USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 556 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 25 TYR OH : rot 30:sc= 0 USER MOD Set 1.2: A 43 CYS SG : rot -115:sc= 0.583 USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 14 MET CE :methyl -167:sc=-0.00595 (180deg=-0.208) USER MOD Single : A 15 CYS SG : rot -37:sc= -0.942 USER MOD Single : A 16 MET CE :methyl 168:sc=-0.00313 (180deg=-0.194) USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 40:sc= 0.00284 USER MOD Single : A 47 ASN : amide:sc= -0.0147 K(o=-0.015,f=-1) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 173:sc= 0 (180deg=-0.0646) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0.107 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= -0.0935 K(o=-0.093,f=-0.75) USER MOD Single : A 68 MET CE :methyl 161:sc= -0.0442 (180deg=-0.368) USER MOD Single : A 70 MET CE :methyl 166:sc= -0.0283 (180deg=-0.292) USER MOD Single : A 73 GLN : amide:sc= -0.0514 X(o=-0.051,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 20 N GLY A 9 -0.063 4.478 0.614 1.00 0.00 N ATOM 21 CA GLY A 9 0.600 5.770 0.490 1.00 0.00 C ATOM 22 C GLY A 9 1.149 6.238 1.832 1.00 0.00 C ATOM 23 O GLY A 9 2.261 6.761 1.910 1.00 0.00 O ATOM 0 HA2 GLY A 9 1.413 5.697 -0.233 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.104 6.508 0.105 1.00 0.00 H new ATOM 27 N TRP A 10 0.364 6.047 2.887 1.00 0.00 N ATOM 28 CA TRP A 10 0.787 6.411 4.233 1.00 0.00 C ATOM 29 C TRP A 10 2.032 5.637 4.648 1.00 0.00 C ATOM 30 O TRP A 10 2.936 6.187 5.277 1.00 0.00 O ATOM 31 CB TRP A 10 -0.338 6.148 5.236 1.00 0.00 C ATOM 32 CG TRP A 10 0.018 6.513 6.645 1.00 0.00 C ATOM 33 CD1 TRP A 10 -0.040 7.754 7.204 1.00 0.00 C ATOM 34 CD2 TRP A 10 0.490 5.625 7.687 1.00 0.00 C ATOM 35 NE1 TRP A 10 0.364 7.701 8.516 1.00 0.00 N ATOM 36 CE2 TRP A 10 0.690 6.406 8.828 1.00 0.00 C ATOM 37 CE3 TRP A 10 0.754 4.251 7.741 1.00 0.00 C ATOM 38 CZ2 TRP A 10 1.146 5.862 10.018 1.00 0.00 C ATOM 39 CZ3 TRP A 10 1.210 3.705 8.935 1.00 0.00 C ATOM 40 CH2 TRP A 10 1.400 4.490 10.044 1.00 0.00 C ATOM 0 H TRP A 10 -0.570 5.641 2.835 1.00 0.00 H new ATOM 0 HA TRP A 10 1.025 7.475 4.228 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -1.221 6.712 4.935 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -0.607 5.092 5.200 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -0.357 8.649 6.690 1.00 0.00 H new ATOM 0 HE1 TRP A 10 0.413 8.495 9.154 1.00 0.00 H new ATOM 0 HE3 TRP A 10 0.606 3.628 6.872 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 1.299 6.477 10.893 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 1.418 2.647 8.991 1.00 0.00 H new ATOM 0 HH2 TRP A 10 1.754 4.036 10.958 1.00 0.00 H new ATOM 51 N LEU A 11 2.073 4.358 4.292 1.00 0.00 N ATOM 52 CA LEU A 11 3.216 3.510 4.610 1.00 0.00 C ATOM 53 C LEU A 11 4.472 3.986 3.892 1.00 0.00 C ATOM 54 O LEU A 11 5.566 3.968 4.456 1.00 0.00 O ATOM 55 CB LEU A 11 2.920 2.055 4.225 1.00 0.00 C ATOM 56 CG LEU A 11 1.834 1.356 5.052 1.00 0.00 C ATOM 57 CD1 LEU A 11 1.528 -0.006 4.443 1.00 0.00 C ATOM 58 CD2 LEU A 11 2.302 1.218 6.493 1.00 0.00 C ATOM 0 H LEU A 11 1.327 3.885 3.782 1.00 0.00 H new ATOM 0 HA LEU A 11 3.390 3.572 5.684 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.625 2.029 3.176 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.842 1.481 4.311 1.00 0.00 H new ATOM 0 HG LEU A 11 0.920 1.950 5.043 1.00 0.00 H new ATOM 0 HD11 LEU A 11 0.756 -0.502 5.031 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.177 0.124 3.419 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.432 -0.616 4.442 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.530 0.721 7.080 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.217 0.627 6.523 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.495 2.207 6.909 1.00 0.00 H new ATOM 70 N GLN A 12 4.309 4.413 2.644 1.00 0.00 N ATOM 71 CA GLN A 12 5.410 4.985 1.879 1.00 0.00 C ATOM 72 C GLN A 12 5.903 6.281 2.509 1.00 0.00 C ATOM 73 O GLN A 12 7.106 6.535 2.570 1.00 0.00 O ATOM 74 CB GLN A 12 4.983 5.236 0.431 1.00 0.00 C ATOM 75 CG GLN A 12 4.765 3.972 -0.383 1.00 0.00 C ATOM 76 CD GLN A 12 4.236 4.263 -1.774 1.00 0.00 C ATOM 77 OE1 GLN A 12 3.930 5.410 -2.110 1.00 0.00 O ATOM 78 NE2 GLN A 12 4.126 3.223 -2.594 1.00 0.00 N ATOM 0 H GLN A 12 3.423 4.373 2.140 1.00 0.00 H new ATOM 0 HA GLN A 12 6.230 4.267 1.888 1.00 0.00 H new ATOM 0 HB2 GLN A 12 4.061 5.818 0.432 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.743 5.844 -0.060 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.706 3.427 -0.462 1.00 0.00 H new ATOM 0 HG3 GLN A 12 4.064 3.322 0.141 1.00 0.00 H new ATOM 0 HE21 GLN A 12 4.391 2.291 -2.274 1.00 0.00 H new ATOM 0 HE22 GLN A 12 3.777 3.357 -3.543 1.00 0.00 H new ATOM 87 N GLU A 13 4.966 7.100 2.976 1.00 0.00 N ATOM 88 CA GLU A 13 5.306 8.332 3.676 1.00 0.00 C ATOM 89 C GLU A 13 6.114 8.046 4.935 1.00 0.00 C ATOM 90 O GLU A 13 7.104 8.722 5.216 1.00 0.00 O ATOM 91 CB GLU A 13 4.037 9.107 4.039 1.00 0.00 C ATOM 92 CG GLU A 13 3.327 9.742 2.851 1.00 0.00 C ATOM 93 CD GLU A 13 1.988 10.323 3.212 1.00 0.00 C ATOM 94 OE1 GLU A 13 1.572 10.155 4.333 1.00 0.00 O ATOM 95 OE2 GLU A 13 1.380 10.934 2.365 1.00 0.00 O1- ATOM 0 H GLU A 13 3.964 6.932 2.882 1.00 0.00 H new ATOM 0 HA GLU A 13 5.917 8.937 3.006 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.345 8.432 4.542 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.295 9.889 4.753 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.958 10.527 2.434 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.194 8.993 2.071 1.00 0.00 H new ATOM 102 N MET A 14 5.687 7.040 5.690 1.00 0.00 N ATOM 103 CA MET A 14 6.401 6.627 6.893 1.00 0.00 C ATOM 104 C MET A 14 7.811 6.156 6.562 1.00 0.00 C ATOM 105 O MET A 14 8.770 6.504 7.251 1.00 0.00 O ATOM 106 CB MET A 14 5.627 5.526 7.614 1.00 0.00 C ATOM 107 CG MET A 14 4.330 5.989 8.263 1.00 0.00 C ATOM 108 SD MET A 14 4.597 7.237 9.537 1.00 0.00 S ATOM 109 CE MET A 14 5.367 6.253 10.820 1.00 0.00 C ATOM 0 H MET A 14 4.849 6.495 5.490 1.00 0.00 H new ATOM 0 HA MET A 14 6.483 7.491 7.552 1.00 0.00 H new ATOM 0 HB2 MET A 14 5.399 4.733 6.902 1.00 0.00 H new ATOM 0 HB3 MET A 14 6.268 5.091 8.381 1.00 0.00 H new ATOM 0 HG2 MET A 14 3.669 6.394 7.496 1.00 0.00 H new ATOM 0 HG3 MET A 14 3.821 5.131 8.702 1.00 0.00 H new ATOM 0 HE1 MET A 14 5.383 6.818 11.752 1.00 0.00 H new ATOM 0 HE2 MET A 14 4.799 5.333 10.963 1.00 0.00 H new ATOM 0 HE3 MET A 14 6.388 6.007 10.527 1.00 0.00 H new ATOM 119 N CYS A 15 7.931 5.364 5.502 1.00 0.00 N ATOM 120 CA CYS A 15 9.233 4.911 5.027 1.00 0.00 C ATOM 121 C CYS A 15 10.166 6.088 4.773 1.00 0.00 C ATOM 122 O CYS A 15 11.318 6.086 5.208 1.00 0.00 O ATOM 123 CB CYS A 15 9.084 4.098 3.742 1.00 0.00 C ATOM 124 SG CYS A 15 10.652 3.533 3.039 1.00 0.00 S ATOM 0 H CYS A 15 7.141 5.022 4.955 1.00 0.00 H new ATOM 0 HA CYS A 15 9.664 4.282 5.805 1.00 0.00 H new ATOM 0 HB2 CYS A 15 8.456 3.231 3.944 1.00 0.00 H new ATOM 0 HB3 CYS A 15 8.563 4.703 3.000 1.00 0.00 H new ATOM 0 HG CYS A 15 11.556 4.453 3.199 1.00 0.00 H new ATOM 130 N MET A 16 9.662 7.093 4.064 1.00 0.00 N ATOM 131 CA MET A 16 10.439 8.294 3.779 1.00 0.00 C ATOM 132 C MET A 16 10.841 9.008 5.063 1.00 0.00 C ATOM 133 O MET A 16 11.995 9.403 5.229 1.00 0.00 O ATOM 134 CB MET A 16 9.644 9.233 2.873 1.00 0.00 C ATOM 135 CG MET A 16 9.454 8.725 1.451 1.00 0.00 C ATOM 136 SD MET A 16 8.375 9.788 0.471 1.00 0.00 S ATOM 137 CE MET A 16 9.401 11.245 0.300 1.00 0.00 C ATOM 0 H MET A 16 8.719 7.100 3.676 1.00 0.00 H new ATOM 0 HA MET A 16 11.351 7.993 3.264 1.00 0.00 H new ATOM 0 HB2 MET A 16 8.664 9.404 3.318 1.00 0.00 H new ATOM 0 HB3 MET A 16 10.150 10.198 2.836 1.00 0.00 H new ATOM 0 HG2 MET A 16 10.426 8.652 0.963 1.00 0.00 H new ATOM 0 HG3 MET A 16 9.036 7.719 1.482 1.00 0.00 H new ATOM 0 HE1 MET A 16 8.971 11.907 -0.452 1.00 0.00 H new ATOM 0 HE2 MET A 16 9.454 11.767 1.255 1.00 0.00 H new ATOM 0 HE3 MET A 16 10.404 10.950 -0.008 1.00 0.00 H new ATOM 147 N GLN A 17 9.883 9.170 5.969 1.00 0.00 N ATOM 148 CA GLN A 17 10.129 9.860 7.229 1.00 0.00 C ATOM 149 C GLN A 17 11.158 9.118 8.072 1.00 0.00 C ATOM 150 O GLN A 17 11.912 9.729 8.829 1.00 0.00 O ATOM 151 CB GLN A 17 8.826 10.019 8.017 1.00 0.00 C ATOM 152 CG GLN A 17 7.860 11.032 7.425 1.00 0.00 C ATOM 153 CD