USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 638 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 78 SER OG : rot 64:sc= 0.817 USER MOD Set 1.2: A 87 SER OG : rot 45:sc= -1.45 USER MOD Set 2.1: A 54 SER OG : rot 124:sc= 0.0643 USER MOD Set 2.2: A 67 HIS : no HE2:sc= -0.137 K(o=-0.072,f=-1.1) USER MOD Set 3.1: A 41 LYS NZ :NH3+ 166:sc= 0 (180deg=0) USER MOD Set 3.2: A 80 MET CE :methyl 159:sc= -1.03 (180deg=-2.25!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 170:sc= 0.174 USER MOD Single : A 18 LYS NZ :NH3+ -105:sc= -4.56! (180deg=-5.85!) USER MOD Single : A 21 SER OG : rot 180:sc= -0.179 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -36:sc= 0.67 USER MOD Single : A 29 GLN : amide:sc= -0.0746 K(o=-0.075,f=-1.4!) USER MOD Single : A 30 CYS SG : rot -112:sc= -1.15 USER MOD Single : A 33 SER OG : rot -160:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.267 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 166:sc= 0.47 (180deg=0.283) USER MOD Single : A 57 GLN : amide:sc= 0.414 X(o=0.41,f=-0.075) USER MOD Single : A 60 THR OG1 : rot 56:sc= -0.167 USER MOD Single : A 62 CYS SG : rot 1:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.0924 X(o=-0.092,f=-0.58) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot -39:sc= 0.748 USER MOD Single : A 79 CYS SG : rot -2:sc= 0.593 USER MOD Single : A 81 CYS SG : rot -62:sc= -0.117 USER MOD Single : A 83 GLN : amide:sc= 0.214 X(o=0.21,f=0) USER MOD Single : A 86 THR OG1 : rot 130:sc= 0.0318 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 10.544 24.100 -3.056 1.00 0.00 N ATOM 81 CA ALA A 9 10.258 23.494 -1.761 1.00 0.00 C ATOM 82 C ALA A 9 11.208 22.335 -1.476 1.00 0.00 C ATOM 83 O ALA A 9 11.705 21.687 -2.397 1.00 0.00 O ATOM 84 CB ALA A 9 8.814 23.020 -1.707 1.00 0.00 C ATOM 0 HA ALA A 9 10.409 24.252 -0.992 1.00 0.00 H new ATOM 0 HB1 ALA A 9 8.615 22.570 -0.734 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.147 23.869 -1.857 1.00 0.00 H new ATOM 0 HB3 ALA A 9 8.644 22.281 -2.490 1.00 0.00 H new ATOM 90 N ARG A 10 11.456 22.081 -0.195 1.00 0.00 N ATOM 91 CA ARG A 10 12.348 21.001 0.210 1.00 0.00 C ATOM 92 C ARG A 10 11.684 20.112 1.258 1.00 0.00 C ATOM 93 O ARG A 10 10.567 20.382 1.699 1.00 0.00 O ATOM 94 CB ARG A 10 13.655 21.572 0.764 1.00 0.00 C ATOM 95 CG ARG A 10 13.489 22.297 2.089 1.00 0.00 C ATOM 96 CD ARG A 10 13.092 23.751 1.883 1.00 0.00 C ATOM 97 NE ARG A 10 14.257 24.624 1.763 1.00 0.00 N ATOM 98 CZ ARG A 10 14.175 25.934 1.560 1.00 0.00 C ATOM 99 NH1 ARG A 10 12.989 26.519 1.455 1.00 0.00 N ATOM 100 NH2 ARG A 10 15.280 26.662 1.462 1.00 0.00 N ATOM 0 H ARG A 10 11.052 22.608 0.579 1.00 0.00 H new ATOM 0 HA ARG A 10 12.568 20.395 -0.669 1.00 0.00 H new ATOM 0 HB2 ARG A 10 14.371 20.760 0.891 1.00 0.00 H new ATOM 0 HB3 ARG A 10 14.079 22.261 0.033 1.00 0.00 H new ATOM 0 HG2 ARG A 10 12.731 21.793 2.688 1.00 0.00 H new ATOM 0 HG3 ARG A 10 14.422 22.250 2.650 1.00 0.00 H new ATOM 0 HD2 ARG A 10 12.481 23.836 0.984 1.00 0.00 H new ATOM 0 HD3 ARG A 10 12.476 24.081 2.720 1.00 0.00 H new ATOM 0 HE ARG A 10 15.184 24.205 1.839 1.00 0.00 H new ATOM 0 HH11 ARG A 10 12.137 25.963 1.530 1.00 0.00 H new ATOM 0 HH12 ARG A 10 12.929 27.525 1.299 1.00 0.00 H new ATOM 0 HH21 ARG A 10 16.194 26.216 1.543 1.00 0.00 H new ATOM 0 HH22 ARG A 10 15.216 27.668 1.306 1.00 0.00 H new ATOM 114 N PHE A 11 12.379 19.050 1.651 1.00 0.00 N ATOM 115 CA PHE A 11 11.857 18.119 2.645 1.00 0.00 C ATOM 116 C PHE A 11 12.334 18.496 4.045 1.00 0.00 C ATOM 117 O PHE A 11 13.495 18.855 4.243 1.00 0.00 O ATOM 118 CB PHE A 11 12.290 16.690 2.314 1.00 0.00 C ATOM 119 CG PHE A 11 11.657 16.146 1.065 1.00 0.00 C ATOM 120 CD1 PHE A 11 10.370 15.632 1.091 1.00 0.00 C ATOM 121 CD2 PHE A 11 12.349 16.149 -0.136 1.00 0.00 C ATOM 122 CE1 PHE A 11 9.785 15.131 -0.057 1.00 0.00 C ATOM 123 CE2 PHE A 11 11.768 15.650 -1.287 1.00 0.00 C ATOM 124 CZ PHE A 11 10.486 15.139 -1.247 1.00 0.00 C ATOM 0 H PHE A 11 13.305 18.812 1.296 1.00 0.00 H new ATOM 0 HA PHE A 11 10.769 18.175 2.623 1.00 0.00 H new ATOM 0 HB2 PHE A 11 13.374 16.664 2.203 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.039 16.040 3.152 1.00 0.00 H new ATOM 0 HD1 PHE A 11 9.818 15.623 2.019 1.00 0.00 H new ATOM 0 HD2 PHE A 11 13.353 16.545 -0.173 1.00 0.00 H new ATOM 0 HE1 PHE A 11 8.781 14.734 -0.023 1.00 0.00 H new ATOM 0 HE2 PHE A 11 12.317 15.660 -2.217 1.00 0.00 H new ATOM 0 HZ PHE A 11 10.032 14.746 -2.145 1.00 0.00 H new ATOM 134 N THR A 12 11.428 18.410 5.015 1.00 0.00 N ATOM 135 CA THR A 12 11.754 18.743 6.396 1.00 0.00 C ATOM 136 C THR A 12 11.696 17.508 7.287 1.00 0.00 C ATOM 137 O THR A 12 12.383 17.434 8.305 1.00 0.00 O ATOM 138 CB THR A 12 10.798 19.813 6.956 1.00 0.00 C ATOM 139 OG1 THR A 12 9.452 19.323 6.942 1.00 0.00 O ATOM 140 CG2 THR A 12 10.885 21.096 6.144 1.00 0.00 C ATOM 0 H THR A 12 10.463 18.113 4.869 1.00 0.00 H new ATOM 0 HA THR A 12 12.769 19.139 6.395 1.00 0.00 H new ATOM 0 HB THR A 12 11.094 20.031 7.982 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.851 20.008 7.301 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.201 21.836 6.559 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.904 21.482 6.182 1.00 0.00 H new ATOM 0 HG23 THR A 12 10.613 20.891 5.109 1.00 0.00 H new ATOM 148 N GLN A 13 10.872 16.541 6.897 1.00 0.00 N ATOM 149 CA GLN A 13 10.724 15.308 7.662 1.00 0.00 C ATOM 150 C GLN A 13 10.932 14.087 6.773 1.00 0.00 C ATOM 151 O GLN A 13 10.061 13.731 5.978 1.00 0.00 O ATOM 152 CB GLN A 13 9.342 15.250 8.314 1.00 0.00 C ATOM 153 CG GLN A 13 9.298 15.864 9.704 1.00 0.00 C ATOM 154 CD GLN A 13 9.659 14.872 10.792 1.00 0.00 C ATOM 155 OE1 GLN A 13 10.595 14.086 10.647 1.00 0.00 O ATOM 156 NE2 GLN A 13 8.915 14.903 11.892 1.00 0.00 N ATOM 0 H GLN A 13 10.297 16.587 6.056 1.00 0.00 H new ATOM 0 HA GLN A 13 11.486 15.300 8.441 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.626 15.767 7.675 1.00 0.00 H new ATOM 0 HB3 GLN A 13 9.022 14.210 8.375 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.985 16.709 9.746 1.00 0.00 H new ATOM 0 HG3 GLN A 13 8.299 16.256 9.892 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.148 15.571 11.970 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.110 14.259 12.658 1.00 0.00 H new ATOM 165 N ASP A 14 12.089 13.450 6.911 1.00 0.00 N ATOM 166 CA ASP A 14 12.411 12.268 6.120 1.00 0.00 C ATOM 167 C ASP A 14 11.169 11.412 5.893 1.00 0.00 C ATOM 168 O ASP A 14 10.448 11.083 6.836 1.00 0.00 O ATOM 169 CB ASP A 14 13.495 11.443 6.816 1.00 0.00 C ATOM 170 CG ASP A 14 13.213 11.244 8.292 1.00 0.00 C ATOM 171 OD1 ASP A 14 12.131 10.717 8.625 1.00 0.00 O ATOM 172 OD2 ASP A 14 14.076 11.616 9.115 1.00 0.00 O ATOM 0 H ASP A 14 12.820 13.732 7.564 1.00 0.00 H new ATOM 0 HA ASP A 14 12.784 12.599 5.151 1.00 0.00 H new ATOM 0 HB2 ASP A 14 13.575 10.471 6.330 1.00 0.00 H new ATOM 0 HB3 ASP A 14 14.458 11.940 6.697 1.00 0.00 H new ATOM 177 N LEU A 15 10.925 11.055 4.637 1.00 0.00 N ATOM 178 CA LEU A 15 9.769 10.238 4.285 1.00 0.00 C ATOM 179 C LEU A 15 9.613 9.070 5.254 1.00 0.00 C ATOM 180 O LEU A 15 10.594 8.572 5.806 1.00 0.00 O ATOM 181 CB LEU A 15 9.907 9.714 2.855 1.00 0.00 C ATOM 182 CG LEU A 15 8.599 9.453 2.106 1.00 0.00 C ATOM 183 CD1 LEU A 15 8.865 9.250 0.622 1.00 0.00 C ATOM 184 CD2 LEU A 15 7.882 8.245 2.691 1.00 0.00 C ATOM 0 H LEU A 15 11.512 11.318 3.846 1.00 0.00 H new ATOM 0 HA LEU A 15 8.879 10.863 4.352 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.494 10.432 2.282 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.478 8.786 2.883 1.00 0.00 H new ATOM 0 HG LEU A 15 7.955 10.325 2.223 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.923 9.066 0.105 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.335 10.143 0.211 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.527 8.395 0.485 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.954 8.074 2.146 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.521 7.366 2.605 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.657 8.429 3.742 1.00 0.00 H new ATOM 196 N LYS A 16 8.373 8.636 5.454 1.00 0.00 N ATOM 197 CA LYS A 16 8.087 7.524 6.352 1.00 0.00 C ATOM 198 C LYS A 16 7.077 6.566 5.728 1.00 0.00 C ATOM 199 O LYS A 16 6.267 6.961 4.889 1.00 0.00 O ATOM 200 CB LYS A 16 7.552 8.046 7.688 1.00 0.00 C ATOM 201 CG LYS A 16 7.223 6.946 8.683 1.00 0.00 C ATOM 202 CD LYS A 16 8.477 6.230 9.157 1.00 0.00 C ATOM 203 CE LYS A 16 8.185 4.786 9.534 1.00 0.00 C ATOM 204 NZ LYS A 16 9.157 4.266 10.535 1.00 0.00 N ATOM 0 H LYS A 16 7.550 9.038 5.006 1.00 0.00 H new ATOM 0 HA LYS A 16 9.016 6.982 6.526 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.291 8.715 8.129 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.656 8.638 7.504 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.701 7.373 9.539 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.545 6.228 8.222 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.232 6.256 8.371 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.894 6.755 10.017 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.175 4.713 9.937 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.217 4.164 8.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.924 3.279 10.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.119 4.311 10.