USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 656 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 13 GLN : amide:sc= 0.3 K(o=2.3,f=-4!) USER MOD Set 1.2: A 88 SER OG : rot 53:sc= 1.99 USER MOD Set 2.1: A 55 TYR OH : rot -13:sc= 0.509 USER MOD Set 2.2: A 79 TYR OH : rot -32:sc= 0.867 USER MOD Set 3.1: A 42 LYS NZ :NH3+ -158:sc= -0.847 (180deg=-1.52!) USER MOD Set 3.2: A 43 ASN : amide:sc= -9.81! C(o=-11!,f=-7.8!) USER MOD Single : A 9 MET CE :methyl 140:sc= -1.33 (180deg=-3.42!) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.235 USER MOD Single : A 12 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0394) USER MOD Single : A 17 THR OG1 : rot 41:sc= 0.126 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 9:sc= 0.949 USER MOD Single : A 29 CYS SG : rot -111:sc= 0.00474 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.0301 X(o=-0.03,f=-0.03) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -1.87 K(o=-1.9,f=-2.4) USER MOD Single : A 72 THR OG1 : rot 79:sc= 0.134 USER MOD Single : A 73 LYS NZ :NH3+ -137:sc= 0.125 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= -1.12 USER MOD Single : A 82 MET CE :methyl -117:sc= 0 (180deg=-0.211) USER MOD Single : A 83 THR OG1 : rot 131:sc= 0.135 USER MOD Single : A 84 THR OG1 : rot 170:sc= -0.253 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -134:sc= -1.54! (180deg=-3.65!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -20.459 -3.273 -2.076 1.00 0.00 N ATOM 60 CA GLY A 7 -19.037 -3.086 -2.303 1.00 0.00 C ATOM 61 C GLY A 7 -18.366 -2.325 -1.177 1.00 0.00 C ATOM 62 O GLY A 7 -19.037 -1.716 -0.343 1.00 0.00 O ATOM 0 HA2 GLY A 7 -18.559 -4.059 -2.415 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.889 -2.548 -3.240 1.00 0.00 H new ATOM 66 N ILE A 8 -17.038 -2.359 -1.152 1.00 0.00 N ATOM 67 CA ILE A 8 -16.276 -1.667 -0.120 1.00 0.00 C ATOM 68 C ILE A 8 -15.781 -0.313 -0.616 1.00 0.00 C ATOM 69 O ILE A 8 -15.132 -0.223 -1.658 1.00 0.00 O ATOM 70 CB ILE A 8 -15.069 -2.504 0.345 1.00 0.00 C ATOM 71 CG1 ILE A 8 -15.538 -3.846 0.909 1.00 0.00 C ATOM 72 CG2 ILE A 8 -14.264 -1.739 1.385 1.00 0.00 C ATOM 73 CD1 ILE A 8 -14.429 -4.865 1.047 1.00 0.00 C ATOM 0 H ILE A 8 -16.468 -2.858 -1.834 1.00 0.00 H new ATOM 0 HA ILE A 8 -16.951 -1.517 0.723 1.00 0.00 H new ATOM 0 HB ILE A 8 -14.427 -2.697 -0.514 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -15.992 -3.681 1.886 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -16.314 -4.252 0.261 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -13.415 -2.343 1.704 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -13.904 -0.806 0.952 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -14.896 -1.519 2.245 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -14.835 -5.792 1.453 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -13.989 -5.059 0.069 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.662 -4.480 1.719 1.00 0.00 H new ATOM 85 N MET A 9 -16.090 0.737 0.137 1.00 0.00 N ATOM 86 CA MET A 9 -15.673 2.086 -0.225 1.00 0.00 C ATOM 87 C MET A 9 -14.548 2.571 0.684 1.00 0.00 C ATOM 88 O MET A 9 -14.610 2.413 1.903 1.00 0.00 O ATOM 89 CB MET A 9 -16.860 3.049 -0.144 1.00 0.00 C ATOM 90 CG MET A 9 -18.139 2.487 -0.742 1.00 0.00 C ATOM 91 SD MET A 9 -17.996 2.160 -2.509 1.00 0.00 S ATOM 92 CE MET A 9 -18.687 0.511 -2.606 1.00 0.00 C ATOM 0 H MET A 9 -16.628 0.680 1.002 1.00 0.00 H new ATOM 0 HA MET A 9 -15.303 2.061 -1.250 1.00 0.00 H new ATOM 0 HB2 MET A 9 -17.039 3.306 0.900 1.00 0.00 H new ATOM 0 HB3 MET A 9 -16.603 3.974 -0.660 1.00 0.00 H new ATOM 0 HG2 MET A 9 -18.401 1.563 -0.226 1.00 0.00 H new ATOM 0 HG3 MET A 9 -18.954 3.190 -0.572 1.00 0.00 H new ATOM 0 HE1 MET A 9 -19.306 0.428 -3.499 1.00 0.00 H new ATOM 0 HE2 MET A 9 -17.880 -0.220 -2.654 1.00 0.00 H new ATOM 0 HE3 MET A 9 -19.297 0.320 -1.723 1.00 0.00 H new ATOM 102 N VAL A 10 -13.520 3.161 0.083 1.00 0.00 N ATOM 103 CA VAL A 10 -12.381 3.669 0.839 1.00 0.00 C ATOM 104 C VAL A 10 -12.714 4.998 1.507 1.00 0.00 C ATOM 105 O VAL A 10 -12.716 6.047 0.862 1.00 0.00 O ATOM 106 CB VAL A 10 -11.147 3.855 -0.063 1.00 0.00 C ATOM 107 CG1 VAL A 10 -9.977 4.406 0.739 1.00 0.00 C ATOM 108 CG2 VAL A 10 -10.773 2.541 -0.733 1.00 0.00 C ATOM 0 H VAL A 10 -13.452 3.299 -0.925 1.00 0.00 H new ATOM 0 HA VAL A 10 -12.153 2.928 1.605 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.394 4.576 -0.842 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -9.114 4.531 0.085 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -10.251 5.371 1.166 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.727 3.712 1.541 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -9.899 2.691 -1.367 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -10.545 1.796 0.029 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -11.607 2.193 -1.342 1.00 0.00 H new ATOM 118 N THR A 11 -12.995 4.947 2.806 1.00 0.00 N ATOM 119 CA THR A 11 -13.330 6.147 3.562 1.00 0.00 C ATOM 120 C THR A 11 -12.126 7.073 3.686 1.00 0.00 C ATOM 121 O THR A 11 -12.234 8.282 3.478 1.00 0.00 O ATOM 122 CB THR A 11 -13.842 5.797 4.972 1.00 0.00 C ATOM 123 OG1 THR A 11 -12.771 5.273 5.766 1.00 0.00 O ATOM 124 CG2 THR A 11 -14.972 4.781 4.901 1.00 0.00 C ATOM 0 H THR A 11 -12.997 4.088 3.356 1.00 0.00 H new ATOM 0 HA THR A 11 -14.121 6.657 3.012 1.00 0.00 H new ATOM 0 HB THR A 11 -14.223 6.708 5.433 1.00 0.00 H new ATOM 0 HG1 THR A 11 -13.104 5.055 6.661 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.317 4.550 5.909 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.797 5.194 4.321 1.00 0.00 H new ATOM 0 HG23 THR A 11 -14.613 3.870 4.422 1.00 0.00 H new ATOM 132 N LYS A 12 -10.977 6.499 4.027 1.00 0.00 N ATOM 133 CA LYS A 12 -9.750 7.273 4.177 1.00 0.00 C ATOM 134 C LYS A 12 -8.746 6.919 3.085 1.00 0.00 C ATOM 135 O LYS A 12 -7.997 5.950 3.208 1.00 0.00 O ATOM 136 CB LYS A 12 -9.130 7.022 5.554 1.00 0.00 C ATOM 137 CG LYS A 12 -7.965 7.943 5.873 1.00 0.00 C ATOM 138 CD LYS A 12 -7.439 7.709 7.280 1.00 0.00 C ATOM 139 CE LYS A 12 -6.119 8.430 7.508 1.00 0.00 C ATOM 140 NZ LYS A 12 -6.256 9.904 7.341 1.00 0.00 N ATOM 0 H LYS A 12 -10.870 5.500 4.205 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.003 8.329 4.085 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -9.899 7.144 6.317 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.790 5.988 5.607 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.164 7.781 5.152 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.281 8.981 5.770 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -8.174 8.055 8.007 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.305 6.640 7.446 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.754 8.211 8.511 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.374 8.053 6.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.368 10.369 7.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.464 10.123 6.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.031 10.251 7.941 1.00 0.00 H new ATOM 154 N GLN A 13 -8.737 7.710 2.017 1.00 0.00 N ATOM 155 CA GLN A 13 -7.825 7.480 0.903 1.00 0.00 C ATOM 156 C GLN A 13 -6.373 7.616 1.352 1.00 0.00 C ATOM 157 O GLN A 13 -6.078 8.287 2.342 1.00 0.00 O ATOM 158 CB GLN A 13 -8.114 8.462 -0.233 1.00 0.00 C ATOM 159 CG GLN A 13 -9.514 8.330 -0.810 1.00 0.00 C ATOM 160 CD GLN A 13 -9.586 7.320 -1.939 1.00 0.00 C ATOM 161 OE1 GLN A 13 -8.634 7.156 -2.703 1.00 0.00 O ATOM 162 NE2 GLN A 13 -10.718 6.636 -2.049 1.00 0.00 N ATOM 0 H GLN A 13 -9.351 8.516 1.900 1.00 0.00 H new ATOM 0 HA GLN A 13 -7.982 6.463 0.542 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.975 9.479 0.133 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.386 8.308 -1.029 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.203 8.035 -0.019 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.846 9.302 -1.175 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -11.481 6.804 -1.394 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.825 5.942 -2.789 1.00 0.00 H new ATOM 171 N LEU A 14 -5.470 6.974 0.619 1.00 0.00 N ATOM 172 CA LEU A 14 -4.048 7.023 0.941 1.00 0.00 C ATOM 173 C LEU A 14 -3.518 8.450 0.852 1.00 0.00 C ATOM 174 O LEU A 14 -3.989 9.247 0.041 1.00 0.00 O ATOM 175 CB LEU A 14 -3.260 6.114 -0.003 1.00 0.00 C ATOM 176 CG LEU A 14 -3.717 4.656 -0.069 1.00 0.00 C ATOM 177 CD1 LEU A 14 -3.306 4.028 -1.392 1.00 0.00 C ATOM 178 CD2 LEU A 14 -3.147 3.865 1.099 1.00 0.00 C ATOM 0 H LEU A 14 -5.697 6.413 -0.202 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.920 6.671 1.965 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.311 6.535 -1.007 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.213 6.132 0.298 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.805 4.632 -0.001 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.639 2.991 -1.421 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.763 4.579 -2.214 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.221 4.063 -1.490 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.483 2.830 1.036 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.058 3.896 1.063 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.491 4.301 2.037 1.00 0.00 H new ATOM 190 N GLU A 15 -2.536 8.765 1.690 1.00 0.00 N ATOM 191 CA GLU A 15 -1.941 10.096 1.704 1.00 0.00 C ATOM 192 C GLU A 15 -0.477 10.043 1.278 1.00 0.00 C ATOM 193 O GLU A 15 0.290 9.206 1.754 1.00 0.00 O ATOM 194 CB GLU A 15 -2.055 10.715 3.099 1.00 0.00 C ATOM 195 CG GLU A 15 -1.343 9.917 4.179 1.00 0.00 C ATOM 196 CD GLU A 15 -1.250 10.668 5.493 1.00 0.00 C ATOM 197 OE1 GLU A 15 -0.408 11.584 5.595 1.00 0.00 O ATOM 198 OE2 GLU A 15 -2.020 10.339 6.419 1.00 0.00 O ATOM 0 H GLU A 15 -2.136 8.117 2.368 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.486 10.717 0.993 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.644 