GLN A 17 6.546 11.089 8.180 1.00 0.00 C ATOM 154 OE1 GLN A 17 6.347 10.369 9.162 1.00 0.00 O ATOM 155 NE2 GLN A 17 5.640 11.948 7.726 1.00 0.00 N ATOM 0 H GLN A 17 8.928 8.832 5.854 1.00 0.00 H new ATOM 0 HA GLN A 17 10.526 10.848 6.994 1.00 0.00 H new ATOM 0 HB2 GLN A 17 8.329 9.051 8.075 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.066 10.316 9.038 1.00 0.00 H new ATOM 0 HG2 GLN A 17 8.323 12.019 7.432 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.666 10.779 6.383 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.847 12.524 6.910 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.737 12.031 8.193 1.00 0.00 H new ATOM 164 N ARG A 18 11.185 7.797 7.935 1.00 0.00 N ATOM 165 CA ARG A 18 12.131 6.969 8.675 1.00 0.00 C ATOM 166 C ARG A 18 13.454 6.845 7.930 1.00 0.00 C ATOM 167 O ARG A 18 14.397 6.224 8.420 1.00 0.00 O ATOM 168 CB ARG A 18 11.554 5.581 8.914 1.00 0.00 C ATOM 169 CG ARG A 18 10.354 5.540 9.847 1.00 0.00 C ATOM 170 CD ARG A 18 9.801 4.167 9.968 1.00 0.00 C ATOM 171 NE ARG A 18 8.633 4.127 10.834 1.00 0.00 N ATOM 172 CZ ARG A 18 8.678 4.019 12.176 1.00 0.00 C ATOM 173 NH1 ARG A 18 9.838 3.939 12.790 1.00 0.00 N1+ ATOM 174 NH2 ARG A 18 7.557 3.991 12.875 1.00 0.00 N ATOM 0 H ARG A 18 10.562 7.276 7.318 1.00 0.00 H new ATOM 0 HA ARG A 18 12.313 7.455 9.633 1.00 0.00 H new ATOM 0 HB2 ARG A 18 11.265 5.153 7.954 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.337 4.943 9.324 1.00 0.00 H new ATOM 0 HG2 ARG A 18 10.646 5.903 10.832 1.00 0.00 H new ATOM 0 HG3 ARG A 18 9.581 6.213 9.476 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.533 3.795 8.979 1.00 0.00 H new ATOM 0 HD3 ARG A 18 10.568 3.500 10.362 1.00 0.00 H new ATOM 0 HE ARG A 18 7.715 4.185 10.394 1.00 0.00 H new ATOM 0 HH11 ARG A 18 10.703 3.959 12.250 1.00 0.00 H new ATOM 0 HH12 ARG A 18 9.873 3.857 13.806 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.657 4.051 12.398 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.592 3.909 13.891 1.00 0.00 H new ATOM 188 N ARG A 19 13.516 7.438 6.743 1.00 0.00 N ATOM 189 CA ARG A 19 14.728 7.403 5.932 1.00 0.00 C ATOM 190 C ARG A 19 15.121 5.972 5.590 1.00 0.00 C ATOM 191 O ARG A 19 16.302 5.628 5.581 1.00 0.00 O ATOM 192 CB ARG A 19 15.879 8.082 6.660 1.00 0.00 C ATOM 193 CG ARG A 19 15.670 9.560 6.949 1.00 0.00 C ATOM 194 CD ARG A 19 16.841 10.155 7.642 1.00 0.00 C ATOM 195 NE ARG A 19 16.583 11.520 8.070 1.00 0.00 N ATOM 196 CZ ARG A 19 17.456 12.286 8.752 1.00 0.00 C ATOM 197 NH1 ARG A 19 18.638 11.809 9.075 1.00 0.00 N1+ ATOM 198 NH2 ARG A 19 17.125 13.519 9.096 1.00 0.00 N ATOM 0 H ARG A 19 12.741 7.949 6.321 1.00 0.00 H new ATOM 0 HA ARG A 19 14.518 7.939 5.007 1.00 0.00 H new ATOM 0 HB2 ARG A 19 16.050 7.563 7.603 1.00 0.00 H new ATOM 0 HB3 ARG A 19 16.785 7.968 6.064 1.00 0.00 H new ATOM 0 HG2 ARG A 19 15.491 10.092 6.014 1.00 0.00 H new ATOM 0 HG3 ARG A 19 14.779 9.688 7.564 1.00 0.00 H new ATOM 0 HD2 ARG A 19 17.098 9.546 8.508 1.00 0.00 H new ATOM 0 HD3 ARG A 19 17.703 10.141 6.975 1.00 0.00 H new ATOM 0 HE ARG A 19 15.677 11.926 7.837 1.00 0.00 H new ATOM 0 HH11 ARG A 19 18.894 10.858 8.809 1.00 0.00 H new ATOM 0 HH12 ARG A 19 19.299 12.390 9.591 1.00 0.00 H new ATOM 0 HH21 ARG A 19 16.209 13.890 8.845 1.00 0.00 H new ATOM 0 HH22 ARG A 19 17.786 14.099 9.613 1.00 0.00 H new ATOM 212 N TRP A 20 14.123 5.141 5.308 1.00 0.00 N ATOM 213 CA TRP A 20 14.364 3.754 4.930 1.00 0.00 C ATOM 214 C TRP A 20 14.277 3.571 3.420 1.00 0.00 C ATOM 215 O TRP A 20 13.668 4.381 2.722 1.00 0.00 O ATOM 216 CB TRP A 20 13.357 2.830 5.618 1.00 0.00 C ATOM 217 CG TRP A 20 13.602 2.667 7.088 1.00 0.00 C ATOM 218 CD1 TRP A 20 14.688 3.102 7.786 1.00 0.00 C ATOM 219 CD2 TRP A 20 12.738 2.019 8.052 1.00 0.00 C ATOM 220 NE1 TRP A 20 14.562 2.770 9.112 1.00 0.00 N ATOM 221 CE2 TRP A 20 13.374 2.108 9.293 1.00 0.00 C ATOM 222 CE3 TRP A 20 11.495 1.380 7.963 1.00 0.00 C ATOM 223 CZ2 TRP A 20 12.811 1.580 10.445 1.00 0.00 C ATOM 224 CZ3 TRP A 20 10.930 0.852 9.118 1.00 0.00 C ATOM 225 CH2 TRP A 20 11.572 0.951 10.327 1.00 0.00 C ATOM 0 H TRP A 20 13.138 5.405 5.334 1.00 0.00 H new ATOM 0 HA TRP A 20 15.372 3.494 5.253 1.00 0.00 H new ATOM 0 HB2 TRP A 20 12.352 3.224 5.467 1.00 0.00 H new ATOM 0 HB3 TRP A 20 13.390 1.850 5.141 1.00 0.00 H new ATOM 0 HD1 TRP A 20 15.527 3.631 7.358 1.00 0.00 H new ATOM 0 HE1 TRP A 20 15.241 2.981 9.843 1.00 0.00 H new ATOM 0 HE3 TRP A 20 10.985 1.299 7.015 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 13.313 1.653 11.398 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 9.972 0.357 9.063 1.00 0.00 H new ATOM 0 HH2 TRP A 20 11.107 0.532 11.207 1.00 0.00 H new ATOM 236 N PRO A 21 14.889 2.502 2.922 1.00 0.00 N ATOM 237 CA PRO A 21 14.782 2.145 1.513 1.00 0.00 C ATOM 238 C PRO A 21 13.325 2.038 1.081 1.00 0.00 C ATOM 239 O PRO A 21 12.477 1.564 1.836 1.00 0.00 O ATOM 240 CB PRO A 21 15.492 0.789 1.446 1.00 0.00 C ATOM 241 CG PRO A 21 16.448 0.820 2.589 1.00 0.00 C ATOM 242 CD PRO A 21 15.703 1.542 3.680 1.00 0.00 C ATOM 0 HA PRO A 21 15.220 2.887 0.845 1.00 0.00 H new ATOM 0 HB2 PRO A 21 14.785 -0.036 1.540 1.00 0.00 H new ATOM 0 HB3 PRO A 21 16.011 0.658 0.496 1.00 0.00 H new ATOM 0 HG2 PRO A 21 16.730 -0.186 2.899 1.00 0.00 H new ATOM 0 HG3 PRO A 21 17.368 1.341 2.324 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.087 0.863 4.270 1.00 0.00 H new ATOM 0 HD3 PRO A 21 16.380 2.041 4.373 1.00 0.00 H new ATOM 250 N PRO A 22 13.040 2.483 -0.139 1.00 0.00 N ATOM 251 CA PRO A 22 11.683 2.447 -0.670 1.00 0.00 C ATOM 252 C PRO A 22 11.205 1.014 -0.864 1.00 0.00 C ATOM 253 O PRO A 22 11.986 0.131 -1.217 1.00 0.00 O ATOM 254 CB PRO A 22 11.816 3.185 -2.006 1.00 0.00 C ATOM 255 CG PRO A 22 13.252 3.022 -2.372 1.00 0.00 C ATOM 256 CD PRO A 22 13.985 3.107 -1.059 1.00 0.00 C ATOM 0 HA PRO A 22 10.947 2.901 -0.006 1.00 0.00 H new ATOM 0 HB2 PRO A 22 11.161 2.757 -2.764 1.00 0.00 H new ATOM 0 HB3 PRO A 22 11.547 4.237 -1.909 1.00 0.00 H new ATOM 0 HG2 PRO A 22 13.430 2.067 -2.866 1.00 0.00 H new ATOM 0 HG3 PRO A 22 13.578 3.802 -3.060 1.00 0.00 H new ATOM 0 HD2 PRO A 22 14.936 2.576 -1.088 1.00 0.00 H new ATOM 0 HD3 PRO A 22 14.204 4.138 -0.781 1.00 0.00 H new ATOM 264 N PRO A 23 9.916 0.789 -0.632 1.00 0.00 N ATOM 265 CA PRO A 23 9.336 -0.543 -0.756 1.00 0.00 C ATOM 266 C PRO A 23 9.201 -0.951 -2.217 1.00 0.00 C ATOM 267 O PRO A 23 9.034 -0.104 -3.095 1.00 0.00 O ATOM 268 CB PRO A 23 7.968 -0.387 -0.084 1.00 0.00 C ATOM 269 CG PRO A 23 7.623 1.049 -0.286 1.00 0.00 C ATOM 270 CD PRO A 23 8.934 1.774 -0.137 1.00 0.00 C ATOM 0 HA PRO A 23 9.946 -1.324 -0.301 1.00 0.00 H new ATOM 0 HB2 PRO A 23 7.225 -1.043 -0.537 1.00 0.00 H new ATOM 0 HB3 PRO A 23 8.013 -0.641 0.975 1.00 0.00 H new ATOM 0 HG2 PRO A 23 7.185 1.218 -1.270 1.00 0.00 H new ATOM 0 HG3 PRO A 23 6.895 1.390 0.450 1.00 0.00 H new ATOM 0 HD2 PRO A 23 8.955 2.694 -0.721 1.00 0.00 H new ATOM 0 HD3 PRO A 23 9.127 2.050 0.900 1.00 0.00 H new ATOM 278 N SER A 24 9.273 -2.253 -2.472 1.00 0.00 N ATOM 279 CA SER A 24 9.091 -2.781 -3.818 1.00 0.00 C ATOM 280 C SER A 24 8.141 -3.972 -3.819 1.00 0.00 C ATOM 281 O SER A 24 8.041 -4.699 -2.831 1.00 0.00 O ATOM 282 CB SER A 24 10.429 -3.190 -4.404 1.00 0.00 C ATOM 283 OG SER A 24 10.993 -4.247 -3.678 1.00 0.00 O ATOM 0 H SER A 24 9.456 -2.963 -1.763 1.00 0.00 H new ATOM 0 HA SER A 24 8.653 -1.994 -4.431 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.299 -3.488 -5.444 1.00 0.00 H new ATOM 0 HB3 SER A 24 11.108 -2.337 -4.399 1.00 0.00 H new ATOM 0 HG SER A 24 11.854 -4.494 -4.076 1.00 0.00 H new ATOM 289 N TYR A 25 7.446 -4.167 -4.934 1.00 0.00 N ATOM 290 CA TYR A 25 6.408 -5.187 -5.022 1.00 0.00 C ATOM 291 C TYR A 25 6.703 -6.179 -6.139 1.00 0.00 C ATOM 292 O TYR A 25 7.071 -5.790 -7.247 1.00 0.00 O ATOM 293 CB TYR A 25 5.038 -4.540 -5.235 1.00 0.00 C ATOM 294 CG TYR A 25 4.571 -3.698 -4.068 1.00 0.00 C ATOM 295 CD1 TYR A 25 4.950 -2.367 -3.978 1.00 0.00 C ATOM 296 CD2 TYR A 25 3.765 -4.258 -3.088 1.00 0.00 C ATOM 297 CE1 TYR A 25 4.524 -1.598 -2.912 1.00 0.00 C ATOM 298 CE2 TYR A 25 3.339 -3.489 -2.022 1.00 0.00 C ATOM 299 CZ TYR A 25 3.716 -2.165 -1.932 1.00 0.00 C ATOM 300 OH TYR A 25 3.292 -1.399 -0.871 1.00 0.00 O ATOM 0 H TYR A 25 7.583 -3.631 -5.791 1.00 0.00 H new ATOM 0 HA TYR A 25 6.396 -5.734 -4.079 1.00 