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.109 4.844 11.398 1.00 0.00 H new ATOM 218 N THR A 17 7.131 5.304 6.143 1.00 0.00 N ATOM 219 CA THR A 17 6.221 4.290 5.626 1.00 0.00 C ATOM 220 C THR A 17 5.679 3.412 6.748 1.00 0.00 C ATOM 221 O THR A 17 5.945 3.657 7.925 1.00 0.00 O ATOM 222 CB THR A 17 6.913 3.396 4.579 1.00 0.00 C ATOM 223 OG1 THR A 17 5.958 2.515 3.978 1.00 0.00 O ATOM 224 CG2 THR A 17 8.030 2.583 5.216 1.00 0.00 C ATOM 0 H THR A 17 7.796 4.960 6.836 1.00 0.00 H new ATOM 0 HA THR A 17 5.395 4.820 5.152 1.00 0.00 H new ATOM 0 HB THR A 17 7.345 4.040 3.812 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.366 2.067 3.208 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.504 1.959 4.458 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.771 3.257 5.647 1.00 0.00 H new ATOM 0 HG23 THR A 17 7.617 1.949 6.001 1.00 0.00 H new ATOM 232 N LYS A 18 4.919 2.387 6.377 1.00 0.00 N ATOM 233 CA LYS A 18 4.341 1.471 7.353 1.00 0.00 C ATOM 234 C LYS A 18 4.564 0.021 6.935 1.00 0.00 C ATOM 235 O LYS A 18 5.200 -0.250 5.918 1.00 0.00 O ATOM 236 CB LYS A 18 2.843 1.742 7.513 1.00 0.00 C ATOM 237 CG LYS A 18 2.062 1.629 6.215 1.00 0.00 C ATOM 238 CD LYS A 18 1.576 0.208 5.979 1.00 0.00 C ATOM 239 CE LYS A 18 1.168 -0.007 4.530 1.00 0.00 C ATOM 240 NZ LYS A 18 2.305 -0.491 3.699 1.00 0.00 N ATOM 0 H LYS A 18 4.689 2.170 5.407 1.00 0.00 H new ATOM 0 HA LYS A 18 4.838 1.637 8.309 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.431 1.040 8.238 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.705 2.742 7.924 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.209 2.307 6.242 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.691 1.942 5.382 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.364 -0.496 6.245 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.729 -0.001 6.632 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.353 -0.729 4.486 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.789 0.928 4.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.654 0.286 3.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.071 -0.823 4.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.984 -1.274 3.095 1.00 0.00 H new ATOM 254 N GLU A 19 4.034 -0.907 7.727 1.00 0.00 N ATOM 255 CA GLU A 19 4.176 -2.329 7.438 1.00 0.00 C ATOM 256 C GLU A 19 2.810 -2.987 7.261 1.00 0.00 C ATOM 257 O GLU A 19 2.057 -3.144 8.221 1.00 0.00 O ATOM 258 CB GLU A 19 4.949 -3.026 8.559 1.00 0.00 C ATOM 259 CG GLU A 19 4.699 -4.523 8.632 1.00 0.00 C ATOM 260 CD GLU A 19 5.384 -5.172 9.819 1.00 0.00 C ATOM 261 OE1 GLU A 19 6.565 -4.853 10.070 1.00 0.00 O ATOM 262 OE2 GLU A 19 4.738 -5.999 10.496 1.00 0.00 O ATOM 0 H GLU A 19 3.503 -0.699 8.573 1.00 0.00 H new ATOM 0 HA GLU A 19 4.733 -2.430 6.506 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.015 -2.851 8.417 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.676 -2.574 9.513 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.626 -4.706 8.692 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.051 -4.992 7.713 1.00 0.00 H new ATOM 269 N ALA A 20 2.499 -3.368 6.027 1.00 0.00 N ATOM 270 CA ALA A 20 1.226 -4.010 5.724 1.00 0.00 C ATOM 271 C ALA A 20 1.439 -5.381 5.091 1.00 0.00 C ATOM 272 O ALA A 20 2.554 -5.729 4.701 1.00 0.00 O ATOM 273 CB ALA A 20 0.394 -3.126 4.806 1.00 0.00 C ATOM 0 H ALA A 20 3.111 -3.243 5.221 1.00 0.00 H new ATOM 0 HA ALA A 20 0.687 -4.151 6.661 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.554 -3.618 4.588 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.203 -2.171 5.295 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.936 -2.955 3.876 1.00 0.00 H new ATOM 279 N SER A 21 0.364 -6.156 4.992 1.00 0.00 N ATOM 280 CA SER A 21 0.434 -7.491 4.410 1.00 0.00 C ATOM 281 C SER A 21 -0.103 -7.491 2.982 1.00 0.00 C ATOM 282 O SER A 21 -0.693 -6.510 2.531 1.00 0.00 O ATOM 283 CB SER A 21 -0.355 -8.485 5.264 1.00 0.00 C ATOM 284 OG SER A 21 0.378 -8.861 6.417 1.00 0.00 O ATOM 0 H SER A 21 -0.566 -5.882 5.308 1.00 0.00 H new ATOM 0 HA SER A 21 1.481 -7.795 4.385 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.304 -8.040 5.562 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.590 -9.371 4.673 1.00 0.00 H new ATOM 0 HG SER A 21 -0.149 -9.495 6.947 1.00 0.00 H new ATOM 290 N GLU A 22 0.106 -8.598 2.278 1.00 0.00 N ATOM 291 CA GLU A 22 -0.357 -8.725 0.901 1.00 0.00 C ATOM 292 C GLU A 22 -1.833 -8.354 0.786 1.00 0.00 C ATOM 293 O GLU A 22 -2.629 -8.645 1.678 1.00 0.00 O ATOM 294 CB GLU A 22 -0.139 -10.153 0.396 1.00 0.00 C ATOM 295 CG GLU A 22 1.263 -10.404 -0.133 1.00 0.00 C ATOM 296 CD GLU A 22 1.487 -11.851 -0.529 1.00 0.00 C ATOM 297 OE1 GLU A 22 0.542 -12.474 -1.057 1.00 0.00 O ATOM 298 OE2 GLU A 22 2.607 -12.360 -0.311 1.00 0.00 O ATOM 0 H GLU A 22 0.592 -9.419 2.638 1.00 0.00 H new ATOM 0 HA GLU A 22 0.222 -8.036 0.286 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.342 -10.851 1.208 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.860 -10.364 -0.394 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.442 -9.763 -0.996 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.990 -10.123 0.629 1.00 0.00 H new ATOM 305 N GLY A 23 -2.190 -7.707 -0.319 1.00 0.00 N ATOM 306 CA GLY A 23 -3.568 -7.305 -0.531 1.00 0.00 C ATOM 307 C GLY A 23 -3.941 -6.071 0.267 1.00 0.00 C ATOM 308 O GLY A 23 -5.090 -5.630 0.240 1.00 0.00 O ATOM 0 H GLY A 23 -1.549 -7.454 -1.071 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.727 -7.110 -1.592 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.229 -8.126 -0.255 1.00 0.00 H new ATOM 312 N ALA A 24 -2.969 -5.513 0.981 1.00 0.00 N ATOM 313 CA ALA A 24 -3.201 -4.323 1.789 1.00 0.00 C ATOM 314 C ALA A 24 -3.061 -3.056 0.954 1.00 0.00 C ATOM 315 O ALA A 24 -2.891 -3.118 -0.265 1.00 0.00 O ATOM 316 CB ALA A 24 -2.238 -4.290 2.967 1.00 0.00 C ATOM 0 H ALA A 24 -2.013 -5.867 1.016 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.222 -4.365 2.168 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.422 -3.396 3.562 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.389 -5.175 3.585 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.212 -4.276 2.598 1.00 0.00 H new ATOM 322 N THR A 25 -3.134 -1.905 1.615 1.00 0.00 N ATOM 323 CA THR A 25 -3.018 -0.622 0.933 1.00 0.00 C ATOM 324 C THR A 25 -1.908 0.226 1.543 1.00 0.00 C ATOM 325 O THR A 25 -2.102 0.871 2.573 1.00 0.00 O ATOM 326 CB THR A 25 -4.340 0.166 0.988 1.00 0.00 C ATOM 327 OG1 THR A 25 -5.438 -0.697 0.669 1.00 0.00 O ATOM 328 CG2 THR A 25 -4.313 1.338 0.020 1.00 0.00 C ATOM 0 H THR A 25 -3.273 -1.835 2.623 1.00 0.00 H new ATOM 0 HA THR A 25 -2.776 -0.838 -0.108 1.00 0.00 H new ATOM 0 HB THR A 25 -4.464 0.554 1.999 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.275 -0.189 0.708 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.258 1.879 0.077 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.495 2.008 0.283 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.168 0.968 -0.995 1.00 0.00 H new ATOM 336 N ALA A 26 -0.745 0.222 0.900 1.00 0.00 N ATOM 337 CA ALA A 26 0.395 0.994 1.379 1.00 0.00 C ATOM 338 C ALA A 26 -0.043 2.366 1.882 1.00 0.00 C ATOM 339 O ALA A 26 -1.143 2.828 1.578 1.00 0.00 O ATOM 340 CB ALA A 26 1.433 1.142 0.276 1.00 0.00 C ATOM 0 H ALA A 26 -0.567 -0.307 0.046 1.00 0.00 H new ATOM 0 HA ALA A 26 0.842 0.455 2.214 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.279 1.721 0.648 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.777 0.155 -0.035 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.988 1.656 -0.576 1.00 0.00 H new ATOM 346 N THR A 27 0.825 3.012 2.654 1.00 0.00 N ATOM 347 CA THR A 27 0.527 4.330 3.202 1.00 0.00 C ATOM 348 C THR A 27 1.789 5.006 3.725 1.00 0.00 C ATOM 349 O THR A 27 2.345 4.599 4.746 1.00 0.00 O ATOM 350 CB THR A 27 -0.507 4.244 4.341 1.00 0.00 C ATOM 351 OG1 THR A 27 -1.656 3.510 3.906 1.00 0.00 O ATOM 352 CG2 THR A 27 -0.929 5.634 4.794 1.00 0.00 C ATOM 0 H THR A 27 1.740 2.644 2.914 1.00 0.00 H new ATOM 0 HA THR A 27 0.111 4.924 2.388 1.00 0.00 H new ATOM 0 HB THR A 27 -0.045 3.729 5.183 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.831 3.705 2.962 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.659 5.548 5.599 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.057 6.180 5.152 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.374 6.170 3.956 1.00 0.00 H new ATOM 360 N LEU A 28 2.235 6.040 3.021 1.00 0.00 N ATOM 361 CA LEU A 28 3.432 6.775 3.416 1.00 0.00 C ATOM 362 C LEU A 28 3.119 8.252 3.630 1.00 0.00 C ATOM 363 O LEU A 28 2.439 8.876 2.816 1.00 0.00 O ATOM 364 CB LEU A 28 4.522 6.621 2.353 1.00 0.00 C ATOM 365 CG LEU A 28 5.009 5.195 2.092 1.00 0.00 C ATOM 366 CD1 LEU A 28 4.213 4.558 0.963 1.00 0.00 C ATOM 367 CD2 LEU A 28 6.496 5.190 1.768 1.00 0.00 C ATOM 0 H LEU A 28 1.786 6.389 2.174 1.00 0.00 H new ATOM 0 HA LEU A 28 3.790 6.359 4.358 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.148 7.033 1.416 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.378 7.227 2.649 1.00 0.00 H new ATOM 0 HG LEU A 28 4.853 4.607 2.996 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.573 3.544 0.791 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.158 4.527 1.234 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.337 5.146 0.054 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.825 4.167 1.585 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.677 5.794 0.879 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.053 5.606 2.608 1.00 0.00 H new ATOM 379 N GLN A 29 3.623 8.805 4.728 1.00 0.00 N ATOM 380 CA GLN A 29 3.397 10.210 5.048 1.00 0.00 C ATOM 381 C GLN A 29 4.716 10.974 