11.724 3.074 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.109 10.806 3.362 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.871 8.977 4.339 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.339 9.665 3.837 1.00 0.00 H new ATOM 205 N ASP A 16 -0.097 10.942 0.376 1.00 0.00 N ATOM 206 CA ASP A 16 1.275 10.998 -0.116 1.00 0.00 C ATOM 207 C ASP A 16 2.270 10.877 1.034 1.00 0.00 C ATOM 208 O ASP A 16 2.198 11.620 2.013 1.00 0.00 O ATOM 209 CB ASP A 16 1.513 12.303 -0.877 1.00 0.00 C ATOM 210 CG ASP A 16 2.987 12.618 -1.039 1.00 0.00 C ATOM 211 OD1 ASP A 16 3.553 13.287 -0.148 1.00 0.00 O ATOM 212 OD2 ASP A 16 3.575 12.196 -2.056 1.00 0.00 O ATOM 0 H ASP A 16 -0.719 11.641 -0.029 1.00 0.00 H new ATOM 0 HA ASP A 16 1.427 10.158 -0.794 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.048 12.236 -1.861 1.00 0.00 H new ATOM 0 HB3 ASP A 16 1.025 13.122 -0.349 1.00 0.00 H new ATOM 217 N THR A 17 3.198 9.933 0.910 1.00 0.00 N ATOM 218 CA THR A 17 4.206 9.712 1.939 1.00 0.00 C ATOM 219 C THR A 17 5.607 9.980 1.403 1.00 0.00 C ATOM 220 O THR A 17 5.921 9.646 0.260 1.00 0.00 O ATOM 221 CB THR A 17 4.144 8.273 2.486 1.00 0.00 C ATOM 222 OG1 THR A 17 2.875 8.038 3.105 1.00 0.00 O ATOM 223 CG2 THR A 17 5.258 8.029 3.493 1.00 0.00 C ATOM 0 H THR A 17 3.272 9.309 0.106 1.00 0.00 H new ATOM 0 HA THR A 17 3.990 10.410 2.748 1.00 0.00 H new ATOM 0 HB THR A 17 4.273 7.585 1.651 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.167 8.448 2.565 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.194 7.007 3.866 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.224 8.180 3.011 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.155 8.725 4.325 1.00 0.00 H new ATOM 231 N THR A 18 6.448 10.586 2.235 1.00 0.00 N ATOM 232 CA THR A 18 7.817 10.900 1.845 1.00 0.00 C ATOM 233 C THR A 18 8.822 10.221 2.768 1.00 0.00 C ATOM 234 O THR A 18 9.042 10.664 3.895 1.00 0.00 O ATOM 235 CB THR A 18 8.071 12.419 1.857 1.00 0.00 C ATOM 236 OG1 THR A 18 7.170 13.074 0.956 1.00 0.00 O ATOM 237 CG2 THR A 18 9.506 12.732 1.464 1.00 0.00 C ATOM 0 H THR A 18 6.205 10.869 3.184 1.00 0.00 H new ATOM 0 HA THR A 18 7.949 10.525 0.830 1.00 0.00 H new ATOM 0 HB THR A 18 7.901 12.785 2.870 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.337 14.040 0.971 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.661 13.811 1.480 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.188 12.257 2.169 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.699 12.353 0.461 1.00 0.00 H new ATOM 245 N ALA A 19 9.430 9.143 2.283 1.00 0.00 N ATOM 246 CA ALA A 19 10.414 8.405 3.064 1.00 0.00 C ATOM 247 C ALA A 19 11.798 8.493 2.428 1.00 0.00 C ATOM 248 O ALA A 19 11.959 9.053 1.344 1.00 0.00 O ATOM 249 CB ALA A 19 9.989 6.951 3.209 1.00 0.00 C ATOM 0 H ALA A 19 9.258 8.762 1.353 1.00 0.00 H new ATOM 0 HA ALA A 19 10.469 8.857 4.054 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.733 6.411 3.795 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.024 6.903 3.714 1.00 0.00 H new ATOM 0 HB3 ALA A 19 9.905 6.496 2.222 1.00 0.00 H new ATOM 255 N TYR A 20 12.793 7.936 3.110 1.00 0.00 N ATOM 256 CA TYR A 20 14.163 7.954 2.613 1.00 0.00 C ATOM 257 C TYR A 20 14.572 6.581 2.091 1.00 0.00 C ATOM 258 O TYR A 20 13.792 5.629 2.139 1.00 0.00 O ATOM 259 CB TYR A 20 15.123 8.398 3.719 1.00 0.00 C ATOM 260 CG TYR A 20 15.226 9.899 3.865 1.00 0.00 C ATOM 261 CD1 TYR A 20 14.087 10.696 3.870 1.00 0.00 C ATOM 262 CD2 TYR A 20 16.461 10.521 3.998 1.00 0.00 C ATOM 263 CE1 TYR A 20 14.176 12.068 4.003 1.00 0.00 C ATOM 264 CE2 TYR A 20 16.559 11.893 4.133 1.00 0.00 C ATOM 265 CZ TYR A 20 15.414 12.662 4.134 1.00 0.00 C ATOM 266 OH TYR A 20 15.508 14.028 4.267 1.00 0.00 O ATOM 0 H TYR A 20 12.676 7.467 4.008 1.00 0.00 H new ATOM 0 HA TYR A 20 14.214 8.665 1.789 1.00 0.00 H new ATOM 0 HB2 TYR A 20 14.795 7.971 4.667 1.00 0.00 H new ATOM 0 HB3 TYR A 20 16.114 7.993 3.513 1.00 0.00 H new ATOM 0 HD1 TYR A 20 13.116 10.235 3.768 1.00 0.00 H new ATOM 0 HD2 TYR A 20 17.360 9.922 3.996 1.00 0.00 H new ATOM 0 HE1 TYR A 20 13.281 12.672 4.004 1.00 0.00 H new ATOM 0 HE2 TYR A 20 17.527 12.360 4.237 1.00 0.00 H new ATOM 0 HH TYR A 20 16.450 14.285 4.350 1.00 0.00 H new ATOM 276 N CYS A 21 15.800 6.486 1.592 1.00 0.00 N ATOM 277 CA CYS A 21 16.314 5.229 1.060 1.00 0.00 C ATOM 278 C CYS A 21 16.553 4.221 2.179 1.00 0.00 C ATOM 279 O CYS A 21 17.232 4.519 3.161 1.00 0.00 O ATOM 280 CB CYS A 21 17.612 5.471 0.289 1.00 0.00 C ATOM 281 SG CYS A 21 19.076 5.628 1.339 1.00 0.00 S ATOM 0 H CYS A 21 16.458 7.264 1.545 1.00 0.00 H new ATOM 0 HA CYS A 21 15.567 4.818 0.381 1.00 0.00 H new ATOM 0 HB2 CYS A 21 17.766 4.649 -0.410 1.00 0.00 H new ATOM 0 HB3 CYS A 21 17.505 6.378 -0.305 1.00 0.00 H new ATOM 0 HG CYS A 21 18.767 5.318 2.563 1.00 0.00 H new ATOM 287 N GLY A 22 15.987 3.028 2.025 1.00 0.00 N ATOM 288 CA GLY A 22 16.149 1.995 3.032 1.00 0.00 C ATOM 289 C GLY A 22 15.223 2.189 4.216 1.00 0.00 C ATOM 290 O GLY A 22 15.020 1.271 5.010 1.00 0.00 O ATOM 0 H GLY A 22 15.419 2.758 1.222 1.00 0.00 H new ATOM 0 HA2 GLY A 22 15.959 1.020 2.582 1.00 0.00 H new ATOM 0 HA3 GLY A 22 17.182 1.990 3.380 1.00 0.00 H new ATOM 294 N GLU A 23 14.661 3.388 4.335 1.00 0.00 N ATOM 295 CA GLU A 23 13.753 3.700 5.433 1.00 0.00 C ATOM 296 C GLU A 23 12.523 2.798 5.395 1.00 0.00 C ATOM 297 O GLU A 23 12.328 2.037 4.447 1.00 0.00 O ATOM 298 CB GLU A 23 13.326 5.167 5.370 1.00 0.00 C ATOM 299 CG GLU A 23 14.244 6.103 6.137 1.00 0.00 C ATOM 300 CD GLU A 23 14.606 5.570 7.510 1.00 0.00 C ATOM 301 OE1 GLU A 23 13.687 5.391 8.337 1.00 0.00 O ATOM 302 OE2 GLU A 23 15.806 5.333 7.758 1.00 0.00 O ATOM 0 H GLU A 23 14.818 4.158 3.685 1.00 0.00 H new ATOM 0 HA GLU A 23 14.282 3.524 6.369 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.290 5.481 4.327 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.315 5.259 5.766 1.00 0.00 H new ATOM 0 HG2 GLU A 23 15.156 6.264 5.562 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.760 7.074 6.244 1.00 0.00 H new ATOM 309 N ARG A 24 11.698 2.888 6.432 1.00 0.00 N ATOM 310 CA ARG A 24 10.488 2.080 6.519 1.00 0.00 C ATOM 311 C ARG A 24 9.252 2.914 6.193 1.00 0.00 C ATOM 312 O ARG A 24 9.010 3.951 6.810 1.00 0.00 O ATOM 313 CB ARG A 24 10.352 1.474 7.917 1.00 0.00 C ATOM 314 CG ARG A 24 9.014 0.796 8.160 1.00 0.00 C ATOM 315 CD ARG A 24 8.617 0.857 9.627 1.00 0.00 C ATOM 316 NE ARG A 24 7.481 -0.012 9.923 1.00 0.00 N ATOM 317 CZ ARG A 24 7.229 -0.506 11.130 1.00 0.00 C ATOM 318 NH1 ARG A 24 8.027 -0.217 12.148 1.00 0.00 N ATOM 319 NH2 ARG A 24 6.175 -1.290 11.321 1.00 0.00 N ATOM 0 H ARG A 24 11.845 3.513 7.225 1.00 0.00 H new ATOM 0 HA ARG A 24 10.566 1.276 5.788 1.00 0.00 H new ATOM 0 HB2 ARG A 24 11.150 0.747 8.068 1.00 0.00 H new ATOM 0 HB3 ARG A 24 10.492 2.260 8.659 1.00 0.00 H new ATOM 0 HG2 ARG A 24 8.246 1.276 7.554 1.00 0.00 H new ATOM 0 HG3 ARG A 24 9.069 -0.244 7.840 1.00 0.00 H new ATOM 0 HD2 ARG A 24 9.467 0.566 10.245 1.00 0.00 H new ATOM 0 HD3 ARG A 24 8.367 1.884 9.892 1.00 0.00 H new ATOM 0 HE ARG A 24 6.847 -0.253 9.161 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.837 0.386 12.006 1.00 0.00 H new ATOM 0 HH12 ARG A 24 7.831 -0.598 13.074 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.558 -1.514 10.540 1.00 0.00 H new ATOM 0 HH22 ARG A 24 5.982 -1.669 12.248 1.00 0.00 H new ATOM 333 N VAL A 25 8.474 2.453 5.218 1.00 0.00 N ATOM 334 CA VAL A 25 7.264 3.156 4.810 1.00 0.00 C ATOM 335 C VAL A 25 6.016 2.444 5.321 1.00 0.00 C ATOM 336 O VAL A 25 5.898 1.224 5.212 1.00 0.00 O ATOM 337 CB VAL A 25 7.178 3.282 3.277 1.00 0.00 C ATOM 338 CG1 VAL A 25 5.974 4.121 2.877 1.00 0.00 C ATOM 339 CG2 VAL A 25 8.462 3.877 2.719 1.00 0.00 C ATOM 0 H VAL A 25 8.660 1.596 4.697 1.00 0.00 H new ATOM 0 HA VAL A 25 7.315 4.153 5.247 1.00 0.00 H new ATOM 0 HB VAL A 25 7.053 2.285 2.854 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.930 4.199 1.791 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.063 3.649 3.244 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.065 5.118 3.309 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.384 3.959 1.635 1.00 0.00 H new ATOM 0 HG22 VAL A 25 8.621 4.867 3.147 1.00 0.00 H new ATOM 0 HG23 VAL A 25 9.303 3.232 2.975 1.00 0.00 H new ATOM 349 N GLU A 26 5.087 3.215 5.878 1.00 0.00 N ATOM 350 CA GLU A 26 3.848 2.657 6.406 1.00 0.00 C ATOM 351 C GLU A 26 2.637 3.412 5.865 1.00 0.00 C ATOM 352 O GLU A 26 2.364 4.542 6.272 1.00 0.00 O ATOM 353 CB GLU A 26 3.852 2.705 7.935 1.00 0.00 C ATOM 354 CG GLU A 26 4.580 1.538 8.579 1.00 0.00 C ATOM 355 CD GLU A 26 4.225 1.364 10.043 1.00 0.00 C ATOM 356 OE1 GLU A 26 3.875 2.373 10.691 1.00 0.00 O ATOM 357 OE2 GLU A 26 4.296 0.221 10.540 1.00 0.00 O ATOM 0 H GLU A 26 5.169 4.227 5.975 1.00 0.00 H new ATOM 0 HA GLU A 26 3.781 1.618 6.083 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.317 3.636 8.260 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.822 2.722 8.292 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.339 0.622 8.039 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.655 1.689 8.485 1.00 0.00 H new ATOM 364 N LEU A 27 1.916 2.780 4.946 1.00 0.00 N ATOM 365 CA LEU A 27 0.734 3.392 4.348 1.00 0.00 C ATOM 366 C LEU A 27 -0.538 2.906 5.036 1.00 0.00 C ATOM 367 O LEU A 27 -0.921 1.744 4.904 1.00 0.00 O ATOM 368 CB LEU A 27 0.672 3.073 2.853 1.00 0.00 C ATOM 369 CG LEU A 27 1.915 3.431 2.038 1.00 0.00 C ATOM 370 CD1 LEU A 27 1.766 2.957 0.601 1.00 0.00 C ATOM 371 CD2 LEU A 27 2.169 4.931 2.083 1.00 0.00 C ATOM 0 H LEU A 27 2.128 1.845 4.599 1.00 0.00 H new ATOM 0 HA LEU A 27 0.807 4.471 4.481 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.481 2.006 2.737 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.182 3.598 2.425 1.00 0.00 H new ATOM 0 HG LEU A 27 2.773 2.924 2.479 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.660 