0.00 H new ATOM 0 HB2 TYR A 25 5.076 -3.916 -6.128 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.303 -5.322 -5.424 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.578 -1.932 -4.741 1.00 0.00 H new ATOM 0 HD2 TYR A 25 3.470 -5.295 -3.158 1.00 0.00 H new ATOM 0 HE1 TYR A 25 4.817 -0.561 -2.840 1.00 0.00 H new ATOM 0 HE2 TYR A 25 2.711 -3.925 -1.259 1.00 0.00 H new ATOM 0 HH TYR A 25 3.211 -0.464 -1.154 1.00 0.00 H new ATOM 310 N GLU A 26 6.539 -7.464 -5.841 1.00 0.00 N ATOM 311 CA GLU A 26 6.642 -8.505 -6.857 1.00 0.00 C ATOM 312 C GLU A 26 5.312 -9.224 -7.046 1.00 0.00 C ATOM 313 O GLU A 26 4.844 -9.928 -6.151 1.00 0.00 O ATOM 314 CB GLU A 26 7.729 -9.514 -6.478 1.00 0.00 C ATOM 315 CG GLU A 26 7.936 -10.626 -7.496 1.00 0.00 C ATOM 316 CD GLU A 26 9.073 -11.543 -7.138 1.00 0.00 C ATOM 317 OE1 GLU A 26 9.713 -11.303 -6.142 1.00 0.00 O ATOM 318 OE2 GLU A 26 9.301 -12.484 -7.861 1.00 0.00 O1- ATOM 0 H GLU A 26 6.334 -7.809 -4.903 1.00 0.00 H new ATOM 0 HA GLU A 26 6.910 -8.026 -7.799 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.671 -8.982 -6.343 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.474 -9.961 -5.517 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.019 -11.209 -7.581 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.126 -10.185 -8.475 1.00 0.00 H new ATOM 325 N THR A 27 4.709 -9.042 -8.215 1.00 0.00 N ATOM 326 CA THR A 27 3.362 -9.540 -8.468 1.00 0.00 C ATOM 327 C THR A 27 3.396 -10.872 -9.206 1.00 0.00 C ATOM 328 O THR A 27 3.922 -10.964 -10.316 1.00 0.00 O ATOM 329 CB THR A 27 2.537 -8.521 -9.276 1.00 0.00 C ATOM 330 OG1 THR A 27 2.406 -7.306 -8.527 1.00 0.00 O ATOM 331 CG2 THR A 27 1.154 -9.077 -9.580 1.00 0.00 C ATOM 0 H THR A 27 5.132 -8.553 -9.004 1.00 0.00 H new ATOM 0 HA THR A 27 2.886 -9.689 -7.499 1.00 0.00 H new ATOM 0 HB THR A 27 3.052 -8.322 -10.216 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.882 -6.658 -9.043 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.585 -8.344 -10.151 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.250 -9.994 -10.161 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.635 -9.292 -8.646 1.00 0.00 H new ATOM 339 N GLU A 28 2.834 -11.902 -8.584 1.00 0.00 N ATOM 340 CA GLU A 28 2.604 -13.173 -9.261 1.00 0.00 C ATOM 341 C GLU A 28 1.149 -13.315 -9.687 1.00 0.00 C ATOM 342 O GLU A 28 0.236 -13.168 -8.874 1.00 0.00 O ATOM 343 CB GLU A 28 2.996 -14.340 -8.351 1.00 0.00 C ATOM 344 CG GLU A 28 2.887 -15.710 -9.004 1.00 0.00 C ATOM 345 CD GLU A 28 3.361 -16.823 -8.112 1.00 0.00 C ATOM 346 OE1 GLU A 28 4.488 -16.773 -7.680 1.00 0.00 O ATOM 347 OE2 GLU A 28 2.596 -17.724 -7.862 1.00 0.00 O1- ATOM 0 H GLU A 28 2.529 -11.882 -7.611 1.00 0.00 H new ATOM 0 HA GLU A 28 3.226 -13.191 -10.156 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.022 -14.193 -8.013 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.362 -14.322 -7.464 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.849 -15.892 -9.283 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.471 -15.715 -9.925 1.00 0.00 H new ATOM 354 N THR A 29 0.938 -13.603 -10.967 1.00 0.00 N ATOM 355 CA THR A 29 -0.406 -13.648 -11.530 1.00 0.00 C ATOM 356 C THR A 29 -0.821 -15.079 -11.852 1.00 0.00 C ATOM 357 O THR A 29 -0.004 -15.998 -11.801 1.00 0.00 O ATOM 358 CB THR A 29 -0.504 -12.784 -12.801 1.00 0.00 C ATOM 359 OG1 THR A 29 0.312 -13.352 -13.833 1.00 0.00 O ATOM 360 CG2 THR A 29 -0.039 -11.364 -12.516 1.00 0.00 C ATOM 0 H THR A 29 1.681 -13.809 -11.634 1.00 0.00 H new ATOM 0 HA THR A 29 -1.084 -13.247 -10.777 1.00 0.00 H new ATOM 0 HB THR A 29 -1.544 -12.758 -13.125 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.247 -12.802 -14.641 1.00 0.00 H new ATOM 0 HG21 THR A 29 -0.115 -10.767 -13.425 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.666 -10.925 -11.740 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.997 -11.381 -12.179 1.00 0.00 H new ATOM 368 N GLU A 30 -2.095 -15.260 -12.182 1.00 0.00 N ATOM 369 CA GLU A 30 -2.610 -16.571 -12.557 1.00 0.00 C ATOM 370 C GLU A 30 -2.405 -17.584 -11.438 1.00 0.00 C ATOM 371 O GLU A 30 -1.933 -18.697 -11.674 1.00 0.00 O ATOM 372 CB GLU A 30 -1.931 -17.065 -13.837 1.00 0.00 C ATOM 373 CG GLU A 30 -2.163 -16.181 -15.054 1.00 0.00 C ATOM 374 CD GLU A 30 -1.487 -16.701 -16.292 1.00 0.00 C ATOM 375 OE1 GLU A 30 -0.879 -17.742 -16.221 1.00 0.00 O ATOM 376 OE2 GLU A 30 -1.579 -16.056 -17.310 1.00 0.00 O1- ATOM 0 H GLU A 30 -2.791 -14.514 -12.197 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.680 -16.470 -12.736 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.859 -17.142 -13.658 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.290 -18.070 -14.059 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.234 -16.099 -15.238 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.798 -15.176 -14.842 1.00 0.00 H new ATOM 383 N VAL A 31 -2.762 -17.192 -10.220 1.00 0.00 N ATOM 384 CA VAL A 31 -2.636 -18.073 -9.065 1.00 0.00 C ATOM 385 C VAL A 31 -3.910 -18.878 -8.844 1.00 0.00 C ATOM 386 O VAL A 31 -5.015 -18.340 -8.906 1.00 0.00 O ATOM 387 CB VAL A 31 -2.325 -17.252 -7.799 1.00 0.00 C ATOM 388 CG1 VAL A 31 -2.260 -18.159 -6.579 1.00 0.00 C ATOM 389 CG2 VAL A 31 -1.018 -16.496 -7.980 1.00 0.00 C ATOM 0 H VAL A 31 -3.141 -16.269 -10.007 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.817 -18.764 -9.263 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.126 -16.530 -7.640 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.039 -17.563 -5.694 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.218 -18.662 -6.448 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.476 -18.903 -6.720 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.805 -15.918 -7.081 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.209 -17.205 -8.156 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.102 -15.823 -8.833 1.00 0.00 H new ATOM 399 N GLY A 32 -3.749 -20.172 -8.587 1.00 0.00 N ATOM 400 CA GLY A 32 -4.885 -21.050 -8.331 1.00 0.00 C ATOM 401 C GLY A 32 -5.391 -21.684 -9.620 1.00 0.00 C ATOM 402 O GLY A 32 -4.647 -21.817 -10.592 1.00 0.00 O ATOM 0 H GLY A 32 -2.842 -20.636 -8.550 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.594 -21.831 -7.628 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.689 -20.482 -7.862 1.00 0.00 H new ATOM 406 N LEU A 33 -6.661 -22.073 -9.623 1.00 0.00 N ATOM 407 CA LEU A 33 -7.252 -22.753 -10.769 1.00 0.00 C ATOM 408 C LEU A 33 -7.518 -21.779 -11.910 1.00 0.00 C ATOM 409 O LEU A 33 -7.664 -20.577 -11.692 1.00 0.00 O ATOM 410 CB LEU A 33 -8.561 -23.441 -10.361 1.00 0.00 C ATOM 411 CG LEU A 33 -8.427 -24.562 -9.322 1.00 0.00 C ATOM 412 CD1 LEU A 33 -9.810 -25.076 -8.948 1.00 0.00 C ATOM 413 CD2 LEU A 33 -7.563 -25.679 -9.889 1.00 0.00 C ATOM 0 H LEU A 33 -7.302 -21.929 -8.843 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.541 -23.503 -11.115 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.240 -22.685 -9.967 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.027 -23.854 -11.256 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.947 -24.180 -8.421 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.715 -25.872 -8.210 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.400 -24.261 -8.529 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.307 -25.463 -9.837 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.468 -26.476 -9.151 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.027 -26.075 -10.792 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.575 -25.288 -10.130 1.00 0.00 H new ATOM 425 N PRO A 34 -7.579 -22.306 -13.129 1.00 0.00 N ATOM 426 CA PRO A 34 -7.858 -21.489 -14.303 1.00 0.00 C ATOM 427 C PRO A 34 -9.153 -20.704 -14.134 1.00 0.00 C ATOM 428 O PRO A 34 -9.285 -19.589 -14.640 1.00 0.00 O ATOM 429 CB PRO A 34 -7.969 -22.525 -15.426 1.00 0.00 C ATOM 430 CG PRO A 34 -7.107 -23.652 -14.969 1.00 0.00 C ATOM 431 CD PRO A 34 -7.337 -23.721 -13.483 1.00 0.00 C ATOM 0 HA PRO A 34 -7.095 -20.735 -14.495 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -9.000 -22.846 -15.571 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -7.624 -22.120 -16.377 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -7.383 -24.587 -15.458 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -6.058 -23.469 -15.201 