5.103 1.00 0.00 C ATOM 382 O GLN A 29 5.693 10.505 5.689 1.00 0.00 O ATOM 383 CB GLN A 29 2.663 10.340 6.383 1.00 0.00 C ATOM 384 CG GLN A 29 1.244 9.796 6.352 1.00 0.00 C ATOM 385 CD GLN A 29 0.707 9.487 7.736 1.00 0.00 C ATOM 386 OE1 GLN A 29 1.462 9.138 8.644 1.00 0.00 O ATOM 387 NE2 GLN A 29 -0.604 9.615 7.905 1.00 0.00 N ATOM 0 H GLN A 29 4.190 8.302 5.411 1.00 0.00 H new ATOM 0 HA GLN A 29 2.780 10.641 4.260 1.00 0.00 H new ATOM 0 HB2 GLN A 29 3.228 9.814 7.152 1.00 0.00 H new ATOM 0 HB3 GLN A 29 2.634 11.391 6.672 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.591 10.522 5.867 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.219 8.890 5.746 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -1.193 9.907 7.125 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.022 9.421 8.815 1.00 0.00 H new ATOM 396 N CYS A 30 4.738 12.152 4.489 1.00 0.00 N ATOM 397 CA CYS A 30 5.938 12.981 4.467 1.00 0.00 C ATOM 398 C CYS A 30 5.601 14.434 4.785 1.00 0.00 C ATOM 399 O CYS A 30 4.439 14.778 4.999 1.00 0.00 O ATOM 400 CB CYS A 30 6.621 12.889 3.102 1.00 0.00 C ATOM 401 SG CYS A 30 5.574 13.396 1.718 1.00 0.00 S ATOM 0 H CYS A 30 3.939 12.554 4.000 1.00 0.00 H new ATOM 0 HA CYS A 30 6.620 12.610 5.232 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.516 13.510 3.113 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.948 11.862 2.939 1.00 0.00 H new ATOM 0 HG CYS A 30 5.299 12.362 0.980 1.00 0.00 H new ATOM 407 N GLU A 31 6.625 15.280 4.816 1.00 0.00 N ATOM 408 CA GLU A 31 6.437 16.696 5.110 1.00 0.00 C ATOM 409 C GLU A 31 7.224 17.564 4.134 1.00 0.00 C ATOM 410 O GLU A 31 8.095 17.075 3.413 1.00 0.00 O ATOM 411 CB GLU A 31 6.869 17.003 6.546 1.00 0.00 C ATOM 412 CG GLU A 31 6.100 18.149 7.181 1.00 0.00 C ATOM 413 CD GLU A 31 5.986 18.011 8.687 1.00 0.00 C ATOM 414 OE1 GLU A 31 5.890 16.865 9.172 1.00 0.00 O ATOM 415 OE2 GLU A 31 5.992 19.050 9.379 1.00 0.00 O ATOM 0 H GLU A 31 7.593 15.010 4.641 1.00 0.00 H new ATOM 0 HA GLU A 31 5.377 16.926 5.000 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.739 16.108 7.155 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.932 17.242 6.553 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.595 19.090 6.943 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.101 18.196 6.747 1.00 0.00 H new ATOM 422 N LEU A 32 6.912 18.855 4.115 1.00 0.00 N ATOM 423 CA LEU A 32 7.589 19.794 3.226 1.00 0.00 C ATOM 424 C LEU A 32 7.690 21.174 3.867 1.00 0.00 C ATOM 425 O LEU A 32 6.878 21.536 4.718 1.00 0.00 O ATOM 426 CB LEU A 32 6.845 19.891 1.893 1.00 0.00 C ATOM 427 CG LEU A 32 6.836 18.625 1.035 1.00 0.00 C ATOM 428 CD1 LEU A 32 5.824 18.753 -0.093 1.00 0.00 C ATOM 429 CD2 LEU A 32 8.225 18.347 0.480 1.00 0.00 C ATOM 0 H LEU A 32 6.194 19.276 4.705 1.00 0.00 H new ATOM 0 HA LEU A 32 8.598 19.423 3.046 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.813 20.175 2.096 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.289 20.698 1.310 1.00 0.00 H new ATOM 0 HG LEU A 32 6.544 17.784 1.664 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.831 17.843 -0.693 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.829 18.903 0.326 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.085 19.604 -0.721 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.200 17.443 -0.128 1.00 0.00 H new ATOM 0 HD22 LEU A 32 8.546 19.188 -0.134 1.00 0.00 H new ATOM 0 HD23 LEU A 32 8.925 18.211 1.304 1.00 0.00 H new ATOM 441 N SER A 33 8.693 21.942 3.451 1.00 0.00 N ATOM 442 CA SER A 33 8.901 23.282 3.986 1.00 0.00 C ATOM 443 C SER A 33 7.756 24.210 3.589 1.00 0.00 C ATOM 444 O SER A 33 7.496 25.213 4.254 1.00 0.00 O ATOM 445 CB SER A 33 10.231 23.852 3.486 1.00 0.00 C ATOM 446 OG SER A 33 10.478 25.132 4.042 1.00 0.00 O ATOM 0 H SER A 33 9.373 21.659 2.746 1.00 0.00 H new ATOM 0 HA SER A 33 8.928 23.212 5.073 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.043 23.174 3.750 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.215 23.921 2.398 1.00 0.00 H new ATOM 0 HG SER A 33 11.137 25.606 3.492 1.00 0.00 H new ATOM 452 N LYS A 34 7.075 23.867 2.501 1.00 0.00 N ATOM 453 CA LYS A 34 5.957 24.666 2.015 1.00 0.00 C ATOM 454 C LYS A 34 5.094 23.862 1.048 1.00 0.00 C ATOM 455 O LYS A 34 5.550 22.879 0.462 1.00 0.00 O ATOM 456 CB LYS A 34 6.470 25.932 1.325 1.00 0.00 C ATOM 457 CG LYS A 34 7.088 25.674 -0.038 1.00 0.00 C ATOM 458 CD LYS A 34 7.151 26.944 -0.870 1.00 0.00 C ATOM 459 CE LYS A 34 8.410 27.744 -0.572 1.00 0.00 C ATOM 460 NZ LYS A 34 8.474 28.997 -1.375 1.00 0.00 N ATOM 0 H LYS A 34 7.278 23.040 1.939 1.00 0.00 H new ATOM 0 HA LYS A 34 5.345 24.949 2.872 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.644 26.635 1.213 1.00 0.00 H new ATOM 0 HB3 LYS A 34 7.211 26.410 1.966 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.092 25.270 0.087 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.505 24.920 -0.566 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.124 26.688 -1.929 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.273 27.557 -0.667 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.441 27.991 0.489 1.00 0.00 H new ATOM 0 HE3 LYS A 34 9.287 27.132 -0.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.346 29.514 -1.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 8.470 28.761 -2.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.650 29.593 -1.155 1.00 0.00 H new ATOM 474 N VAL A 35 3.845 24.286 0.883 1.00 0.00 N ATOM 475 CA VAL A 35 2.919 23.606 -0.015 1.00 0.00 C ATOM 476 C VAL A 35 3.416 23.654 -1.456 1.00 0.00 C ATOM 477 O VAL A 35 3.330 24.687 -2.119 1.00 0.00 O ATOM 478 CB VAL A 35 1.513 24.231 0.051 1.00 0.00 C ATOM 479 CG1 VAL A 35 0.550 23.477 -0.854 1.00 0.00 C ATOM 480 CG2 VAL A 35 1.005 24.248 1.486 1.00 0.00 C ATOM 0 H VAL A 35 3.451 25.097 1.360 1.00 0.00 H new ATOM 0 HA VAL A 35 2.864 22.568 0.314 1.00 0.00 H new ATOM 0 HB VAL A 35 1.575 25.261 -0.302 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.438 23.933 -0.794 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.908 23.520 -1.883 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.489 22.437 -0.534 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.010 24.693 1.515 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.957 23.228 1.867 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.683 24.835 2.105 1.00 0.00 H new ATOM 490 N ALA A 36 3.937 22.529 -1.934 1.00 0.00 N ATOM 491 CA ALA A 36 4.446 22.441 -3.297 1.00 0.00 C ATOM 492 C ALA A 36 4.226 21.048 -3.876 1.00 0.00 C ATOM 493 O ALA A 36 4.221 20.046 -3.162 1.00 0.00 O ATOM 494 CB ALA A 36 5.924 22.802 -3.333 1.00 0.00 C ATOM 0 H ALA A 36 4.018 21.665 -1.397 1.00 0.00 H new ATOM 0 HA ALA A 36 3.894 23.153 -3.911 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.291 22.732 -4.357 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.059 23.820 -2.968 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.482 22.113 -2.700 1.00 0.00 H new ATOM 500 N PRO A 37 4.038 20.981 -5.203 1.00 0.00 N ATOM 501 CA PRO A 37 3.814 19.715 -5.908 1.00 0.00 C ATOM 502 C PRO A 37 5.063 18.841 -5.942 1.00 0.00 C ATOM 503 O PRO A 37 6.144 19.300 -6.310 1.00 0.00 O ATOM 504 CB PRO A 37 3.434 20.160 -7.322 1.00 0.00 C ATOM 505 CG PRO A 37 4.062 21.501 -7.480 1.00 0.00 C ATOM 506 CD PRO A 37 4.031 22.136 -6.117 1.00 0.00 C ATOM 0 HA PRO A 37 3.054 19.105 -5.419 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.804 19.459 -8.070 1.00 0.00 H new ATOM 0 HB3 PRO A 37 2.352 20.213 -7.443 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.085 21.412 -7.846 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.516 22.105 -8.204 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.894 22.782 -5.955 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.142 22.751 -5.980 1.00 0.00 H new ATOM 514 N VAL A 38 4.907 17.579 -5.556 1.00 0.00 N ATOM 515 CA VAL A 38 6.022 16.640 -5.544 1.00 0.00 C ATOM 516 C VAL A 38 5.725 15.423 -6.413 1.00 0.00 C ATOM 517 O VAL A 38 4.601 15.240 -6.878 1.00 0.00 O ATOM 518 CB VAL A 38 6.343 16.169 -4.113 1.00 0.00 C ATOM 519 CG1 VAL A 38 6.843 17.331 -3.268 1.00 0.00 C ATOM 520 CG2 VAL A 38 5.121 15.523 -3.478 1.00 0.00 C ATOM 0 H VAL A 38 4.019 17.183 -5.247 1.00 0.00 H new ATOM 0 HA VAL A 38 6.886 17.169 -5.947 1.00 0.00 H new ATOM 0 HB VAL A 38 7.135 15.422 -4.164 1.00 0.00 H new ATOM 0 HG11 VAL A 38 7.065 16.979 -2.260 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.747 17.744 -3.715 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.076 18.104 -3.222 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.366 15.196 -2.467 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.307 16.246 -3.438 1.00 0.00 H new ATOM 0 HG23 VAL A 38 4.814 14.663 -4.073 1.00 0.00 H new ATOM 530 N GLU A 39 6.741 14.593 -6.627 1.00 0.00 N ATOM 531 CA GLU A 39 6.589 13.393 -7.441 1.00 0.00 C ATOM 532 C GLU A 39 7.198 12.181 -6.743 1.00 0.00 C ATOM 533 O GLU A 39 8.318 12.241 -6.236 1.00 0.00 O ATOM 534 CB GLU A 39 7.245 13.591 -8.809 1.00 0.00 C ATOM 535 CG GLU A 39 7.118 12.385 -9.725 1.00 0.00 C ATOM 536 CD GLU A 39 5.867 12.431 -10.580 1.00 0.00 C ATOM 537 OE1 GLU A 39 4.796 12.020 -10.086 1.00 0.00 O ATOM 538 OE2 GLU A 39 5.958 12.876 -11.743 1.00 0.00 O ATOM 0 H GLU A 39 7.678 14.730 -6.248 1.00 0.00 H new ATOM 0 HA GLU A 39 5.523 13.212 -7.580 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.795 14.456 -9.297 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.301 13.819 -8.667 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.994 12.331 -10.372 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.109 11.476 -9.124 1.00 0.00 H new ATOM 545 N TRP A 40 6.452 11.082 -6.720 1.00 0.00 N ATOM 546 CA TRP A 40 6.918 9.855 -6.084 1.00 0.00 C ATOM 547 C TRP A 40 7.572 8.928 -7.102 1.00 0.00 C ATOM 548 O TRP A 40 7.204 8.922 -8.278 1.00 0.00 O ATOM 549 CB TRP A 40 5.755 9.139 -5.397 1.00 0.00 C ATOM 550 CG TRP A 40 5.095 9.963 -4.332 1.00 0.00 C ATOM 551 CD1 TRP A 40 4.306 11.062 -4.517 1.00 0.00 C ATOM 552 CD2 TRP A 40 5.170 9.755 -2.918 1.00 0.00 C ATOM 553 NE1 TRP A 40 3.886 11.550 -3.303 1.00 0.00 N ATOM 554 CE2 TRP A 40 4.402 10.764 -2.306 1.00 0.00 C ATOM 555 CE3 TRP A 40 5.810 8.812 -2.108 1.00 0.00 C ATOM 556 CZ2 TRP A 40 4.259 10.857 -0.924 1.00 0.00 C ATOM 557 CZ3 TRP A 40 5.667 8.905 -0.737 1.00 0.00 C ATOM 558 CH2 TRP A 40 4.896 9.921 -0.156 1.00 0.00 C ATOM 0 H TRP A 40 5.522 11.016 -7.134 1.00 0.00 H new ATOM 0 HA TRP A 40 7.663 10.124 -5.335 1.00 0.00 H new ATOM 0 HB2 TRP A 40 5.013 8.865 -6.147 1.00 0.00 H new ATOM 0 HB3 TRP A 40 6.119 8.211 -4.955 1.00 0.00 H new ATOM 0 HD1 TRP A 40 4.050 11.486 -5.477 1.00 0.00 H new ATOM 0 HE1 TRP A 40 3.288 12.365 -3.166 1.00 0.00 H new ATOM 0 HE3 TRP A 40 6.406 8.025 -2.