3.221 0.036 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.634 1.875 0.587 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.897 3.435 0.148 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.058 5.167 1.498 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.310 5.458 1.668 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.322 5.243 3.116 1.00 0.00 H new ATOM 383 N GLU A 28 -1.188 3.804 5.769 1.00 0.00 N ATOM 384 CA GLU A 28 -2.417 3.467 6.477 1.00 0.00 C ATOM 385 C GLU A 28 -3.640 3.968 5.713 1.00 0.00 C ATOM 386 O GLU A 28 -3.578 4.985 5.021 1.00 0.00 O ATOM 387 CB GLU A 28 -2.402 4.064 7.885 1.00 0.00 C ATOM 388 CG GLU A 28 -3.486 3.510 8.794 1.00 0.00 C ATOM 389 CD GLU A 28 -3.916 4.498 9.860 1.00 0.00 C ATOM 390 OE1 GLU A 28 -3.069 4.871 10.699 1.00 0.00 O ATOM 391 OE2 GLU A 28 -5.098 4.899 9.857 1.00 0.00 O ATOM 0 H GLU A 28 -0.884 4.770 5.888 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.476 2.381 6.552 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.429 3.877 8.339 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.518 5.145 7.813 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.351 3.231 8.193 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.123 2.600 9.272 1.00 0.00 H new ATOM 398 N CYS A 29 -4.748 3.248 5.844 1.00 0.00 N ATOM 399 CA CYS A 29 -5.985 3.618 5.166 1.00 0.00 C ATOM 400 C CYS A 29 -7.186 2.939 5.817 1.00 0.00 C ATOM 401 O CYS A 29 -7.031 2.028 6.630 1.00 0.00 O ATOM 402 CB CYS A 29 -5.912 3.241 3.686 1.00 0.00 C ATOM 403 SG CYS A 29 -6.169 1.481 3.358 1.00 0.00 S ATOM 0 H CYS A 29 -4.815 2.404 6.414 1.00 0.00 H new ATOM 0 HA CYS A 29 -6.109 4.697 5.253 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -6.660 3.814 3.139 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -4.937 3.534 3.295 1.00 0.00 H new ATOM 0 HG CYS A 29 -5.054 0.947 2.957 1.00 0.00 H new ATOM 409 N GLU A 30 -8.383 3.392 5.456 1.00 0.00 N ATOM 410 CA GLU A 30 -9.610 2.830 6.008 1.00 0.00 C ATOM 411 C GLU A 30 -10.601 2.493 4.898 1.00 0.00 C ATOM 412 O GLU A 30 -10.518 3.028 3.792 1.00 0.00 O ATOM 413 CB GLU A 30 -10.247 3.809 6.995 1.00 0.00 C ATOM 414 CG GLU A 30 -9.734 3.659 8.418 1.00 0.00 C ATOM 415 CD GLU A 30 -10.464 4.557 9.398 1.00 0.00 C ATOM 416 OE1 GLU A 30 -10.192 5.776 9.403 1.00 0.00 O ATOM 417 OE2 GLU A 30 -11.306 4.040 10.162 1.00 0.00 O ATOM 0 H GLU A 30 -8.529 4.146 4.784 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.353 1.911 6.534 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -10.059 4.828 6.656 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.327 3.665 6.990 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.842 2.621 8.732 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.669 3.890 8.443 1.00 0.00 H new ATOM 424 N VAL A 31 -11.539 1.601 5.201 1.00 0.00 N ATOM 425 CA VAL A 31 -12.547 1.192 4.230 1.00 0.00 C ATOM 426 C VAL A 31 -13.948 1.275 4.825 1.00 0.00 C ATOM 427 O VAL A 31 -14.124 1.685 5.972 1.00 0.00 O ATOM 428 CB VAL A 31 -12.297 -0.244 3.732 1.00 0.00 C ATOM 429 CG1 VAL A 31 -11.095 -0.284 2.800 1.00 0.00 C ATOM 430 CG2 VAL A 31 -12.102 -1.189 4.908 1.00 0.00 C ATOM 0 H VAL A 31 -11.622 1.148 6.111 1.00 0.00 H new ATOM 0 HA VAL A 31 -12.472 1.879 3.387 1.00 0.00 H new ATOM 0 HB VAL A 31 -13.172 -0.574 3.172 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -10.934 -1.306 2.458 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -11.279 0.361 1.941 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -10.210 0.065 3.332 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -11.927 -2.199 4.538 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.244 -0.864 5.497 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -12.995 -1.182 5.533 1.00 0.00 H new ATOM 440 N SER A 32 -14.944 0.882 4.037 1.00 0.00 N ATOM 441 CA SER A 32 -16.332 0.915 4.484 1.00 0.00 C ATOM 442 C SER A 32 -16.654 -0.304 5.344 1.00 0.00 C ATOM 443 O SER A 32 -17.354 -0.198 6.351 1.00 0.00 O ATOM 444 CB SER A 32 -17.276 0.969 3.282 1.00 0.00 C ATOM 445 OG SER A 32 -18.626 1.077 3.698 1.00 0.00 O ATOM 0 H SER A 32 -14.816 0.537 3.086 1.00 0.00 H new ATOM 0 HA SER A 32 -16.473 1.812 5.087 1.00 0.00 H new ATOM 0 HB2 SER A 32 -17.018 1.819 2.651 1.00 0.00 H new ATOM 0 HB3 SER A 32 -17.150 0.072 2.676 1.00 0.00 H new ATOM 0 HG SER A 32 -19.209 1.111 2.911 1.00 0.00 H new ATOM 451 N GLU A 33 -16.138 -1.460 4.938 1.00 0.00 N ATOM 452 CA GLU A 33 -16.372 -2.699 5.671 1.00 0.00 C ATOM 453 C GLU A 33 -15.267 -2.941 6.696 1.00 0.00 C ATOM 454 O GLU A 33 -14.271 -2.219 6.733 1.00 0.00 O ATOM 455 CB GLU A 33 -16.454 -3.881 4.704 1.00 0.00 C ATOM 456 CG GLU A 33 -17.774 -3.965 3.956 1.00 0.00 C ATOM 457 CD GLU A 33 -18.956 -4.184 4.881 1.00 0.00 C ATOM 458 OE1 GLU A 33 -18.911 -5.137 5.686 1.00 0.00 O ATOM 459 OE2 GLU A 33 -19.925 -3.401 4.799 1.00 0.00 O ATOM 0 H GLU A 33 -15.556 -1.564 4.107 1.00 0.00 H new ATOM 0 HA GLU A 33 -17.320 -2.606 6.200 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -15.641 -3.806 3.982 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -16.302 -4.806 5.260 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -17.926 -3.046 3.390 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -17.727 -4.780 3.234 1.00 0.00 H new ATOM 466 N ASP A 34 -15.453 -3.962 7.526 1.00 0.00 N ATOM 467 CA ASP A 34 -14.473 -4.301 8.551 1.00 0.00 C ATOM 468 C ASP A 34 -13.727 -5.581 8.188 1.00 0.00 C ATOM 469 O ASP A 34 -14.217 -6.396 7.405 1.00 0.00 O ATOM 470 CB ASP A 34 -15.158 -4.463 9.909 1.00 0.00 C ATOM 471 CG ASP A 34 -16.245 -5.520 9.886 1.00 0.00 C ATOM 472 OD1 ASP A 34 -17.174 -5.400 9.060 1.00 0.00 O ATOM 473 OD2 ASP A 34 -16.165 -6.469 10.693 1.00 0.00 O ATOM 0 H ASP A 34 -16.273 -4.569 7.509 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.752 -3.486 8.612 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -14.413 -4.728 10.659 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -15.589 -3.509 10.211 1.00 0.00 H new ATOM 478 N ASP A 35 -12.541 -5.752 8.761 1.00 0.00 N ATOM 479 CA ASP A 35 -11.727 -6.933 8.497 1.00 0.00 C ATOM 480 C ASP A 35 -11.827 -7.346 7.032 1.00 0.00 C ATOM 481 O ASP A 35 -12.004 -8.523 6.720 1.00 0.00 O ATOM 482 CB ASP A 35 -12.163 -8.090 9.397 1.00 0.00 C ATOM 483 CG ASP A 35 -11.057 -9.104 9.614 1.00 0.00 C ATOM 484 OD1 ASP A 35 -10.245 -8.906 10.541 1.00 0.00 O ATOM 485 OD2 ASP A 35 -11.003 -10.095 8.856 1.00 0.00 O ATOM 0 H ASP A 35 -12.122 -5.088 9.412 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.688 -6.684 8.715 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.484 -7.695 10.361 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -13.025 -8.587 8.953 1.00 0.00 H new ATOM 490 N ALA A 36 -11.714 -6.370 6.138 1.00 0.00 N ATOM 491 CA ALA A 36 -11.791 -6.632 4.706 1.00 0.00 C ATOM 492 C ALA A 36 -10.435 -7.057 4.153 1.00 0.00 C ATOM 493 O ALA A 36 -9.454 -7.147 4.889 1.00 0.00 O ATOM 494 CB ALA A 36 -12.301 -5.402 3.971 1.00 0.00 C ATOM 0 H ALA A 36 -11.569 -5.390 6.380 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.492 -7.452 4.548 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -12.353 -5.612 2.903 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -13.294 -5.144 4.339 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.622 -4.567 4.144 1.00 0.00 H new ATOM 500 N ASN A 37 -10.389 -7.318 2.850 1.00 0.00 N ATOM 501 CA ASN A 37 -9.153 -7.736 2.198 1.00 0.00 C ATOM 502 C ASN A 37 -8.870 -6.878 0.968 1.00 0.00 C ATOM 503 O ASN A 37 -9.292 -7.205 -0.141 1.00 0.00 O ATOM 504 CB ASN A 37 -9.236 -9.210 1.797 1.00 0.00 C ATOM 505 CG ASN A 37 -8.058 -9.645 0.947 1.00 0.00 C ATOM 506 OD1 ASN A 37 -8.211 -9.947 -0.237 1.00 0.00 O ATOM 507 ND2 ASN A 37 -6.875 -9.679 1.549 1.00 0.00 N ATOM 0 H ASN A 37 -11.193 -7.247 2.226 1.00 0.00 H new ATOM 0 HA ASN A 37 -8.335 -7.605 2.907 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -9.280 -9.826 2.695 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -10.161 -9.383 1.247 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.046 -9.964 1.028 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.796 -9.420 2.532 1.00 0.00 H new ATOM 514 N VAL A 38 -8.152 -5.778 1.173 1.00 0.00 N ATOM 515 CA VAL A 38 -7.811 -4.873 0.082 1.00 0.00 C ATOM 516 C VAL A 38 -6.612 -5.390 -0.705 1.00 0.00 C ATOM 517 O VAL A 38 -5.776 -6.122 -0.176 1.00 0.00 O ATOM 518 CB VAL A 38 -7.499 -3.458 0.603 1.00 0.00 C ATOM 519 CG1 VAL A 38 -8.561 -3.007 1.593 1.00 0.00 C ATOM 520 CG2 VAL A 38 -6.116 -3.417 1.236 1.00 0.00 C ATOM 0 H VAL A 38 -7.795 -5.492 2.085 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.680 -4.826 -0.574 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.508 -2.768 -0.241 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.323 -2.005 1.950 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.534 -2.996 1.103 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.588 -3.696 2.437 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.912 -2.410 1.599 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.077 -4.118 2.070 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.368 -3.694 0.493 1.00 0.00 H new ATOM 530 N LYS A 39 -6.533 -5.002 -1.974 1.00 0.00 N ATOM 531 CA LYS A 39 -5.435 -5.424 -2.836 1.00 0.00 C ATOM 532 C LYS A 39 -4.498 -4.257 -3.134 1.00 0.00 C ATOM 533 O LYS A 39 -4.878 -3.303 -3.812 1.00 0.00 O ATOM 534 CB LYS A 39 -5.979 -6.001 -4.144 1.00 0.00 C ATOM 535 CG LYS A 39 -6.569 -7.393 -3.996 1.00 0.00 C ATOM 536 CD LYS A 39 -6.957 -7.981 -5.342 1.00 0.00 C ATOM 537 CE LYS A 39 -7.875 -9.183 -5.181 1.00 0.00 C ATOM 538 NZ LYS A 39 -8.754 -9.373 -6.369 1.00 0.00 N ATOM 0 H LYS A 39 -7.216 -4.396 -2.428 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.871 -6.196 -2.312 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.744 -5.331 -4.536 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.175 -6.033 -4.880 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.845 -8.046 -3.508 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.446 -7.350 -3.350 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.454 -7.220 -5.943 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.059 -8.278 -5.883 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.275 -10.080 -5.026 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.491 -9.053 -4.