850 O MET A 58 -9.157 2.472 -8.166 1.00 0.00 O ATOM 851 CB MET A 58 -9.540 5.166 -9.124 1.00 0.00 C ATOM 852 CG MET A 58 -9.951 6.230 -10.129 1.00 0.00 C ATOM 853 SD MET A 58 -10.366 7.801 -9.347 1.00 0.00 S ATOM 854 CE MET A 58 -8.871 8.122 -8.415 1.00 0.00 C ATOM 0 HA MET A 58 -7.518 4.795 -9.745 1.00 0.00 H new ATOM 0 HB2 MET A 58 -10.415 4.574 -8.856 1.00 0.00 H new ATOM 0 HB3 MET A 58 -9.194 5.653 -8.213 1.00 0.00 H new ATOM 0 HG2 MET A 58 -9.139 6.386 -10.840 1.00 0.00 H new ATOM 0 HG3 MET A 58 -10.810 5.874 -10.698 1.00 0.00 H new ATOM 0 HE1 MET A 58 -8.646 9.188 -8.445 1.00 0.00 H new ATOM 0 HE2 MET A 58 -9.013 7.810 -7.380 1.00 0.00 H new ATOM 0 HE3 MET A 58 -8.043 7.564 -8.852 1.00 0.00 H new ATOM 864 N MET A 59 -6.945 2.860 -8.310 1.00 0.00 N ATOM 865 CA MET A 59 -6.588 1.810 -7.363 1.00 0.00 C ATOM 866 C MET A 59 -5.265 2.126 -6.673 1.00 0.00 C ATOM 867 O MET A 59 -4.323 2.602 -7.306 1.00 0.00 O ATOM 868 CB MET A 59 -6.489 0.456 -8.072 1.00 0.00 C ATOM 869 CG MET A 59 -7.557 0.236 -9.132 1.00 0.00 C ATOM 870 SD MET A 59 -7.329 -1.307 -10.036 1.00 0.00 S ATOM 871 CE MET A 59 -6.065 -0.825 -11.212 1.00 0.00 C ATOM 0 H MET A 59 -6.150 3.374 -8.689 1.00 0.00 H new ATOM 0 HA MET A 59 -7.373 1.761 -6.609 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.507 0.371 -8.537 1.00 0.00 H new ATOM 0 HB3 MET A 59 -6.560 -0.338 -7.329 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.539 0.234 -8.658 1.00 0.00 H new ATOM 0 HG3 MET A 59 -7.544 1.070 -9.834 1.00 0.00 H new ATOM 0 HE1 MET A 59 -5.815 -1.675 -11.846 1.00 0.00 H new ATOM 0 HE2 MET A 59 -6.436 -0.008 -11.831 1.00 0.00 H new ATOM 0 HE3 MET A 59 -5.174 -0.498 -10.675 1.00 0.00 H new ATOM 881 N LEU A 60 -5.201 1.854 -5.374 1.00 0.00 N ATOM 882 CA LEU A 60 -3.988 2.106 -4.602 1.00 0.00 C ATOM 883 C LEU A 60 -3.415 0.806 -4.047 1.00 0.00 C ATOM 884 O LEU A 60 -4.154 -0.056 -3.569 1.00 0.00 O ATOM 885 CB LEU A 60 -4.278 3.079 -3.457 1.00 0.00 C ATOM 886 CG LEU A 60 -4.120 4.560 -3.806 1.00 0.00 C ATOM 887 CD1 LEU A 60 -5.262 5.024 -4.697 1.00 0.00 C ATOM 888 CD2 LEU A 60 -4.053 5.402 -2.541 1.00 0.00 C ATOM 0 H LEU A 60 -5.972 1.460 -4.834 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.250 2.551 -5.269 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.297 2.911 -3.108 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.613 2.845 -2.625 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.186 4.686 -4.353 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.132 6.080 -4.935 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.264 4.442 -5.619 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.210 4.883 -4.177 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.941 6.453 -2.809 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.970 5.270 -1.967 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.200 5.088 -1.939 1.00 0.00 H new ATOM 900 N ARG A 61 -2.093 0.672 -4.108 1.00 0.00 N ATOM 901 CA ARG A 61 -1.422 -0.523 -3.607 1.00 0.00 C ATOM 902 C ARG A 61 -0.544 -0.183 -2.408 1.00 0.00 C ATOM 903 O ARG A 61 -0.090 0.952 -2.260 1.00 0.00 O ATOM 904 CB ARG A 61 -0.576 -1.173 -4.706 1.00 0.00 C ATOM 905 CG ARG A 61 -1.214 -1.125 -6.087 1.00 0.00 C ATOM 906 CD ARG A 61 -0.174 -1.276 -7.187 1.00 0.00 C ATOM 907 NE ARG A 61 -0.047 -2.660 -7.635 1.00 0.00 N ATOM 908 CZ ARG A 61 0.737 -3.564 -7.050 1.00 0.00 C ATOM 909 NH1 ARG A 61 1.467 -3.238 -5.989 1.00 0.00 N ATOM 910 NH2 ARG A 61 0.793 -4.800 -7.527 1.00 0.00 N ATOM 0 H ARG A 61 -1.466 1.375 -4.499 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.189 -1.231 -3.292 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.393 -0.675 -4.747 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.389 -2.213 -4.439 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.955 -1.919 -6.174 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.743 -0.180 -6.212 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.447 -0.645 -8.033 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.791 -0.923 -6.824 1.00 0.00 H new ATOM 0 HE ARG A 61 -0.592 -2.952 -8.446 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.430 -2.289 -5.616 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.065 -3.936 -5.547 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.236 -5.058 -8.342 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.393 -5.493 -7.079 1.00 0.00 H new ATOM 924 N LEU A 62 -0.319 -1.170 -1.548 1.00 0.00 N ATOM 925 CA LEU A 62 0.496 -0.975 -0.353 1.00 0.00 C ATOM 926 C LEU A 62 1.668 -1.951 -0.327 1.00 0.00 C ATOM 927 O LEU A 62 1.476 -3.162 -0.216 1.00 0.00 O ATOM 928 CB LEU A 62 -0.370 -1.159 0.900 1.00 0.00 C ATOM 929 CG LEU A 62 -0.189 -0.127 2.029 1.00 0.00 C ATOM 930 CD1 LEU A 62 0.621 1.080 1.581 1.00 0.00 C ATOM 931 CD2 LEU A 62 -1.545 0.317 2.551 1.00 0.00 C ATOM 0 H LEU A 62 -0.690 -2.114 -1.656 1.00 0.00 H new ATOM 0 HA LEU A 62 0.898 0.038 -0.370 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.416 -1.147 0.594 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.168 -2.149 1.309 1.00 0.00 H new ATOM 0 HG LEU A 62 0.369 -0.613 2.829 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.722 1.779 2.411 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.610 0.755 1.258 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.113 1.572 0.752 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.407 1.047 3.349 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.116 0.770 1.741 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.086 -0.546 2.939 1.00 0.00 H new ATOM 943 N ILE A 63 2.881 -1.417 -0.421 1.00 0.00 N ATOM 944 CA ILE A 63 4.082 -2.242 -0.401 1.00 0.00 C ATOM 945 C ILE A 63 4.536 -2.482 1.032 1.00 0.00 C ATOM 946 O ILE A 63 4.631 -1.548 1.822 1.00 0.00 O ATOM 947 CB ILE A 63 5.231 -1.588 -1.195 1.00 0.00 C ATOM 948 CG1 ILE A 63 4.819 -1.387 -2.652 1.00 0.00 C ATOM 949 CG2 ILE A 63 6.493 -2.436 -1.113 1.00 0.00 C ATOM 950 CD1 ILE A 63 4.411 -2.670 -3.338 1.00 0.00 C ATOM 0 H ILE A 63 3.058 -0.417 -0.512 1.00 0.00 H new ATOM 0 HA ILE A 63 3.832 -3.192 -0.872 1.00 0.00 H new ATOM 0 HB ILE A 63 5.444 -0.614 -0.754 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.990 -0.681 -2.694 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.648 -0.938 -3.199 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.291 -1.957 -1.680 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.797 -2.536 -0.071 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.295 -3.424 -1.529 