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 3.666 11.640 -0.474 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 6.158 8.182 -0.102 1.00 0.00 H new ATOM 0 HH2 TRP A 40 4.803 9.966 0.919 1.00 0.00 H new ATOM 569 N LYS A 41 8.542 8.144 -6.646 1.00 0.00 N ATOM 570 CA LYS A 41 9.247 7.211 -7.516 1.00 0.00 C ATOM 571 C LYS A 41 9.468 5.874 -6.816 1.00 0.00 C ATOM 572 O LYS A 41 9.652 5.822 -5.600 1.00 0.00 O ATOM 573 CB LYS A 41 10.591 7.800 -7.949 1.00 0.00 C ATOM 574 CG LYS A 41 10.516 8.609 -9.233 1.00 0.00 C ATOM 575 CD LYS A 41 11.809 8.518 -10.026 1.00 0.00 C ATOM 576 CE LYS A 41 11.645 9.087 -11.427 1.00 0.00 C ATOM 577 NZ LYS A 41 12.954 9.457 -12.032 1.00 0.00 N ATOM 0 H LYS A 41 8.859 8.136 -5.676 1.00 0.00 H new ATOM 0 HA LYS A 41 8.631 7.041 -8.399 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.973 8.436 -7.151 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.308 6.989 -8.082 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.688 8.249 -9.843 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.307 9.652 -8.995 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.597 9.059 -9.502 1.00 0.00 H new ATOM 0 HD3 LYS A 41 12.125 7.477 -10.090 1.00 0.00 H new ATOM 0 HE2 LYS A 41 11.146 8.354 -12.061 1.00 0.00 H new ATOM 0 HE3 LYS A 41 11.001 9.966 -11.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 12.833 9.614 -13.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 13.308 10.328 -11.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.637 8.688 -11.879 1.00 0.00 H new ATOM 591 N LYS A 42 9.450 4.795 -7.591 1.00 0.00 N ATOM 592 CA LYS A 42 9.651 3.458 -7.046 1.00 0.00 C ATOM 593 C LYS A 42 10.972 2.867 -7.528 1.00 0.00 C ATOM 594 O LYS A 42 11.199 1.662 -7.424 1.00 0.00 O ATOM 595 CB LYS A 42 8.493 2.541 -7.448 1.00 0.00 C ATOM 596 CG LYS A 42 8.589 1.145 -6.857 1.00 0.00 C ATOM 597 CD LYS A 42 7.243 0.440 -6.873 1.00 0.00 C ATOM 598 CE LYS A 42 7.364 -1.003 -6.406 1.00 0.00 C ATOM 599 NZ LYS A 42 7.859 -1.897 -7.489 1.00 0.00 N ATOM 0 H LYS A 42 9.298 4.821 -8.599 1.00 0.00 H new ATOM 0 HA LYS A 42 9.683 3.537 -5.959 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.554 2.996 -7.133 1.00 0.00 H new ATOM 0 HB3 LYS A 42 8.461 2.465 -8.535 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.315 0.559 -7.421 1.00 0.00 H new ATOM 0 HG3 LYS A 42 8.956 1.207 -5.833 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.544 0.974 -6.230 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.831 0.464 -7.882 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.043 -1.053 -5.555 1.00 0.00 H new ATOM 0 HE3 LYS A 42 6.392 -1.355 -6.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 7.928 -2.871 -7.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 7.198 -1.869 -8.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.798 -1.576 -7.802 1.00 0.00 H new ATOM 613 N GLY A 43 11.841 3.723 -8.056 1.00 0.00 N ATOM 614 CA GLY A 43 13.129 3.267 -8.544 1.00 0.00 C ATOM 615 C GLY A 43 13.623 4.080 -9.725 1.00 0.00 C ATOM 616 O GLY A 43 13.436 5.296 -9.790 1.00 0.00 O ATOM 0 H GLY A 43 11.676 4.725 -8.155 1.00 0.00 H new ATOM 0 HA2 GLY A 43 13.860 3.323 -7.737 1.00 0.00 H new ATOM 0 HA3 GLY A 43 13.054 2.219 -8.834 1.00 0.00 H new ATOM 620 N PRO A 44 14.271 3.404 -10.684 1.00 0.00 N ATOM 621 CA PRO A 44 14.808 4.053 -11.885 1.00 0.00 C ATOM 622 C PRO A 44 13.708 4.529 -12.827 1.00 0.00 C ATOM 623 O PRO A 44 13.985 5.030 -13.916 1.00 0.00 O ATOM 624 CB PRO A 44 15.636 2.947 -12.545 1.00 0.00 C ATOM 625 CG PRO A 44 15.023 1.677 -12.065 1.00 0.00 C ATOM 626 CD PRO A 44 14.531 1.955 -10.672 1.00 0.00 C ATOM 0 HA PRO A 44 15.382 4.948 -11.643 1.00 0.00 H new ATOM 0 HB2 PRO A 44 15.598 3.019 -13.632 1.00 0.00 H new ATOM 0 HB3 PRO A 44 16.685 3.013 -12.258 1.00 0.00 H new ATOM 0 HG2 PRO A 44 14.203 1.370 -12.714 1.00 0.00 H new ATOM 0 HG3 PRO A 44 15.752 0.867 -12.067 1.00 0.00 H new ATOM 0 HD2 PRO A 44 13.629 1.387 -10.444 1.00 0.00 H new ATOM 0 HD3 PRO A 44 15.275 1.687 -9.922 1.00 0.00 H new ATOM 634 N GLU A 45 12.459 4.368 -12.401 1.00 0.00 N ATOM 635 CA GLU A 45 11.317 4.781 -13.209 1.00 0.00 C ATOM 636 C GLU A 45 10.475 5.817 -12.470 1.00 0.00 C ATOM 637 O GLU A 45 10.730 6.126 -11.305 1.00 0.00 O ATOM 638 CB GLU A 45 10.455 3.570 -13.570 1.00 0.00 C ATOM 639 CG GLU A 45 10.846 2.915 -14.884 1.00 0.00 C ATOM 640 CD GLU A 45 10.562 1.426 -14.900 1.00 0.00 C ATOM 641 OE1 GLU A 45 11.200 0.692 -14.116 1.00 0.00 O ATOM 642 OE2 GLU A 45 9.703 0.994 -15.697 1.00 0.00 O ATOM 0 H GLU A 45 12.212 3.955 -11.502 1.00 0.00 H new ATOM 0 HA GLU A 45 11.697 5.233 -14.125 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.526 2.832 -12.771 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.412 3.881 -13.625 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.304 3.393 -15.700 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.908 3.081 -15.067 1.00 0.00 H new ATOM 649 N THR A 46 9.469 6.352 -13.156 1.00 0.00 N ATOM 650 CA THR A 46 8.590 7.354 -12.567 1.00 0.00 C ATOM 651 C THR A 46 7.168 6.823 -12.426 1.00 0.00 C ATOM 652 O THR A 46 6.643 6.177 -13.334 1.00 0.00 O ATOM 653 CB THR A 46 8.564 8.643 -13.410 1.00 0.00 C ATOM 654 OG1 THR A 46 9.845 8.863 -14.009 1.00 0.00 O ATOM 655 CG2 THR A 46 8.186 9.842 -12.553 1.00 0.00 C ATOM 0 H THR A 46 9.243 6.108 -14.120 1.00 0.00 H new ATOM 0 HA THR A 46 8.989 7.583 -11.579 1.00 0.00 H new ATOM 0 HB THR A 46 7.814 8.524 -14.192 1.00 0.00 H new ATOM 0 HG1 THR A 46 9.819 9.683 -14.544 1.00 0.00 H new ATOM 0 HG21 THR A 46 8.174 10.741 -13.170 1.00 0.00 H new ATOM 0 HG22 THR A 46 7.197 9.684 -12.122 1.00 0.00 H new ATOM 0 HG23 THR A 46 8.916 9.961 -11.752 1.00 0.00 H new ATOM 663 N LEU A 47 6.549 7.099 -11.284 1.00 0.00 N ATOM 664 CA LEU A 47 5.185 6.650 -11.024 1.00 0.00 C ATOM 665 C LEU A 47 4.184 7.770 -11.283 1.00 0.00 C ATOM 666 O LEU A 47 4.559 8.869 -11.694 1.00 0.00 O ATOM 667 CB LEU A 47 5.055 6.158 -9.582 1.00 0.00 C ATOM 668 CG LEU A 47 5.864 4.911 -9.222 1.00 0.00 C ATOM 669 CD1 LEU A 47 5.643 4.532 -7.766 1.00 0.00 C ATOM 670 CD2 LEU A 47 5.495 3.753 -10.138 1.00 0.00 C ATOM 0 H LEU A 47 6.970 7.632 -10.523 1.00 0.00 H new ATOM 0 HA LEU A 47 4.965 5.827 -11.704 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.355 6.966 -8.915 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.003 5.954 -9.382 1.00 0.00 H new ATOM 0 HG LEU A 47 6.922 5.136 -9.361 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.227 3.643 -7.529 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.958 5.355 -7.124 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.585 4.327 -7.600 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.080 2.874 -9.867 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.434 3.529 -10.032 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.706 4.025 -11.172 1.00 0.00 H new ATOM 682 N ARG A 48 2.909 7.486 -11.039 1.00 0.00 N ATOM 683 CA ARG A 48 1.853 8.471 -11.245 1.00 0.00 C ATOM 684 C ARG A 48 0.627 8.137 -10.402 1.00 0.00 C ATOM 685 O ARG A 48 0.522 7.043 -9.846 1.00 0.00 O ATOM 686 CB ARG A 48 1.467 8.533 -12.724 1.00 0.00 C ATOM 687 CG ARG A 48 2.536 9.155 -13.607 1.00 0.00 C ATOM 688 CD ARG A 48 3.473 8.100 -14.175 1.00 0.00 C ATOM 689 NE ARG A 48 3.010 7.595 -15.465 1.00 0.00 N ATOM 690 CZ ARG A 48 3.582 6.581 -16.105 1.00 0.00 C ATOM 691 NH1 ARG A 48 4.632 5.967 -15.578 1.00 0.00 N ATOM 692 NH2 ARG A 48 3.103 6.179 -17.275 1.00 0.00 N ATOM 0 H ARG A 48 2.582 6.582 -10.698 1.00 0.00 H new ATOM 0 HA ARG A 48 2.232 9.445 -10.934 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.257 7.524 -13.078 1.00 0.00 H new ATOM 0 HB3 ARG A 48 0.545 9.105 -12.826 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.063 9.700 -14.424 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.110 9.880 -13.030 1.00 0.00 H new ATOM 0 HD2 ARG A 48 4.471 8.524 -14.289 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.557 7.272 -13.471 1.00 0.00 H new ATOM 0 HE ARG A 48 2.204 8.045 -15.898 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.003 6.273 -14.678 1.00 0.00 H new ATOM 0 HH12 ARG A 48 5.069 5.189 -16.072 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.295 6.649 -17.684 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.543 