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -8.189 -24.353 -13.233 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -6.473 -24.129 -12.957 1.00 0.00 H new ATOM 439 N HIS A 35 -10.106 -21.291 -13.418 1.00 0.00 N ATOM 440 CA HIS A 35 -11.411 -20.672 -13.226 1.00 0.00 C ATOM 441 C HIS A 35 -11.431 -19.807 -11.972 1.00 0.00 C ATOM 442 O HIS A 35 -12.382 -19.063 -11.734 1.00 0.00 O ATOM 443 CB HIS A 35 -12.508 -21.738 -13.135 1.00 0.00 C ATOM 444 CG HIS A 35 -12.661 -22.552 -14.382 1.00 0.00 C ATOM 445 ND1 HIS A 35 -13.211 -22.042 -15.540 1.00 0.00 N ATOM 446 CD2 HIS A 35 -12.337 -23.838 -14.653 1.00 0.00 C ATOM 447 CE1 HIS A 35 -13.217 -22.982 -16.470 1.00 0.00 C ATOM 448 NE2 HIS A 35 -12.693 -24.080 -15.956 1.00 0.00 N ATOM 0 H HIS A 35 -9.998 -22.196 -12.961 1.00 0.00 H new ATOM 0 HA HIS A 35 -11.603 -20.036 -14.090 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -12.286 -22.405 -12.302 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -13.457 -21.252 -12.910 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -11.883 -24.542 -13.971 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -13.587 -22.871 -17.478 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -12.572 -24.965 -16.448 1.00 0.00 H new ATOM 455 N GLU A 36 -10.374 -19.908 -11.173 1.00 0.00 N ATOM 456 CA GLU A 36 -10.260 -19.121 -9.951 1.00 0.00 C ATOM 457 C GLU A 36 -9.022 -18.234 -9.981 1.00 0.00 C ATOM 458 O GLU A 36 -8.044 -18.492 -9.279 1.00 0.00 O ATOM 459 CB GLU A 36 -10.211 -20.040 -8.727 1.00 0.00 C ATOM 460 CG GLU A 36 -11.476 -20.857 -8.504 1.00 0.00 C ATOM 461 CD GLU A 36 -11.377 -21.776 -7.318 1.00 0.00 C ATOM 462 OE1 GLU A 36 -10.403 -21.697 -6.609 1.00 0.00 O ATOM 463 OE2 GLU A 36 -12.276 -22.558 -7.122 1.00 0.00 O1- ATOM 0 H GLU A 36 -9.584 -20.528 -11.350 1.00 0.00 H new ATOM 0 HA GLU A 36 -11.140 -18.481 -9.884 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.367 -20.721 -8.833 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -10.023 -19.435 -7.840 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -12.319 -20.181 -8.364 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -11.684 -21.446 -9.397 1.00 0.00 H new ATOM 470 N ARG A 37 -9.070 -17.187 -10.798 1.00 0.00 N ATOM 471 CA ARG A 37 -7.910 -16.332 -11.017 1.00 0.00 C ATOM 472 C ARG A 37 -7.593 -15.506 -9.777 1.00 0.00 C ATOM 473 O ARG A 37 -8.228 -14.483 -9.522 1.00 0.00 O ATOM 474 CB ARG A 37 -8.146 -15.401 -12.196 1.00 0.00 C ATOM 475 CG ARG A 37 -6.958 -14.530 -12.572 1.00 0.00 C ATOM 476 CD ARG A 37 -7.286 -13.602 -13.684 1.00 0.00 C ATOM 477 NE ARG A 37 -7.511 -14.311 -14.933 1.00 0.00 N ATOM 478 CZ ARG A 37 -6.538 -14.678 -15.790 1.00 0.00 C ATOM 479 NH1 ARG A 37 -5.283 -14.396 -15.520 1.00 0.00 N1+ ATOM 480 NH2 ARG A 37 -6.846 -15.322 -16.903 1.00 0.00 N ATOM 0 H ARG A 37 -9.901 -16.910 -11.320 1.00 0.00 H new ATOM 0 HA ARG A 37 -7.061 -16.981 -11.233 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -8.428 -16.000 -13.062 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.993 -14.755 -11.966 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -6.638 -13.956 -11.702 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -6.120 -15.164 -12.862 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -8.176 -13.028 -13.427 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -6.472 -12.888 -13.813 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.473 -14.547 -15.178 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -5.045 -13.899 -14.661 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -4.547 -14.674 -16.169 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -7.820 -15.541 -17.113 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -6.110 -15.600 -17.552 1.00 0.00 H new ATOM 494 N LEU A 38 -6.606 -15.956 -9.009 1.00 0.00 N ATOM 495 CA LEU A 38 -6.140 -15.210 -7.846 1.00 0.00 C ATOM 496 C LEU A 38 -4.801 -14.538 -8.123 1.00 0.00 C ATOM 497 O LEU A 38 -4.129 -14.853 -9.104 1.00 0.00 O ATOM 498 CB LEU A 38 -6.010 -16.143 -6.636 1.00 0.00 C ATOM 499 CG LEU A 38 -7.275 -16.925 -6.259 1.00 0.00 C ATOM 500 CD1 LEU A 38 -6.965 -17.869 -5.105 1.00 0.00 C ATOM 501 CD2 LEU A 38 -8.382 -15.951 -5.887 1.00 0.00 C ATOM 0 H LEU A 38 -6.113 -16.834 -9.171 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.875 -14.435 -7.629 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.210 -16.856 -6.835 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.702 -15.550 -5.775 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.612 -17.520 -7.108 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.864 -18.424 -4.838 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.183 -18.567 -5.406 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.625 -17.293 -4.245 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.281 -16.507 -5.619 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.064 -15.345 -5.039 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.596 -15.302 -6.736 1.00 0.00 H new ATOM 513 N PHE A 39 -4.419 -13.611 -7.251 1.00 0.00 N ATOM 514 CA PHE A 39 -3.137 -12.928 -7.372 1.00 0.00 C ATOM 515 C PHE A 39 -2.373 -12.952 -6.054 1.00 0.00 C ATOM 516 O PHE A 39 -2.965 -12.835 -4.981 1.00 0.00 O ATOM 517 CB PHE A 39 -3.342 -11.480 -7.821 1.00 0.00 C ATOM 518 CG PHE A 39 -3.980 -11.350 -9.175 1.00 0.00 C ATOM 519 CD1 PHE A 39 -5.358 -11.263 -9.302 1.00 0.00 C ATOM 520 CD2 PHE A 39 -3.204 -11.317 -10.324 1.00 0.00 C ATOM 521 CE1 PHE A 39 -5.947 -11.144 -10.548 1.00 0.00 C ATOM 522 CE2 PHE A 39 -3.789 -11.196 -11.569 1.00 0.00 C ATOM 523 CZ PHE A 39 -5.162 -11.110 -11.681 1.00 0.00 C ATOM 0 H PHE A 39 -4.980 -13.315 -6.452 1.00 0.00 H new ATOM 0 HA PHE A 39 -2.550 -13.458 -8.122 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.962 -10.966 -7.087 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.377 -10.973 -7.834 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.978 -11.288 -8.418 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.129 -11.387 -10.244 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.022 -11.078 -10.633 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -3.172 -11.169 -12.455 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.621 -11.016 -12.654 1.00 0.00 H new ATOM 533 N THR A 40 -1.056 -13.105 -6.141 1.00 0.00 N ATOM 534 CA THR A 40 -0.206 -13.116 -4.957 1.00 0.00 C ATOM 535 C THR A 40 0.955 -12.141 -5.104 1.00 0.00 C ATOM 536 O THR A 40 1.767 -12.261 -6.022 1.00 0.00 O ATOM 537 CB THR A 40 0.337 -14.529 -4.677 1.00 0.00 C ATOM 538 OG1 THR A 40 -0.757 -15.435 -4.482 1.00 0.00 O ATOM 539 CG2 THR A 40 1.216 -14.527 -3.436 1.00 0.00 C ATOM 0 H THR A 40 -0.554 -13.223 -7.021 1.00 0.00 H new ATOM 0 HA THR A 40 -0.822 -12.803 -4.114 1.00 0.00 H new ATOM 0 HB THR A 40 0.934 -14.848 -5.532 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.410 -16.334 -4.306 1.00 0.00 H new ATOM 0 HG21 THR A 40 1.591 -15.534 -3.254 1.00 0.00 H new ATOM 0 HG22 THR A 40 2.056 -13.849 -3.586 1.00 0.00 H new ATOM 0 HG23 THR A 40 0.632 -14.196 -2.577 1.00 0.00 H new ATOM 547 N ILE A 41 1.029 -11.175 -4.195 1.00 0.00 N ATOM 548 CA ILE A 41 2.005 -10.097 -4.300 1.00 0.00 C ATOM 549 C ILE A 41 2.866 -10.008 -3.047 1.00 0.00 C ATOM 550 O ILE A 41 2.350 -9.959 -1.930 1.00 0.00 O ATOM 551 CB ILE A 41 1.306 -8.746 -4.540 1.00 0.00 C ATOM 552 CG1 ILE A 41 0.535 -8.771 -5.863 1.00 0.00 C ATOM 553 CG2 ILE A 41 2.321 -7.613 -4.533 1.00 0.00 C ATOM 554 CD1 ILE A 41 -0.258 -7.513 -6.132 1.00 0.00 C ATOM 0 H ILE A 41 0.424 -11.117 -3.376 1.00 0.00 H new ATOM 0 HA ILE A 41 2.648 -10.323 -5.151 1.00 0.00 H new ATOM 0 HB ILE A 41 0.596 -8.575 -3.731 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.239 -8.927 -6.680 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.144 -9.624 -5.861 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.810 -6.666 -4.704 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.827 -7.583 -3.568 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.055 -7.777 -5.322 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.776 -7.607 -7.086 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.988 -7.366 -5.336 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.417 -6.658 -6.168 1.00 0.00 H new ATOM 566 N ALA A 42 4.180 -9.989 -3.238 1.00 0.00 N ATOM 567 CA ALA A 42 5.114 -9.831 -2.129 1.00 0.00 C ATOM 568 C ALA A 42 5.657 -8.409 -2.065 1.00 0.00 C ATOM 569 O ALA A 42 5.854 -7.762 -3.094 1.00 0.00 O ATOM 570 CB ALA A 42 6.256 -10.829 -2.252 1.00 0.00 C ATOM 0 H ALA A 42 4.623 -10.081 -4.152 1.00 0.00 H new ATOM 0 HA ALA A 42 4.573 -10.027 -1.203 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.945 -10.699 -1.417 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.856 -11.843 -2.238 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.786 -10.661 -3.189 1.00 0.00 H new ATOM 576 N CYS A 43 5.898 -7.927 -0.851 1.00 0.00 N ATOM 577 CA CYS A 43 6.394 -6.571 -0.649 1.00 0.00 C ATOM 578 C CYS A 43 7.638 -6.565 0.230 1.00 0.00 C ATOM 579 O CYS A 43 7.616 -7.059 1.358 1.00 0.00 O ATOM 580 CB CYS A 43 5.318 -5.695 -0.006 1.00 0.00 C ATOM 581 SG CYS A 43 5.812 -3.970 0.225 1.00 0.00 S ATOM 0 H CYS A 43 5.758 -8.456 0.010 1.00 0.00 H new ATOM 0 HA CYS A 43 6.653 -6.168 -1.628 1.00 0.00 H new ATOM 0 HB2 CYS A 43 4.422 -5.725 -0.626 1.00 0.00 H new ATOM 0 HB3 CYS A 43 5.051 -6.118 0.962 1.00 0.00 H new ATOM 0 HG CYS A 43 5.860 -3.699 1.495 1.00 0.00 H new ATOM 587 N SER A 44 8.723 -6.004 -0.293 1.00 0.00 N ATOM 588 CA SER A 44 9.986 -5.955 0.434 1.00 0.00 C ATOM 589 C SER A 44 10.364 -4.522 0.787 1.00 0.00 C ATOM 590 O SER A 44 10.126 -3.598 0.010 1.00 0.00 O ATOM 591 CB SER A 44 11.088 -6.589 -0.393 1.00 0.00 C ATOM 592 OG SER A 44 12.332 -6.448 0.236 1.00 0.00 O ATOM 0 H SER A 44 8.753 -5.576 -1.219 1.00 0.00 H new ATOM 0 HA SER A 44 9.862 -6.514 1.362 1.00 0.00 H new ATOM 0 HB2 SER A 44 10.871 -7.646 -0.545 1.00 0.00 H new ATOM 0 HB3 SER A 44 11.120 -6.125 -1.379 1.00 0.00 H new ATOM 0 HG SER A 44 12.227 -6.578 1.202 1.00 0.00 H new ATOM 598 N ILE A 45 10.955 -4.344 1.964 1.00 0.00 N ATOM 599 CA ILE A 45 11.341 -3.019 2.434 1.00 0.00 C ATOM 600 C ILE A 45 12.444 -3.107 3.482 1.00 0.00 C ATOM 601 O ILE A 45 12.390 -3.941 4.385 1.00 0.00 O ATOM 602 CB ILE A 45 10.132 -2.270 3.022 1.00 0.00 C ATOM 603 CG1 ILE A 45 10.507 -0.823 3.349 1.00 0.00 C ATOM 604 CG2 ILE A 45 9.617 -2.983 4.263 1.00 0.00 C ATOM 605 CD1 ILE A 45 9.321 0.061 3.658 1.00 0.00 C ATOM 0 H ILE A 45 11.177 -5.101 2.610 1.00 0.00 H new ATOM 0 HA ILE A 45 11.717 -2.466 1.573 1.00 0.00 H new ATOM 0 HB ILE A 45 9.336 -2.259 2.277 1.00 0.00 H new ATOM 0 HG12 ILE A 45 11.184 -0.817 4.203 1.00 0.00 H new ATOM 0 HG13 ILE A 45 11.053 -0.400 2.506 1.00 0.00 H new ATOM 0 HG21 ILE A 45 8.762 -2.440 4.666 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.313 -3.996 4.001 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.407 -3.024 5.013 1.00 0.00 H new ATOM 0 HD11 ILE A 45 9.668 1.070 3.880 1.00 0.00 H new ATOM 0 HD12 ILE A 45 8.653 0.087 2.797 1.00 0.00 H new ATOM 0 HD13 ILE A 45 8.786 -0.336 4.520 1.00 0.00 H new ATOM 617 N LEU A 46 13.444 -2.241 3.355 1.00 0.00 N ATOM 618 CA LEU A 46 14.543 -2.195 4.312 1.00 0.00 C ATOM 619 C LEU A 46 15.259 -3.537 4.394 1.00 0.00 C ATOM 620 O LEU A 46 16.127 -3.839 3.576 1.00 0.00 O ATOM 621 CB LEU A 46 14.021 -1.801 5.700 1.00 0.00 C ATOM 622 CG LEU A 46 15.082 -1.685 6.801 1.00 0.00 C ATOM 623 CD1 LEU A 46 16.026 -0.534 6.478 1.00 0.00 C ATOM 624 CD2 LEU A 46 14.400 -1.471 8.144 1.00 0.00 C ATOM 0 H LEU A 46 13.516 -1.561 2.598 1.00 0.00 H new ATOM 0 HA LEU A 46 15.256 -1.446 3.967 1.00 0.00 H new ATOM 0 HB2 LEU A 46 13.505 -0.845 5.616 1.00 0.00 H new ATOM 0 HB3 LEU A 46 13.280 -2.537 6.011 1.00 0.00 H new ATOM 0 HG LEU A 46 15.665 -2.604 6.854 1.00 0.00 H new ATOM 0 HD11 LEU A 46 16.780 -0.451 7.261 1.00 0.00 H new ATOM 0 HD12 LEU A 46 16.514 -0.721 5.522 1.00 0.00 H new ATOM 0 HD13 LEU A 46 15.460 0.396 6.420 1.00 0.00 H new ATOM 0 HD21 LEU A 46 15.155 -1.389 8.926 1.00 0.00 H new ATOM 0 HD22 LEU A 46 13.810 -0.555 8.111 1.00 0.00 H new ATOM 0 HD23 LEU A 46 13.746 -2.316 8.359 1.00 0.00 H new ATOM 636 N ASN A 47 14.889 -4.339 5.387 1.00 0.00 N ATOM 637 CA ASN A 47 15.508 -5.643 5.588 1.00 0.00 C ATOM 638 C ASN A 47 14.468 -6.756 5.568 1.00 0.00 C ATOM 639 O ASN A 47 14.808 -7.938 5.623 1.00 0.00 O ATOM 640 CB ASN A 47 16.291 -5.668 6.889 1.00 0.00 C ATOM 641 CG ASN A 47 17.511 -4.791 6.845 1.00 0.00 C ATOM 642 OD1 ASN A 47 18.137 -4.629 5.791 1.00 0.00 O ATOM 643 ND2 ASN A 47 17.862 -4.221 7.970 1.00 0.00 N ATOM 0 H ASN A 47 14.163 -4.108 6.065 1.00 0.00 H new ATOM 0 HA ASN A 47 16.200 -5.816 4.763 1.00 0.00 H new ATOM 0 HB2 ASN A 47 15.644 -5.344 7.704 1.00 0.00 H new ATOM 0 HB3 ASN A 47 16.592 -6.692 7.108 1.00 0.00 H new ATOM 0 HD21 ASN A 47 18.682 -3.615 8.001 1.00 0.00 H new ATOM 0 HD22 ASN A 47 17.316 -4.383 8.816 1.00 0.00 H new ATOM 650 N TYR A 48 13.199 -6.371 5.488 1.00 0.00 N ATOM 651 CA TYR A 48 12.100 -7.302 5.717 1.00 0.00 C ATOM 652 C TYR A 48 11.316 -7.553 4.435 1.00 0.00 C ATOM 653 O TYR A 48 11.495 -6.853 3.439 1.00 0.00 O ATOM 654 CB TYR A 48 11.172 -6.775 6.813 1.00 0.00 C ATOM 655 CG TYR A 48 11.862 -6.545 8.139 1.00 0.00 C ATOM 656 CD1 TYR A 48 12.405 -5.302 8.431 1.00 0.00 C ATOM 657 CD2 TYR A 48 11.953 -7.576 9.062 1.00 0.00 C ATOM 658 CE1 TYR A 48 13.035 -5.091 9.642 1.00 0.00 C ATOM 659 CE2 TYR A 48 12.584 -7.365 10.273 1.00 0.00 C ATOM 660 CZ TYR A 48 13.123 -6.129 10.564 1.00 0.00 C ATOM 661 OH TYR A 48 13.751 -5.919 11.770 1.00 0.00 O ATOM 0 H TYR A 48 12.906 -5.420 5.266 1.00 0.00 H new ATOM 0 HA TYR A 48 12.526 -8.250 6.044 1.00 0.00 H new ATOM 0 HB2 TYR A 48 10.726 -5.838 6.479 1.00 0.00 H new ATOM 0 HB3 TYR A 48 10.356 -7.483 6.957 1.00 0.00 H new ATOM 0 HD1 TYR A 48 12.335 -4.500 7.712 1.00 0.00 H new ATOM 0 HD2 TYR A 48 11.531 -8.544 8.834 1.00 0.00 H new ATOM 0 HE1 TYR A 48 13.458 -4.124 9.872 1.00 0.00 H new ATOM 0 HE2 TYR A 48 12.655 -8.168 10.992 1.00 0.00 H new ATOM 0 HH TYR A 48 13.726 -6.743 12.300 1.00 0.00 H new ATOM 671 N ARG A 49 10.445 -8.556 4.468 1.00 0.00 N ATOM 672 CA ARG A 49 9.604 -8.878 3.321 1.00 0.00 C ATOM 673 C ARG A 49 8.389 -9.694 3.741 1.00 0.00 C ATOM 674 O ARG A 49 8.514 -10.696 4.445 1.00 0.00 O ATOM 675 CB ARG A 49 10.396 -9.653 2.278 1.00 0.00 C ATOM 676 CG ARG A 49 9.662 -9.897 0.969 1.00 0.00 C ATOM 677 CD ARG A 49 10.543 -10.530 -0.046 1.00 0.00 C ATOM 678 NE ARG A 49 9.787 -11.045 -1.176 1.00 0.00 N ATOM 679 CZ ARG A 49 10.280 -11.198 -2.420 1.00 0.00 C ATOM 680 NH1 ARG A 49 11.527 -10.872 -2.678 1.00 0.00 N1+ ATOM 681 NH2 ARG A 49 9.510 -11.676 -3.382 1.00 0.00 N ATOM 0 H ARG A 49 10.303 -9.160 5.277 1.00 0.00 H new ATOM 0 HA ARG A 49 9.262 -7.937 2.891 1.00 0.00 H new ATOM 0 HB2 ARG A 49 11.317 -9.111 2.066 1.00 0.00 H new ATOM 0 HB3 ARG A 49 10.683 -10.615 2.702 1.00 0.00 H new ATOM 0 HG2 ARG A 49 8.798 -10.536 1.150 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.283 -8.951 0.583 1.00 0.00 H new ATOM 0 HD2 ARG A 49 11.272 -9.801 -0.399 1.00 0.00 H new ATOM 0 HD3 ARG A 49 11.103 -11.343 0.416 1.00 0.00 H new ATOM 0 HE ARG A 49 8.815 -11.309 -1.015 1.00 0.00 H new ATOM 0 HH11 ARG A 49 12.122 -10.503 -1.936 1.00 0.00 H new ATOM 0 HH12 ARG A 49 11.900 -10.988 -3.620 1.00 0.00 H new ATOM 0 HH21 ARG A 49 8.542 -11.929 -3.182 1.00 0.00 H new ATOM 0 HH22 ARG A 49 9.883 -11.792 -4.324 1.00 0.00 H new ATOM 695 N GLU A 50 7.211 -9.259 3.304 1.00 0.00 N ATOM 696 CA GLU A 50 5.974 -9.970 3.602 1.00 0.00 C ATOM 697 C GLU A 50 5.093 -10.085 2.365 1.00 0.00 C ATOM 698 O GLU A 50 5.124 -9.223 1.487 1.00 0.00 O ATOM 699 CB GLU A 50 5.208 -9.262 4.721 1.00 0.00 C ATOM 700 CG GLU A 50 5.919 -9.262 6.067 1.00 0.00 C ATOM 701 CD GLU A 50 5.966 -10.623 6.704 1.00 0.00 C ATOM 702 OE1 GLU A 50 4.965 -11.299 6.692 1.00 0.00 O ATOM 703 OE2 GLU A 50 7.004 -10.988 7.203 1.00 0.00 O1- ATOM 0 H GLU A 50 7.088 -8.417 2.742 1.00 0.00 H new ATOM 0 HA GLU A 50 6.239 -10.975 3.930 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.023 -8.230 4.422 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.235 -9.740 4.838 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.936 -8.893 5.935 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.413 -8.569 6.739 1.00 0.00 H new ATOM 710 N MET A 51 4.307 -11.155 2.301 1.00 0.00 N ATOM 711 CA MET A 51 3.563 -11.488 1.092 1.00 0.00 C ATOM 712 C MET A 51 2.089 -11.719 1.398 1.00 0.00 C ATOM 713 O MET A 51 1.745 -12.369 2.386 1.00 0.00 O ATOM 714 CB MET A 51 4.168 -12.721 0.423 1.00 0.00 C ATOM 715 CG MET A 51 3.435 -13.182 -0.829 1.00 0.00 C ATOM 716 SD MET A 51 