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.130 -2.458 -4.370 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.246 -3.370 -3.326 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.562 -3.109 -2.814 1.00 0.00 H new ATOM 962 N GLY A 64 4.809 -3.740 1.357 1.00 0.00 N ATOM 963 CA GLY A 64 5.246 -4.083 2.700 1.00 0.00 C ATOM 964 C GLY A 64 6.692 -4.535 2.747 1.00 0.00 C ATOM 965 O GLY A 64 7.340 -4.664 1.710 1.00 0.00 O ATOM 0 H GLY A 64 4.736 -4.530 0.716 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.119 -3.218 3.351 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.609 -4.875 3.094 1.00 0.00 H new ATOM 969 N LYS A 65 7.198 -4.776 3.951 1.00 0.00 N ATOM 970 CA LYS A 65 8.578 -5.216 4.120 1.00 0.00 C ATOM 971 C LYS A 65 8.686 -6.733 3.984 1.00 0.00 C ATOM 972 O LYS A 65 7.815 -7.471 4.445 1.00 0.00 O ATOM 973 CB LYS A 65 9.114 -4.771 5.484 1.00 0.00 C ATOM 974 CG LYS A 65 10.418 -3.993 5.402 1.00 0.00 C ATOM 975 CD LYS A 65 10.298 -2.800 4.469 1.00 0.00 C ATOM 976 CE LYS A 65 11.049 -1.594 5.008 1.00 0.00 C ATOM 977 NZ LYS A 65 11.550 -0.716 3.914 1.00 0.00 N ATOM 0 H LYS A 65 6.676 -4.675 4.821 1.00 0.00 H new ATOM 0 HA LYS A 65 9.179 -4.757 3.335 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.363 -4.153 5.976 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.264 -5.650 6.110 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.702 -3.651 6.397 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.214 -4.651 5.052 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.689 -3.064 3.487 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.247 -2.545 4.336 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.392 -1.020 5.662 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.889 -1.931 5.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.272 -0.069 4.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.968 -1.301 3.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.760 -0.163 3.523 1.00 0.00 H new ATOM 1007 N ASP A 67 10.807 -8.432 5.365 1.00 0.00 N ATOM 1008 CA ASP A 67 11.317 -8.855 6.665 1.00 0.00 C ATOM 1009 C ASP A 67 12.629 -9.617 6.509 1.00 0.00 C ATOM 1010 O ASP A 67 13.167 -9.726 5.407 1.00 0.00 O ATOM 1011 CB ASP A 67 10.285 -9.728 7.380 1.00 0.00 C ATOM 1012 CG ASP A 67 9.393 -8.927 8.308 1.00 0.00 C ATOM 1013 OD1 ASP A 67 9.779 -8.732 9.480 1.00 0.00 O ATOM 1014 OD2 ASP A 67 8.309 -8.496 7.864 1.00 0.00 O ATOM 0 HA ASP A 67 11.504 -7.964 7.265 1.00 0.00 H new ATOM 0 HB2 ASP A 67 9.669 -10.238 6.639 1.00 0.00 H new ATOM 0 HB3 ASP A 67 10.800 -10.500 7.952 1.00 0.00 H new ATOM 1019 N GLU A 68 13.139 -10.142 7.619 1.00 0.00 N ATOM 1020 CA GLU A 68 14.390 -10.895 7.603 1.00 0.00 C ATOM 1021 C GLU A 68 14.142 -12.381 7.847 1.00 0.00 C ATOM 1022 O GLU A 68 14.974 -13.222 7.505 1.00 0.00 O ATOM 1023 CB GLU A 68 15.351 -10.346 8.658 1.00 0.00 C ATOM 1024 CG GLU A 68 15.650 -8.865 8.497 1.00 0.00 C ATOM 1025 CD GLU A 68 16.870 -8.607 7.634 1.00 0.00 C ATOM 1026 OE1 GLU A 68 17.046 -9.323 6.625 1.00 0.00 O ATOM 1027 OE2 GLU A 68 17.649 -7.690 7.966 1.00 0.00 O ATOM 0 H GLU A 68 12.707 -10.061 8.539 1.00 0.00 H new ATOM 0 HA GLU A 68 14.838 -10.782 6.616 1.00 0.00 H new ATOM 0 HB2 GLU A 68 14.927 -10.517 9.648 1.00 0.00 H new ATOM 0 HB3 GLU A 68 16.286 -10.904 8.611 1.00 0.00 H new ATOM 0 HG2 GLU A 68 14.786 -8.370 8.055 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.804 -8.420 9.480 1.00 0.00 H new ATOM 1034 N SER A 69 12.997 -12.699 8.438 1.00 0.00 N ATOM 1035 CA SER A 69 12.642 -14.084 8.727 1.00 0.00 C ATOM 1036 C SER A 69 11.617 -14.613 7.727 1.00 0.00 C ATOM 1037 O SER A 69 11.462 -15.823 7.564 1.00 0.00 O ATOM 1038 CB SER A 69 12.094 -14.206 10.151 1.00 0.00 C ATOM 1039 OG SER A 69 13.144 -14.347 11.092 1.00 0.00 O ATOM 0 H SER A 69 12.297 -12.016 8.727 1.00 0.00 H new ATOM 0 HA SER A 69 13.546 -14.686 8.638 1.00 0.00 H new ATOM 0 HB2 SER A 69 11.501 -13.324 10.393 1.00 0.00 H new ATOM 0 HB3 SER A 69 11.427 -15.066 10.215 1.00 0.00 H new ATOM 0 HG SER A 69 12.767 -14.421 11.994 1.00 0.00 H new ATOM 1045 N LYS A 70 10.920 -13.698 7.061 1.00 0.00 N ATOM 1046 CA LYS A 70 9.911 -14.072 6.078 1.00 0.00 C ATOM 1047 C LYS A 70 10.545 -14.294 4.702 1.00 0.00 C ATOM 1048 O LYS A 70 9.932 -14.890 3.817 1.00 0.00 O ATOM 1049 CB LYS A 70 8.813 -12.993 6.026 1.00 0.00 C ATOM 1050 CG LYS A 70 8.475 -12.479 4.631 1.00 0.00 C ATOM 1051 CD LYS A 70 7.602 -13.463 3.868 1.00 0.00 C ATOM 1052 CE LYS A 70 7.890 -13.423 2.376 1.00 0.00 C ATOM 1053 NZ LYS A 70 6.671 -13.701 1.567 1.00 0.00 N ATOM 0 H LYS A 70 11.036 -12.692 7.185 1.00 0.00 H new ATOM 0 HA LYS A 70 9.454 -15.015 6.378 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.907 -13.397 6.476 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.125 -12.149 6.641 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.961 -11.521 4.710 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.396 -12.302 4.075 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.773 -14.471 4.246 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.552 -13.231 4.043 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.287 -12.444 2.109 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.660 -14.156 2.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.863 -14.481 0.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.888 -13.967 2.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.409 -12.850 1.030 1.00 0.00 H new ATOM 1067 N LYS A 71 11.776 -13.811 4.530 1.00 0.00 N ATOM 1068 CA LYS A 71 12.493 -13.953 3.264 1.00 0.00 C ATOM 1069 C LYS A 71 12.366 -15.371 2.709 1.00 0.00 C ATOM 1070 O LYS A 71 12.971 -16.309 3.229 1.00 0.00 O ATOM 1071 CB LYS A 71 13.970 -13.599 3.453 1.00 0.00 C ATOM 1072 CG LYS A 71 14.355 -12.265 2.833 1.00 0.00 C ATOM 1073 CD LYS A 71 14.826 -11.275 3.885 1.00 0.00 C ATOM 1074 CE LYS A 71 16.337 -11.300 4.038 1.00 0.00 C ATOM 1075 NZ LYS A 71 16.850 -12.680 4.261 1.00 0.00 N ATOM 0 H LYS A 71 12.298 -13.317 5.254 1.00 0.00 H new ATOM 0 HA LYS A 71 12.044 -13.266 2.546 1.00 0.00 H new ATOM 0 HB2 LYS A 71 14.197 -13.575 4.519 1.00 0.00 H new ATOM 0 HB3 LYS A 71 14.584 -14.386 3.014 1.00 0.00 H new ATOM 0 HG2 LYS A 71 15.145 -12.419 2.098 1.00 0.00 H new ATOM 0 HG3 LYS A 71 13.500 -11.851 2.299 1.00 0.00 H new ATOM 0 HD2 LYS A 71 14.504 -10.271 3.611 1.00 0.00 H new ATOM 0 HD3 LYS A 71 14.359 -11.509 4.841 1.00 0.00 H new ATOM 0 HE2 LYS A 71 16.799 -10.881 3.144 1.00 0.00 H new ATOM 0 HE3 LYS A 71 16.628 -10.665 4.