5.400 -17.766 1.00 0.00 H new ATOM 706 N ASP A 49 -0.298 9.086 -10.310 1.00 0.00 N ATOM 707 CA ASP A 49 -1.518 8.893 -9.535 1.00 0.00 C ATOM 708 C ASP A 49 -2.636 8.336 -10.411 1.00 0.00 C ATOM 709 O ASP A 49 -3.115 9.006 -11.324 1.00 0.00 O ATOM 710 CB ASP A 49 -1.959 10.214 -8.902 1.00 0.00 C ATOM 711 CG ASP A 49 -2.739 11.086 -9.866 1.00 0.00 C ATOM 712 OD1 ASP A 49 -2.103 11.851 -10.621 1.00 0.00 O ATOM 713 OD2 ASP A 49 -3.985 11.005 -9.866 1.00 0.00 O ATOM 0 H ASP A 49 -0.226 9.997 -10.763 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.307 8.172 -8.745 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.573 10.006 -8.026 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.081 10.758 -8.554 1.00 0.00 H new ATOM 756 N TYR A 53 -2.641 3.472 -7.703 1.00 0.00 N ATOM 757 CA TYR A 53 -1.819 4.420 -6.960 1.00 0.00 C ATOM 758 C TYR A 53 -2.600 5.694 -6.653 1.00 0.00 C ATOM 759 O TYR A 53 -3.110 6.356 -7.557 1.00 0.00 O ATOM 760 CB TYR A 53 -0.556 4.761 -7.752 1.00 0.00 C ATOM 761 CG TYR A 53 0.293 3.555 -8.087 1.00 0.00 C ATOM 762 CD1 TYR A 53 1.120 2.977 -7.131 1.00 0.00 C ATOM 763 CD2 TYR A 53 0.270 2.996 -9.358 1.00 0.00 C ATOM 764 CE1 TYR A 53 1.898 1.876 -7.433 1.00 0.00 C ATOM 765 CE2 TYR A 53 1.043 1.894 -9.668 1.00 0.00 C ATOM 766 CZ TYR A 53 1.856 1.338 -8.702 1.00 0.00 C ATOM 767 OH TYR A 53 2.629 0.241 -9.007 1.00 0.00 O ATOM 0 HA TYR A 53 -1.534 3.954 -6.017 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.842 5.262 -8.677 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.043 5.468 -7.178 1.00 0.00 H new ATOM 0 HD1 TYR A 53 1.155 3.395 -6.136 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.363 3.430 -10.117 1.00 0.00 H new ATOM 0 HE1 TYR A 53 2.536 1.439 -6.679 1.00 0.00 H new ATOM 0 HE2 TYR A 53 1.011 1.470 -10.661 1.00 0.00 H new ATOM 0 HH TYR A 53 2.482 -0.013 -9.942 1.00 0.00 H new ATOM 777 N SER A 54 -2.689 6.031 -5.370 1.00 0.00 N ATOM 778 CA SER A 54 -3.410 7.224 -4.941 1.00 0.00 C ATOM 779 C SER A 54 -2.512 8.129 -4.104 1.00 0.00 C ATOM 780 O SER A 54 -2.087 7.761 -3.009 1.00 0.00 O ATOM 781 CB SER A 54 -4.652 6.833 -4.137 1.00 0.00 C ATOM 782 OG SER A 54 -5.777 6.673 -4.983 1.00 0.00 O ATOM 0 H SER A 54 -2.271 5.495 -4.610 1.00 0.00 H new ATOM 0 HA SER A 54 -3.720 7.772 -5.831 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.463 5.904 -3.598 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.861 7.598 -3.389 1.00 0.00 H new ATOM 0 HG SER A 54 -6.149 5.774 -4.867 1.00 0.00 H new ATOM 788 N LEU A 55 -2.228 9.317 -4.628 1.00 0.00 N ATOM 789 CA LEU A 55 -1.380 10.277 -3.930 1.00 0.00 C ATOM 790 C LEU A 55 -2.160 11.543 -3.587 1.00 0.00 C ATOM 791 O LEU A 55 -2.409 12.385 -4.450 1.00 0.00 O ATOM 792 CB LEU A 55 -0.164 10.631 -4.787 1.00 0.00 C ATOM 793 CG LEU A 55 0.550 9.456 -5.457 1.00 0.00 C ATOM 794 CD1 LEU A 55 -0.197 9.019 -6.707 1.00 0.00 C ATOM 795 CD2 LEU A 55 1.987 9.827 -5.795 1.00 0.00 C ATOM 0 H LEU A 55 -2.572 9.638 -5.533 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.041 9.817 -3.002 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.482 11.327 -5.563 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.556 11.158 -4.161 1.00 0.00 H new ATOM 0 HG LEU A 55 0.566 8.620 -4.758 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.326 8.182 -7.170 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.207 8.711 -6.438 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.246 9.850 -7.411 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.479 8.979 -6.271 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.993 10.679 -6.475 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.520 10.090 -4.881 1.00 0.00 H new ATOM 807 N LYS A 56 -2.541 11.671 -2.321 1.00 0.00 N ATOM 808 CA LYS A 56 -3.290 12.835 -1.861 1.00 0.00 C ATOM 809 C LYS A 56 -2.361 13.860 -1.219 1.00 0.00 C ATOM 810 O LYS A 56 -1.711 13.577 -0.212 1.00 0.00 O ATOM 811 CB LYS A 56 -4.368 12.411 -0.861 1.00 0.00 C ATOM 812 CG LYS A 56 -5.310 13.536 -0.469 1.00 0.00 C ATOM 813 CD LYS A 56 -6.602 13.001 0.125 1.00 0.00 C ATOM 814 CE LYS A 56 -6.460 12.729 1.615 1.00 0.00 C ATOM 815 NZ LYS A 56 -6.412 13.990 2.407 1.00 0.00 N ATOM 0 H LYS A 56 -2.344 10.983 -1.594 1.00 0.00 H new ATOM 0 HA LYS A 56 -3.767 13.295 -2.727 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.949 11.595 -1.290 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -3.887 12.022 0.036 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -4.819 14.188 0.254 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.536 14.144 -1.345 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -7.405 13.720 -0.040 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -6.887 12.082 -0.388 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.297 12.119 1.954 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.552 12.153 1.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.554 13.773 3.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.486 14.446 2.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.163 14.633 2.083 1.00 0.00 H new ATOM 829 N GLN A 57 -2.304 15.051 -1.806 1.00 0.00 N ATOM 830 CA GLN A 57 -1.455 16.118 -1.290 1.00 0.00 C ATOM 831 C GLN A 57 -2.206 16.965 -0.268 1.00 0.00 C ATOM 832 O GLN A 57 -3.432 17.061 -0.308 1.00 0.00 O ATOM 833 CB GLN A 57 -0.956 17.001 -2.435 1.00 0.00 C ATOM 834 CG GLN A 57 -0.485 18.374 -1.983 1.00 0.00 C ATOM 835 CD GLN A 57 0.463 19.021 -2.974 1.00 0.00 C ATOM 836 OE1 GLN A 57 0.072 19.370 -4.088 1.00 0.00 O ATOM 837 NE2 GLN A 57 1.718 19.184 -2.572 1.00 0.00 N ATOM 0 H GLN A 57 -2.836 15.301 -2.640 1.00 0.00 H new ATOM 0 HA GLN A 57 -0.599 15.660 -0.795 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -0.136 16.494 -2.943 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -1.757 17.123 -3.165 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.350 19.021 -1.838 1.00 0.00 H new ATOM 0 HG3 GLN A 57 0.011 18.284 -1.017 1.00 0.00 H new ATOM 0 HE21 GLN A 57 1.998 18.880 -1.640 1.00 0.00 H new ATOM 0 HE22 GLN A 57 2.402 19.613 -3.196 1.00 0.00 H new ATOM 846 N ASP A 58 -1.462 17.577 0.646 1.00 0.00 N ATOM 847 CA ASP A 58 -2.057 18.417 1.679 1.00 0.00 C ATOM 848 C ASP A 58 -1.035 19.404 2.233 1.00 0.00 C ATOM 849 O ASP A 58 0.130 19.396 1.836 1.00 0.00 O ATOM 850 CB ASP A 58 -2.615 17.553 2.811 1.00 0.00 C ATOM 851 CG ASP A 58 -3.900 16.848 2.421 1.00 0.00 C ATOM 852 OD1 ASP A 58 -4.953 17.517 2.375 1.00 0.00 O ATOM 853 OD2 ASP A 58 -3.852 15.627 2.164 1.00 0.00 O ATOM 0 H ASP A 58 -0.445 17.507 0.693 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.873 18.982 1.227 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.870 16.811 3.099 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.798 18.178 3.685 1.00 0.00 H new ATOM 858 N GLY A 59 -1.479 20.255 3.153 1.00 0.00 N ATOM 859 CA GLY A 59 -0.590 21.238 3.746 1.00 0.00 C ATOM 860 C GLY A 59 0.778 20.667 4.059 1.00 0.00 C ATOM 861 O GLY A 59 0.948 19.940 5.039 1.00 0.00 O ATOM 0 H GLY A 59 -2.438 20.281 3.498 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.481 22.082 3.065 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.038 21.623 4.662 1.00 0.00 H new ATOM 865 N THR A 60 1.760 20.994 3.224 1.00 0.00 N ATOM 866 CA THR A 60 3.120 20.506 3.415 1.00 0.00 C ATOM 867 C THR A 60 3.124 19.054 3.878 1.00 0.00 C ATOM 868 O THR A 60 3.934 18.663 4.719 1.00 0.00 O ATOM 869 CB THR A 60 3.885 21.363 4.442 1.00 0.00 C ATOM 870 OG1 THR A 60 2.995 21.798 5.476 1.00 0.00 O ATOM 871 CG2 THR A 60 4.521 22.571 3.772 1.00 0.00 C ATOM 0 H THR A 60 1.638 21.595 2.409 1.00 0.00 H new ATOM 0 HA THR A 60 3.620 20.577 2.449 1.00 0.00 H new ATOM 0 HB THR A 60 4.675 20.751 4.877 1.00 0.00 H new ATOM 0 HG1 THR A 60 2.568 21.019 5.889 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.055 23.161 4.517 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.219 22.236 3.005 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.745 23.183 3.313 1.00 0.00 H new ATOM 879 N ARG A 61 2.214 18.259 3.325 1.00 0.00 N ATOM 880 CA ARG A 61 2.113 16.849 3.682 1.00 0.00 C ATOM 881 C ARG A 61 1.452 16.051 2.563 1.00 0.00 C ATOM 882 O ARG A 61 0.428 16.461 2.015 1.00 0.00 O ATOM 883 CB ARG A 61 1.317 16.686 4.979 1.00 0.00 C ATOM 884 CG ARG A 61 2.179 16.723 6.230 1.00 0.00 C ATOM 885 CD ARG A 61 1.336 16.596 7.490 1.00 0.00 C ATOM 886 NE ARG A 61 0.613 15.328 7.540 1.00 0.00 N ATOM 887 CZ ARG A 61 1.186 14.167 7.836 1.00 0.00 C ATOM 888 NH1 ARG A 61 2.482 14.113 8.109 1.00 0.00 N ATOM 889 NH2 ARG A 61 0.461 13.055 7.861 1.00 0.00 N ATOM 0 H ARG A 61 1.536 18.567 2.628 1.00 0.00 H new ATOM 0 HA ARG A 61 3.122 16.464 3.832 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.570 17.477 5.039 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.777 15.740 4.948 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.908 15.913 6.195 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.741 17.657 6.259 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.979 16.681 8.366 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.625 17.421 7.535 1.00 0.00 H new ATOM 0 HE ARG A 61 -0.386 15.334 7.336 1.00 0.00 H new ATOM 0 HH11 ARG A 61 3.043 14.965 8.092 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.919 13.220 8.336 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.537 13.092 7.653 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.902 12.164 8.088 1.00 0.00 H new ATOM 903 N CYS A 62 2.043 14.909 2.228 1.00 0.00 N ATOM 904 CA CYS A 