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.364 -10.202 -6.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.345 -8.528 -6.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.167 -9.522 -7.215 1.00 0.00 H new ATOM 552 N TRP A 40 -3.275 -4.341 -2.623 1.00 0.00 N ATOM 553 CA TRP A 40 -2.285 -3.292 -2.837 1.00 0.00 C ATOM 554 C TRP A 40 -1.511 -3.529 -4.129 1.00 0.00 C ATOM 555 O TRP A 40 -1.006 -4.626 -4.369 1.00 0.00 O ATOM 556 CB TRP A 40 -1.318 -3.227 -1.653 1.00 0.00 C ATOM 557 CG TRP A 40 -1.996 -2.950 -0.346 1.00 0.00 C ATOM 558 CD1 TRP A 40 -2.677 -3.844 0.430 1.00 0.00 C ATOM 559 CD2 TRP A 40 -2.062 -1.692 0.335 1.00 0.00 C ATOM 560 NE1 TRP A 40 -3.161 -3.218 1.554 1.00 0.00 N ATOM 561 CE2 TRP A 40 -2.797 -1.898 1.519 1.00 0.00 C ATOM 562 CE3 TRP A 40 -1.570 -0.413 0.062 1.00 0.00 C ATOM 563 CZ2 TRP A 40 -3.050 -0.871 2.425 1.00 0.00 C ATOM 564 CZ3 TRP A 40 -1.823 0.604 0.962 1.00 0.00 C ATOM 565 CH2 TRP A 40 -2.557 0.371 2.132 1.00 0.00 C ATOM 0 H TRP A 40 -2.945 -5.124 -2.058 1.00 0.00 H new ATOM 0 HA TRP A 40 -2.811 -2.341 -2.921 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -0.779 -4.172 -1.581 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -0.577 -2.450 -1.841 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -2.815 -4.889 0.195 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.703 -3.664 2.294 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.002 -0.223 -0.837 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -3.616 -1.049 3.328 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -1.448 1.596 0.760 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -2.737 1.187 2.816 1.00 0.00 H new ATOM 576 N PHE A 41 -1.421 -2.494 -4.958 1.00 0.00 N ATOM 577 CA PHE A 41 -0.709 -2.591 -6.227 1.00 0.00 C ATOM 578 C PHE A 41 0.340 -1.489 -6.347 1.00 0.00 C ATOM 579 O PHE A 41 0.050 -0.313 -6.127 1.00 0.00 O ATOM 580 CB PHE A 41 -1.692 -2.504 -7.396 1.00 0.00 C ATOM 581 CG PHE A 41 -2.764 -3.555 -7.357 1.00 0.00 C ATOM 582 CD1 PHE A 41 -3.859 -3.417 -6.520 1.00 0.00 C ATOM 583 CD2 PHE A 41 -2.676 -4.682 -8.159 1.00 0.00 C ATOM 584 CE1 PHE A 41 -4.846 -4.384 -6.482 1.00 0.00 C ATOM 585 CE2 PHE A 41 -3.660 -5.652 -8.125 1.00 0.00 C ATOM 586 CZ PHE A 41 -4.747 -5.502 -7.287 1.00 0.00 C ATOM 0 H PHE A 41 -1.832 -1.579 -4.774 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.203 -3.556 -6.258 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.159 -1.519 -7.395 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.140 -2.594 -8.332 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.943 -2.544 -5.890 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -1.829 -4.804 -8.818 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -5.694 -4.265 -5.823 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.579 -6.527 -8.753 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.518 -6.257 -7.261 1.00 0.00 H new ATOM 596 N LYS A 42 1.561 -1.879 -6.697 1.00 0.00 N ATOM 597 CA LYS A 42 2.655 -0.926 -6.847 1.00 0.00 C ATOM 598 C LYS A 42 2.604 -0.251 -8.214 1.00 0.00 C ATOM 599 O LYS A 42 3.053 -0.814 -9.212 1.00 0.00 O ATOM 600 CB LYS A 42 4.001 -1.631 -6.665 1.00 0.00 C ATOM 601 CG LYS A 42 5.078 -0.741 -6.070 1.00 0.00 C ATOM 602 CD LYS A 42 6.470 -1.274 -6.367 1.00 0.00 C ATOM 603 CE LYS A 42 6.989 -0.765 -7.703 1.00 0.00 C ATOM 604 NZ LYS A 42 6.586 -1.652 -8.829 1.00 0.00 N ATOM 0 H LYS A 42 1.818 -2.849 -6.882 1.00 0.00 H new ATOM 0 HA LYS A 42 2.545 -0.161 -6.079 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.863 -2.500 -6.021 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.341 -2.002 -7.632 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.980 0.268 -6.472 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.937 -0.670 -4.991 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.153 -0.974 -5.572 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.449 -2.364 -6.375 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.610 0.242 -7.880 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.076 -0.695 -7.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 7.232 -1.510 -9.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.629 -2.645 -8.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.615 -1.422 -9.122 1.00 0.00 H new ATOM 618 N ASN A 43 2.056 0.959 -8.251 1.00 0.00 N ATOM 619 CA ASN A 43 1.948 1.711 -9.496 1.00 0.00 C ATOM 620 C ASN A 43 1.310 0.862 -10.591 1.00 0.00 C ATOM 621 O ASN A 43 1.543 1.085 -11.778 1.00 0.00 O ATOM 622 CB ASN A 43 3.329 2.192 -9.947 1.00 0.00 C ATOM 623 CG ASN A 43 4.189 1.063 -10.480 1.00 0.00 C ATOM 624 OD1 ASN A 43 3.773 0.315 -11.365 1.00 0.00 O ATOM 625 ND2 ASN A 43 5.396 0.933 -9.941 1.00 0.00 N ATOM 0 H ASN A 43 1.680 1.440 -7.434 1.00 0.00 H new ATOM 0 HA ASN A 43 1.311 2.576 -9.315 1.00 0.00 H new ATOM 0 HB2 ASN A 43 3.212 2.952 -10.720 1.00 0.00 H new ATOM 0 HB3 ASN A 43 3.837 2.667 -9.108 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.019 0.190 -10.259 1.00 0.00 H new ATOM 0 HD22 ASN A 43 5.700 1.576 -9.210 1.00 0.00 H new ATOM 632 N GLY A 44 0.504 -0.113 -10.182 1.00 0.00 N ATOM 633 CA GLY A 44 -0.156 -0.980 -11.140 1.00 0.00 C ATOM 634 C GLY A 44 0.263 -2.430 -10.995 1.00 0.00 C ATOM 635 O GLY A 44 -0.519 -3.339 -11.272 1.00 0.00 O ATOM 0 H GLY A 44 0.296 -0.318 -9.205 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.236 -0.903 -11.012 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.070 -0.639 -12.150 1.00 0.00 H new ATOM 639 N GLU A 45 1.500 -2.646 -10.559 1.00 0.00 N ATOM 640 CA GLU A 45 2.022 -3.996 -10.380 1.00 0.00 C ATOM 641 C GLU A 45 1.391 -4.665 -9.162 1.00 0.00 C ATOM 642 O GLU A 45 1.341 -4.084 -8.079 1.00 0.00 O ATOM 643 CB GLU A 45 3.544 -3.962 -10.226 1.00 0.00 C ATOM 644 CG GLU A 45 4.285 -3.805 -11.544 1.00 0.00 C ATOM 645 CD GLU A 45 5.767 -3.547 -11.352 1.00 0.00 C ATOM 646 OE1 GLU A 45 6.309 -3.951 -10.302 1.00 0.00 O ATOM 647 OE2 GLU A 45 6.385 -2.942 -12.253 1.00 0.00 O ATOM 0 H GLU A 45 2.159 -1.904 -10.323 1.00 0.00 H new ATOM 0 HA GLU A 45 1.767 -4.578 -11.266 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.816 -3.139 -9.566 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.873 -4.881 -9.741 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.151 -4.707 -12.142 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.846 -2.981 -12.107 1.00 0.00 H new ATOM 654 N GLU A 46 0.911 -5.890 -9.350 1.00 0.00 N ATOM 655 CA GLU A 46 0.283 -6.638 -8.267 1.00 0.00 C ATOM 656 C GLU A 46 1.323 -7.100 -7.250 1.00 0.00 C ATOM 657 O GLU A 46 2.223 -7.875 -7.576 1.00 0.00 O ATOM 658 CB GLU A 46 -0.474 -7.845 -8.824 1.00 0.00 C ATOM 659 CG GLU A 46 -1.081 -8.732 -7.749 1.00 0.00 C ATOM 660 CD GLU A 46 -1.777 -9.951 -8.322 1.00 0.00 C ATOM 661 OE1 GLU A 46 -2.979 -9.848 -8.649 1.00 0.00 O ATOM 662 OE2 GLU A 46 -1.122 -11.006 -8.444 1.00 0.00 O ATOM 0 H GLU A 46 0.945 -6.385 -10.241 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.422 -5.977 -7.764 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.267 -7.493 -9.483 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.206 -8.440 -9.433 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.297 -9.055 -7.064 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.795 -8.152 -7.165 1.00 0.00 H new ATOM 669 N ILE A 47 1.192 -6.619 -6.019 1.00 0.00 N ATOM 670 CA ILE A 47 2.119 -6.983 -4.954 1.00 0.00 C ATOM 671 C ILE A 47 1.716 -8.301 -4.301 1.00 0.00 C ATOM 672 O ILE A 47 0.540 -8.531 -4.018 1.00 0.00 O ATOM 673 CB ILE A 47 2.193 -5.889 -3.873 1.00 0.00 C ATOM 674 CG1 ILE A 47 2.715 -4.582 -4.474 1.00 0.00 C ATOM 675 CG2 ILE A 47 3.079 -6.340 -2.722 1.00 0.00 C ATOM 676 CD1 ILE A 47 2.827 -3.457 -3.469 1.00 0.00 C ATOM 0 H ILE A 47 0.453 -5.976 -5.734 1.00 0.00 H new ATOM 0 HA ILE A 47 3.101 -7.094 -5.415 1.00 0.00 H new ATOM 0 HB ILE A 47 1.189 -5.714 -3.486 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.695 -4.761 -4.917 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.051 -4.272 -5.281 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.121 -5.556 -1.966 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.668 -7.248 -2.280 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.084 -6.540 -3.093 1.00 0.00 H new ATOM 0 HD11 ILE A 47 3.203 -2.562 -3.965 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.845 -3.250 -3.043 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.514 -3.747 -2.674 1.00 0.00 H new ATOM 688 N ILE A 48 2.700 -9.162 -4.063 1.00 0.00 N ATOM 689 CA ILE A 48 2.448 -10.456 -3.440 1.00 0.00 C ATOM 690 C ILE A 48 3.258 -10.616 -2.159 1.00 0.00 C ATOM 691 O ILE A 48 4.419 -11.026 -2.176 1.00 0.00 O ATOM 692 CB ILE A 48 2.785 -11.616 -4.396 1.00 0.00 C ATOM 693 CG1 ILE A 48 1.977 -11.491 -5.689 1.00 0.00 C ATOM 694 CG2 ILE A 48 2.513 -12.953 -3.722 1.00 0.00 C ATOM 695 CD1 ILE A 48 2.641 -10.624 -6.735 1.00 0.00 C ATOM 0 H ILE A 48 3.678 -8.987 -4.292 1.00 0.00 H new ATOM 0 HA ILE A 48 1.385 -10.490 -3.201 1.00 0.00 H new ATOM 0 HB ILE A 48 3.845 -11.566 -4.646 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.814 -12.486 -6.104 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.996 -11.078 -5.456 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.756 -13.763 -4.410 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.128 -13.041 -2.826 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.460 -13.014 -3.447 