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 17.850 -12.637 4.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 16.297 -13.139 5.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 16.763 -13.229 3.382 1.00 0.00 H new ATOM 1089 N ARG A 72 11.579 -15.516 1.648 1.00 0.00 N ATOM 1090 CA ARG A 72 11.376 -16.816 1.020 1.00 0.00 C ATOM 1091 C ARG A 72 12.700 -17.381 0.511 1.00 0.00 C ATOM 1092 O ARG A 72 13.771 -16.899 0.880 1.00 0.00 O ATOM 1093 CB ARG A 72 10.371 -16.698 -0.130 1.00 0.00 C ATOM 1094 CG ARG A 72 10.881 -15.883 -1.309 1.00 0.00 C ATOM 1095 CD ARG A 72 10.299 -14.478 -1.313 1.00 0.00 C ATOM 1096 NE ARG A 72 8.846 -14.486 -1.171 1.00 0.00 N ATOM 1097 CZ ARG A 72 8.005 -14.768 -2.164 1.00 0.00 C ATOM 1098 NH1 ARG A 72 8.469 -15.067 -3.370 1.00 0.00 N ATOM 1099 NH2 ARG A 72 6.696 -14.751 -1.949 1.00 0.00 N ATOM 0 H ARG A 72 11.072 -14.750 1.205 1.00 0.00 H new ATOM 0 HA ARG A 72 10.975 -17.501 1.767 1.00 0.00 H new ATOM 0 HB2 ARG A 72 10.111 -17.698 -0.477 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.455 -16.242 0.246 1.00 0.00 H new ATOM 0 HG2 ARG A 72 11.969 -15.827 -1.269 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.622 -16.387 -2.240 1.00 0.00 H new ATOM 0 HD2 ARG A 72 10.739 -13.901 -0.500 1.00 0.00 H new ATOM 0 HD3 ARG A 72 10.569 -13.976 -2.242 1.00 0.00 H new ATOM 0 HE ARG A 72 8.452 -14.262 -0.257 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.475 -15.082 -3.540 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.820 -15.282 -4.127 1.00 0.00 H new ATOM 0 HH21 ARG A 72 6.334 -14.522 -1.023 1.00 0.00 H new ATOM 0 HH22 ARG A 72 6.051 -14.967 -2.709 1.00 0.00 H new ATOM 1113 N LYS A 73 12.623 -18.404 -0.333 1.00 0.00 N ATOM 1114 CA LYS A 73 13.821 -19.029 -0.883 1.00 0.00 C ATOM 1115 C LYS A 73 13.892 -18.847 -2.395 1.00 0.00 C ATOM 1116 O LYS A 73 13.069 -18.149 -2.987 1.00 0.00 O ATOM 1117 CB LYS A 73 13.848 -20.519 -0.535 1.00 0.00 C ATOM 1118 CG LYS A 73 13.703 -20.799 0.951 1.00 0.00 C ATOM 1119 CD LYS A 73 14.919 -20.324 1.730 1.00 0.00 C ATOM 1120 CE LYS A 73 15.263 -21.279 2.861 1.00 0.00 C ATOM 1121 NZ LYS A 73 15.763 -20.558 4.064 1.00 0.00 N ATOM 0 H LYS A 73 11.746 -18.817 -0.651 1.00 0.00 H new ATOM 0 HA LYS A 73 14.689 -18.541 -0.439 1.00 0.00 H new ATOM 0 HB2 LYS A 73 13.044 -21.023 -1.071 1.00 0.00 H new ATOM 0 HB3 LYS A 73 14.786 -20.949 -0.887 1.00 0.00 H new ATOM 0 HG2 LYS A 73 12.810 -20.302 1.330 1.00 0.00 H new ATOM 0 HG3 LYS A 73 13.564 -21.869 1.109 1.00 0.00 H new ATOM 0 HD2 LYS A 73 15.771 -20.234 1.057 1.00 0.00 H new ATOM 0 HD3 LYS A 73 14.727 -19.331 2.136 1.00 0.00 H new ATOM 0 HE2 LYS A 73 14.380 -21.860 3.127 1.00 0.00 H new ATOM 0 HE3 LYS A 73 16.019 -21.986 2.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 15.666 -21.169 4.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 16.764 -20.311 3.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 15.208 -19.690 4.204 1.00 0.00 H new ATOM 1135 N ASP A 74 14.887 -19.477 -3.010 1.00 0.00 N ATOM 1136 CA ASP A 74 15.075 -19.385 -4.453 1.00 0.00 C ATOM 1137 C ASP A 74 14.710 -20.697 -5.140 1.00 0.00 C ATOM 1138 O ASP A 74 15.501 -21.248 -5.909 1.00 0.00 O ATOM 1139 CB ASP A 74 16.524 -19.011 -4.774 1.00 0.00 C ATOM 1140 CG ASP A 74 16.631 -18.075 -5.961 1.00 0.00 C ATOM 1141 OD1 ASP A 74 15.698 -18.061 -6.791 1.00 0.00 O ATOM 1142 OD2 ASP A 74 17.647 -17.356 -6.061 1.00 0.00 O ATOM 0 H ASP A 74 15.576 -20.057 -2.531 1.00 0.00 H new ATOM 0 HA ASP A 74 14.412 -18.607 -4.831 1.00 0.00 H new ATOM 0 HB2 ASP A 74 16.976 -18.540 -3.901 1.00 0.00 H new ATOM 0 HB3 ASP A 74 17.094 -19.918 -4.978 1.00 0.00 H new ATOM 1147 N ASN A 75 13.502 -21.190 -4.864 1.00 0.00 N ATOM 1148 CA ASN A 75 13.007 -22.437 -5.457 1.00 0.00 C ATOM 1149 C ASN A 75 13.524 -23.661 -4.723 1.00 0.00 C ATOM 1150 O ASN A 75 12.756 -24.544 -4.340 1.00 0.00 O ATOM 1151 CB ASN A 75 13.400 -22.536 -6.934 1.00 0.00 C ATOM 1152 CG ASN A 75 12.236 -22.940 -7.817 1.00 0.00 C ATOM 1153 OD1 ASN A 75 11.579 -23.953 -7.573 1.00 0.00 O ATOM 1154 ND2 ASN A 75 11.976 -22.149 -8.852 1.00 0.00 N ATOM 0 H ASN A 75 12.842 -20.742 -4.228 1.00 0.00 H new ATOM 0 HA ASN A 75 11.921 -22.413 -5.368 1.00 0.00 H new ATOM 0 HB2 ASN A 75 13.789 -21.574 -7.269 1.00 0.00 H new ATOM 0 HB3 ASN A 75 14.205 -23.262 -7.045 1.00 0.00 H new ATOM 0 HD21 ASN A 75 11.206 -22.371 -9.483 1.00 0.00 H new ATOM 0 HD22 ASN A 75 12.547 -21.320 -9.016 1.00 0.00 H new ATOM 1161 N GLU A 76 14.828 -23.713 -4.552 1.00 0.00 N ATOM 1162 CA GLU A 76 15.470 -24.836 -3.889 1.00 0.00 C ATOM 1163 C GLU A 76 15.516 -24.627 -2.385 1.00 0.00 C ATOM 1164 O GLU A 76 15.193 -25.522 -1.605 1.00 0.00 O ATOM 1165 CB GLU A 76 16.881 -25.020 -4.441 1.00 0.00 C ATOM 1166 CG GLU A 76 17.636 -26.153 -3.784 1.00 0.00 C ATOM 1167 CD GLU A 76 19.085 -26.225 -4.221 1.00 0.00 C ATOM 1168 OE1 GLU A 76 19.409 -25.674 -5.295 1.00 0.00 O ATOM 1169 OE2 GLU A 76 19.897 -26.831 -3.491 1.00 0.00 O ATOM 0 H GLU A 76 15.471 -22.986 -4.865 1.00 0.00 H new ATOM 0 HA GLU A 76 14.886 -25.735 -4.085 1.00 0.00 H new ATOM 0 HB2 GLU A 76 16.823 -25.205 -5.514 1.00 0.00 H new ATOM 0 HB3 GLU A 76 17.440 -24.094 -4.307 1.00 0.00 H new ATOM 0 HG2 GLU A 76 17.593 -26.032 -2.702 1.00 0.00 H new ATOM 0 HG3 GLU A 76 17.143 -27.096 -4.019 1.00 0.00 H new ATOM 1176 N GLY A 77 15.921 -23.436 -1.999 1.00 0.00 N ATOM 1177 CA GLY A 77 16.016 -23.096 -0.593 1.00 0.00 C ATOM 1178 C GLY A 77 16.983 -21.956 -0.329 1.00 0.00 C ATOM 1179 O GLY A 77 17.453 -21.785 0.796 1.00 0.00 O ATOM 0 H GLY A 77 16.190 -22.687 -2.637 1.00 0.00 H new ATOM 0 HA2 GLY A 77 15.028 -22.822 -0.222 1.00 0.00 H new ATOM 0 HA3 GLY A 77 16.335 -23.974 -0.032 1.00 0.00 H new ATOM 1183 N ASN A 78 17.283 -21.174 -1.363 1.00 0.00 N ATOM 1184 CA ASN A 78 18.199 -20.050 -1.225 1.00 0.00 C ATOM 1185 C ASN A 78 17.452 -18.790 -0.798 1.00 0.00 C ATOM 1186 O ASN A 78 16.656 -18.242 -1.561 1.00 0.00 O ATOM 1187 CB ASN A 78 18.935 -19.799 -2.542 1.00 0.00 C ATOM 1188 CG ASN A 78 20.238 -20.570 -2.634 1.00 0.00 C ATOM 1189 OD1 ASN A 78 21.035 -20.577 -1.695 1.00 0.00 O ATOM 1190 ND2 ASN A 78 20.459 -21.224 -3.767 1.00 0.00 N ATOM 0 H ASN A 78 16.905 -21.299 -2.302 1.00 0.00 H new ATOM 0 HA ASN A 78 18.927 -20.299 -0.453 1.00 0.00 H new ATOM 0 HB2 ASN A 78 18.290 -20.081 -3.374 1.00 0.00 H new ATOM 0 HB3 ASN A 78 19.139 -18.733 -2.643 1.00 0.00 H new ATOM 0 HD21 ASN A 78 21.318 -21.761 -3.887 1.00 0.00 H new ATOM 0 HD22 ASN A 78 19.770 -21.190 -4.518 1.00 0.00 H new ATOM 1197 N GLU A 79 17.715 -18.334 0.423 