62 1.512 14.053 1.173 1.00 0.00 C ATOM 905 C CYS A 62 1.322 12.626 1.675 1.00 0.00 C ATOM 906 O CYS A 62 2.078 12.149 2.520 1.00 0.00 O ATOM 907 CB CYS A 62 2.448 14.061 -0.037 1.00 0.00 C ATOM 908 SG CYS A 62 2.694 15.695 -0.770 1.00 0.00 S ATOM 0 H CYS A 62 2.890 14.555 2.672 1.00 0.00 H new ATOM 0 HA CYS A 62 0.540 14.446 0.874 1.00 0.00 H new ATOM 0 HB2 CYS A 62 3.416 13.660 0.264 1.00 0.00 H new ATOM 0 HB3 CYS A 62 2.047 13.390 -0.797 1.00 0.00 H new ATOM 0 HG CYS A 62 2.013 16.578 -0.101 1.00 0.00 H new ATOM 914 N GLU A 63 0.304 11.950 1.150 1.00 0.00 N ATOM 915 CA GLU A 63 0.013 10.578 1.548 1.00 0.00 C ATOM 916 C GLU A 63 -0.104 9.671 0.326 1.00 0.00 C ATOM 917 O GLU A 63 -1.020 9.817 -0.484 1.00 0.00 O ATOM 918 CB GLU A 63 -1.280 10.523 2.363 1.00 0.00 C ATOM 919 CG GLU A 63 -1.711 9.112 2.728 1.00 0.00 C ATOM 920 CD GLU A 63 -2.903 9.090 3.665 1.00 0.00 C ATOM 921 OE1 GLU A 63 -3.903 9.776 3.370 1.00 0.00 O ATOM 922 OE2 GLU A 63 -2.834 8.386 4.694 1.00 0.00 O ATOM 0 H GLU A 63 -0.332 12.330 0.449 1.00 0.00 H new ATOM 0 HA GLU A 63 0.838 10.223 2.166 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.148 11.101 3.277 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.078 11.002 1.795 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.959 8.565 1.818 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.876 8.591 3.196 1.00 0.00 H new ATOM 929 N LEU A 64 0.830 8.735 0.200 1.00 0.00 N ATOM 930 CA LEU A 64 0.833 7.803 -0.922 1.00 0.00 C ATOM 931 C LEU A 64 0.170 6.484 -0.537 1.00 0.00 C ATOM 932 O LEU A 64 0.530 5.867 0.464 1.00 0.00 O ATOM 933 CB LEU A 64 2.266 7.547 -1.394 1.00 0.00 C ATOM 934 CG LEU A 64 2.465 6.339 -2.309 1.00 0.00 C ATOM 935 CD1 LEU A 64 1.708 6.527 -3.615 1.00 0.00 C ATOM 936 CD2 LEU A 64 3.946 6.112 -2.578 1.00 0.00 C ATOM 0 H LEU A 64 1.595 8.601 0.861 1.00 0.00 H new ATOM 0 HA LEU A 64 0.263 8.251 -1.736 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.619 8.436 -1.917 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.899 7.421 -0.516 1.00 0.00 H new ATOM 0 HG LEU A 64 2.067 5.458 -1.806 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.862 5.657 -4.253 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.644 6.640 -3.406 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.075 7.419 -4.123 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.069 5.248 -3.231 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.368 6.994 -3.060 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.463 5.931 -1.636 1.00 0.00 H new ATOM 948 N GLN A 65 -0.800 6.059 -1.341 1.00 0.00 N ATOM 949 CA GLN A 65 -1.512 4.813 -1.085 1.00 0.00 C ATOM 950 C GLN A 65 -1.389 3.862 -2.271 1.00 0.00 C ATOM 951 O GLN A 65 -1.626 4.248 -3.416 1.00 0.00 O ATOM 952 CB GLN A 65 -2.987 5.095 -0.793 1.00 0.00 C ATOM 953 CG GLN A 65 -3.243 5.597 0.619 1.00 0.00 C ATOM 954 CD GLN A 65 -4.449 6.511 0.704 1.00 0.00 C ATOM 955 OE1 GLN A 65 -4.639 7.387 -0.140 1.00 0.00 O ATOM 956 NE2 GLN A 65 -5.272 6.312 1.727 1.00 0.00 N ATOM 0 H GLN A 65 -1.110 6.559 -2.174 1.00 0.00 H new ATOM 0 HA GLN A 65 -1.061 4.338 -0.214 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.355 5.834 -1.505 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.562 4.183 -0.955 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.390 4.745 1.282 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.362 6.130 0.976 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.076 5.574 2.403 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.100 6.897 1.836 1.00 0.00 H new ATOM 965 N ILE A 66 -1.017 2.618 -1.989 1.00 0.00 N ATOM 966 CA ILE A 66 -0.863 1.612 -3.033 1.00 0.00 C ATOM 967 C ILE A 66 -1.880 0.488 -2.866 1.00 0.00 C ATOM 968 O ILE A 66 -1.659 -0.457 -2.107 1.00 0.00 O ATOM 969 CB ILE A 66 0.555 1.011 -3.031 1.00 0.00 C ATOM 970 CG1 ILE A 66 1.599 2.114 -2.849 1.00 0.00 C ATOM 971 CG2 ILE A 66 0.806 0.244 -4.320 1.00 0.00 C ATOM 972 CD1 ILE A 66 2.915 1.615 -2.293 1.00 0.00 C ATOM 0 H ILE A 66 -0.817 2.283 -1.047 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.034 2.115 -3.985 1.00 0.00 H new ATOM 0 HB ILE A 66 0.639 0.316 -2.195 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.779 2.595 -3.810 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.198 2.876 -2.181 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.812 -0.175 -4.304 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.078 -0.563 -4.411 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.708 0.919 -5.170 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.607 2.451 -2.190 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.748 1.160 -1.317 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.339 0.874 -2.971 1.00 0.00 H new ATOM 984 N HIS A 67 -2.995 0.594 -3.582 1.00 0.00 N ATOM 985 CA HIS A 67 -4.045 -0.415 -3.516 1.00 0.00 C ATOM 986 C HIS A 67 -3.571 -1.733 -4.121 1.00 0.00 C ATOM 987 O HIS A 67 -2.909 -1.749 -5.159 1.00 0.00 O ATOM 988 CB HIS A 67 -5.297 0.073 -4.246 1.00 0.00 C ATOM 989 CG HIS A 67 -5.692 1.473 -3.888 1.00 0.00 C ATOM 990 ND1 HIS A 67 -6.507 1.774 -2.817 1.00 0.00 N ATOM 991 CD2 HIS A 67 -5.377 2.656 -4.464 1.00 0.00 C ATOM 992 CE1 HIS A 67 -6.678 3.083 -2.751 1.00 0.00 C ATOM 993 NE2 HIS A 67 -6.002 3.641 -3.740 1.00 0.00 N ATOM 0 H HIS A 67 -3.194 1.369 -4.215 1.00 0.00 H new ATOM 0 HA HIS A 67 -4.287 -0.583 -2.467 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -5.126 0.016 -5.321 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -6.125 -0.599 -4.019 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -6.914 1.093 -2.176 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -4.750 2.799 -5.332 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -7.269 3.607 -2.015 1.00 0.00 H new ATOM 1002 N ASP A 68 -3.913 -2.836 -3.465 1.00 0.00 N ATOM 1003 CA ASP A 68 -3.523 -4.160 -3.938 1.00 0.00 C ATOM 1004 C ASP A 68 -2.044 -4.419 -3.666 1.00 0.00 C ATOM 1005 O ASP A 68 -1.291 -4.786 -4.569 1.00 0.00 O ATOM 1006 CB ASP A 68 -3.811 -4.295 -5.434 1.00 0.00 C ATOM 1007 CG ASP A 68 -4.000 -5.738 -5.858 1.00 0.00 C ATOM 1008 OD1 ASP A 68 -4.880 -6.414 -5.285 1.00 0.00 O ATOM 1009 OD2 ASP A 68 -3.268 -6.192 -6.763 1.00 0.00 O ATOM 0 H ASP A 68 -4.460 -2.840 -2.604 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.109 -4.901 -3.395 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.707 -3.726 -5.682 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.989 -3.857 -6.000 1.00 0.00 H new ATOM 1014 N LEU A 69 -1.635 -4.226 -2.417 1.00 0.00 N ATOM 1015 CA LEU A 69 -0.246 -4.438 -2.026 1.00 0.00 C ATOM 1016 C LEU A 69 0.208 -5.852 -2.375 1.00 0.00 C ATOM 1017 O LEU A 69 -0.613 -6.732 -2.634 1.00 0.00 O ATOM 1018 CB LEU A 69 -0.074 -4.190 -0.527 1.00 0.00 C ATOM 1019 CG LEU A 69 0.251 -2.753 -0.117 1.00 0.00 C ATOM 1020 CD1 LEU A 69 0.160 -2.595 1.393 1.00 0.00 C ATOM 1021 CD2 LEU A 69 1.633 -2.356 -0.614 1.00 0.00 C ATOM 0 H LEU A 69 -2.245 -3.923 -1.658 1.00 0.00 H new ATOM 0 HA LEU A 69 0.373 -3.731 -2.578 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.991 -4.492 -0.022 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.721 -4.840 -0.160 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.482 -2.090 -0.576 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.395 -1.566 1.666 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.850 -2.837 1.724 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.870 -3.268 1.873 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.847 -1.330 -0.313 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.380 -3.024 -0.184 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.664 -2.429 -1.701 1.00 0.00 H new ATOM 1033 N SER A 70 1.521 -6.063 -2.377 1.00 0.00 N ATOM 1034 CA SER A 70 2.084 -7.370 -2.695 1.00 0.00 C ATOM 1035 C SER A 70 3.585 -7.395 -2.423 1.00 0.00 C ATOM 1036 O SER A 70 4.246 -6.356 -2.429 1.00 0.00 O ATOM 1037 CB SER A 70 1.813 -7.723 -4.159 1.00 0.00 C ATOM 1038 OG SER A 70 1.709 -9.125 -4.334 1.00 0.00 O ATOM 0 H SER A 70 2.214 -5.346 -2.162 1.00 0.00 H new ATOM 0 HA SER A 70 1.604 -8.111 -2.056 1.00 0.00 H new ATOM 0 HB2 SER A 70 0.891 -7.243 -4.488 1.00 0.00 H new ATOM 0 HB3 SER A 70 2.616 -7.334 -4.785 1.00 0.00 H new ATOM 0 HG SER A 70 1.534 -9.325 -5.277 1.00 0.00 H new ATOM 1044 N VAL A 71 4.117 -8.590 -2.185 1.00 0.00 N ATOM 1045 CA VAL A 71 5.540 -8.752 -1.912 1.00 0.00 C ATOM 1046 C VAL A 71 6.386 -8.055 -2.971 1.00 0.00 C ATOM 1047 O VAL A 71 7.480 -7.568 -2.685 1.00 0.00 O ATOM 1048 CB VAL A 71 5.934 -10.240 -1.853 1.00 0.00 C ATOM 1049 CG1 VAL A 71 5.498 -10.857 -0.533 1.00 0.00 C ATOM 1050 CG2 VAL A 71 5.333 -10.996 -3.029 1.00 0.00 C ATOM 0 H VAL A 71 3.584 -9.460 -2.176 1.00 0.00 H new ATOM 0 HA VAL A 71 5.730 -8.295 -0.941 1.00 0.00 H new ATOM 0 HB VAL A 71 7.020 -10.314 -1.919 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.785 -11.908 -0.510 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.980 -10.331 0.291 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.416 -10.774 -0.433 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.621 -12.046 -2.972 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.246 -10.916 -2.996 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.700 -10.569 -3.962 1.00 0.00 H new ATOM 1060 N ALA A 72 5.872 -8.009 -4.195 1.00 0.00 N ATOM 1061 CA ALA A 72 6.579 -7.368 -5.297 1.00 0.00 C ATOM 1062 C ALA A 72 6.680 -5.862 -5.083 1.00 0.00 C ATOM 1063 O ALA A 72 7.661 -5.233 -5.482 1.00 0.00 O ATOM 1064 CB