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.012 -10.581 -7.624 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.780 -9.618 -6.339 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.611 -11.048 -6.997 1.00 0.00 H new ATOM 707 N PRO A 49 2.633 -10.287 -1.019 1.00 0.00 N ATOM 708 CA PRO A 49 3.277 -10.388 0.295 1.00 0.00 C ATOM 709 C PRO A 49 3.501 -11.835 0.720 1.00 0.00 C ATOM 710 O PRO A 49 3.139 -12.767 0.003 1.00 0.00 O ATOM 711 CB PRO A 49 2.279 -9.704 1.232 1.00 0.00 C ATOM 712 CG PRO A 49 0.962 -9.844 0.552 1.00 0.00 C ATOM 713 CD PRO A 49 1.250 -9.792 -0.923 1.00 0.00 C ATOM 0 HA PRO A 49 4.268 -9.933 0.300 1.00 0.00 H new ATOM 0 HB2 PRO A 49 2.270 -10.177 2.214 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.535 -8.656 1.386 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.481 -10.784 0.823 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.284 -9.043 0.846 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.559 -10.417 -1.489 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.158 -8.779 -1.315 1.00 0.00 H new ATOM 721 N GLY A 50 4.101 -12.016 1.893 1.00 0.00 N ATOM 722 CA GLY A 50 4.363 -13.353 2.394 1.00 0.00 C ATOM 723 C GLY A 50 5.437 -13.371 3.463 1.00 0.00 C ATOM 724 O GLY A 50 5.918 -12.329 3.909 1.00 0.00 O ATOM 0 H GLY A 50 4.410 -11.261 2.505 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.443 -13.772 2.801 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.667 -13.995 1.567 1.00 0.00 H new ATOM 775 N ARG A 54 8.719 -8.953 0.573 1.00 0.00 N ATOM 776 CA ARG A 54 9.200 -7.706 1.156 1.00 0.00 C ATOM 777 C ARG A 54 8.034 -6.840 1.624 1.00 0.00 C ATOM 778 O ARG A 54 8.166 -6.061 2.568 1.00 0.00 O ATOM 779 CB ARG A 54 10.046 -6.936 0.140 1.00 0.00 C ATOM 780 CG ARG A 54 9.446 -6.909 -1.256 1.00 0.00 C ATOM 781 CD ARG A 54 9.978 -8.048 -2.113 1.00 0.00 C ATOM 782 NE ARG A 54 9.973 -7.711 -3.534 1.00 0.00 N ATOM 783 CZ ARG A 54 10.555 -8.457 -4.467 1.00 0.00 C ATOM 784 NH1 ARG A 54 11.184 -9.574 -4.131 1.00 0.00 N ATOM 785 NH2 ARG A 54 10.508 -8.084 -5.740 1.00 0.00 N ATOM 0 HA ARG A 54 9.817 -7.952 2.020 1.00 0.00 H new ATOM 0 HB2 ARG A 54 10.176 -5.912 0.490 1.00 0.00 H new ATOM 0 HB3 ARG A 54 11.038 -7.385 0.091 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.360 -6.980 -1.188 1.00 0.00 H new ATOM 0 HG3 ARG A 54 9.674 -5.956 -1.733 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.994 -8.292 -1.802 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.372 -8.939 -1.949 1.00 0.00 H new ATOM 0 HE ARG A 54 9.497 -6.857 -3.826 1.00 0.00 H new ATOM 0 HH11 ARG A 54 11.222 -9.863 -3.154 1.00 0.00 H new ATOM 0 HH12 ARG A 54 11.630 -10.144 -4.850 1.00 0.00 H new ATOM 0 HH21 ARG A 54 10.025 -7.225 -6.002 1.00 0.00 H new ATOM 0 HH22 ARG A 54 10.955 -8.657 -6.456 1.00 0.00 H new ATOM 799 N TYR A 55 6.894 -6.982 0.957 1.00 0.00 N ATOM 800 CA TYR A 55 5.705 -6.210 1.302 1.00 0.00 C ATOM 801 C TYR A 55 4.814 -6.986 2.267 1.00 0.00 C ATOM 802 O TYR A 55 4.566 -8.177 2.079 1.00 0.00 O ATOM 803 CB TYR A 55 4.920 -5.852 0.040 1.00 0.00 C ATOM 804 CG TYR A 55 5.643 -4.885 -0.870 1.00 0.00 C ATOM 805 CD1 TYR A 55 5.610 -3.517 -0.628 1.00 0.00 C ATOM 806 CD2 TYR A 55 6.359 -5.338 -1.971 1.00 0.00 C ATOM 807 CE1 TYR A 55 6.269 -2.629 -1.457 1.00 0.00 C ATOM 808 CE2 TYR A 55 7.022 -4.458 -2.804 1.00 0.00 C ATOM 809 CZ TYR A 55 6.974 -3.105 -2.543 1.00 0.00 C ATOM 810 OH TYR A 55 7.632 -2.225 -3.371 1.00 0.00 O ATOM 0 H TYR A 55 6.768 -7.624 0.175 1.00 0.00 H new ATOM 0 HA TYR A 55 6.028 -5.292 1.793 1.00 0.00 H new ATOM 0 HB2 TYR A 55 4.703 -6.765 -0.514 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.962 -5.419 0.329 1.00 0.00 H new ATOM 0 HD1 TYR A 55 5.060 -3.141 0.222 1.00 0.00 H new ATOM 0 HD2 TYR A 55 6.398 -6.397 -2.179 1.00 0.00 H new ATOM 0 HE1 TYR A 55 6.232 -1.569 -1.256 1.00 0.00 H new ATOM 0 HE2 TYR A 55 7.575 -4.828 -3.655 1.00 0.00 H new ATOM 0 HH TYR A 55 7.334 -1.311 -3.180 1.00 0.00 H new ATOM 820 N ARG A 56 4.333 -6.300 3.299 1.00 0.00 N ATOM 821 CA ARG A 56 3.469 -6.924 4.294 1.00 0.00 C ATOM 822 C ARG A 56 2.148 -6.170 4.415 1.00 0.00 C ATOM 823 O ARG A 56 2.129 -4.971 4.695 1.00 0.00 O ATOM 824 CB ARG A 56 4.170 -6.968 5.653 1.00 0.00 C ATOM 825 CG ARG A 56 5.550 -7.602 5.607 1.00 0.00 C ATOM 826 CD ARG A 56 6.633 -6.563 5.361 1.00 0.00 C ATOM 827 NE ARG A 56 7.917 -7.177 5.034 1.00 0.00 N ATOM 828 CZ ARG A 56 8.765 -7.637 5.946 1.00 0.00 C ATOM 829 NH1 ARG A 56 8.467 -7.554 7.235 1.00 0.00 N ATOM 830 NH2 ARG A 56 9.915 -8.183 5.570 1.00 0.00 N ATOM 0 H ARG A 56 4.527 -5.313 3.468 1.00 0.00 H new ATOM 0 HA ARG A 56 3.258 -7.943 3.969 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.259 -5.953 6.039 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.548 -7.523 6.355 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.746 -8.118 6.547 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.580 -8.354 4.818 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.327 -5.907 4.546 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.745 -5.939 6.248 1.00 0.00 H new ATOM 0 HE ARG A 56 8.177 -7.257 4.051 1.00 0.00 H new ATOM 0 HH11 ARG A 56 7.584 -7.136 7.528 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.121 -7.908 7.933 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.148 -8.250 4.579 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.566 -8.536 6.272 1.00 0.00 H new ATOM 844 N ILE A 57 1.046 -6.881 4.203 1.00 0.00 N ATOM 845 CA ILE A 57 -0.279 -6.280 4.290 1.00 0.00 C ATOM 846 C ILE A 57 -1.008 -6.732 5.551 1.00 0.00 C ATOM 847 O ILE A 57 -1.444 -7.879 5.650 1.00 0.00 O ATOM 848 CB ILE A 57 -1.138 -6.631 3.060 1.00 0.00 C ATOM 849 CG1 ILE A 57 -0.455 -6.150 1.779 1.00 0.00 C ATOM 850 CG2 ILE A 57 -2.524 -6.018 3.190 1.00 0.00 C ATOM 851 CD1 ILE A 57 -0.840 -6.947 0.552 1.00 0.00 C ATOM 0 H ILE A 57 1.044 -7.874 3.970 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.133 -5.200 4.326 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.244 -7.714 3.007 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.706 -5.102 1.615 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.626 -6.202 1.912 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.119 -6.275 2.314 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.011 -6.405 4.085 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.437 -4.934 3.265 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.318 -6.550 -0.318 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -0.564 -7.992 0.695 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.916 -6.874 0.394 1.00 0.00 H new ATOM 863 N ARG A 58 -1.136 -5.823 6.511 1.00 0.00 N ATOM 864 CA ARG A 58 -1.813 -6.128 7.766 1.00 0.00 C ATOM 865 C ARG A 58 -3.133 -5.370 7.871 1.00 0.00 C ATOM 866 O ARG A 58 -3.221 -4.202 7.493 1.00 0.00 O ATOM 867 CB ARG A 58 -0.914 -5.776 8.953 1.00 0.00 C ATOM 868 CG ARG A 58 -1.622 -5.851 10.296 1.00 0.00 C ATOM 869 CD ARG A 58 -0.848 -5.110 11.376 1.00 0.00 C ATOM 870 NE ARG A 58 0.121 -5.973 12.045 1.00 0.00 N ATOM 871 CZ ARG A 58 1.338 -6.217 11.571 1.00 0.00 C ATOM 872 NH1 ARG A 58 1.732 -5.665 10.431 1.00 0.00 N ATOM 873 NH2 ARG A 58 2.164 -7.014 12.237 1.00 0.00 N ATOM 0 H ARG A 58 -0.780 -4.869 6.444 1.00 0.00 H new ATOM 0 HA ARG A 58 -2.026 -7.197 7.784 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -0.059 -6.453 8.964 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -0.521 -4.769 8.814 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.621 -5.425 10.206 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.745 -6.894 10.586 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -0.330 -4.260 10.932 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -1.546 -4.710 12.112 1.00 0.00 H new ATOM 0 HE ARG A 58 -0.151 -6.413 12.924 1.00 0.00 H new ATOM 0 HH11 ARG A 58 1.100 -5.052 9.916 1.00 0.00 H new ATOM 0 HH12 ARG A 58 2.667 -5.854 10.069 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.865 -7.440 13.114 1.00 0.00 H new ATOM 0 HH22 ARG A 58 3.098 -7.200 11.872 1.00 0.00 H new ATOM 887 N VAL A 59 -4.156 -6.043 8.387 1.00 0.00 N ATOM 888 CA VAL A 59 -5.472 -5.433 8.542 1.00 0.00 C ATOM 889 C VAL A 59 -5.841 -5.291 10.014 1.00 0.00 C ATOM 890 O VAL A 59 -5.882 -6.275 10.751 1.00 0.00 O ATOM 891 CB VAL A 59 -6.560 -6.257 7.828 1.00 0.00 C ATOM 892 CG1 VAL A 59 -6.591 -7.680 8.364 1.00 0.00 C ATOM 893 CG2 VAL A 59 -7.919 -5.590 7.982 1.00 0.00 C ATOM 0 H VAL A 59 -4.099 -7.011 8.705 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.419 -4.444 8.087 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.320 -6.301 6.766 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -7.366 -8.247 7.848 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.623 -8.153 8.197 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.806 -7.662 9.432 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.676 -6.185 7.472 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -8.169 -5.514 9.040 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.886 -4.592 7.545 1.00 0.00 H new ATOM 903 N GLU A 60 -6.110 -4.059 10.435 1.00 0.00 N ATOM 904 CA GLU A 60 -6.476 -3.788 11.820 1.00 0.00 C ATOM 905 C GLU A 60 -7.869 -3.169 11.904 1.00 0.00 C ATOM 906 O GLU A 60 -8.061 -2.000 11.571 1.00 0.00 O ATOM 907 CB GLU A 60 -5.452 -2.856 12.469 1.00 0.00 C ATOM 908 CG GLU A 60 -4.297 -3.588 13.132 1.00 0.00 C ATOM 909 CD GLU A 60 -3.702 -2.811 14.291 1.00 0.00 C ATOM 910 OE1 GLU A 60 -3.580 -1.574 14.174 1.00 0.00 O ATOM 911 OE2 GLU A 60 -3.359 -3.440 15.313 1.00 0.00 O ATOM 0 H GLU A 60 -6.081 -3.233 9.837 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.485 -4.736 12.358 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.056 -2.181 11.711 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.955 -2.239 13.213 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.644 -4.558 13.489 