4.282 -14.532 -1.673 1.00 0.00 S ATOM 717 CE MET A 51 3.948 -15.892 -0.557 1.00 0.00 C ATOM 0 H MET A 51 4.169 -11.807 3.073 1.00 0.00 H new ATOM 0 HA MET A 51 3.634 -10.643 0.407 1.00 0.00 H new ATOM 0 HB2 MET A 51 5.205 -12.506 0.164 1.00 0.00 H new ATOM 0 HB3 MET A 51 4.182 -13.539 1.143 1.00 0.00 H new ATOM 0 HG2 MET A 51 2.429 -13.502 -0.559 1.00 0.00 H new ATOM 0 HG3 MET A 51 3.329 -12.341 -1.514 1.00 0.00 H new ATOM 0 HE1 MET A 51 4.300 -16.823 -1.002 1.00 0.00 H new ATOM 0 HE2 MET A 51 4.465 -15.723 0.387 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.875 -15.959 -0.376 1.00 0.00 H new ATOM 727 N GLY A 52 1.222 -11.184 0.546 1.00 0.00 N ATOM 728 CA GLY A 52 -0.214 -11.395 0.681 1.00 0.00 C ATOM 729 C GLY A 52 -0.834 -11.826 -0.642 1.00 0.00 C ATOM 730 O GLY A 52 -0.179 -11.799 -1.684 1.00 0.00 O ATOM 0 H GLY A 52 1.489 -10.600 -0.247 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.403 -12.155 1.439 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.688 -10.476 1.026 1.00 0.00 H new ATOM 734 N LYS A 53 -2.101 -12.224 -0.595 1.00 0.00 N ATOM 735 CA LYS A 53 -2.798 -12.706 -1.781 1.00 0.00 C ATOM 736 C LYS A 53 -4.297 -12.455 -1.679 1.00 0.00 C ATOM 737 O LYS A 53 -4.831 -12.258 -0.588 1.00 0.00 O ATOM 738 CB LYS A 53 -2.527 -14.196 -1.993 1.00 0.00 C ATOM 739 CG LYS A 53 -3.074 -15.097 -0.893 1.00 0.00 C ATOM 740 CD LYS A 53 -2.754 -16.559 -1.167 1.00 0.00 C ATOM 741 CE LYS A 53 -3.308 -17.462 -0.074 1.00 0.00 C ATOM 742 NZ LYS A 53 -3.045 -18.900 -0.353 1.00 0.00 N1+ ATOM 0 H LYS A 53 -2.667 -12.222 0.254 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.418 -12.152 -2.639 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.962 -14.500 -2.945 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.451 -14.350 -2.070 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.648 -14.803 0.066 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.153 -14.967 -0.816 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.174 -16.851 -2.130 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.674 -16.690 -1.237 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.861 -17.190 0.882 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -4.382 -17.301 0.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.438 -19.480 0.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.493 -19.167 -1.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.019 -19.059 -0.417 1.00 0.00 H new ATOM 756 N GLY A 54 -4.972 -12.464 -2.824 1.00 0.00 N ATOM 757 CA GLY A 54 -6.408 -12.215 -2.868 1.00 0.00 C ATOM 758 C GLY A 54 -6.966 -12.455 -4.265 1.00 0.00 C ATOM 759 O GLY A 54 -6.325 -13.095 -5.098 1.00 0.00 O ATOM 0 H GLY A 54 -4.547 -12.641 -3.734 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.915 -12.865 -2.155 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.611 -11.188 -2.564 1.00 0.00 H new ATOM 763 N LYS A 55 -8.164 -11.937 -4.515 1.00 0.00 N ATOM 764 CA LYS A 55 -8.843 -12.157 -5.787 1.00 0.00 C ATOM 765 C LYS A 55 -8.419 -11.123 -6.823 1.00 0.00 C ATOM 766 O LYS A 55 -8.762 -11.234 -8.000 1.00 0.00 O ATOM 767 CB LYS A 55 -10.360 -12.119 -5.597 1.00 0.00 C ATOM 768 CG LYS A 55 -10.914 -13.244 -4.732 1.00 0.00 C ATOM 769 CD LYS A 55 -12.420 -13.118 -4.560 1.00 0.00 C ATOM 770 CE LYS A 55 -12.977 -14.249 -3.707 1.00 0.00 C ATOM 771 NZ LYS A 55 -14.453 -14.148 -3.544 1.00 0.00 N1+ ATOM 0 H LYS A 55 -8.685 -11.362 -3.853 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.556 -13.143 -6.152 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.634 -11.164 -5.149 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.838 -12.161 -6.576 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -10.677 -14.206 -5.187 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.431 -13.226 -3.755 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.656 -12.160 -4.096 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.902 -13.126 -5.538 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -12.727 -15.206 -4.165 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.502 -14.232 -2.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -14.792 -14.937 -2.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -14.691 -13.246 -3.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -14.909 -14.190 -4.478 1.00 0.00 H new ATOM 785 N SER A 56 -7.671 -10.119 -6.378 1.00 0.00 N ATOM 786 CA SER A 56 -7.194 -9.067 -7.267 1.00 0.00 C ATOM 787 C SER A 56 -5.800 -8.599 -6.868 1.00 0.00 C ATOM 788 O SER A 56 -5.342 -8.859 -5.756 1.00 0.00 O ATOM 789 CB SER A 56 -8.155 -7.894 -7.251 1.00 0.00 C ATOM 790 OG SER A 56 -8.117 -7.231 -6.017 1.00 0.00 O ATOM 0 H SER A 56 -7.382 -10.012 -5.406 1.00 0.00 H new ATOM 0 HA SER A 56 -7.141 -9.477 -8.275 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.899 -7.198 -8.050 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.168 -8.246 -7.448 1.00 0.00 H new ATOM 0 HG SER A 56 -8.743 -6.477 -6.031 1.00 0.00 H new ATOM 796 N LYS A 57 -5.130 -7.906 -7.783 1.00 0.00 N ATOM 797 CA LYS A 57 -3.826 -7.320 -7.496 1.00 0.00 C ATOM 798 C LYS A 57 -3.926 -6.265 -6.401 1.00 0.00 C ATOM 799 O LYS A 57 -3.026 -6.132 -5.571 1.00 0.00 O ATOM 800 CB LYS A 57 -3.224 -6.708 -8.762 1.00 0.00 C ATOM 801 CG LYS A 57 -2.793 -7.726 -9.809 1.00 0.00 C ATOM 802 CD LYS A 57 -2.208 -7.044 -11.036 1.00 0.00 C ATOM 803 CE LYS A 57 -1.824 -8.057 -12.104 1.00 0.00 C ATOM 804 NZ LYS A 57 -1.266 -7.402 -13.318 1.00 0.00 N1+ ATOM 0 H LYS A 57 -5.469 -7.737 -8.730 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.172 -8.117 -7.143 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -3.955 -6.034 -9.208 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.361 -6.103 -8.484 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.054 -8.402 -9.379 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.649 -8.334 -10.102 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.934 -6.341 -11.444 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.330 -6.465 -10.749 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.090 -8.752 -11.697 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.700 -8.644 -12.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.017 -8.127 -14.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.975 -6.758 -13.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.415 -6.863 -13.061 1.00 0.00 H new ATOM 818 N LYS A 58 -5.024 -5.518 -6.404 1.00 0.00 N ATOM 819 CA LYS A 58 -5.271 -4.515 -5.375 1.00 0.00 C ATOM 820 C LYS A 58 -5.298 -5.143 -3.988 1.00 0.00 C ATOM 821 O LYS A 58 -4.631 -4.670 -3.068 1.00 0.00 O ATOM 822 CB LYS A 58 -6.586 -3.782 -5.646 1.00 0.00 C ATOM 823 CG LYS A 58 -6.924 -2.698 -4.631 1.00 0.00 C ATOM 824 CD LYS A 58 -8.210 -1.975 -5.001 1.00 0.00 C ATOM 825 CE LYS A 58 -8.578 -0.930 -3.959 1.00 0.00 C ATOM 826 NZ LYS A 58 -9.843 -0.225 -4.300 1.00 0.00 N1+ ATOM 0 H LYS A 58 -5.758 -5.588 -7.109 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.452 -3.796 -5.407 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.539 -3.332 -6.638 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -7.397 -4.511 -5.665 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.026 -3.143 -3.641 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.105 -1.981 -4.575 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.093 -1.496 -5.973 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.021 -2.697 -5.097 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.681 -1.409 -2.985 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.770 -0.204 -3.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.058 0.478 -3.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -9.737 0.254 -5.