USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 424 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 THR OG1 : rot 29:sc= 0.0756 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 130:sc= -4.5! USER MOD Single : A 18 SER OG : rot -154:sc= 0.614 USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.265 USER MOD Single : A 22 THR OG1 : rot -170:sc= -3.45! USER MOD Single : A 25 SER OG : rot 180:sc= 0.327 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 ASN : amide:sc= -0.257 K(o=-0.26,f=-2.8!) USER MOD Single : A 37 ASN : amide:sc= -3.05! C(o=-3.1!,f=-10!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -3.82! C(o=-3.8!,f=-2.9!) USER MOD Single : A 47 SER OG : rot -170:sc= 0.0431 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.00833 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.302 X(o=-0.3,f=-0.26) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -78:sc= 0.772 USER MOD Single : A 59 ASN : amide:sc= -0.185 K(o=-0.18,f=-2!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 9 15.570 14.290 -3.637 1.00 0.00 N ATOM 2 CA THR A 9 14.613 14.006 -2.532 1.00 0.00 C ATOM 3 C THR A 9 13.546 13.026 -3.021 1.00 0.00 C ATOM 4 O THR A 9 12.472 13.418 -3.434 1.00 0.00 O ATOM 5 CB THR A 9 13.942 15.308 -2.088 1.00 0.00 C ATOM 6 OG1 THR A 9 14.929 16.201 -1.591 1.00 0.00 O ATOM 7 CG2 THR A 9 12.921 15.009 -0.990 1.00 0.00 C ATOM 0 HA THR A 9 15.151 13.569 -1.691 1.00 0.00 H new ATOM 0 HB THR A 9 13.434 15.764 -2.938 1.00 0.00 H new ATOM 0 HG1 THR A 9 15.784 16.025 -2.037 1.00 0.00 H new ATOM 0 HG21 THR A 9 12.444 15.937 -0.674 1.00 0.00 H new ATOM 0 HG22 THR A 9 12.165 14.324 -1.373 1.00 0.00 H new ATOM 0 HG23 THR A 9 13.426 14.553 -0.138 1.00 0.00 H new ATOM 17 N PHE A 10 13.830 11.754 -2.977 1.00 0.00 N ATOM 18 CA PHE A 10 12.831 10.752 -3.441 1.00 0.00 C ATOM 19 C PHE A 10 12.170 10.101 -2.222 1.00 0.00 C ATOM 20 O PHE A 10 12.279 10.590 -1.117 1.00 0.00 O ATOM 21 CB PHE A 10 13.532 9.691 -4.291 1.00 0.00 C ATOM 22 CG PHE A 10 13.509 10.132 -5.756 1.00 0.00 C ATOM 23 CD1 PHE A 10 14.285 11.196 -6.180 1.00 0.00 C ATOM 24 CD2 PHE A 10 12.706 9.480 -6.673 1.00 0.00 C ATOM 25 CE1 PHE A 10 14.256 11.601 -7.499 1.00 0.00 C ATOM 26 CE2 PHE A 10 12.677 9.886 -7.992 1.00 0.00 C ATOM 27 CZ PHE A 10 13.453 10.946 -8.405 1.00 0.00 C ATOM 0 H PHE A 10 14.711 11.365 -2.640 1.00 0.00 H new ATOM 0 HA PHE A 10 12.067 11.240 -4.045 1.00 0.00 H new ATOM 0 HB2 PHE A 10 14.560 9.557 -3.954 1.00 0.00 H new ATOM 0 HB3 PHE A 10 13.032 8.729 -4.180 1.00 0.00 H new ATOM 0 HD1 PHE A 10 14.918 11.713 -5.474 1.00 0.00 H new ATOM 0 HD2 PHE A 10 12.097 8.647 -6.355 1.00 0.00 H new ATOM 0 HE1 PHE A 10 14.864 12.433 -7.821 1.00 0.00 H new ATOM 0 HE2 PHE A 10 12.045 9.372 -8.701 1.00 0.00 H new ATOM 0 HZ PHE A 10 13.432 11.263 -9.437 1.00 0.00 H new ATOM 37 N VAL A 11 11.484 9.003 -2.407 1.00 0.00 N ATOM 38 CA VAL A 11 10.827 8.344 -1.243 1.00 0.00 C ATOM 39 C VAL A 11 11.091 6.838 -1.277 1.00 0.00 C ATOM 40 O VAL A 11 10.484 6.108 -2.037 1.00 0.00 O ATOM 41 CB VAL A 11 9.321 8.600 -1.302 1.00 0.00 C ATOM 42 CG1 VAL A 11 8.658 8.044 -0.040 1.00 0.00 C ATOM 43 CG2 VAL A 11 9.065 10.105 -1.393 1.00 0.00 C ATOM 0 H VAL A 11 11.352 8.539 -3.306 1.00 0.00 H new ATOM 0 HA VAL A 11 11.235 8.755 -0.320 1.00 0.00 H new ATOM 0 HB VAL A 11 8.902 8.106 -2.178 1.00 0.00 H new ATOM 0 HG11 VAL A 11 7.584 8.227 -0.082 1.00 0.00 H new ATOM 0 HG12 VAL A 11 8.841 6.971 0.025 1.00 0.00 H new ATOM 0 HG13 VAL A 11 9.076 8.537 0.838 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.992 10.290 -1.435 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.484 10.599 -0.516 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.537 10.501 -2.292 1.00 0.00 H new ATOM 53 N ALA A 12 11.989 6.366 -0.456 1.00 0.00 N ATOM 54 CA ALA A 12 12.292 4.908 -0.438 1.00 0.00 C ATOM 55 C ALA A 12 11.023 4.137 -0.068 1.00 0.00 C ATOM 56 O ALA A 12 10.730 3.919 1.090 1.00 0.00 O ATOM 57 CB ALA A 12 13.383 4.630 0.597 1.00 0.00 C ATOM 0 H ALA A 12 12.526 6.929 0.204 1.00 0.00 H new ATOM 0 HA ALA A 12 12.638 4.590 -1.421 1.00 0.00 H new ATOM 0 HB1 ALA A 12 13.607 3.563 0.612 1.00 0.00 H new ATOM 0 HB2 ALA A 12 14.283 5.186 0.335 1.00 0.00 H new ATOM 0 HB3 ALA A 12 13.038 4.942 1.583 1.00 0.00 H new ATOM 63 N LEU A 13 10.271 3.725 -1.048 1.00 0.00 N ATOM 64 CA LEU A 13 9.018 2.970 -0.773 1.00 0.00 C ATOM 65 C LEU A 13 9.322 1.672 -0.023 1.00 0.00 C ATOM 66 O LEU A 13 8.768 1.411 1.027 1.00 0.00 O ATOM 67 CB LEU A 13 8.340 2.619 -2.095 1.00 0.00 C ATOM 68 CG LEU A 13 7.491 3.793 -2.573 1.00 0.00 C ATOM 69 CD1 LEU A 13 6.741 3.379 -3.839 1.00 0.00 C ATOM 70 CD2 LEU A 13 6.487 4.175 -1.485 1.00 0.00 C ATOM 0 H LEU A 13 10.472 3.880 -2.036 1.00 0.00 H new ATOM 0 HA LEU A 13 8.367 3.594 -0.161 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.092 2.374 -2.845 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.715 1.735 -1.969 1.00 0.00 H new ATOM 0 HG LEU A 13 8.131 4.649 -2.786 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.131 4.212 -4.189 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.458 3.104 -4.613 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.099 2.526 -3.619 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.881 5.014 -1.827 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.841 3.324 -1.271 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.023 