1.00 0.00 N ATOM 1198 CA GLU A 79 17.066 -17.137 0.948 1.00 0.00 C ATOM 1199 C GLU A 79 17.349 -15.935 0.054 1.00 0.00 C ATOM 1200 O GLU A 79 18.496 -15.677 -0.311 1.00 0.00 O ATOM 1201 CB GLU A 79 17.548 -16.854 2.372 1.00 0.00 C ATOM 1202 CG GLU A 79 16.854 -17.699 3.428 1.00 0.00 C ATOM 1203 CD GLU A 79 15.763 -16.939 4.158 1.00 0.00 C ATOM 1204 OE1 GLU A 79 15.907 -15.710 4.328 1.00 0.00 O ATOM 1205 OE2 GLU A 79 14.763 -17.573 4.557 1.00 0.00 O ATOM 0 H GLU A 79 18.372 -18.775 1.067 1.00 0.00 H new ATOM 0 HA GLU A 79 15.990 -17.311 0.965 1.00 0.00 H new ATOM 0 HB2 GLU A 79 18.622 -17.031 2.425 1.00 0.00 H new ATOM 0 HB3 GLU A 79 17.387 -15.800 2.598 1.00 0.00 H new ATOM 0 HG2 GLU A 79 16.423 -18.582 2.956 1.00 0.00 H new ATOM 0 HG3 GLU A 79 17.592 -18.051 4.149 1.00 0.00 H new ATOM 1212 N VAL A 80 16.297 -15.203 -0.301 1.00 0.00 N ATOM 1213 CA VAL A 80 16.440 -14.033 -1.158 1.00 0.00 C ATOM 1214 C VAL A 80 15.300 -13.040 -0.942 1.00 0.00 C ATOM 1215 O VAL A 80 14.508 -13.179 -0.011 1.00 0.00 O ATOM 1216 CB VAL A 80 16.487 -14.438 -2.646 1.00 0.00 C ATOM 1217 CG1 VAL A 80 17.641 -15.395 -2.901 1.00 0.00 C ATOM 1218 CG2 VAL A 80 15.165 -15.057 -3.076 1.00 0.00 C ATOM 0 H VAL A 80 15.340 -15.399 -0.009 1.00 0.00 H new ATOM 0 HA VAL A 80 17.380 -13.553 -0.887 1.00 0.00 H new ATOM 0 HB VAL A 80 16.650 -13.540 -3.243 1.00 0.00 H new ATOM 0 HG11 VAL A 80 17.659 -15.670 -3.956 1.00 0.00 H new ATOM 0 HG12 VAL A 80 18.581 -14.910 -2.636 1.00 0.00 H new ATOM 0 HG13 VAL A 80 17.511 -16.291 -2.294 1.00 0.00 H new ATOM 0 HG21 VAL A 80 15.219 -15.336 -4.128 1.00 0.00 H new ATOM 0 HG22 VAL A 80 14.966 -15.945 -2.475 1.00 0.00 H new ATOM 0 HG23 VAL A 80 14.361 -14.335 -2.933 1.00 0.00 H new ATOM 1228 N VAL A 81 15.229 -12.036 -1.812 1.00 0.00 N ATOM 1229 CA VAL A 81 14.198 -11.014 -1.728 1.00 0.00 C ATOM 1230 C VAL A 81 13.742 -10.587 -3.123 1.00 0.00 C ATOM 1231 O VAL A 81 14.095 -9.506 -3.597 1.00 0.00 O ATOM 1232 CB VAL A 81 14.714 -9.782 -0.970 1.00 0.00 C ATOM 1233 CG1 VAL A 81 13.599 -8.767 -0.762 1.00 0.00 C ATOM 1234 CG2 VAL A 81 15.327 -10.194 0.359 1.00 0.00 C ATOM 0 H VAL A 81 15.880 -11.911 -2.587 1.00 0.00 H new ATOM 0 HA VAL A 81 13.353 -11.442 -1.189 1.00 0.00 H new ATOM 0 HB VAL A 81 15.489 -9.309 -1.573 1.00 0.00 H new ATOM 0 HG11 VAL A 81 13.989 -7.904 -0.223 1.00 0.00 H new ATOM 0 HG12 VAL A 81 13.213 -8.447 -1.730 1.00 0.00 H new ATOM 0 HG13 VAL A 81 12.795 -9.223 -0.184 1.00 0.00 H new ATOM 0 HG21 VAL A 81 15.688 -9.309 0.883 1.00 0.00 H new ATOM 0 HG22 VAL A 81 14.574 -10.694 0.968 1.00 0.00 H new ATOM 0 HG23 VAL A 81 16.160 -10.874 0.180 1.00 0.00 H new ATOM 1244 N PRO A 82 12.957 -11.438 -3.806 1.00 0.00 N ATOM 1245 CA PRO A 82 12.466 -11.147 -5.155 1.00 0.00 C ATOM 1246 C PRO A 82 11.380 -10.077 -5.171 1.00 0.00 C ATOM 1247 O PRO A 82 11.446 -9.128 -5.953 1.00 0.00 O ATOM 1248 CB PRO A 82 11.906 -12.486 -5.626 1.00 0.00 C ATOM 1249 CG PRO A 82 11.517 -13.188 -4.378 1.00 0.00 C ATOM 1250 CD PRO A 82 12.498 -12.751 -3.323 1.00 0.00 C ATOM 0 HA PRO A 82 13.255 -10.750 -5.793 1.00 0.00 H new ATOM 0 HB2 PRO A 82 11.050 -12.348 -6.286 1.00 0.00 H new ATOM 0 HB3 PRO A 82 12.651 -13.053 -6.184 1.00 0.00 H new ATOM 0 HG2 PRO A 82 10.497 -12.933 -4.090 1.00 0.00 H new ATOM 0 HG3 PRO A 82 11.549 -14.269 -4.514 1.00 0.00 H new ATOM 0 HD2 PRO A 82 12.027 -12.676 -2.343 1.00 0.00 H new ATOM 0 HD3 PRO A 82 13.325 -13.455 -3.227 1.00 0.00 H new ATOM 1258 N LYS A 83 10.380 -10.233 -4.308 1.00 0.00 N ATOM 1259 CA LYS A 83 9.283 -9.274 -4.238 1.00 0.00 C ATOM 1260 C LYS A 83 8.820 -9.062 -2.797 1.00 0.00 C ATOM 1261 O LYS A 83 8.704 -10.016 -2.026 1.00 0.00 O ATOM 1262 CB LYS A 83 8.106 -9.752 -5.091 1.00 0.00 C ATOM 1263 CG LYS A 83 8.480 -10.052 -6.535 1.00 0.00 C ATOM 1264 CD LYS A 83 8.600 -11.547 -6.781 1.00 0.00 C ATOM 1265 CE LYS A 83 9.377 -11.841 -8.054 1.00 0.00 C ATOM 1266 NZ LYS A 83 8.736 -11.229 -9.251 1.00 0.00 N ATOM 0 H LYS A 83 10.307 -11.010 -3.651 1.00 0.00 H new ATOM 0 HA LYS A 83 9.649 -8.323 -4.624 1.00 0.00 H new ATOM 0 HB2 LYS A 83 7.683 -10.650 -4.640 1.00 0.00 H new ATOM 0 HB3 LYS A 83 7.326 -8.991 -5.077 1.00 0.00 H new ATOM 0 HG2 LYS A 83 7.727 -9.632 -7.202 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.425 -9.566 -6.776 1.00 0.00 H new ATOM 0 HD2 LYS A 83 9.097 -12.018 -5.933 1.00 0.00 H new ATOM 0 HD3 LYS A 83 7.605 -11.986 -6.851 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.394 -11.462 -7.954 1.00 0.00 H new ATOM 0 HE3 LYS A 83 9.450 -12.920 -8.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 9.205 -11.576 -10.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 7.729 -11.489 -9.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 8.825 -10.194 -9.201 1.00 0.00 H new ATOM 1280 N PRO A 84 8.541 -7.801 -2.415 1.00 0.00 N ATOM 1281 CA PRO A 84 8.083 -7.461 -1.067 1.00 0.00 C ATOM 1282 C PRO A 84 6.586 -7.690 -0.889 1.00 0.00 C ATOM 1283 O PRO A 84 5.797 -7.411 -1.792 1.00 0.00 O ATOM 1284 CB PRO A 84 8.407 -5.978 -0.971 1.00 0.00 C ATOM 1285 CG PRO A 84 8.222 -5.480 -2.357 1.00 0.00 C ATOM 1286 CD PRO A 84 8.648 -6.602 -3.269 1.00 0.00 C ATOM 0 HA PRO A 84 8.555 -8.075 -0.300 1.00 0.00 H new ATOM 0 HB2 PRO A 84 7.744 -5.469 -0.272 1.00 0.00 H new ATOM 0 HB3 PRO A 84 9.426 -5.814 -0.620 1.00 0.00 H new ATOM 0 HG2 PRO A 84 7.182 -5.206 -2.536 1.00 0.00 H new ATOM 0 HG3 PRO A 84 8.822 -4.587 -2.533 1.00 0.00 H new ATOM 0 HD2 PRO A 84 8.003 -6.674 -4.145 1.00 0.00 H new ATOM 0 HD3 PRO A 84 9.665 -6.459 -3.634 1.00 0.00 H new ATOM 1335 N HIS A 87 -0.099 -5.289 -0.625 1.00 0.00 N ATOM 1336 CA HIS A 87 -1.540 -5.493 -0.717 1.00 0.00 C ATOM 1337 C HIS A 87 -2.122 -4.684 -1.872 1.00 0.00 C ATOM 1338 O HIS A 87 -1.588 -3.636 -2.237 1.00 0.00 O ATOM 1339 CB HIS A 87 -2.221 -5.093 0.594 1.00 0.00 C ATOM 1340 CG HIS A 87 -1.490 -5.555 1.817 1.00 0.00 C ATOM 1341 ND1 HIS A 87 -1.401 -6.881 2.184 1.00 0.00 N ATOM 1342 CD2 HIS A 87 -0.810 -4.859 2.759 1.00 0.00 C ATOM 1343 CE1 HIS A 87 -0.699 -6.981 3.299 1.00 0.00 C ATOM 1344 NE2 HIS A 87 -0.329 -5.768 3.668 1.00 0.00 N ATOM 0 HA HIS A 87 -1.724 -6.551 -0.902 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -2.317 -4.008 0.627 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -3.231 -5.503 0.608 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -0.672 -3.788 2.789 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -0.467 -7.898 3.820 1.00 0.00 H new ATOM 0 HE2 HIS A 87 0.225 -5.543 4.495 1.00 0.00 H new ATOM 1353 N MET A 88 -3.214 -5.176 -2.447 1.00 0.00 N ATOM 1354 CA MET A 88 -3.859 -4.494 -3.564 1.00 0.00 C ATOM 1355 C MET A 88 -5.211 -3.919 -3.151 1.00 0.00 C ATOM 1356 O MET A 88 -6.165 -4.659 -2.914 1.00 0.00 O ATOM 1357 CB MET A 88 -4.039 -5.456 -4.739 1.00 0.00 C ATOM 1358 CG MET A 88 -3.962 -4.777 -6.096 1.00 0.00 C ATOM 1359 SD MET A 88 -2.265 -4.540 -6.658 1.00 0.00 S ATOM 1360 CE MET A 88 -2.455 -4.791 -8.421 1.00 0.00 C ATOM 0 H MET A 88 -3.670 -6.042 -2.160 1.00 0.00 H new ATOM 0 HA MET A 88 -3.216 -3.669 -3.871 1.00 0.00 H new ATOM 0 HB2 MET A 88 -3.273 -6.230 -4.685 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.004 -5.955 -4.645 1.00 0.00 H new ATOM 0 HG2 MET A 88 -4.503 -5.376 -6.829 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.462 -3.810 -6.043 1.00 0.00 H new ATOM 0 HE1 MET A 88 -1.732 -5.531 -8.763 1.00 0.00 H new ATOM 0 HE2 MET A 88 -3.464 -5.145 -8.631 1.00 0.00 H new ATOM 0 HE3 MET A 88 -2.285 -3.849 -8.943 1.00 0.00 H new ATOM 1370 N PHE A 89 -5.285 -2.594 -3.076 1.00 0.00 N ATOM 1371 CA PHE A 89 -6.520 -1.916 -2.702 1.00 0.00 C ATOM 1372 C PHE A 89 -7.085 -1.142 -3.888 1.00 0.00 C ATOM 1373 O PHE A 89 -6.341 -0.511 -4.639 1.00 0.00 O ATOM 1374 CB PHE A 89 -6.273 -0.968 -1.527 1.00 0.00 C ATOM 1375 CG PHE A 89 -5.843 -1.669 -0.270 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -6.742 -2.433 0.456 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -4.538 -1.564 0.185 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -6.349 -3.079 1.613 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -4.138 -2.209 1.339 1.00 0.00 C ATOM 1380 CZ PHE A 89 -5.045 -2.967 2.055 1.00 0.00 C ATOM 0 H PHE A 89 -4.503 -1.968 -3.270 1.00 0.00 H new ATOM 0 HA PHE A 89 -7.247 -2.670 -2.399 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.508 -0.244 -1.809 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.185 -0.406 -1.326 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.762 -2.525 0.114 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.826 -0.971 -0.369 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -7.060 -3.670 2.171 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.118 -2.121 1.681 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.735 -3.471 2.958 1.00 0.00 H new ATOM 1390 N SER A 90 -8.401 -1.199 -4.056 1.00 0.00 N ATOM 1391 CA SER A 90 -9.057 -0.505 -5.158 1.00 0.00 C ATOM 1392 C SER A 90 -9.896 0.663 -4.652 1.00 0.00 C ATOM 1393 O SER A 90 -10.623 0.539 -3.667 1.00 0.00 O ATOM 1394 CB SER A 90 -9.938 -1.476 -5.947 1.00 0.00 C ATOM 1395 OG SER A 90 -9.420 -2.795 -5.892 1.00 0.00 O ATOM 0 H SER A 90 -9.033 -1.717 -3.445 1.00 0.00 H new ATOM 0 HA SER A 90 -8.281 -0.110 -5.814 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.951 -1.463 -5.544 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.004 -1.151 -6.985 1.00 0.00 H new ATOM 0 HG SER A 90 -10.002 -3.396 -6.402 1.00 0.00 H new ATOM 1401 N PHE A 91 -9.790 1.798 -5.334 1.00 0.00 N ATOM 1402 CA PHE A 91 -10.539 2.991 -4.960 1.00 0.00 C ATOM 1403 C PHE A 91 -11.586 3.325 -6.018 1.00 0.00 C ATOM 1404 O PHE A 91 -11.301 3.301 -7.217 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.590 4.175 -4.770 1.00 0.00 C ATOM 1406 CG PHE A 91 -8.829 4.129 -3.475 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -8.109 3.000 -3.121 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -8.837 5.212 -2.613 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -7.411 2.953 -1.929 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -8.141 5.173 -1.422 1.00 0.00 C ATOM 1411 CZ PHE A 91 -7.426 4.042 -1.077 1.00 0.00 C ATOM 0 H PHE A 91 -9.191 1.917 -6.151 1.00 0.00 H new ATOM 0 HA PHE A 91 -11.050 2.792 -4.018 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -8.882 4.200 -5.598 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -10.163 5.101 -4.813 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -8.093 2.147 -3.784 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -9.395 6.099 -2.876 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.854 2.066 -1.663 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.155 6.026 -0.760 1.00 0.00 H new ATOM 0 HZ PHE A 91 -6.881 4.009 -0.145 1.00 0.00 H new ATOM 1421 N ASN A 92 -12.799 3.633 -5.571 1.00 0.00 N ATOM 1422 CA ASN A 92 -13.887 3.967 -6.482 1.00 0.00 C ATOM 1423 C ASN A 92 -14.096 5.476 -6.568 1.00 0.00 C ATOM 1424 O ASN A 92 -14.676 5.978 -7.532 1.00 0.00 O ATOM 1425 CB ASN A 92 -15.181 3.287 -6.035 1.00 0.00 C ATOM 1426 CG ASN A 92 -15.344 1.904 -6.634 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -16.021 1.729 -7.647 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -14.722 0.911 -6.008 1.00 0.00 N ATOM 0 H ASN A 92 -13.053 3.658 -4.583 1.00 0.00 H new ATOM 0 HA ASN A 92 -13.614 3.604 -7.473 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -15.192 3.213 -4.948 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -16.031 3.906 -6.321 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -14.795 -0.042 -6.364 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -14.171 1.101 -5.171 1.00 0.00 H new ATOM 1435 N ASN A 93 -13.624 6.196 -5.557 1.00 0.00 N ATOM 1436 CA ASN A 93 -13.762 7.647 -5.523 1.00 0.00 C ATOM 1437 C ASN A 93 -12.402 8.328 -5.632 1.00 0.00 C ATOM 1438 O ASN A 93 -11.399 7.819 -5.129 1.00 0.00 O ATOM 1439 CB ASN A 93 -14.463 8.083 -4.233 1.00 0.00 C ATOM 1440 CG ASN A 93 -15.520 9.141 -4.479 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -15.279 10.125 -5.178 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -16.699 8.944 -3.903 1.00 0.00 N ATOM 0 H ASN A 93 -13.143 5.799 -4.750 1.00 0.00 H new ATOM 0 HA ASN A 93 -14.367 7.949 -6.378 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -14.924 7.215 -3.762 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -13.722 8.469 -3.533 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -17.449 9.623 -4.032 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -16.855 8.114 -3.331 1.00 0.00 H new ATOM 1449 N ARG A 94 -12.373 9.480 -6.293 1.00 0.00 N ATOM 1450 CA ARG A 94 -11.135 10.231 -6.468 1.00 0.00 C ATOM 1451 C ARG A 94 -10.817 11.053 -5.225 1.00 0.00 C ATOM 1452 O ARG A 94 -9.655 11.206 -4.850 1.00 0.00 O ATOM 1453 CB ARG A 94 -11.232 11.147 -7.690 1.00 0.00 C ATOM 1454 CG ARG A 94 -12.528 11.940 -7.760 1.00 0.00 C ATOM 1455 CD ARG A 94 -13.412 11.469 -8.904 1.00 0.00 C ATOM 1456 NE ARG A 94 -14.805 11.869 -8.721 1.00 0.00 N ATOM 1457 CZ ARG A 94 -15.784 11.557 -9.567 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -15.527 