ALA A 72 5.884 -7.670 -6.617 1.00 0.00 C ATOM 0 H ALA A 72 4.968 -8.408 -4.449 1.00 0.00 H new ATOM 0 HA ALA A 72 7.591 -7.772 -5.331 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.423 -7.185 -7.431 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.869 -8.747 -6.782 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.861 -7.294 -6.584 1.00 0.00 H new ATOM 1070 N ASP A 73 5.662 -5.289 -4.451 1.00 0.00 N ATOM 1071 CA ASP A 73 5.637 -3.856 -4.184 1.00 0.00 C ATOM 1072 C ASP A 73 6.554 -3.505 -3.017 1.00 0.00 C ATOM 1073 O ASP A 73 6.866 -2.336 -2.789 1.00 0.00 O ATOM 1074 CB ASP A 73 4.209 -3.397 -3.882 1.00 0.00 C ATOM 1075 CG ASP A 73 3.352 -3.312 -5.130 1.00 0.00 C ATOM 1076 OD1 ASP A 73 2.845 -4.363 -5.573 1.00 0.00 O ATOM 1077 OD2 ASP A 73 3.190 -2.194 -5.663 1.00 0.00 O ATOM 0 H ASP A 73 4.843 -5.795 -4.114 1.00 0.00 H new ATOM 0 HA ASP A 73 5.996 -3.339 -5.074 1.00 0.00 H new ATOM 0 HB2 ASP A 73 3.750 -4.089 -3.176 1.00 0.00 H new ATOM 0 HB3 ASP A 73 4.239 -2.421 -3.398 1.00 0.00 H new ATOM 1082 N ALA A 74 6.984 -4.525 -2.281 1.00 0.00 N ATOM 1083 CA ALA A 74 7.866 -4.324 -1.138 1.00 0.00 C ATOM 1084 C ALA A 74 9.278 -3.968 -1.591 1.00 0.00 C ATOM 1085 O ALA A 74 10.056 -4.841 -1.975 1.00 0.00 O ATOM 1086 CB ALA A 74 7.889 -5.569 -0.264 1.00 0.00 C ATOM 0 H ALA A 74 6.736 -5.499 -2.456 1.00 0.00 H new ATOM 0 HA ALA A 74 7.478 -3.490 -0.553 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.552 -5.405 0.586 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.882 -5.779 0.096 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.250 -6.416 -0.847 1.00 0.00 H new ATOM 1092 N GLY A 75 9.603 -2.680 -1.545 1.00 0.00 N ATOM 1093 CA GLY A 75 10.921 -2.231 -1.954 1.00 0.00 C ATOM 1094 C GLY A 75 11.292 -0.892 -1.349 1.00 0.00 C ATOM 1095 O GLY A 75 11.333 -0.745 -0.128 1.00 0.00 O ATOM 0 H GLY A 75 8.976 -1.939 -1.231 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.662 -2.976 -1.662 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.955 -2.157 -3.041 1.00 0.00 H new ATOM 1099 N GLU A 76 11.564 0.088 -2.206 1.00 0.00 N ATOM 1100 CA GLU A 76 11.935 1.421 -1.748 1.00 0.00 C ATOM 1101 C GLU A 76 11.278 2.496 -2.609 1.00 0.00 C ATOM 1102 O GLU A 76 11.241 2.387 -3.835 1.00 0.00 O ATOM 1103 CB GLU A 76 13.456 1.589 -1.776 1.00 0.00 C ATOM 1104 CG GLU A 76 13.908 3.040 -1.788 1.00 0.00 C ATOM 1105 CD GLU A 76 14.068 3.589 -3.192 1.00 0.00 C ATOM 1106 OE1 GLU A 76 13.072 4.096 -3.748 1.00 0.00 O ATOM 1107 OE2 GLU A 76 15.191 3.513 -3.734 1.00 0.00 O ATOM 0 H GLU A 76 11.534 -0.017 -3.220 1.00 0.00 H new ATOM 0 HA GLU A 76 11.582 1.536 -0.723 1.00 0.00 H new ATOM 0 HB2 GLU A 76 13.884 1.091 -0.906 1.00 0.00 H new ATOM 0 HB3 GLU A 76 13.852 1.086 -2.658 1.00 0.00 H new ATOM 0 HG2 GLU A 76 13.184 3.647 -1.245 1.00 0.00 H new ATOM 0 HG3 GLU A 76 14.857 3.126 -1.258 1.00 0.00 H new ATOM 1114 N TYR A 77 10.760 3.531 -1.959 1.00 0.00 N ATOM 1115 CA TYR A 77 10.101 4.624 -2.664 1.00 0.00 C ATOM 1116 C TYR A 77 10.820 5.946 -2.413 1.00 0.00 C ATOM 1117 O TYR A 77 11.096 6.309 -1.270 1.00 0.00 O ATOM 1118 CB TYR A 77 8.639 4.735 -2.225 1.00 0.00 C ATOM 1119 CG TYR A 77 7.822 3.499 -2.526 1.00 0.00 C ATOM 1120 CD1 TYR A 77 7.850 2.400 -1.676 1.00 0.00 C ATOM 1121 CD2 TYR A 77 7.022 3.430 -3.660 1.00 0.00 C ATOM 1122 CE1 TYR A 77 7.105 1.268 -1.947 1.00 0.00 C ATOM 1123 CE2 TYR A 77 6.273 2.303 -3.938 1.00 0.00 C ATOM 1124 CZ TYR A 77 6.318 1.225 -3.079 1.00 0.00 C ATOM 1125 OH TYR A 77 5.574 0.100 -3.354 1.00 0.00 O ATOM 0 H TYR A 77 10.783 3.637 -0.945 1.00 0.00 H new ATOM 0 HA TYR A 77 10.138 4.408 -3.732 1.00 0.00 H new ATOM 0 HB2 TYR A 77 8.604 4.932 -1.153 1.00 0.00 H new ATOM 0 HB3 TYR A 77 8.183 5.592 -2.721 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.464 2.431 -0.788 1.00 0.00 H new ATOM 0 HD2 TYR A 77 6.985 4.272 -4.336 1.00 0.00 H new ATOM 0 HE1 TYR A 77 7.139 0.422 -1.276 1.00 0.00 H new ATOM 0 HE2 TYR A 77 5.656 2.266 -4.823 1.00 0.00 H new ATOM 0 HH TYR A 77 6.095 -0.699 -3.131 1.00 0.00 H new ATOM 1135 N SER A 78 11.119 6.663 -3.492 1.00 0.00 N ATOM 1136 CA SER A 78 11.809 7.944 -3.391 1.00 0.00 C ATOM 1137 C SER A 78 10.951 9.070 -3.961 1.00 0.00 C ATOM 1138 O SER A 78 10.280 8.899 -4.980 1.00 0.00 O ATOM 1139 CB SER A 78 13.148 7.885 -4.129 1.00 0.00 C ATOM 1140 OG SER A 78 13.905 6.758 -3.724 1.00 0.00 O ATOM 0 H SER A 78 10.894 6.379 -4.445 1.00 0.00 H new ATOM 0 HA SER A 78 11.992 8.148 -2.336 1.00 0.00 H new ATOM 0 HB2 SER A 78 12.973 7.842 -5.204 1.00 0.00 H new ATOM 0 HB3 SER A 78 13.714 8.796 -3.935 1.00 0.00 H new ATOM 0 HG SER A 78 13.434 5.938 -3.982 1.00 0.00 H new ATOM 1146 N CYS A 79 10.977 10.219 -3.296 1.00 0.00 N ATOM 1147 CA CYS A 79 10.201 11.374 -3.734 1.00 0.00 C ATOM 1148 C CYS A 79 11.101 12.588 -3.936 1.00 0.00 C ATOM 1149 O CYS A 79 11.764 13.044 -3.005 1.00 0.00 O ATOM 1150 CB CYS A 79 9.109 11.697 -2.713 1.00 0.00 C ATOM 1151 SG CYS A 79 7.748 12.686 -3.377 1.00 0.00 S ATOM 0 H CYS A 79 11.527 10.376 -2.451 1.00 0.00 H new ATOM 0 HA CYS A 79 9.735 11.128 -4.688 1.00 0.00 H new ATOM 0 HB2 CYS A 79 8.707 10.764 -2.319 1.00 0.00 H new ATOM 0 HB3 CYS A 79 9.557 12.231 -1.875 1.00 0.00 H new ATOM 0 HG CYS A 79 7.986 12.971 -4.623 1.00 0.00 H new ATOM 1157 N MET A 80 11.119 13.107 -5.160 1.00 0.00 N ATOM 1158 CA MET A 80 11.938 14.269 -5.485 1.00 0.00 C ATOM 1159 C MET A 80 11.104 15.546 -5.459 1.00 0.00 C ATOM 1160 O MET A 80 10.024 15.605 -6.047 1.00 0.00 O ATOM 1161 CB MET A 80 12.585 14.096 -6.860 1.00 0.00 C ATOM 1162 CG MET A 80 13.247 12.742 -7.053 1.00 0.00 C ATOM 1163 SD MET A 80 13.783 12.467 -8.753 1.00 0.00 S ATOM 1164 CE MET A 80 14.331 10.764 -8.664 1.00 0.00 C ATOM 0 H MET A 80 10.576 12.741 -5.942 1.00 0.00 H new ATOM 0 HA MET A 80 12.721 14.352 -4.732 1.00 0.00 H new ATOM 0 HB2 MET A 80 11.826 14.233 -7.630 1.00 0.00 H new ATOM 0 HB3 MET A 80 13.329 14.879 -7.003 1.00 0.00 H new ATOM 0 HG2 MET A 80 14.107 12.664 -6.388 1.00 0.00 H new ATOM 0 HG3 MET A 80 12.549 11.956 -6.765 1.00 0.00 H new ATOM 0 HE1 MET A 80 14.337 10.331 -9.664 1.00 0.00 H new ATOM 0 HE2 MET A 80 15.337 10.727 -8.246 1.00 0.00 H new ATOM 0 HE3 MET A 80 13.653 10.196 -8.027 1.00 0.00 H new ATOM 1174 N CYS A 81 11.612 16.565 -4.775 1.00 0.00 N ATOM 1175 CA CYS A 81 10.913 17.842 -4.672 1.00 0.00 C ATOM 1176 C CYS A 81 11.858 19.004 -4.959 1.00 0.00 C ATOM 1177 O CYS A 81 12.572 19.470 -4.072 1.00 0.00 O ATOM 1178 CB CYS A 81 10.298 18.000 -3.281 1.00 0.00 C ATOM 1179 SG CYS A 81 9.511 19.603 -2.999 1.00 0.00 S ATOM 0 H CYS A 81 12.505 16.532 -4.283 1.00 0.00 H new ATOM 0 HA CYS A 81 10.117 17.853 -5.416 1.00 0.00 H new ATOM 0 HB2 CYS A 81 9.559 17.213 -3.131 1.00 0.00 H new ATOM 0 HB3 CYS A 81 11.077 17.853 -2.532 1.00 0.00 H new ATOM 0 HG CYS A 81 10.399 20.547 -3.102 1.00 0.00 H new ATOM 1185 N GLY A 82 11.859 19.466 -6.205 1.00 0.00 N ATOM 1186 CA GLY A 82 12.722 20.569 -6.587 1.00 0.00 C ATOM 1187 C GLY A 82 14.173 20.151 -6.720 1.00 0.00 C ATOM 1188 O GLY A 82 14.625 19.793 -7.807 1.00 0.00 O ATOM 0 H GLY A 82 11.278 19.096 -6.957 1.00 0.00 H new ATOM 0 HA2 GLY A 82 12.378 20.984 -7.535 1.00 0.00 H new ATOM 0 HA3 GLY A 82 12.642 21.363 -5.844 1.00 0.00 H new ATOM 1192 N GLN A 83 14.904 20.197 -5.611 1.00 0.00 N ATOM 1193 CA GLN A 83 16.313 19.822 -5.610 1.00 0.00 C ATOM 1194 C GLN A 83 16.579 18.710 -4.600 1.00 0.00 C ATOM 1195 O GLN A 83 17.390 17.817 -4.846 1.00 0.00 O ATOM 1196 CB GLN A 83 17.186 21.037 -5.290 1.00 0.00 C ATOM 1197 CG GLN A 83 18.674 20.729 -5.274 1.00 0.00 C ATOM 1198 CD GLN A 83 19.447 21.633 -4.333 1.00 0.00 C ATOM 1199 OE1 GLN A 83 19.713 22.794 -4.648 1.00 0.00 O ATOM 1200 NE2 GLN A 83 19.812 21.105 -3.171 1.00 0.00 N ATOM 0 H GLN A 83 14.544 20.490 -4.703 1.00 0.00 H new ATOM 0 HA GLN A 83 16.566 19.454 -6.604 1.00 0.00 H new ATOM 0 HB2 GLN A 83 16.993 21.817 -6.026 1.00 0.00 H new ATOM 0 HB3 GLN A 83 16.896 21.437 -4.318 1.00 0.00 H new ATOM 0 HG2 GLN A 83 18.823 19.691 -4.978 1.00 0.00 H new ATOM 0 HG3 GLN A 83 19.074 20.834 -6.283 1.00 0.00 H new ATOM 0 HE21 GLN A 83 19.570 20.139 -2.952 1.00 0.00 H new ATOM 0 HE22 GLN A 83 20.334 21.666 -2.498 1.00 0.00 H new ATOM 1209 N GLU A 84 15.891 18.771 -3.464 1.00 0.00 N ATOM 1210 CA GLU A 84 16.055 17.769 -2.418 1.00 0.00 C ATOM 1211 C GLU A 84 15.456 16.432 -2.845 1.00 0.00 C ATOM 1212 O GLU A 84 14.732 16.354 -3.838 1.00 0.00 O ATOM 1213 CB GLU A 84 15.399 18.243 -1.120 1.00 0.00 C ATOM 1214 CG GLU A 84 16.224 19.267 -0.359 1.00 0.00 C ATOM 1215 CD GLU A 84 17.708 18.956 -0.385 1.00 0.00 C ATOM 1216 OE1 GLU A 84 18.367 19.290 -1.391 1.00 0.00 O ATOM 1217 OE2 GLU A 84 18.210 18.379 0.603 1.00 0.00 O ATOM 0 H GLU A 84 15.215 19.503 -3.245 1.00 0.00 H new ATOM 0 HA GLU A 84 17.123 17.631 -2.248 1.00 0.00 H new ATOM 0 HB2 GLU A 84 14.425 18.674 -1.351 1.00 0.00 H new ATOM 0 HB3 GLU A 84 15.222 17.381 -0.477 1.00 0.00 H new ATOM 0 HG2 GLU A 84 16.056 20.255 -0.788 1.00 0.00 H new ATOM 0 HG3 GLU A 84 15.883 19.307 0.675 1.00 0.00 H new ATOM 1224 N ARG A 85 15.763 15.384 -2.089 1.00 0.00 N ATOM 1225 CA ARG A 85 15.257 14.050 -2.390 1.00 0.00 C ATOM 1226 C ARG A 85 15.204 13.192 -1.129 1.00 0.00 C ATOM 1227 O ARG A 85 15.993 13.380 -0.203 1.00 0.00 O ATOM 1228 CB ARG A 85 16.136 13.374 -3.444 1.00 0.00 C ATOM 1229 CG ARG A 85 15.651 11.989 -3.843 1.00 0.00 C ATOM 1230 CD ARG A 85 16.402 11.465 -5.057 1.00 0.00 C ATOM 1231 NE ARG A 85 17.770 11.075 -4.729 1.00 0.00 N ATOM 1232 CZ ARG A 85 18.075 10.007 -4.000 1.00 0.00 C