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -10.620 -0.914 -4.357 1.00 0.00 H new ATOM 840 N ILE A 59 -6.074 -6.213 -3.843 1.00 0.00 N ATOM 841 CA ILE A 59 -6.204 -6.897 -2.563 1.00 0.00 C ATOM 842 C ILE A 59 -4.866 -7.458 -2.099 1.00 0.00 C ATOM 843 O ILE A 59 -4.445 -7.230 -0.965 1.00 0.00 O ATOM 844 CB ILE A 59 -7.237 -8.036 -2.651 1.00 0.00 C ATOM 845 CG1 ILE A 59 -8.640 -7.468 -2.875 1.00 0.00 C ATOM 846 CG2 ILE A 59 -7.198 -8.887 -1.391 1.00 0.00 C ATOM 847 CD1 ILE A 59 -9.666 -8.509 -3.261 1.00 0.00 C ATOM 0 H ILE A 59 -6.623 -6.625 -4.598 1.00 0.00 H new ATOM 0 HA ILE A 59 -6.546 -6.161 -1.836 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.983 -8.670 -3.501 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -8.969 -6.968 -1.964 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.594 -6.710 -3.656 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.934 -9.687 -1.469 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.204 -9.318 -1.274 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -7.428 -8.266 -0.525 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -10.635 -8.030 -3.402 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -9.362 -8.993 -4.189 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -9.742 -9.255 -2.470 1.00 0.00 H new ATOM 859 N ALA A 60 -4.201 -8.194 -2.983 1.00 0.00 N ATOM 860 CA ALA A 60 -2.926 -8.820 -2.655 1.00 0.00 C ATOM 861 C ALA A 60 -1.885 -7.777 -2.267 1.00 0.00 C ATOM 862 O ALA A 60 -1.137 -7.961 -1.307 1.00 0.00 O ATOM 863 CB ALA A 60 -2.427 -9.654 -3.826 1.00 0.00 C ATOM 0 H ALA A 60 -4.525 -8.372 -3.934 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.084 -9.475 -1.798 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.474 -10.115 -3.565 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.155 -10.432 -4.055 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.294 -9.014 -4.698 1.00 0.00 H new ATOM 869 N LYS A 61 -1.842 -6.683 -3.019 1.00 0.00 N ATOM 870 CA LYS A 61 -0.869 -5.624 -2.776 1.00 0.00 C ATOM 871 C LYS A 61 -1.100 -4.963 -1.424 1.00 0.00 C ATOM 872 O LYS A 61 -0.162 -4.760 -0.653 1.00 0.00 O ATOM 873 CB LYS A 61 -0.928 -4.578 -3.890 1.00 0.00 C ATOM 874 CG LYS A 61 0.125 -3.483 -3.781 1.00 0.00 C ATOM 875 CD LYS A 61 0.055 -2.528 -4.963 1.00 0.00 C ATOM 876 CE LYS A 61 1.094 -1.422 -4.845 1.00 0.00 C ATOM 877 NZ LYS A 61 1.027 -0.472 -5.988 1.00 0.00 N1+ ATOM 0 H LYS A 61 -2.470 -6.506 -3.803 1.00 0.00 H new ATOM 0 HA LYS A 61 0.122 -6.077 -2.768 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.814 -5.081 -4.850 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.916 -4.117 -3.887 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.019 -2.928 -2.854 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.117 -3.933 -3.733 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.213 -3.081 -5.889 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.941 -2.089 -5.020 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.941 -0.879 -3.912 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.090 -1.863 -4.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.751 0.265 -5.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.198 -0.985 -6.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.085 -0.031 -6.018 1.00 0.00 H new ATOM 891 N ARG A 62 -2.355 -4.629 -1.141 1.00 0.00 N ATOM 892 CA ARG A 62 -2.710 -3.978 0.114 1.00 0.00 C ATOM 893 C ARG A 62 -2.403 -4.875 1.306 1.00 0.00 C ATOM 894 O ARG A 62 -1.916 -4.410 2.337 1.00 0.00 O ATOM 895 CB ARG A 62 -4.186 -3.609 0.128 1.00 0.00 C ATOM 896 CG ARG A 62 -4.565 -2.452 -0.782 1.00 0.00 C ATOM 897 CD ARG A 62 -6.037 -2.273 -0.861 1.00 0.00 C ATOM 898 NE ARG A 62 -6.603 -1.864 0.415 1.00 0.00 N ATOM 899 CZ ARG A 62 -7.920 -1.848 0.698 1.00 0.00 C ATOM 900 NH1 ARG A 62 -8.792 -2.221 -0.212 1.00 0.00 N1+ ATOM 901 NH2 ARG A 62 -8.334 -1.458 1.890 1.00 0.00 N ATOM 0 H ARG A 62 -3.144 -4.799 -1.765 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.110 -3.072 0.193 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.767 -4.485 -0.161 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.473 -3.358 1.149 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.106 -1.534 -0.414 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.166 -2.629 -1.781 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.272 -1.525 -1.619 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.500 -3.207 -1.181 1.00 0.00 H new ATOM 0 HE ARG A 62 -5.957 -1.568 1.147 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -8.471 -2.523 -1.132 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -9.789 -2.209 0.002 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -7.657 -1.169 2.596 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -9.331 -1.446 2.105 1.00 0.00 H new ATOM 915 N LEU A 63 -2.690 -6.164 1.160 1.00 0.00 N ATOM 916 CA LEU A 63 -2.415 -7.135 2.212 1.00 0.00 C ATOM 917 C LEU A 63 -0.917 -7.301 2.430 1.00 0.00 C ATOM 918 O LEU A 63 -0.454 -7.412 3.565 1.00 0.00 O ATOM 919 CB LEU A 63 -3.040 -8.490 1.859 1.00 0.00 C ATOM 920 CG LEU A 63 -4.571 -8.557 1.935 1.00 0.00 C ATOM 921 CD1 LEU A 63 -5.049 -9.896 1.390 1.00 0.00 C ATOM 922 CD2 LEU A 63 -5.016 -8.363 3.377 1.00 0.00 C ATOM 0 H LEU A 63 -3.114 -6.561 0.321 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.858 -6.762 3.136 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.733 -8.759 0.848 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.628 -9.245 2.529 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.009 -7.764 1.330 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.137 -9.943 1.444 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.732 -10.000 0.352 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.621 -10.704 1.983 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.104 -8.410 3.432 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.587 -9.148 3.999 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.677 -7.391 3.735 1.00 0.00 H new ATOM 934 N ALA A 64 -0.163 -7.316 1.336 1.00 0.00 N ATOM 935 CA ALA A 64 1.291 -7.399 1.409 1.00 0.00 C ATOM 936 C ALA A 64 1.873 -6.218 2.176 1.00 0.00 C ATOM 937 O ALA A 64 2.727 -6.390 3.045 1.00 0.00 O ATOM 938 CB ALA A 64 1.888 -7.468 0.011 1.00 0.00 C ATOM 0 H ALA A 64 -0.535 -7.272 0.387 1.00 0.00 H new ATOM 0 HA ALA A 64 1.549 -8.310 1.948 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.974 -7.530 0.082 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.507 -8.350 -0.504 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.611 -6.574 -0.547 1.00 0.00 H new ATOM 944 N ALA A 65 1.405 -5.018 1.848 1.00 0.00 N ATOM 945 CA ALA A 65 1.870 -3.807 2.513 1.00 0.00 C ATOM 946 C ALA A 65 1.451 -3.787 3.977 1.00 0.00 C ATOM 947 O ALA A 65 2.218 -3.374 4.847 1.00 0.00 O ATOM 948 CB ALA A 65 1.343 -2.573 1.795 1.00 0.00 C ATOM 0 H ALA A 65 0.703 -4.859 1.125 1.00 0.00 H new ATOM 0 HA ALA A 65 2.959 -3.799 2.474 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.699 -1.677 2.303 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.699 -2.572 0.765 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.253 -2.586 1.802 1.00 0.00 H new ATOM 954 N HIS A 66 0.229 -4.235 4.244 1.00 0.00 N ATOM 955 CA HIS A 66 -0.269 -4.336 5.611 1.00 0.00 C ATOM 956 C HIS A 66 0.627 -5.231 6.458 1.00 0.00 C ATOM 957 O HIS A 66 1.091 -4.829 7.525 1.00 0.00 O ATOM 958 CB HIS A 66 -1.702 -4.877 5.626 1.00 0.00 C ATOM 959 CG HIS A 66 -2.247 -5.099 7.003 1.00 0.00 C ATOM 960 ND1 HIS A 66 -2.604 -4.060 7.838 1.00 0.00 N ATOM 961 CD2 HIS A 66 -2.494 -6.237 7.692 1.00 0.00 C ATOM 962 CE1 HIS A 66 -3.049 -4.552 8.981 1.00 0.00 C ATOM 963 NE2 HIS A 66 -2.992 -5.870 8.918 1.00 0.00 N ATOM 0 H HIS A 66 -0.436 -4.534 3.531 1.00 0.00 H new ATOM 0 HA HIS A 66 -0.262 -3.333 6.039 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -2.350 -4.179 5.096 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -1.731 -5.818 5.077 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -2.330 -7.246 7.343 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.400 -3.974 9.823 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -3.272 -6.511 9.660 1.00 0.00 H new ATOM 970 N ARG A 67 0.866 -6.446 5.976 1.00 0.00 N ATOM 971 CA ARG A 67 1.736 -7.388 6.671 1.00 0.00 C ATOM 972 C ARG A 67 3.155 -6.846 6.784 1.00 0.00 C ATOM 973 O ARG A 67 3.817 -7.022 7.808 1.00 0.00 O ATOM 974 CB ARG A 67 1.763 -8.725 5.946 1.00 0.00 C ATOM 975 CG ARG A 67 0.464 -9.513 6.008 1.00 0.00 C ATOM 976 CD ARG A 67 0.568 -10.803 5.279 1.00 0.00 C ATOM 977 NE ARG A 67 -0.697 -11.519 5.261 1.00 0.00 N ATOM 978 CZ ARG A 67 -1.168 -12.266 6.279 1.00 0.00 C ATOM 979 NH1 ARG A 67 -0.469 -12.384 7.386 1.00 0.00 N1+ ATOM 980 NH2 ARG A 67 -2.333 -12.880 6.164 1.00 0.00 N ATOM 0 H ARG A 67 0.469 -6.802 5.106 1.00 0.00 H new ATOM 0 HA ARG A 67 1.333 -7.528 7.674 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.015 -8.550 4.900 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.562 -9.335 6.368 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.203 -9.703 7.049 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -0.343 -8.918 5.581 1.00 0.00 H new ATOM 0 HD2 ARG A 67 0.894 -10.616 4.256 1.00 0.00 H new ATOM 0 HD3 ARG A 67 1.330 -11.425 5.748 1.00 0.00 H new ATOM 0 HE ARG A 67 -1.268 -11.451 4.419 1.00 0.00 H new ATOM 0 HH11 ARG A 67 0.430 -11.910 7.475 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -0.826 -12.949 8.156 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -2.875 -12.788 5.305 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -2.690 -13.445 6.934 1.00 0.00 H new ATOM 994 N MET A 68 3.618 -6.188 5.728 1.00 0.00 N ATOM 995 CA MET A 68 4.926 -5.544 5.739 1.00 0.00 C ATOM 996 C MET A 68 5.080 -4.630 6.948 1.00 0.00 C ATOM 997 O MET A 68 6.056 -4.729 7.692 1.00 0.00 O ATOM 998 CB MET A 68 5.139 -4.758 4.447 1.00 0.00 C ATOM 999 CG MET A 68 6.448 -3.984 4.388 1.00 0.00 C ATOM 1000 SD MET A 68 6.451 -2.718 3.103 1.00 0.00 S ATOM 1001 CE MET A 68 5.351 -1.503 3.822 1.00 0.00 C ATOM 0 H MET A 68 3.106 -6.086 4.852 1.00 0.00 H new ATOM 0 HA MET A 68 5.686 -6.323 5.808 1.00 0.00 H new ATOM 0 HB2 MET A 68 5.102 -5.450 3.605 1.00 0.00 H new ATOM 0 HB3 MET A 68 4.312 -4.059 4.321 1.00 0.00 H new ATOM 0 HG2 MET A 68 6.632 -3.515 5.355 1.00 0.00 H new ATOM 0 HG3 MET A 68 7.269 -4.679 4.210 1.00 0.00 H new ATOM 0 HE1 MET A 68 5.505 -0.540 3.335 1.00 0.00 H new ATOM 0 HE2 MET A 68 4.317 -1.820 3.681 1.00 0.00 H new ATOM 0 HE3 MET A 68 5.560 -1.409 4.888 1.00 0.00 H new ATOM 1011 N TRP A 69 4.112 -3.741 7.139 1.00 0.00 N ATOM 1012 CA TRP A 69 4.127 -2.822 8.271 1.00 0.00 C ATOM 1013 C TRP A 69 4.138 -3.578 9.593 1.00 0.00 C ATOM 1014 O TRP A 69 4.913 -3.260 10.495 1.00 0.00 O ATOM 1015 CB TRP A 69 2.914 -1.893 8.220 1.00 0.00 C ATOM 1016 CG TRP A 69 2.900 -0.866 9.311 1.00 0.00 C ATOM 1017 CD1 TRP A 69 2.024 -0.796 10.353 1.00 0.00 C ATOM 1018 CD2 TRP A 69 3.809 0.249 9.476 1.00 0.00 C ATOM 1019 NE1 TRP A 69 2.323 0.281 11.151 1.00 0.00 N ATOM 1020 CE2 TRP A 69 3.413 0.931 10.630 1.00 0.00 C ATOM 1021 CE3 TRP A 69 4.911 0.715 8.748 1.00 0.00 C ATOM 1022 CZ2 TRP A 69 4.078 2.061 11.079 1.00 0.00 C ATOM 1023 CZ3 TRP A 69 5.578 1.848 9.199 1.00 0.00 C ATOM 1024 CH2 TRP A 69 5.173 2.503 10.335 1.00 0.00 C ATOM 0 H TRP A 69 3.305 -3.637 6.523 1.00 0.00 H new ATOM 0 HA TRP A 69 5.039 -2.228 8.204 1.00 0.00 H new ATOM 0 HB2 TRP A 69 2.895 -1.386 7.255 1.00 0.00 H new ATOM 0 HB3 TRP A 69 2.005 -2.492 8.284 1.00 0.00 H new ATOM 0 HD1 TRP A 69 1.212 -1.487 10.526 1.00 0.00 H new ATOM 0 HE1 TRP A 69 1.817 0.553 11.994 1.00 0.00 H new ATOM 0 HE3 TRP A 69 5.236 0.204 7.854 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 3.761 2.580 11.971 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 6.429 2.219 8.647 1.00 0.00 H new ATOM 0 HH2 TRP A 69 5.713 3.380 10.660 1.00 0.00 H new ATOM 1035 N MET A 70 3.272 -4.579 9.703 1.00 0.00 N ATOM 1036 CA MET A 70 3.205 -5.407 10.902 1.00 0.00 C ATOM 1037 C MET A 70 4.565 -6.010 11.231 1.00 0.00 C ATOM 1038 O MET A 70 4.963 -6.069 12.394 1.00 0.00 O ATOM 1039 CB MET A 70 2.161 -6.508 10.727 1.00 0.00 C ATOM 1040 CG MET A 70 0.722 -6.013 10.702 1.00 0.00 C ATOM 1041 SD MET A 70 -0.461 -7.332 10.363 1.00 0.00 S ATOM 1042 CE MET A 70 -0.310 -8.313 11.853 1.00 0.00 C ATOM 0 H MET A 70 2.605 -4.837 8.975 1.00 0.00 H new ATOM 0 HA MET A 70 2.910 -4.771 11.737 1.00 0.00 H new ATOM 0 HB2 MET A 70 2.365 -7.041 9.798 1.00 0.00 H new ATOM 0 HB3 MET A 70 2.271 -7.228 11.538 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.483 -5.554 11.661 1.00 0.00 H new ATOM 0 HG3 MET A 70 0.622 -5.237 9.943 1.00 0.00 H new ATOM 0 HE1 MET A 70 -1.141 -9.015 11.912 1.00 0.00 H new ATOM 0 HE2 MET A 70 0.630 -8.864 11.832 1.00 0.00 H new ATOM 0 HE3 MET A 70 -0.327 -7.657 12.724 1.00 0.00 H new ATOM 1052 N ARG A 71 5.272 -6.458 10.199 1.00 0.00 N ATOM 1053 CA ARG A 71 6.597 -7.042 10.375 1.00 0.00 C ATOM 1054 C ARG A 71 7.609 -5.991 10.812 1.00 0.00 C ATOM 1055 O ARG A 71 8.429 -6.235 11.698 1.00 0.00 O ATOM 1056 CB ARG A 71 7.071 -7.692 9.083 1.00 0.00 C ATOM 1057 CG ARG A 71 8.447 -8.333 9.157 1.00 0.00 C ATOM 1058 CD ARG A 71 8.460 -9.504 10.071 1.00 0.00 C ATOM 1059 NE ARG A 71 9.785 -10.090 10.184 1.00 0.00 N ATOM 1060 CZ ARG A 71 10.288 -11.014 9.341 1.00 0.00 C ATOM 1061 NH1 ARG A 71 9.564 -11.445 8.332 1.00 0.00 N1+ ATOM 1062 NH2 ARG A 71 11.508 -11.486 9.529 1.00 0.00 N ATOM 0 H ARG A 71 4.950 -6.428 9.232 1.00 0.00 H new ATOM 0 HA ARG A 71 6.520 -7.800 11.155 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.347 -8.452 8.789 1.00 0.00 H new ATOM 0 HB3 ARG A 71 7.079 -6.938 8.296 1.00 0.00 H new ATOM 0 HG2 ARG A 71 8.756 -8.646 8.160 1.00 0.00 H new ATOM 0 HG3 ARG A 71 9.174 -7.596 9.499 1.00 0.00 H new ATOM 0 HD2 ARG A 71 8.113 -9.198 11.058 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.760 -10.256 9.707 1.00 0.00 H new ATOM 0 HE ARG A 71 10.376 -9.780 10.955 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.622 -11.080 8.187 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.944 -12.144 7.694 1.00 0.00 H new ATOM 0 HH21 ARG A 71 12.069 -11.151 10.312 1.00 0.00 H new ATOM 0 HH22 ARG A 71 11.888 -12.185 8.891 1.00 0.00 H new ATOM 1076 N LEU A 72 7.547 -4.821 10.187 1.00 0.00 N ATOM 1077 CA LEU A 72 8.396 -3.700 10.572 1.00 0.00 C ATOM 1078 C LEU A 72 8.200 -3.340 12.039 1.00 0.00 C ATOM 1079 O LEU A 72 9.152 -2.979 12.732 1.00 0.00 O ATOM 1080 CB LEU A 72 8.092 -2.479 9.695 1.00 0.00 C ATOM 1081 CG LEU A 72 8.517 -2.593 8.225 1.00 0.00 C ATOM 1082 CD1 LEU A 72 7.979 -1.400 7.447 1.00 0.00 C ATOM 1083 CD2 LEU A 72 10.035 -2.662 8.140 1.00 0.00 C ATOM 0 H LEU A 72 6.916 -4.624 9.410 1.00 0.00 H new ATOM 0 HA LEU A 72 9.434 -4.001 10.427 1.00 0.00 H new ATOM 0 HB2 LEU A 72 7.020 -2.287 9.730 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.585 -1.610 10.130 1.00 0.00 H new ATOM 0 HG LEU A 72 8.106 -3.503 7.787 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.281 -1.481 6.403 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.891 -1.385 7.510 1.00 0.00 H new ATOM 0 HD13 LEU A 72 8.380 -0.479 7.870 1.00 0.00 H new ATOM 0 HD21 LEU A 72 10.338 -2.743 7.096 1.00 0.00 H new ATOM 0 HD22 LEU A 72 10.465 -1.759 8.573 1.00 0.00 H new ATOM 0 HD23 LEU A 72 10.391 -3.533 8.690 1.00 0.00 H new ATOM 1095 N GLN A 73 6.961 -3.441 12.508 1.00 0.00 N ATOM 1096 CA GLN A 73 6.638 -3.121 13.893 1.00 0.00 C ATOM 1097 C GLN A 73 6.630 -4.374 14.760 1.00 0.00 C ATOM 1098 O GLN A 73 6.041 -4.389 15.841 1.00 0.00 O ATOM 1099 CB GLN A 73 5.281 -2.418 13.979 1.00 0.00 C ATOM 1100 CG GLN A 73 5.203 -1.117 13.198 1.00 0.00 C ATOM 1101 CD GLN A 73 6.169 -0.070 13.722 1.00 0.00 C ATOM 1102 OE1 GLN A 73 6.223 0.198 14.925 1.00 0.00 O ATOM 1103 NE2 GLN A 73 6.938 0.528 12.819 1.00 0.00 N ATOM 0 H GLN A 73 6.163 -3.742 11.948 1.00 0.00 H new ATOM 0 HA GLN A 73 7.411 -2.449 14.268 1.00 0.00 H new ATOM 0 HB2 GLN A 73 4.510 -3.095 13.613 1.00 0.00 H new ATOM 0 HB3 GLN A 73 5.056 -2.214 15.026 1.00 0.00 H new ATOM 0 HG2 GLN A 73 5.418 -1.313 12.148 1.00 0.00 H new ATOM 0 HG3 GLN A 73 4.186 -0.727 13.247 1.00 0.00 H new ATOM 0 HE21 GLN A 73 6.859 0.275 11.834 1.00 0.00 H new ATOM 0 HE22 GLN A 73 7.607 1.241 13.111 1.00 0.00 H new ATOM 1112 N GLU A 74 7.288 -5.424 14.280 1.00 0.00 N ATOM 1113 CA GLU A 74 7.378 -6.676 15.022 1.00 0.00 C ATOM 1114 C GLU A 74 8.717 -6.796 15.738 1.00 0.00 C ATOM 1115 O GLU A 74 8.745 -6.885 16.734 1.00 0.00 O ATOM 1116 CB GLU A 74 7.183 -7.868 14.082 1.00 0.00 C ATOM 1117 CG GLU A 74 7.142 -9.219 14.780 1.00 0.00 C ATOM 1118 CD GLU A 74 6.896 -10.360 13.833 1.00 0.00 C ATOM 1119 OE1 GLU A 74 5.901 -10.336 13.149 1.00 0.00 O ATOM 1120 OE2 GLU A 74 7.705 -11.258 13.793 1.00 0.00 O1- ATOM 1121 OXT GLU A 74 9.738 -6.784 15.108 1.00 0.00 O1- ATOM 0 H GLU A 74 7.767 -5.433 13.380 1.00 0.00 H new ATOM 0 HA GLU A 74 6.586 -6.677 15.771 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.254 -7.730 13.528 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.992 -7.875 13.351 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.086 -9.382 15.300 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.359 -9.207 15.538 1.00 0.00 H new