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.521 -3.780 12.392 1.00 0.00 H new ATOM 918 N GLY A 61 -8.837 -3.963 12.351 1.00 0.00 N ATOM 919 CA GLY A 61 -10.199 -3.476 12.469 1.00 0.00 C ATOM 920 C GLY A 61 -10.796 -3.090 11.131 1.00 0.00 C ATOM 921 O GLY A 61 -11.137 -3.953 10.322 1.00 0.00 O ATOM 0 H GLY A 61 -8.703 -4.934 12.633 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -10.818 -4.246 12.931 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -10.216 -2.612 13.133 1.00 0.00 H new ATOM 925 N LYS A 62 -10.925 -1.789 10.895 1.00 0.00 N ATOM 926 CA LYS A 62 -11.486 -1.289 9.646 1.00 0.00 C ATOM 927 C LYS A 62 -10.456 -0.466 8.878 1.00 0.00 C ATOM 928 O LYS A 62 -10.804 0.311 7.989 1.00 0.00 O ATOM 929 CB LYS A 62 -12.728 -0.439 9.924 1.00 0.00 C ATOM 930 CG LYS A 62 -13.703 -1.086 10.892 1.00 0.00 C ATOM 931 CD LYS A 62 -14.874 -0.168 11.200 1.00 0.00 C ATOM 932 CE LYS A 62 -15.959 -0.272 10.140 1.00 0.00 C ATOM 933 NZ LYS A 62 -17.304 0.055 10.688 1.00 0.00 N ATOM 0 H LYS A 62 -10.648 -1.061 11.554 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.769 -2.146 9.036 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -12.416 0.525 10.326 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -13.241 -0.241 8.983 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -14.073 -2.019 10.468 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -13.185 -1.339 11.817 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -15.291 -0.423 12.174 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -14.523 0.862 11.263 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -15.728 0.404 9.317 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -15.970 -1.282 9.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -18.016 -0.028 9.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -17.536 -0.606 11.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -17.302 1.027 11.057 1.00 0.00 H new ATOM 947 N LYS A 63 -9.186 -0.644 9.226 1.00 0.00 N ATOM 948 CA LYS A 63 -8.104 0.079 8.568 1.00 0.00 C ATOM 949 C LYS A 63 -6.937 -0.853 8.257 1.00 0.00 C ATOM 950 O LYS A 63 -6.581 -1.710 9.066 1.00 0.00 O ATOM 951 CB LYS A 63 -7.625 1.235 9.450 1.00 0.00 C ATOM 952 CG LYS A 63 -6.506 0.851 10.402 1.00 0.00 C ATOM 953 CD LYS A 63 -6.550 1.677 11.677 1.00 0.00 C ATOM 954 CE LYS A 63 -7.621 1.172 12.631 1.00 0.00 C ATOM 955 NZ LYS A 63 -7.694 1.996 13.869 1.00 0.00 N ATOM 0 H LYS A 63 -8.881 -1.283 9.960 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.487 0.480 7.629 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.284 2.050 8.812 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.468 1.614 10.028 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.585 -0.207 10.650 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.544 0.991 9.909 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.578 1.642 12.168 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.744 2.721 11.429 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.589 1.183 12.130 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.412 0.136 12.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.436 1.620 14.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.778 1.965 14.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.919 2.980 13.618 1.00 0.00 H new ATOM 969 N HIS A 64 -6.345 -0.679 7.079 1.00 0.00 N ATOM 970 CA HIS A 64 -5.216 -1.503 6.662 1.00 0.00 C ATOM 971 C HIS A 64 -3.907 -0.726 6.767 1.00 0.00 C ATOM 972 O HIS A 64 -3.909 0.503 6.846 1.00 0.00 O ATOM 973 CB HIS A 64 -5.418 -1.994 5.228 1.00 0.00 C ATOM 974 CG HIS A 64 -6.556 -2.957 5.079 1.00 0.00 C ATOM 975 ND1 HIS A 64 -6.404 -4.225 4.558 1.00 0.00 N ATOM 976 CD2 HIS A 64 -7.867 -2.833 5.388 1.00 0.00 C ATOM 977 CE1 HIS A 64 -7.575 -4.838 4.552 1.00 0.00 C ATOM 978 NE2 HIS A 64 -8.479 -4.015 5.051 1.00 0.00 N ATOM 0 H HIS A 64 -6.628 0.025 6.397 1.00 0.00 H new ATOM 0 HA HIS A 64 -5.161 -2.364 7.328 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -5.592 -1.135 4.580 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.501 -2.472 4.884 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -8.344 -1.965 5.820 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -7.761 -5.842 4.199 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -9.471 -4.223 5.167 1.00 0.00 H new ATOM 987 N ILE A 65 -2.793 -1.450 6.766 1.00 0.00 N ATOM 988 CA ILE A 65 -1.478 -0.828 6.861 1.00 0.00 C ATOM 989 C ILE A 65 -0.451 -1.585 6.026 1.00 0.00 C ATOM 990 O ILE A 65 -0.109 -2.728 6.329 1.00 0.00 O ATOM 991 CB ILE A 65 -0.990 -0.764 8.320 1.00 0.00 C ATOM 992 CG1 ILE A 65 -1.944 0.085 9.163 1.00 0.00 C ATOM 993 CG2 ILE A 65 0.423 -0.202 8.381 1.00 0.00 C ATOM 994 CD1 ILE A 65 -3.060 -0.712 9.799 1.00 0.00 C ATOM 0 H ILE A 65 -2.775 -2.468 6.700 1.00 0.00 H new ATOM 0 HA ILE A 65 -1.580 0.187 6.476 1.00 0.00 H new ATOM 0 HB ILE A 65 -0.976 -1.775 8.728 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.375 0.587 9.946 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -2.377 0.863 8.534 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.754 -0.163 9.419 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.094 -0.843 7.810 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.434 0.803 7.959 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.697 -0.046 10.381 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.653 -1.193 9.021 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.636 -1.473 10.454 1.00 0.00 H new ATOM 1006 N LEU A 66 0.038 -0.939 4.973 1.00 0.00 N ATOM 1007 CA LEU A 66 1.029 -1.550 4.094 1.00 0.00 C ATOM 1008 C LEU A 66 2.436 -1.080 4.449 1.00 0.00 C ATOM 1009 O LEU A 66 2.806 0.063 4.179 1.00 0.00 O ATOM 1010 CB LEU A 66 0.721 -1.213 2.634 1.00 0.00 C ATOM 1011 CG LEU A 66 1.688 -1.782 1.595 1.00 0.00 C ATOM 1012 CD1 LEU A 66 1.397 -3.254 1.344 1.00 0.00 C ATOM 1013 CD2 LEU A 66 1.603 -0.991 0.298 1.00 0.00 C ATOM 0 H LEU A 66 -0.235 0.007 4.707 1.00 0.00 H new ATOM 0 HA LEU A 66 0.981 -2.630 4.230 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.282 -1.572 2.403 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.703 -0.128 2.528 1.00 0.00 H new ATOM 0 HG LEU A 66 2.702 -1.695 1.985 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.095 -3.641 0.602 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.510 -3.811 2.274 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.377 -3.366 0.976 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.298 -1.410 -0.430 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.588 -1.046 -0.096 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.862 0.050 0.489 1.00 0.00 H new ATOM 1025 N ILE A 67 3.216 -1.969 5.055 1.00 0.00 N ATOM 1026 CA ILE A 67 4.583 -1.646 5.444 1.00 0.00 C ATOM 1027 C ILE A 67 5.582 -2.134 4.400 1.00 0.00 C ATOM 1028 O ILE A 67 5.355 -3.144 3.734 1.00 0.00 O ATOM 1029 CB ILE A 67 4.941 -2.265 6.808 1.00 0.00 C ATOM 1030 CG1 ILE A 67 6.277 -1.712 7.309 1.00 0.00 C ATOM 1031 CG2 ILE A 67 4.995 -3.782 6.704 1.00 0.00 C ATOM 1032 CD1 ILE A 67 7.479 -2.335 6.635 1.00 0.00 C ATOM 0 H ILE A 67 2.924 -2.918 5.287 1.00 0.00 H new ATOM 0 HA ILE A 67 4.641 -0.560 5.520 1.00 0.00 H new ATOM 0 HB ILE A 67 4.166 -1.997 7.526 1.00 0.00 H new ATOM 0 HG12 ILE A 67 6.298 -0.634 7.148 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.348 -1.875 8.384 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.249 -4.205 7.676 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.023 -4.160 6.387 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.752 -4.070 5.974 1.00 0.00 H new ATOM 0 HD11 ILE A 67 8.391 -1.896 7.039 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.482 -3.410 6.817 1.00 0.00 H new ATOM 0 HD13 ILE A 67 7.431 -2.149 5.562 1.00 0.00 H new ATOM 1044 N ILE A 68 6.688 -1.410 4.264 1.00 0.00 N ATOM 1045 CA ILE A 68 7.722 -1.771 3.303 1.00 0.00 C ATOM 1046 C ILE A 68 9.107 -1.719 3.940 1.00 0.00 C ATOM 1047 O ILE A 68 9.651 -0.641 4.178 1.00 0.00 O ATOM 1048 CB ILE A 68 7.699 -0.841 2.075 1.00 0.00 C ATOM 1049 CG1 ILE A 68 6.264 -0.650 1.579 1.00 0.00 C ATOM 1050 CG2 ILE A 68 8.578 -1.404 0.968 1.00 0.00 C ATOM 1051 CD1 ILE A 68 6.115 0.475 0.580 1.00 0.00 C ATOM 0 H ILE A 68 6.891 -0.571 4.807 1.00 0.00 H new ATOM 0 HA ILE A 68 7.511 -2.791 2.981 1.00 0.00 H new ATOM 0 HB ILE A 68 8.095 0.132 2.367 1.00 0.00 H new ATOM 0 HG12 ILE A 68 5.919 -1.578 1.123 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.616 -0.455 2.433 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.552 -0.736 0.107 1.00 0.00 H new ATOM 0 HG22 ILE A 68 9.603 -1.493 1.327 1.00 0.00 H new ATOM 0 HG23 ILE A 68 8.210 -2.387 0.676 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.072 0.552 0.272 1.00 0.00 H new ATOM 0 HD12 ILE A 68 6.429 1.413 1.039 1.00 0.00 H new ATOM 0 HD13 ILE A 68 6.737 0.272 -0.292 1.00 0.00 H new ATOM 1063 N GLU A 69 9.671 -2.891 4.212 1.00 0.00 N ATOM 1064 CA GLU A 69 10.994 -2.978 4.821 1.00 0.00 C ATOM 1065 C GLU A 69 12.086 -2.706 3.791 1.00 0.00 C ATOM 1066 O GLU A 69 12.418 -3.569 2.980 1.00 0.00 O ATOM 1067 CB GLU A 69 11.201 -4.359 5.448 1.00 0.00 C ATOM 1068 CG GLU A 69 10.755 -4.442 6.898 1.00 0.00 C ATOM 1069 CD GLU A 69 10.906 -5.835 7.476 1.00 0.00 C ATOM 1070 OE1 GLU A 69 11.739 -6.606 6.957 1.00 0.00 O ATOM 1071 OE2 GLU A 69 10.189 -6.155 8.448 1.00 0.00 O ATOM 0 H GLU A 69 9.234 -3.793 4.021 1.00 0.00 H new ATOM 0 HA GLU A 69 11.058 -2.219 5.601 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.653 -5.099 4.865 1.00 0.00 H new ATOM 0 HB3 GLU A 69 12.257 -4.622 5.386 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.338 -3.740 7.494 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.712 -4.133 6.972 1.00 0.00 H new ATOM 1078 N GLY A 70 12.641 -1.498 3.830 1.00 0.00 N ATOM 1079 CA GLY A 70 13.689 -1.133 2.895 1.00 0.00 C ATOM 1080 C GLY A 70 13.155 -0.386 1.689 1.00 0.00 C ATOM 1081 