ATOM 1233 NH1 ARG A 85 17.113 9.228 -3.526 1.00 0.00 N ATOM 1234 NH2 ARG A 85 19.344 9.718 -3.743 1.00 0.00 N ATOM 0 H ARG A 85 16.360 15.432 -1.263 1.00 0.00 H new ATOM 0 HA ARG A 85 14.245 14.152 -2.782 1.00 0.00 H new ATOM 0 HB2 ARG A 85 16.176 14.006 -4.331 1.00 0.00 H new ATOM 0 HB3 ARG A 85 17.154 13.297 -3.061 1.00 0.00 H new ATOM 0 HG2 ARG A 85 15.783 11.301 -3.008 1.00 0.00 H new ATOM 0 HG3 ARG A 85 14.584 12.025 -4.061 1.00 0.00 H new ATOM 0 HD2 ARG A 85 15.870 10.608 -5.470 1.00 0.00 H new ATOM 0 HD3 ARG A 85 16.420 12.232 -5.831 1.00 0.00 H new ATOM 0 HE ARG A 85 18.533 11.654 -5.079 1.00 0.00 H new ATOM 0 HH11 ARG A 85 16.136 9.448 -3.721 1.00 0.00 H new ATOM 0 HH12 ARG A 85 17.350 8.409 -2.967 1.00 0.00 H new ATOM 0 HH21 ARG A 85 20.087 10.316 -4.105 1.00 0.00 H new ATOM 0 HH22 ARG A 85 19.577 8.898 -3.183 1.00 0.00 H new ATOM 1248 N THR A 86 14.268 12.248 -1.101 1.00 0.00 N ATOM 1249 CA THR A 86 14.110 11.362 0.045 1.00 0.00 C ATOM 1250 C THR A 86 13.701 9.961 -0.395 1.00 0.00 C ATOM 1251 O THR A 86 13.203 9.769 -1.504 1.00 0.00 O ATOM 1252 CB THR A 86 13.061 11.903 1.034 1.00 0.00 C ATOM 1253 OG1 THR A 86 13.233 11.290 2.316 1.00 0.00 O ATOM 1254 CG2 THR A 86 11.651 11.640 0.525 1.00 0.00 C ATOM 0 H THR A 86 13.608 12.078 -1.860 1.00 0.00 H new ATOM 0 HA THR A 86 15.078 11.316 0.543 1.00 0.00 H new ATOM 0 HB THR A 86 13.202 12.980 1.126 1.00 0.00 H new ATOM 0 HG1 THR A 86 13.262 11.983 3.009 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.927 12.031 1.240 1.00 0.00 H new ATOM 0 HG22 THR A 86 11.513 12.134 -0.437 1.00 0.00 H new ATOM 0 HG23 THR A 86 11.501 10.567 0.407 1.00 0.00 H new ATOM 1262 N SER A 87 13.915 8.984 0.481 1.00 0.00 N ATOM 1263 CA SER A 87 13.572 7.599 0.181 1.00 0.00 C ATOM 1264 C SER A 87 12.958 6.915 1.399 1.00 0.00 C ATOM 1265 O SER A 87 13.165 7.343 2.534 1.00 0.00 O ATOM 1266 CB SER A 87 14.813 6.831 -0.278 1.00 0.00 C ATOM 1267 OG SER A 87 14.460 5.578 -0.838 1.00 0.00 O ATOM 0 H SER A 87 14.324 9.126 1.404 1.00 0.00 H new ATOM 0 HA SER A 87 12.836 7.599 -0.623 1.00 0.00 H new ATOM 0 HB2 SER A 87 15.358 7.421 -1.015 1.00 0.00 H new ATOM 0 HB3 SER A 87 15.484 6.679 0.568 1.00 0.00 H new ATOM 0 HG SER A 87 13.700 5.694 -1.445 1.00 0.00 H new ATOM 1273 N ALA A 88 12.202 5.850 1.153 1.00 0.00 N ATOM 1274 CA ALA A 88 11.560 5.105 2.229 1.00 0.00 C ATOM 1275 C ALA A 88 11.338 3.650 1.832 1.00 0.00 C ATOM 1276 O ALA A 88 10.729 3.362 0.801 1.00 0.00 O ATOM 1277 CB ALA A 88 10.238 5.759 2.607 1.00 0.00 C ATOM 0 H ALA A 88 12.019 5.484 0.219 1.00 0.00 H new ATOM 0 HA ALA A 88 12.222 5.121 3.095 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.769 5.193 3.412 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.420 6.781 2.940 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.578 5.772 1.740 1.00 0.00 H new ATOM 1283 N THR A 89 11.835 2.734 2.657 1.00 0.00 N ATOM 1284 CA THR A 89 11.693 1.308 2.391 1.00 0.00 C ATOM 1285 C THR A 89 10.386 0.770 2.962 1.00 0.00 C ATOM 1286 O THR A 89 10.174 0.783 4.175 1.00 0.00 O ATOM 1287 CB THR A 89 12.867 0.506 2.984 1.00 0.00 C ATOM 1288 OG1 THR A 89 14.097 0.916 2.375 1.00 0.00 O ATOM 1289 CG2 THR A 89 12.664 -0.987 2.773 1.00 0.00 C ATOM 0 H THR A 89 12.340 2.954 3.516 1.00 0.00 H new ATOM 0 HA THR A 89 11.691 1.187 1.308 1.00 0.00 H new ATOM 0 HB THR A 89 12.909 0.703 4.055 1.00 0.00 H new ATOM 0 HG1 THR A 89 14.839 0.403 2.758 1.00 0.00 H new ATOM 0 HG21 THR A 89 13.506 -1.533 3.200 1.00 0.00 H new ATOM 0 HG22 THR A 89 11.742 -1.302 3.262 1.00 0.00 H new ATOM 0 HG23 THR A 89 12.599 -1.198 1.706 1.00 0.00 H new ATOM 1297 N LEU A 90 9.512 0.296 2.081 1.00 0.00 N ATOM 1298 CA LEU A 90 8.224 -0.248 2.498 1.00 0.00 C ATOM 1299 C LEU A 90 8.358 -1.712 2.904 1.00 0.00 C ATOM 1300 O LEU A 90 9.150 -2.459 2.329 1.00 0.00 O ATOM 1301 CB LEU A 90 7.201 -0.112 1.369 1.00 0.00 C ATOM 1302 CG LEU A 90 5.912 -0.917 1.530 1.00 0.00 C ATOM 1303 CD1 LEU A 90 4.857 -0.096 2.256 1.00 0.00 C ATOM 1304 CD2 LEU A 90 5.394 -1.374 0.174 1.00 0.00 C ATOM 0 H LEU A 90 9.671 0.277 1.074 1.00 0.00 H new ATOM 0 HA LEU A 90 7.880 0.320 3.362 1.00 0.00 H new ATOM 0 HB2 LEU A 90 6.938 0.941 1.269 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.678 -0.411 0.436 1.00 0.00 H new ATOM 0 HG LEU A 90 6.132 -1.801 2.129 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.946 -0.685 2.361 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.227 0.180 3.243 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.641 0.806 1.684 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.476 -1.946 0.309 1.00 0.00 H new ATOM 0 HD22 LEU A 90 5.191 -0.504 -0.450 1.00 0.00 H new ATOM 0 HD23 LEU A 90 6.144 -2.001 -0.310 1.00 0.00 H new ATOM 1316 N THR A 91 7.575 -2.118 3.899 1.00 0.00 N ATOM 1317 CA THR A 91 7.604 -3.493 4.383 1.00 0.00 C ATOM 1318 C THR A 91 6.293 -4.210 4.081 1.00 0.00 C ATOM 1319 O THR A 91 5.222 -3.765 4.493 1.00 0.00 O ATOM 1320 CB THR A 91 7.871 -3.550 5.899 1.00 0.00 C ATOM 1321 OG1 THR A 91 8.964 -2.689 6.237 1.00 0.00 O ATOM 1322 CG2 THR A 91 8.184 -4.972 6.340 1.00 0.00 C ATOM 0 H THR A 91 6.913 -1.514 4.386 1.00 0.00 H new ATOM 0 HA THR A 91 8.418 -3.995 3.860 1.00 0.00 H new ATOM 0 HB THR A 91 6.972 -3.215 6.417 1.00 0.00 H new ATOM 0 HG1 THR A 91 9.126 -2.730 7.203 1.00 0.00 H new ATOM 0 HG21 THR A 91 8.369 -4.987 7.414 1.00 0.00 H new ATOM 0 HG22 THR A 91 7.338 -5.619 6.108 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.069 -5.329 5.814 1.00 0.00 H new ATOM 1330 N VAL A 92 6.385 -5.323 3.361 1.00 0.00 N ATOM 1331 CA VAL A 92 5.205 -6.104 3.006 1.00 0.00 C ATOM 1332 C VAL A 92 5.292 -7.518 3.569 1.00 0.00 C ATOM 1333 O VAL A 92 6.327 -8.176 3.464 1.00 0.00 O ATOM 1334 CB VAL A 92 5.022 -6.181 1.479 1.00 0.00 C ATOM 1335 CG1 VAL A 92 3.693 -6.835 1.133 1.00 0.00 C ATOM 1336 CG2 VAL A 92 5.121 -4.795 0.860 1.00 0.00 C ATOM 0 H VAL A 92 7.264 -5.705 3.012 1.00 0.00 H new ATOM 0 HA VAL A 92 4.345 -5.595 3.442 1.00 0.00 H new ATOM 0 HB VAL A 92 5.821 -6.796 1.065 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.581 -6.881 0.050 1.00 0.00 H new ATOM 0 HG12 VAL A 92 3.666 -7.844 1.543 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.878 -6.249 1.558 1.00 0.00 H new ATOM 0 HG21 VAL A 92 4.989 -4.868 -0.220 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.345 -4.154 1.277 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.100 -4.368 1.078 1.00 0.00 H new ATOM 1346 N ARG A 93 4.198 -7.979 4.166 1.00 0.00 N ATOM 1347 CA ARG A 93 4.151 -9.316 4.746 1.00 0.00 C ATOM 1348 C ARG A 93 3.375 -10.273 3.845 1.00 0.00 C ATOM 1349 O ARG A 93 2.230 -10.007 3.481 1.00 0.00 O ATOM 1350 CB ARG A 93 3.508 -9.271 6.133 1.00 0.00 C ATOM 1351 CG ARG A 93 4.504 -9.049 7.260 1.00 0.00 C ATOM 1352 CD ARG A 93 4.868 -7.579 7.400 1.00 0.00 C ATOM 1353 NE ARG A 93 6.220 -7.398 7.922 1.00 0.00 N ATOM 1354 CZ ARG A 93 6.581 -7.728 9.157 1.00 0.00 C ATOM 1355 NH1 ARG A 93 5.696 -8.254 9.992 1.00 0.00 N ATOM 1356 NH2 ARG A 93 7.830 -7.532 9.559 1.00 0.00 N ATOM 0 H ARG A 93 3.333 -7.447 4.261 1.00 0.00 H new ATOM 0 HA ARG A 93 5.174 -9.680 4.839 1.00 0.00 H new ATOM 0 HB2 ARG A 93 2.765 -8.474 6.154 1.00 0.00 H new ATOM 0 HB3 ARG A 93 2.977 -10.206 6.308 1.00 0.00 H new ATOM 0 HG2 ARG A 93 4.081 -9.411 8.197 1.00 0.00 H new ATOM 0 HG3 ARG A 93 5.405 -9.632 7.071 1.00 0.00 H new ATOM 0 HD2 ARG A 93 4.786 -7.091 6.429 1.00 0.00 H new ATOM 0 HD3 ARG A 93 4.155 -7.090 8.064 1.00 0.00 H new ATOM 0 HE ARG A 93 6.925 -6.996 7.305 1.00 0.00 H new ATOM 0 HH11 ARG A 93 4.735 -8.406 9.687 1.00 0.00 H new ATOM 0 HH12 ARG A 93 5.976 -8.506 10.940 1.00 0.00 H new ATOM 0 HH21 ARG A 93 8.514 -7.128 8.920 1.00 0.00 H new ATOM 0 HH22 ARG A 93 8.106 -7.786 10.508 1.00 0.00 H new ATOM 1370 N ALA A 94 4.008 -11.386 3.489 1.00 0.00 N ATOM 1371 CA ALA A 94 3.377 -12.382 2.633 1.00 0.00 C ATOM 1372 C ALA A 94 2.319 -13.173 3.396 1.00 0.00 C ATOM 1373 O ALA A 94 2.526 -13.553 4.550 1.00 0.00 O ATOM 1374 CB ALA A 94 4.425 -13.321 2.055 1.00 0.00 C ATOM 0 H ALA A 94 4.957 -11.620 3.780 1.00 0.00 H new ATOM 0 HA ALA A 94 2.882 -11.859 1.815 1.00 0.00 H new ATOM 0 HB1 ALA A 94 3.939 -14.060 1.418 1.00 0.00 H new ATOM 0 HB2 ALA A 94 5.141 -12.748 1.466 1.00 0.00 H new ATOM 0 HB3 ALA A 94 4.946 -13.829 2.867 1.00 0.00 H new ATOM 1380 N LEU A 95 1.186 -13.416 2.747 1.00 0.00 N ATOM 1381 CA LEU A 95 0.095 -14.161 3.366 1.00 0.00 C ATOM 1382 C LEU A 95 0.623 -15.390 4.100 1.00 0.00 C ATOM 1383 O LEU A 95 1.686 -15.924 3.783 1.00 0.00 O ATOM 1384 CB LEU A 95 -0.924 -14.585 2.307 1.00 0.00 C ATOM 1385 CG LEU A 95 -1.767 -13.462 1.700 1.00 0.00 C ATOM 1386 CD1 LEU A 95 -3.097 -14.004 1.201 1.00 0.00 C ATOM 1387 CD2 LEU A 95 -1.990 -12.353 2.718 1.00 0.00 C ATOM 0 H LEU A 95 0.999 -13.108 1.793 1.00 0.00 H new ATOM 0 HA LEU A 95 -0.393 -13.509 4.091 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.392 -15.089 1.501 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -1.597 -15.318 2.752 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.226 -13.045 0.851 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.683 -13.191 0.773 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.918 -14.763 0.439 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.645 -14.447 2.033 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.591 -11.563 2.269 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -2.510 -12.756 3.587 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -1.028 -11.945 3.028 1.00 0.00 H new