10.841 -10.654 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -17.024 11.962 -9.325 1.00 0.00 N ATOM 0 H ARG A 94 -13.193 9.914 -6.717 1.00 0.00 H new ATOM 0 HA ARG A 94 -10.328 9.516 -6.625 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -10.392 11.841 -7.680 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -11.136 10.544 -8.593 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -13.067 11.840 -6.818 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -12.301 12.999 -7.887 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -13.038 11.878 -9.843 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -13.354 10.383 -8.983 1.00 0.00 H new ATOM 0 HE ARG A 94 -15.041 12.420 -7.896 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -14.575 10.527 -10.845 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -16.281 10.605 -11.299 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -17.227 12.512 -8.491 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -17.774 11.723 -9.973 1.00 0.00 H new ATOM 1473 N THR A 95 -11.857 11.581 -4.588 1.00 0.00 N ATOM 1474 CA THR A 95 -11.704 12.382 -3.397 1.00 0.00 C ATOM 1475 C THR A 95 -11.113 11.565 -2.254 1.00 0.00 C ATOM 1476 O THR A 95 -10.131 11.970 -1.632 1.00 0.00 O ATOM 1477 CB THR A 95 -13.061 12.936 -3.008 1.00 0.00 C ATOM 1478 OG1 THR A 95 -13.960 12.889 -4.103 1.00 0.00 O ATOM 1479 CG2 THR A 95 -13.005 14.361 -2.527 1.00 0.00 C ATOM 0 H THR A 95 -12.824 11.461 -4.889 1.00 0.00 H new ATOM 0 HA THR A 95 -11.013 13.200 -3.601 1.00 0.00 H new ATOM 0 HB THR A 95 -13.405 12.303 -2.190 1.00 0.00 H new ATOM 0 HG1 THR A 95 -14.829 13.250 -3.829 1.00 0.00 H new ATOM 0 HG21 THR A 95 -14.009 14.696 -2.265 1.00 0.00 H new ATOM 0 HG22 THR A 95 -12.361 14.424 -1.650 1.00 0.00 H new ATOM 0 HG23 THR A 95 -12.605 14.996 -3.317 1.00 0.00 H new ATOM 1487 N VAL A 96 -11.715 10.410 -1.983 1.00 0.00 N ATOM 1488 CA VAL A 96 -11.243 9.537 -0.916 1.00 0.00 C ATOM 1489 C VAL A 96 -9.777 9.171 -1.120 1.00 0.00 C ATOM 1490 O VAL A 96 -9.002 9.107 -0.166 1.00 0.00 O ATOM 1491 CB VAL A 96 -12.082 8.246 -0.830 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -11.973 7.445 -2.119 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -11.655 7.408 0.366 1.00 0.00 C ATOM 0 H VAL A 96 -12.529 10.059 -2.487 1.00 0.00 H new ATOM 0 HA VAL A 96 -11.351 10.088 0.018 1.00 0.00 H new ATOM 0 HB VAL A 96 -13.127 8.526 -0.694 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -12.573 6.539 -2.036 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -12.337 8.046 -2.953 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -10.931 7.176 -2.293 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -12.259 6.502 0.409 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -10.603 7.139 0.265 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -11.796 7.982 1.282 1.00 0.00 H new ATOM 1503 N MET A 97 -9.403 8.936 -2.373 1.00 0.00 N ATOM 1504 CA MET A 97 -8.028 8.584 -2.706 1.00 0.00 C ATOM 1505 C MET A 97 -7.089 9.740 -2.388 1.00 0.00 C ATOM 1506 O MET A 97 -5.942 9.536 -1.990 1.00 0.00 O ATOM 1507 CB MET A 97 -7.923 8.202 -4.187 1.00 0.00 C ATOM 1508 CG MET A 97 -6.499 8.183 -4.720 1.00 0.00 C ATOM 1509 SD MET A 97 -6.410 7.685 -6.451 1.00 0.00 S ATOM 1510 CE MET A 97 -6.091 9.261 -7.240 1.00 0.00 C ATOM 0 H MET A 97 -10.033 8.983 -3.174 1.00 0.00 H new ATOM 0 HA MET A 97 -7.733 7.726 -2.102 1.00 0.00 H new ATOM 0 HB2 MET A 97 -8.367 7.217 -4.330 1.00 0.00 H new ATOM 0 HB3 MET A 97 -8.511 8.906 -4.776 1.00 0.00 H new ATOM 0 HG2 MET A 97 -6.061 9.175 -4.609 1.00 0.00 H new ATOM 0 HG3 MET A 97 -5.899 7.500 -4.118 1.00 0.00 H new ATOM 0 HE1 MET A 97 -6.010 9.119 -8.318 1.00 0.00 H new ATOM 0 HE2 MET A 97 -6.910 9.948 -7.025 1.00 0.00 H new ATOM 0 HE3 MET A 97 -5.159 9.677 -6.858 1.00 0.00 H new ATOM 1520 N ASP A 98 -7.590 10.951 -2.568 1.00 0.00 N ATOM 1521 CA ASP A 98 -6.810 12.153 -2.304 1.00 0.00 C ATOM 1522 C ASP A 98 -6.504 12.288 -0.815 1.00 0.00 C ATOM 1523 O ASP A 98 -5.411 12.702 -0.433 1.00 0.00 O ATOM 1524 CB ASP A 98 -7.560 13.392 -2.796 1.00 0.00 C ATOM 1525 CG ASP A 98 -7.217 13.745 -4.229 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -6.136 14.329 -4.455 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -8.029 13.438 -5.127 1.00 0.00 O ATOM 0 H ASP A 98 -8.539 11.130 -2.898 1.00 0.00 H new ATOM 0 HA ASP A 98 -5.867 12.069 -2.844 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -8.633 13.220 -2.714 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -7.323 14.237 -2.150 1.00 0.00 H new ATOM 1532 N ASN A 99 -7.477 11.934 0.019 1.00 0.00 N ATOM 1533 CA ASN A 99 -7.311 12.016 1.466 1.00 0.00 C ATOM 1534 C ASN A 99 -6.562 10.797 2.000 1.00 0.00 C ATOM 1535 O ASN A 99 -5.812 10.893 2.970 1.00 0.00 O ATOM 1536 CB ASN A 99 -8.673 12.131 2.151 1.00 0.00 C ATOM 1537 CG ASN A 99 -9.492 13.290 1.618 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -9.096 14.450 1.732 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -10.642 12.981 1.030 1.00 0.00 N ATOM 0 H ASN A 99 -8.388 11.588 -0.282 1.00 0.00 H new ATOM 0 HA ASN A 99 -6.723 12.907 1.688 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -9.227 11.203 2.010 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -8.528 12.256 3.224 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -11.236 13.719 0.651 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -10.932 12.006 0.957 1.00 0.00 H new ATOM 1546 N ILE A 100 -6.775 9.653 1.361 1.00 0.00 N ATOM 1547 CA ILE A 100 -6.123 8.414 1.770 1.00 0.00 C ATOM 1548 C ILE A 100 -4.648 8.414 1.375 1.00 0.00 C ATOM 1549 O ILE A 100 -3.772 8.191 2.210 1.00 0.00 O ATOM 1550 CB ILE A 100 -6.821 7.187 1.145 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -8.255 7.068 1.677 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -6.031 5.911 1.421 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -8.355 6.389 3.026 1.00 0.00 C ATOM 0 H ILE A 100 -7.395 9.557 0.557 1.00 0.00 H new ATOM 0 HA ILE A 100 -6.200 8.351 2.855 1.00 0.00 H new ATOM 0 HB ILE A 100 -6.862 7.325 0.065 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -8.689 8.065 1.750 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.854 6.512 0.956 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.544 5.061 0.970 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -5.033 6.001 0.993 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -5.952 5.758 2.497 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -9.400 