O GLY A 70 13.126 -0.923 0.582 1.00 0.00 O ATOM 0 H GLY A 70 12.383 -0.766 4.492 1.00 0.00 H new ATOM 0 HA2 GLY A 70 14.427 -0.514 3.405 1.00 0.00 H new ATOM 0 HA3 GLY A 70 14.204 -2.034 2.562 1.00 0.00 H new ATOM 1085 N ALA A 71 12.732 0.855 1.903 1.00 0.00 N ATOM 1086 CA ALA A 71 12.197 1.677 0.824 1.00 0.00 C ATOM 1087 C ALA A 71 13.319 2.282 -0.012 1.00 0.00 C ATOM 1088 O ALA A 71 13.866 3.331 0.329 1.00 0.00 O ATOM 1089 CB ALA A 71 11.306 2.773 1.388 1.00 0.00 C ATOM 0 H ALA A 71 12.749 1.314 2.814 1.00 0.00 H new ATOM 0 HA ALA A 71 11.600 1.037 0.174 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.913 3.379 0.571 1.00 0.00 H new ATOM 0 HB2 ALA A 71 10.478 2.323 1.936 1.00 0.00 H new ATOM 0 HB3 ALA A 71 11.887 3.404 2.061 1.00 0.00 H new ATOM 1095 N THR A 72 13.659 1.614 -1.110 1.00 0.00 N ATOM 1096 CA THR A 72 14.717 2.085 -1.995 1.00 0.00 C ATOM 1097 C THR A 72 14.174 3.067 -3.027 1.00 0.00 C ATOM 1098 O THR A 72 12.962 3.232 -3.165 1.00 0.00 O ATOM 1099 CB THR A 72 15.400 0.914 -2.727 1.00 0.00 C ATOM 1100 OG1 THR A 72 15.411 -0.247 -1.889 1.00 0.00 O ATOM 1101 CG2 THR A 72 16.825 1.278 -3.117 1.00 0.00 C ATOM 0 H THR A 72 13.217 0.745 -1.408 1.00 0.00 H new ATOM 0 HA THR A 72 15.452 2.590 -1.368 1.00 0.00 H new ATOM 0 HB THR A 72 14.835 0.701 -3.634 1.00 0.00 H new ATOM 0 HG1 THR A 72 14.531 -0.678 -1.915 1.00 0.00 H new ATOM 0 HG21 THR A 72 17.287 0.436 -3.632 1.00 0.00 H new ATOM 0 HG22 THR A 72 16.811 2.145 -3.778 1.00 0.00 H new ATOM 0 HG23 THR A 72 17.399 1.514 -2.221 1.00 0.00 H new ATOM 1109 N LYS A 73 15.079 3.717 -3.751 1.00 0.00 N ATOM 1110 CA LYS A 73 14.692 4.683 -4.773 1.00 0.00 C ATOM 1111 C LYS A 73 13.679 4.076 -5.738 1.00 0.00 C ATOM 1112 O LYS A 73 12.626 4.659 -5.996 1.00 0.00 O ATOM 1113 CB LYS A 73 15.924 5.162 -5.544 1.00 0.00 C ATOM 1114 CG LYS A 73 16.583 6.388 -4.936 1.00 0.00 C ATOM 1115 CD LYS A 73 15.964 7.672 -5.463 1.00 0.00 C ATOM 1116 CE LYS A 73 16.208 8.837 -4.517 1.00 0.00 C ATOM 1117 NZ LYS A 73 15.669 10.115 -5.059 1.00 0.00 N ATOM 0 H LYS A 73 16.086 3.592 -3.649 1.00 0.00 H new ATOM 0 HA LYS A 73 14.229 5.535 -4.276 1.00 0.00 H new ATOM 0 HB2 LYS A 73 16.652 4.352 -5.588 1.00 0.00 H new ATOM 0 HB3 LYS A 73 15.635 5.387 -6.571 1.00 0.00 H new ATOM 0 HG2 LYS A 73 16.485 6.354 -3.851 1.00 0.00 H new ATOM 0 HG3 LYS A 73 17.650 6.378 -5.161 1.00 0.00 H new ATOM 0 HD2 LYS A 73 16.382 7.904 -6.443 1.00 0.00 H new ATOM 0 HD3 LYS A 73 14.892 7.531 -5.599 1.00 0.00 H new ATOM 0 HE2 LYS A 73 15.743 8.626 -3.554 1.00 0.00 H new ATOM 0 HE3 LYS A 73 17.278 8.941 -4.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 16.357 10.878 -4.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 15.496 10.014 -6.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 14.777 10.347 -4.578 1.00 0.00 H new ATOM 1131 N ALA A 74 14.003 2.901 -6.268 1.00 0.00 N ATOM 1132 CA ALA A 74 13.120 2.214 -7.202 1.00 0.00 C ATOM 1133 C ALA A 74 11.723 2.045 -6.614 1.00 0.00 C ATOM 1134 O ALA A 74 10.723 2.322 -7.276 1.00 0.00 O ATOM 1135 CB ALA A 74 13.703 0.860 -7.581 1.00 0.00 C ATOM 0 H ALA A 74 14.871 2.405 -6.066 1.00 0.00 H new ATOM 0 HA ALA A 74 13.036 2.825 -8.100 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.033 0.358 -8.279 1.00 0.00 H new ATOM 0 HB2 ALA A 74 14.676 1.002 -8.050 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.817 0.250 -6.685 1.00 0.00 H new ATOM 1141 N ASP A 75 11.663 1.589 -5.368 1.00 0.00 N ATOM 1142 CA ASP A 75 10.388 1.384 -4.690 1.00 0.00 C ATOM 1143 C ASP A 75 9.492 2.611 -4.834 1.00 0.00 C ATOM 1144 O ASP A 75 8.271 2.492 -4.930 1.00 0.00 O ATOM 1145 CB ASP A 75 10.617 1.075 -3.210 1.00 0.00 C ATOM 1146 CG ASP A 75 11.337 -0.242 -2.998 1.00 0.00 C ATOM 1147 OD1 ASP A 75 10.668 -1.295 -3.027 1.00 0.00 O ATOM 1148 OD2 ASP A 75 12.571 -0.219 -2.802 1.00 0.00 O ATOM 0 H ASP A 75 12.482 1.354 -4.807 1.00 0.00 H new ATOM 0 HA ASP A 75 9.889 0.535 -5.157 1.00 0.00 H new ATOM 0 HB2 ASP A 75 11.198 1.880 -2.760 1.00 0.00 H new ATOM 0 HB3 ASP A 75 9.657 1.048 -2.695 1.00 0.00 H new ATOM 1153 N ALA A 76 10.108 3.789 -4.847 1.00 0.00 N ATOM 1154 CA ALA A 76 9.367 5.037 -4.979 1.00 0.00 C ATOM 1155 C ALA A 76 8.401 4.979 -6.158 1.00 0.00 C ATOM 1156 O ALA A 76 8.754 5.342 -7.280 1.00 0.00 O ATOM 1157 CB ALA A 76 10.327 6.206 -5.138 1.00 0.00 C ATOM 0 H ALA A 76 11.118 3.905 -4.768 1.00 0.00 H new ATOM 0 HA ALA A 76 8.782 5.182 -4.071 1.00 0.00 H new ATOM 0 HB1 ALA A 76 9.760 7.132 -5.236 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.974 6.267 -4.263 1.00 0.00 H new ATOM 0 HB3 ALA A 76 10.936 6.058 -6.030 1.00 0.00 H new ATOM 1163 N ALA A 77 7.182 4.520 -5.896 1.00 0.00 N ATOM 1164 CA ALA A 77 6.165 4.416 -6.935 1.00 0.00 C ATOM 1165 C ALA A 77 4.779 4.724 -6.379 1.00 0.00 C ATOM 1166 O ALA A 77 4.591 4.806 -5.166 1.00 0.00 O ATOM 1167 CB ALA A 77 6.189 3.029 -7.560 1.00 0.00 C ATOM 0 H ALA A 77 6.875 4.214 -4.973 1.00 0.00 H new ATOM 0 HA ALA A 77 6.391 5.153 -7.705 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.424 2.966 -8.334 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.169 2.846 -8.002 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.991 2.281 -6.793 1.00 0.00 H new ATOM 1173 N GLU A 78 3.811 4.893 -7.275 1.00 0.00 N ATOM 1174 CA GLU A 78 2.442 5.193 -6.872 1.00 0.00 C ATOM 1175 C GLU A 78 1.732 3.936 -6.378 1.00 0.00 C ATOM 1176 O GLU A 78 1.327 3.086 -7.172 1.00 0.00 O ATOM 1177 CB GLU A 78 1.666 5.805 -8.040 1.00 0.00 C ATOM 1178 CG GLU A 78 0.230 6.163 -7.695 1.00 0.00 C ATOM 1179 CD GLU A 78 -0.411 7.067 -8.731 1.00 0.00 C ATOM 1180 OE1 GLU A 78 -0.780 6.561 -9.812 1.00 0.00 O ATOM 1181 OE2 GLU A 78 -0.543 8.279 -8.462 1.00 0.00 O ATOM 0 H GLU A 78 3.949 4.827 -8.283 1.00 0.00 H new ATOM 0 HA GLU A 78 2.481 5.912 -6.054 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.184 6.702 -8.379 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.666 5.103 -8.873 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.356 5.249 -7.603 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.206 6.656 -6.723 1.00 0.00 H new ATOM 1188 N TYR A 79 1.586 3.825 -5.063 1.00 0.00 N ATOM 1189 CA TYR A 79 0.928 2.671 -4.462 1.00 0.00 C ATOM 1190 C TYR A 79 -0.583 2.875 -4.401 1.00 0.00 C ATOM 1191 O TYR A 79 -1.073 3.763 -3.702 1.00 0.00 O ATOM 1192 CB TYR A 79 1.477 2.418 -3.057 1.00 0.00 C ATOM 1193 CG TYR A 79 2.912 1.944 -3.043 1.00 0.00 C ATOM 1194 CD1 TYR A 79 3.962 2.838 -3.215 1.00 0.00 C ATOM 1195 CD2 TYR A 79 3.219 0.601 -2.861 1.00 0.00 C ATOM 1196 CE1 TYR A 79 5.275 2.409 -3.204 1.00 0.00 C ATOM 1197 CE2 TYR A 79 4.529 0.163 -2.847 1.00 0.00 C ATOM 1198 CZ TYR A 79 5.553 1.071 -3.020 1.00 0.00 C ATOM 1199 OH TYR A 79 6.859 0.638 -3.008 1.00 0.00 O ATOM 0 H TYR A 79 1.914 4.520 -4.392 1.00 0.00 H new ATOM 0 HA TYR A 79 1.134 1.802 -5.087 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.401 3.337 -2.476 1.00 0.00 H new ATOM 0 HB3 TYR A 79 0.853 1.675 -2.561 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.748 3.887 -3.360 1.00 0.00 H new ATOM 0 HD2 TYR A 79 2.419 -0.113 -2.728 1.00 0.00 H new ATOM 0 HE1 TYR A 79 6.079 3.117 -3.339 1.00 0.00 H new ATOM 0 HE2 TYR A 79 4.750 -0.884 -2.701 1.00 0.00 H new ATOM 0 HH TYR A 79 7.395 1.199 -3.607 1.00 0.00 H new ATOM 1209 N SER A 80 -1.316 2.047 -5.138 1.00 0.00 N ATOM 1210 CA SER A 80 -2.771 2.137 -5.171 1.00 0.00 C ATOM 1211 C SER A 80 -3.408 0.827 -4.718 1.00 0.00 C ATOM 1212 O SER A 80 -2.943 -0.257 -5.070 1.00 0.00 O ATOM 1213 CB SER A 80 -3.249 2.489 -6.581 1.00 0.00 C ATOM 1214 OG SER A 80 -2.829 3.790 -6.952 1.00 0.00 O ATOM 0 H SER A 80 -0.926 1.306 -5.720 1.00 0.00 H new ATOM 0 HA SER A 80 -3.077 2.925 -4.483 1.00 0.00 H new ATOM 0 HB2 SER A 80 -2.860 1.761 -7.293 1.00 0.00 H new ATOM 0 HB3 SER A 80 -4.336 2.428 -6.626 1.00 0.00 H new ATOM 0 HG SER A 80 -3.146 3.990 -7.858 1.00 0.00 H new ATOM 1220 N VAL A 81 -4.475 0.935 -3.933 1.00 0.00 N ATOM 1221 CA VAL A 81 -5.177 -0.240 -3.431 1.00 0.00 C ATOM 1222 C VAL A 81 -6.445 -0.508 -4.235 1.00 0.00 C ATOM 1223 O VAL A 81 -6.924 0.360 -4.964 1.00 0.00 O ATOM 1224 CB VAL A 81 -5.549 -0.080 -1.945 1.00 0.00 C ATOM 1225 CG1 VAL A 81 -4.427 0.610 -1.185 1.00 0.00 C ATOM 1226 CG2 VAL A 81 -6.853 0.691 -1.803 1.00 0.00 C ATOM 0 H VAL A 81 -4.872 1.825 -3.631 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.497 -1.085 -3.538 1.00 0.00 H new ATOM 0 HB VAL A 81 -5.691 -1.071 -1.515 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.708 0.714 -0.137 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.517 0.014 -1.259 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.251 1.597 -1.613 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.101 0.795 -0.747 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.742 1.680 -2.249 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.652 0.152 -2.312 1.00 0.00 H new ATOM 1236 N MET A 82 -6.983 -1.715 -4.096 1.00 0.00 N ATOM 1237 CA MET A 82 -8.197 -2.096 -4.809 1.00 0.00 C ATOM 1238 C MET A 82 -9.104 -2.943 -3.922 1.00 0.00 C ATOM 1239 O MET A 82 -8.659 -3.911 -3.305 1.00 0.00 O ATOM 1240 CB MET A 82 -7.845 -2.868 -6.082 1.00 0.00 C ATOM 1241 CG MET A 82 -8.858 -2.687 -7.201 1.00 0.00 C ATOM 1242 SD MET A 82 -8.757 -3.988 -8.446 1.00 0.00 S ATOM 1243 CE MET A 82 -7.254 -3.522 -9.302 1.00 0.00 C ATOM 0 H MET A 82 -6.598 -2.445 -3.497 1.00 0.00 H new ATOM 0 HA MET A 82 -8.731 -1.185 -5.081 1.00 0.00 H new ATOM 0 HB2 MET A 82 -6.865 -2.545 -6.434 1.00 0.00 H new ATOM 0 HB3 MET A 82 -7.764 -3.929 -5.844 1.00 0.00 H new ATOM 0 HG2 MET A 82 -9.862 -2.672 -6.778 1.00 0.00 H new ATOM 0 HG3 MET A 82 -8.698 -1.720 -7.678 1.00 0.00 H new ATOM 0 HE1 MET A 82 -7.486 -3.278 -10.339 1.00 0.00 H new ATOM 0 HE2 MET A 82 -6.813 -2.652 -8.815 1.00 0.00 H new ATOM 0 HE3 MET A 82 -6.547 -4.351 -9.274 1.00 0.00 H new ATOM 1253 N THR A 83 -10.380 -2.572 -3.862 1.00 0.00 N ATOM 1254 CA THR A 83 -11.349 -3.296 -3.050 1.00 0.00 C ATOM 1255 C THR A 83 -12.525 -3.774 -3.894 1.00 0.00 C ATOM 1256 O THR A 83 -12.566 -3.552 -5.105 1.00 0.00 O ATOM 1257 CB THR A 83 -11.880 -2.423 -1.898 1.00 0.00 C ATOM 1258 OG1 THR A 83 -12.476 -1.230 -2.421 1.00 0.00 O ATOM 1259 CG2 THR A 83 -10.760 -2.056 -0.936 1.00 0.00 C ATOM 0 H THR A 83 -10.765 -1.774 -4.367 1.00 0.00 H new ATOM 0 HA THR A 83 -10.830 -4.159 -2.633 1.00 0.00 H new ATOM 0 HB THR A 83 -12.631 -2.996 -1.355 1.00 0.00 H new ATOM 0 HG1 THR A 83 -13.361 -1.103 -2.019 1.00 0.00 H new ATOM 0 HG21 THR A 83 -11.159 -1.439 -0.131 1.00 0.00 H new ATOM 0 HG22 THR A 83 -10.328 -2.965 -0.517 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.989 -1.501 -1.470 1.00 0.00 H new ATOM 1267 N THR A 84 -13.483 -4.431 -3.247 1.00 0.00 N ATOM 1268 CA THR A 84 -14.660 -4.941 -3.938 1.00 0.00 C ATOM 1269 C THR A 84 -15.405 -3.821 -4.656 1.00 0.00 C ATOM 1270 O THR A 84 -16.018 -4.040 -5.700 1.00 0.00 O ATOM 1271 CB THR A 84 -15.626 -5.640 -2.962 1.00 0.00 C ATOM 1272 OG1 THR A 84 -16.183 -4.683 -2.055 1.00 0.00 O ATOM 1273 CG2 THR A 84 -14.909 -6.731 -2.181 1.00 0.00 C ATOM 0 H THR A 84 -13.466 -4.622 -2.245 1.00 0.00 H new ATOM 0 HA THR A 84 -14.306 -5.667 -4.670 1.00 0.00 H new ATOM 0 HB THR A 84 -16.427 -6.098 -3.542 1.00 0.00 H new ATOM 0 HG1 THR A 84 -16.911 -5.099 -1.547 1.00 0.00 H new ATOM 0 HG21 THR A 84 -15.610 -7.211 -1.498 1.00 0.00 H new ATOM 0 HG22 THR A 84 -14.512 -7.473 -2.874 1.00 0.00 H new ATOM 0 HG23 THR A 84 -14.090 -6.292 -1.611 1.00 0.00 H new ATOM 1281 N GLY A 85 -15.345 -2.619 -4.091 1.00 0.00 N ATOM 1282 CA GLY A 85 -16.018 -1.483 -4.692 1.00 0.00 C ATOM 1283 C GLY A 85 -15.355 -0.165 -4.341 1.00 0.00 C ATOM 1284 O GLY A 85 -16.027 0.796 -3.970 1.00 0.00 O ATOM 0 H GLY A 85 -14.842 -2.412 -3.228 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -16.030 -1.603 -5.775 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -17.057 -1.463 -4.362 1.00 0.00 H new ATOM 1288 N GLY A 86 -14.031 -0.121 -4.457 1.00 0.00 N ATOM 1289 CA GLY A 86 -13.299 1.093 -4.144 1.00 0.00 C ATOM 1290 C GLY A 86 -11.839 1.008 -4.541 1.00 0.00 C ATOM 1291 O GLY A 86 -11.307 -0.084 -4.741 1.00 0.00 O ATOM 0 H GLY A 86 -13.453 -0.904 -4.762 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -13.763 1.936 -4.656 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -13.371 1.291 -3.075 1.00 0.00 H new ATOM 1295 N GLN A 87 -11.191 2.162 -4.658 1.00 0.00 N ATOM 1296 CA GLN A 87 -9.784 2.213 -5.037 1.00 0.00 C ATOM 1297 C GLN A 87 -9.118 3.471 -4.490 1.00 0.00 C ATOM 1298 O GLN A 87 -9.785 4.469 -4.216 1.00 0.00 O ATOM 1299 CB GLN A 87 -9.641 2.167 -6.559 1.00 0.00 C ATOM 1300 CG GLN A 87 -8.201 2.062 -7.032 1.00 0.00 C ATOM 1301 CD GLN A 87 -8.049 2.363 -8.510 1.00 0.00 C ATOM 1302 OE1 GLN A 87 -8.960 2.122 -9.302 1.00 0.00 O ATOM 1303 NE2 GLN A 87 -6.892 2.894 -8.891 1.00 0.00 N ATOM 0 H GLN A 87 -11.618 3.074 -4.496 1.00 0.00 H new ATOM 0 HA GLN A 87 -9.287 1.344 -4.606 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -10.204 1.316 -6.943 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -10.090 3.064 -6.985 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -7.583 2.753 -6.459 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -7.828 1.058 -6.829 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -6.163 3.078 -8.201 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -6.733 3.118 -9.873 1.00 0.00 H new ATOM 1312 N SER A 88 -7.799 3.416 -4.332 1.00 0.00 N ATOM 1313 CA SER A 88 -7.043 4.551 -3.814 1.00 0.00 C ATOM 1314 C SER A 88 -5.643 4.591 -4.417 1.00 0.00 C ATOM 1315 O SER A 88 -5.137 3.582 -4.908 1.00 0.00 O ATOM 1316 CB SER A 88 -6.952 4.476 -2.288 1.00 0.00 C ATOM 1317 OG SER A 88 -6.548 5.718 -1.740 1.00 0.00 O ATOM 0 H SER A 88 -7.232 2.598 -4.555 1.00 0.00 H new ATOM 0 HA SER A 88 -7.567 5.465 -4.095 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.920 4.191 -1.876 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.243 3.700 -2.001 1.00 0.00 H new ATOM 0 HG SER A 88 -7.133 6.429 -2.075 1.00 0.00 H new ATOM 1323 N SER A 89 -5.021 5.766 -4.376 1.00 0.00 N ATOM 1324 CA SER A 89 -3.680 5.940 -4.921 1.00 0.00 C ATOM 1325 C SER A 89 -2.852 6.870 -4.039 1.00 0.00 C ATOM 1326 O SER A 89 -3.380 7.802 -3.434 1.00 0.00 O ATOM 1327 CB SER A 89 -3.754 6.499 -6.343 1.00 0.00 C ATOM 1328 OG SER A 89 -4.593 7.640 -6.400 1.00 0.00 O ATOM 0 H SER A 89 -5.425 6.611 -3.971 1.00 0.00 H new ATOM 0 HA SER A 89 -3.195 4.964 -4.946 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.753 6.762 -6.686 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.132 5.732 -7.019 1.00 0.00 H new ATOM 0 HG SER A 89 -4.622 7.979 -7.319 1.00 0.00 H new ATOM 1334 N ALA A 90 -1.551 6.609 -3.973 1.00 0.00 N ATOM 1335 CA ALA A 90 -0.648 7.422 -3.168 1.00 0.00 C ATOM 1336 C ALA A 90 0.743 7.477 -3.789 1.00 0.00 C ATOM 1337 O ALA A 90 1.218 6.497 -4.363 1.00 0.00 O ATOM 1338 CB ALA A 90 -0.573 6.880 -1.749 1.00 0.00 C ATOM 0 H ALA A 90 -1.098 5.840 -4.468 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.044 8.437 -3.137 1.00 0.00 H new ATOM 0 HB1 ALA A 90 0.105 7.497 -1.159 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.566 6.900 -1.299 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -0.204 5.854 -1.770 1.00 0.00 H new ATOM 1344 N LYS A 91 1.393 8.630 -3.672 1.00 0.00 N ATOM 1345 CA LYS A 91 2.731 8.814 -4.222 1.00 0.00 C ATOM 1346 C LYS A 91 3.788 8.707 -3.127 1.00 0.00 C ATOM 1347 O LYS A 91 3.726 9.412 -2.119 1.00 0.00 O ATOM 1348 CB LYS A 91 2.837 10.173 -4.917 1.00 0.00 C ATOM 1349 CG LYS A 91 2.456 10.136 -6.387 1.00 0.00 C ATOM 1350 CD LYS A 91 3.048 11.311 -7.147 1.00 0.00 C ATOM 1351 CE LYS A 91 4.531 11.109 -7.418 1.00 0.00 C ATOM 1352 NZ LYS A 91 5.369 11.521 -6.258 1.00 0.00 N ATOM 0 H LYS A 91 1.015 9.452 -3.201 1.00 0.00 H new ATOM 0 HA LYS A 91 2.908 8.025 -4.953 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.194 10.886 -4.402 1.00 0.00 H new ATOM 0 HB3 LYS A 91 3.859 10.540 -4.824 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.803 9.203 -6.830 1.00 0.00 H new ATOM 0 HG3 LYS A 91 1.370 10.150 -6.483 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.519 11.439 -8.091 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.903 12.227 -6.574 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.719 10.060 -7.647 1.00 0.00 H new ATOM 0 HE3 LYS A 91 4.821 11.684 -8.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.167 12.097 -6.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 4.794 12.079 -5.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.732 10.675 -5.774 1.00 0.00 H new ATOM 1366 N LEU A 92 4.759 7.824 -3.332 1.00 0.00 N ATOM 1367 CA LEU A 92 5.831 7.626 -2.363 1.00 0.00 C ATOM 1368 C LEU A 92 7.161 8.131 -2.913 1.00 0.00 C ATOM 1369 O LEU A 92 7.759 7.507 -3.789 1.00 0.00 O ATOM 1370 CB LEU A 92 5.947 6.146 -1.996 1.00 0.00 C ATOM 1371 CG LEU A 92 6.906 5.811 -0.853 1.00 0.00 C ATOM 1372 CD1 LEU A 92 6.404 6.400 0.456 1.00 0.00 C ATOM 1373 CD2 LEU A 92 7.083 4.304 -0.729 1.00 0.00 C ATOM 0 H LEU A 92 4.826 7.234 -4.161 1.00 0.00 H new ATOM 0 HA LEU A 92 5.588 8.198 -1.467 1.00 0.00 H new ATOM 0 HB2 LEU A 92 4.955 5.779 -1.731 1.00 0.00 H new ATOM 0 HB3 LEU A 92 6.264 5.596 -2.882 1.00 0.00 H new ATOM 0 HG LEU A 92 7.876 6.253 -1.078 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.100 6.151 1.257 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.330 7.484 0.363 1.00 0.00 H new ATOM 0 HD13 LEU A 92 5.422 5.988 0.687 1.00 0.00 H new ATOM 0 HD21 LEU A 92 7.769 4.084 0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 92 6.118 3.840 -0.528 1.00 0.00 H new ATOM 0 HD23 LEU A 92 7.490 3.908 -1.659 1.00 0.00 H new ATOM 1385 N SER A 93 7.620 9.264 -2.390 1.00 0.00 N ATOM 1386 CA SER A 93 8.879 9.853 -2.830 1.00 0.00 C ATOM 1387 C SER A 93 10.029 9.414 -1.928 1.00 0.00 C ATOM 1388 O SER A 93 10.122 9.832 -0.774 1.00 0.00 O ATOM 1389 CB SER A 93 8.777 11.380 -2.837 1.00 0.00 C ATOM 1390 OG SER A 93 8.181 11.845 -4.036 1.00 0.00 O ATOM 0 H SER A 93 7.139 9.792 -1.662 1.00 0.00 H new ATOM 0 HA SER A 93 9.080 9.504 -3.843 1.00 0.00 H new ATOM 0 HB2 SER A 93 8.189 11.712 -1.982 1.00 0.00 H new ATOM 0 HB3 SER A 93 9.771 11.815 -2.729 1.00 0.00 H new ATOM 0 HG SER A 93 8.125 12.823 -4.016 1.00 0.00 H new ATOM 1396 N VAL A 94 10.902 8.567 -2.463 1.00 0.00 N ATOM 1397 CA VAL A 94 12.047 8.071 -1.709 1.00 0.00 C ATOM 1398 C VAL A 94 13.256 8.984 -1.879 1.00 0.00 C ATOM 1399 O VAL A 94 13.687 9.257 -2.999 1.00 0.00 O ATOM 1400 CB VAL A 94 12.430 6.644 -2.144 1.00 0.00 C ATOM 1401 CG1 VAL A 94 13.545 6.099 -1.265 1.00 0.00 C ATOM 1402 CG2 VAL A 94 11.214 5.731 -2.105 1.00 0.00 C ATOM 0 H VAL A 94 10.838 8.210 -3.416 1.00 0.00 H new ATOM 0 HA VAL A 94 11.752 8.057 -0.660 1.00 0.00 H new ATOM 0 HB VAL A 94 12.795 6.681 -3.170 1.00 0.00 H new ATOM 0 HG11 VAL A 94 13.802 5.090 -1.587 1.00 0.00 H new ATOM 0 HG12 VAL A 94 14.422 6.741 -1.349 1.00 0.00 H new ATOM 0 HG13 VAL A 94 13.211 6.075 -0.228 1.00 0.00 H new ATOM 0 HG21 VAL A 94 11.503 4.727 -2.415 1.00 0.00 H new ATOM 0 HG22 VAL A 94 10.817 5.697 -1.090 1.00 0.00 H new ATOM 0 HG23 VAL A 94 10.450 6.114 -2.781 1.00 0.00 H new ATOM 1412 N ASP A 95 13.798 9.454 -0.761 1.00 0.00 N ATOM 1413 CA ASP A 95 14.958 10.336 -0.786 1.00 0.00 C ATOM 1414 C ASP A 95 16.212 9.598 -0.325 1.00 0.00 C ATOM 1415 O ASP A 95 16.130 8.509 0.244 1.00 0.00 O ATOM 1416 CB ASP A 95 14.716 11.558 0.101 1.00 0.00 C ATOM 1417 CG ASP A 95 15.507 12.769 -0.353 1.00 0.00 C ATOM 1418 OD1 ASP A 95 15.742 12.901 -1.572 1.00 0.00 O ATOM 1419 OD2 ASP A 95 15.892 13.585 0.511 1.00 0.00 O ATOM 0 H ASP A 95 13.452 9.239 0.174 1.00 0.00 H new ATOM 0 HA ASP A 95 15.109 10.667 -1.813 1.00 0.00 H new ATOM 0 HB2 ASP A 95 13.653 11.800 0.099 1.00 0.00 H new ATOM 0 HB3 ASP A 95 14.986 11.316 1.129 1.00 0.00 H new