6.343 3.334 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -7.953 5.378 2.955 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.785 6.956 3.762 1.00 0.00 H new ATOM 1565 N LYS A 101 -4.382 8.661 0.097 1.00 0.00 N ATOM 1566 CA LYS A 101 -3.015 8.683 -0.412 1.00 0.00 C ATOM 1567 C LYS A 101 -2.162 9.710 0.329 1.00 0.00 C ATOM 1568 O LYS A 101 -1.006 9.446 0.658 1.00 0.00 O ATOM 1569 CB LYS A 101 -3.015 8.991 -1.911 1.00 0.00 C ATOM 1570 CG LYS A 101 -1.683 8.712 -2.589 1.00 0.00 C ATOM 1571 CD LYS A 101 -1.675 9.210 -4.024 1.00 0.00 C ATOM 1572 CE LYS A 101 -1.204 10.653 -4.111 1.00 0.00 C ATOM 1573 NZ LYS A 101 -2.345 11.605 -4.197 1.00 0.00 N ATOM 0 H LYS A 101 -5.096 8.849 -0.607 1.00 0.00 H new ATOM 0 HA LYS A 101 -2.581 7.697 -0.245 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.791 8.398 -2.395 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -3.276 10.039 -2.058 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -0.881 9.195 -2.031 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.483 7.641 -2.573 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -1.024 8.577 -4.626 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -2.677 9.127 -4.444 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -0.598 10.890 -3.237 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -0.564 10.774 -4.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -2.013 12.510 -4.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -3.081 11.210 -4.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -2.739 11.761 -3.247 1.00 0.00 H new ATOM 1587 N MET A 102 -2.733 10.884 0.580 1.00 0.00 N ATOM 1588 CA MET A 102 -2.015 11.949 1.272 1.00 0.00 C ATOM 1589 C MET A 102 -1.820 11.622 2.746 1.00 0.00 C ATOM 1590 O MET A 102 -0.773 11.910 3.326 1.00 0.00 O ATOM 1591 CB MET A 102 -2.761 13.277 1.126 1.00 0.00 C ATOM 1592 CG MET A 102 -4.089 13.319 1.866 1.00 0.00 C ATOM 1593 SD MET A 102 -3.915 13.859 3.577 1.00 0.00 S ATOM 1594 CE MET A 102 -4.271 15.607 3.418 1.00 0.00 C ATOM 0 H MET A 102 -3.689 11.122 0.315 1.00 0.00 H new ATOM 0 HA MET A 102 -1.031 12.038 0.812 1.00 0.00 H new ATOM 0 HB2 MET A 102 -2.125 14.083 1.493 1.00 0.00 H new ATOM 0 HB3 MET A 102 -2.939 13.469 0.068 1.00 0.00 H new ATOM 0 HG2 MET A 102 -4.770 13.992 1.344 1.00 0.00 H new ATOM 0 HG3 MET A 102 -4.543 12.328 1.846 1.00 0.00 H new ATOM 0 HE1 MET A 102 -4.203 16.083 4.396 1.00 0.00 H new ATOM 0 HE2 MET A 102 -3.550 16.065 2.741 1.00 0.00 H new ATOM 0 HE3 MET A 102 -5.277 15.739 3.020 1.00 0.00 H new ATOM 1604 N THR A 103 -2.837 11.027 3.343 1.00 0.00 N ATOM 1605 CA THR A 103 -2.791 10.662 4.754 1.00 0.00 C ATOM 1606 C THR A 103 -1.908 9.441 4.978 1.00 0.00 C ATOM 1607 O THR A 103 -1.183 9.364 5.969 1.00 0.00 O ATOM 1608 CB THR A 103 -4.201 10.400 5.287 1.00 0.00 C ATOM 1609 OG1 THR A 103 -4.995 11.570 5.197 1.00 0.00 O ATOM 1610 CG2 THR A 103 -4.225 9.943 6.730 1.00 0.00 C ATOM 0 H THR A 103 -3.709 10.784 2.874 1.00 0.00 H new ATOM 0 HA THR A 103 -2.358 11.499 5.301 1.00 0.00 H new ATOM 0 HB THR A 103 -4.599 9.599 4.663 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.030 11.871 4.265 1.00 0.00 H new ATOM 0 HG21 THR A 103 -5.256 9.776 7.042 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.662 9.015 6.827 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.774 10.709 7.362 1.00 0.00 H new ATOM 1618 N LEU A 104 -1.963 8.490 4.054 1.00 0.00 N ATOM 1619 CA LEU A 104 -1.153 7.289 4.168 1.00 0.00 C ATOM 1620 C LEU A 104 0.324 7.656 4.130 1.00 0.00 C ATOM 1621 O LEU A 104 1.066 7.372 5.069 1.00 0.00 O ATOM 1622 CB LEU A 104 -1.491 6.299 3.050 1.00 0.00 C ATOM 1623 CG LEU A 104 -2.375 5.124 3.474 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -3.640 5.627 4.155 1.00 0.00 C ATOM 1625 CD2 LEU A 104 -2.724 4.256 2.274 1.00 0.00 C ATOM 0 H LEU A 104 -2.556 8.528 3.225 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.373 6.808 5.121 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.991 6.839 2.246 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.561 5.905 2.640 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.818 4.516 4.187 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.257 4.778 4.450 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.372 6.205 5.039 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.199 6.259 3.464 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.353 3.426 2.596 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.261 4.853 1.537 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -1.809 3.866 1.828 1.00 0.00 H new ATOM 1637 N GLN A 105 0.738 8.309 3.047 1.00 0.00 N ATOM 1638 CA GLN A 105 2.125 8.737 2.898 1.00 0.00 C ATOM 1639 C GLN A 105 2.568 9.543 4.112 1.00 0.00 C ATOM 1640 O GLN A 105 3.750 9.574 4.453 1.00 0.00 O ATOM 1641 CB GLN A 105 2.294 9.570 1.626 1.00 0.00 C ATOM 1642 CG GLN A 105 1.458 10.839 1.615 1.00 0.00 C ATOM 1643 CD GLN A 105 1.322 11.434 0.228 1.00 0.00 C ATOM 1644 OE1 GLN A 105 1.645 12.601 0.004 1.00 0.00 O ATOM 1645 NE2 GLN A 105 0.841 10.631 -0.713 1.00 0.00 N ATOM 0 H GLN A 105 0.134 8.553 2.262 1.00 0.00 H new ATOM 0 HA GLN A 105 2.751 7.848 2.821 1.00 0.00 H new ATOM 0 HB2 GLN A 105 3.345 9.836 1.513 1.00 0.00 H new ATOM 0 HB3 GLN A 105 2.025 8.960 0.764 1.00 0.00 H new ATOM 0 HG2 GLN A 105 0.467 10.620 2.011 1.00 0.00 H new ATOM 0 HG3 GLN A 105 1.912 11.575 2.279 1.00 0.00 H new ATOM 0 HE21 GLN A 105 0.586 9.671 -0.483 1.00 0.00 H new ATOM 0 HE22 GLN A 105 0.726 10.974 -1.667 1.00 0.00 H new ATOM 1654 N GLN A 106 1.606 10.183 4.772 1.00 0.00 N ATOM 1655 CA GLN A 106 1.899 10.975 5.960 1.00 0.00 C ATOM 1656 C GLN A 106 2.448 10.076 7.058 1.00 0.00 C ATOM 1657 O GLN A 106 3.324 10.472 7.827 1.00 0.00 O ATOM 1658 CB GLN A 106 0.646 11.710 6.445 1.00 0.00 C ATOM 1659 CG GLN A 106 0.690 13.212 6.213 1.00 0.00 C ATOM 1660 CD GLN A 106 1.965 13.848 6.731 1.00 0.00 C ATOM 1661 OE1 GLN A 106 2.071 14.184 7.911 1.00 0.00 O ATOM 1662 NE2 GLN A 106 2.942 14.017 5.848 1.00 0.00 N ATOM 0 H GLN A 106 0.622 10.168 4.505 1.00 0.00 H new ATOM 0 HA GLN A 106 2.651 11.722 5.705 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -0.226 11.298 5.936 1.00 0.00 H new ATOM 0 HB3 GLN A 106 0.513 11.520 7.510 1.00 0.00 H new ATOM 0 HG2 GLN A 106 0.596 13.413 5.146 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -0.167 13.676 6.701 1.00 0.00 H new ATOM 0 HE21 GLN A 106 2.811 13.724 4.880 1.00 0.00 H new ATOM 0 HE22 GLN A 106 3.824 14.440 6.138 1.00 0.00 H new ATOM 1671 N ILE A 107 1.936 8.855 7.102 1.00 0.00 N ATOM 1672 CA ILE A 107 2.380 7.871 8.079 1.00 0.00 C ATOM 1673 C ILE A 107 3.669 7.214 7.598 1.00 0.00 C ATOM 1674 O ILE A 107 4.567 6.911 8.383 1.00 0.00 O ATOM 1675 CB ILE A 107 1.306 6.787 8.311 1.00 0.00 C ATOM 1676 CG1 ILE A 107 0.040 7.407 8.909 1.00 0.00 C ATOM 1677 CG2 ILE A 107 1.845 5.688 9.211 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -1.161 7.327 7.993 1.00 0.00 C ATOM 0 H ILE A 107 1.209 8.521 6.469 1.00 0.00 H new ATOM 0 HA ILE A 107 2.555 8.387 9.023 1.00 0.00 H new ATOM 0 HB ILE A 107 1.047 6.344 7.349 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -0.194 6.903 9.847 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.235 8.452 9.149 1.00 0.00 H new ATOM 0 HG21 ILE A 107 1.075 4.932 9.364 1.00 0.00 H new ATOM 0 HG22 ILE A 107 2.716 5.229 8.743 1.00 0.00 H new ATOM 0 HG23 ILE A 107 2.132 6.113 10.173 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -2.022 7.785 8.481 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.946 7.856 7.064 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.382 6.283 7.773 1.00 0.00 H new ATOM 1690 N ILE A 108 3.746 7.013 6.290 1.00 0.00 N ATOM 1691 CA ILE A 108 4.917 6.413 5.659 1.00 0.00 C ATOM 1692 C ILE A 108 6.183 7.152 6.070 1.00 0.00 C ATOM 1693 O ILE A 108 7.072 6.589 6.710 1.00 0.00 O ATOM 1694 CB ILE A 108 4.798 6.463 4.124 1.00 0.00 C ATOM 1695 CG1 ILE A 108 3.473 5.862 3.669 1.00 0.00 C ATOM 1696 CG2 ILE A 108 5.958 5.744 3.462 1.00 0.00 C ATOM 1697 CD1 ILE A 108 3.307 4.406 4.028 1.00 0.00 C ATOM 0 H ILE A 108 3.002 7.260 5.637 1.00 0.00 H new ATOM 0 HA ILE A 108 4.971 5.375 5.988 1.00 0.00 H new ATOM 0 HB ILE A 108 4.830 7.509 3.820 1.00 0.00 H new ATOM 0 HG12 ILE A 108 2.656 6.431 4.113 1.00 0.00 H new ATOM 0 HG13 ILE A 108 3.388 5.972 2.588 1.00 0.00 H new ATOM 0 HG21 ILE A 108 5.848 5.795 2.379 1.00 0.00 H new ATOM 0 HG22 ILE A 108 6.895 6.219 3.754 1.00 0.00 H new ATOM 0 HG23 ILE A 108 5.966 4.700 3.777 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.340 4.051 3.671 1.00 0.00 H new ATOM 0 HD12 ILE A 108 4.102 3.824 3.562 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.359 4.290 5.111 1.00 0.00 H new ATOM 1709 N SER A 109 6.248 8.423 5.694 1.00 0.00 N ATOM 1710 CA SER A 109 7.397 9.263 6.015 1.00 0.00 C ATOM 1711 C SER A 109 7.615 9.347 7.522 1.00 0.00 C ATOM 1712 O SER A 109 8.726 9.604 7.986 1.00 0.00 O ATOM 1713 CB SER A 109 7.208 10.666 5.436 1.00 0.00 C ATOM 1714 OG SER A 109 8.444 11.212 5.007 1.00 0.00 O ATOM 0 H SER A 109 5.516 8.897 5.165 1.00 0.00 H new ATOM 0 HA SER A 109 8.280 8.807 5.567 1.00 0.00 H new ATOM 0 HB2 SER A 109 6.514 10.626 4.597 1.00 0.00 H new ATOM 0 HB3 SER A 109 6.761 11.316 6.188 1.00 0.00 H new ATOM 0 HG SER A 109 8.296 12.108 4.640 1.00 0.00 H new ATOM 1720 N ARG A 110 6.547 9.126 8.283 1.00 0.00 N ATOM 1721 CA ARG A 110 6.615 9.174 9.740 1.00 0.00 C ATOM 1722 C ARG A 110 7.772 8.325 10.266 1.00 0.00 C ATOM 1723 O ARG A 110 8.316 8.596 11.336 1.00 0.00 O ATOM 1724 CB ARG A 110 5.294 8.688 10.342 1.00 0.00 C ATOM 1725 CG ARG A 110 4.801 9.542 11.496 1.00 0.00 C ATOM 1726 CD ARG A 110 3.685 8.852 12.267 1.00 0.00 C ATOM 1727 NE ARG A 110 4.005 8.712 13.685 1.00 0.00 N ATOM 1728 CZ ARG A 110 3.937 9.710 14.563 1.00 0.00 C ATOM 1729 NH1 ARG A 110 3.560 10.921 14.171 1.00 0.00 N ATOM 1730 NH2 ARG A 110 4.245 9.497 15.834 1.00 0.00 N ATOM 0 H ARG A 110 5.621 8.911 7.913 1.00 0.00 H new ATOM 0 HA ARG A 110 6.789 10.208 10.038 1.00 0.00 H new ATOM 0 HB2 ARG A 110 4.533 8.672 9.562 1.00 0.00 H new ATOM 0 HB3 ARG A 110 5.418 7.662 10.688 1.00 0.00 H new ATOM 0 HG2 ARG A 110 5.630 9.758 12.170 1.00 0.00 H new ATOM 0 HG3 ARG A 110 4.443 10.498 11.115 1.00 0.00 H new ATOM 0 HD2 ARG A 110 2.763 9.423 12.158 1.00 0.00 H new ATOM 0 HD3 ARG A 110 3.503 7.867 11.837 1.00 0.00 H new ATOM 0 HE ARG A 110 4.298 7.795 14.023 1.00 0.00 H new ATOM 0 HH11 ARG A 110 3.321 11.089 13.194 1.00 0.00 H new ATOM 0 HH12 ARG A 110 3.509 11.683 14.847 1.00 0.00 H new ATOM 0 HH21 ARG A 110 4.534 8.568 16.140 1.00 0.00 H new ATOM 0 HH22 ARG A 110 4.193 10.262 16.507 1.00 0.00 H new ATOM 1744 N TYR A 111 8.141 7.299 9.505 1.00 0.00 N ATOM 1745 CA TYR A 111 9.233 6.412 9.895 1.00 0.00 C ATOM 1746 C TYR A 111 10.535 6.822 9.212 1.00 0.00 C ATOM 1747 O TYR A 111 11.622 6.616 9.752 1.00 0.00 O ATOM 1748 CB TYR A 111 8.895 4.962 9.541 1.00 0.00 C ATOM 1749 CG TYR A 111 7.447 4.597 9.785 1.00 0.00 C ATOM 1750 CD1 TYR A 111 6.964 4.419 11.075 1.00 0.00 C ATOM 1751 CD2 TYR A 111 6.565 4.435 8.724 1.00 0.00 C ATOM 1752 CE1 TYR A 111 5.642 4.088 11.302 1.00 0.00 C ATOM 1753 CE2 TYR A 111 5.242 4.104 8.943 1.00 0.00 C ATOM 1754 CZ TYR A 111 4.785 3.931 10.233 1.00 0.00 C ATOM 1755 OH TYR A 111 3.468 3.601 10.456 1.00 0.00 O ATOM 0 H TYR A 111 7.701 7.061 8.616 1.00 0.00 H new ATOM 0 HA TYR A 111 9.365 6.493 10.974 1.00 0.00 H new ATOM 0 HB2 TYR A 111 9.132 4.789 8.491 1.00 0.00 H new ATOM 0 HB3 TYR A 111 9.531 4.297 10.125 1.00 0.00 H new ATOM 0 HD1 TYR A 111 7.633 4.541 11.914 1.00 0.00 H new ATOM 0 HD2 TYR A 111 6.919 4.570 7.713 1.00 0.00 H new ATOM 0 HE1 TYR A 111 5.282 3.953 12.311 1.00 0.00 H new ATOM 0 HE2 TYR A 111 4.568 3.981 8.108 1.00 0.00 H new ATOM 0 HH TYR A 111 3.181 3.965 11.319 1.00 0.00 H new ATOM 1765 N LYS A 112 10.417 7.405 8.023 1.00 0.00 N ATOM 1766 CA LYS A 112 11.584 7.844 7.268 1.00 0.00 C ATOM 1767 C LYS A 112 12.230 9.059 7.926 1.00 0.00 C ATOM 1768 O LYS A 112 13.397 9.020 8.315 1.00 0.00 O ATOM 1769 CB LYS A 112 11.192 8.182 5.827 1.00 0.00 C ATOM 1770 CG LYS A 112 10.262 7.161 5.191 1.00 0.00 C ATOM 1771 CD LYS A 112 10.874 5.770 5.197 1.00 0.00 C ATOM 1772 CE LYS A 112 9.807 4.691 5.107 1.00 0.00 C ATOM 1773 NZ LYS A 112 9.597 4.234 3.705 1.00 0.00 N ATOM 0 H LYS A 112 9.525 7.584 7.562 1.00 0.00 H new ATOM 0 HA LYS A 112 12.306 7.027 7.259 1.00 0.00 H new ATOM 0 HB2 LYS A 112 10.710 9.159 5.811 1.00 0.00 H new ATOM 0 HB3 LYS A 112 12.096 8.263 5.223 1.00 0.00 H new ATOM 0 HG2 LYS A 112 9.315 7.145 5.730 1.00 0.00 H new ATOM 0 HG3 LYS A 112 10.041 7.458 4.166 1.00 0.00 H new ATOM 0 HD2 LYS A 112 11.564 5.671 4.359 1.00 0.00 H new ATOM 0 HD3 LYS A 112 11.457 5.632 6.108 1.00 0.00 H new ATOM 0 HE2 LYS A 112 10.096 3.842 5.726 1.00 0.00 H new ATOM 0 HE3 LYS A 112 8.869 5.074 5.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 8.862 3.498 3.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 9.297 5.039 3.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 10.486 3.845 3.330 1.00 0.00 H new