4.460 -0.580 1.00 0.00 H new ATOM 82 N TYR A 14 10.196 0.853 -0.545 1.00 0.00 N ATOM 83 CA TYR A 14 10.511 -0.424 0.160 1.00 0.00 C ATOM 84 C TYR A 14 12.019 -0.655 0.231 1.00 0.00 C ATOM 85 O TYR A 14 12.800 0.028 -0.400 1.00 0.00 O ATOM 86 CB TYR A 14 9.876 -1.584 -0.604 1.00 0.00 C ATOM 87 CG TYR A 14 8.402 -1.278 -0.871 1.00 0.00 C ATOM 88 CD1 TYR A 14 8.022 -0.585 -2.003 1.00 0.00 C ATOM 89 CD2 TYR A 14 7.430 -1.696 0.014 1.00 0.00 C ATOM 90 CE1 TYR A 14 6.689 -0.318 -2.247 1.00 0.00 C ATOM 91 CE2 TYR A 14 6.098 -1.428 -0.229 1.00 0.00 C ATOM 92 CZ TYR A 14 5.718 -0.737 -1.362 1.00 0.00 C ATOM 93 OH TYR A 14 4.386 -0.469 -1.605 1.00 0.00 O ATOM 0 H TYR A 14 10.700 1.010 -1.418 1.00 0.00 H new ATOM 0 HA TYR A 14 10.116 -0.364 1.174 1.00 0.00 H new ATOM 0 HB2 TYR A 14 10.401 -1.743 -1.546 1.00 0.00 H new ATOM 0 HB3 TYR A 14 9.968 -2.505 -0.029 1.00 0.00 H new ATOM 0 HD1 TYR A 14 8.773 -0.249 -2.703 1.00 0.00 H new ATOM 0 HD2 TYR A 14 7.714 -2.237 0.904 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.405 0.223 -3.138 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.348 -1.761 0.472 1.00 0.00 H new ATOM 0 HH TYR A 14 3.840 -0.838 -0.879 1.00 0.00 H new ATOM 103 N ASP A 15 12.424 -1.629 1.003 1.00 0.00 N ATOM 104 CA ASP A 15 13.873 -1.934 1.135 1.00 0.00 C ATOM 105 C ASP A 15 14.279 -2.926 0.042 1.00 0.00 C ATOM 106 O ASP A 15 14.600 -4.064 0.317 1.00 0.00 O ATOM 107 CB ASP A 15 14.139 -2.553 2.510 1.00 0.00 C ATOM 108 CG ASP A 15 13.388 -3.881 2.627 1.00 0.00 C ATOM 109 OD1 ASP A 15 12.573 -4.156 1.763 1.00 0.00 O ATOM 110 OD2 ASP A 15 13.643 -4.601 3.579 1.00 0.00 O ATOM 0 H ASP A 15 11.806 -2.229 1.550 1.00 0.00 H new ATOM 0 HA ASP A 15 14.453 -1.017 1.032 1.00 0.00 H new ATOM 0 HB2 ASP A 15 15.208 -2.715 2.647 1.00 0.00 H new ATOM 0 HB3 ASP A 15 13.817 -1.870 3.296 1.00 0.00 H new ATOM 115 N TYR A 16 14.246 -2.497 -1.195 1.00 0.00 N ATOM 116 CA TYR A 16 14.625 -3.395 -2.334 1.00 0.00 C ATOM 117 C TYR A 16 15.756 -4.336 -1.902 1.00 0.00 C ATOM 118 O TYR A 16 16.629 -3.963 -1.143 1.00 0.00 O ATOM 119 CB TYR A 16 15.085 -2.523 -3.511 1.00 0.00 C ATOM 120 CG TYR A 16 15.963 -3.321 -4.483 1.00 0.00 C ATOM 121 CD1 TYR A 16 15.581 -4.570 -4.926 1.00 0.00 C ATOM 122 CD2 TYR A 16 17.154 -2.789 -4.933 1.00 0.00 C ATOM 123 CE1 TYR A 16 16.381 -5.275 -5.805 1.00 0.00 C ATOM 124 CE2 TYR A 16 17.957 -3.491 -5.810 1.00 0.00 C ATOM 125 CZ TYR A 16 17.574 -4.741 -6.254 1.00 0.00 C ATOM 126 OH TYR A 16 18.364 -5.440 -7.142 1.00 0.00 O ATOM 0 H TYR A 16 13.970 -1.554 -1.469 1.00 0.00 H new ATOM 0 HA TYR A 16 13.769 -3.999 -2.634 1.00 0.00 H new ATOM 0 HB2 TYR A 16 14.215 -2.133 -4.039 1.00 0.00 H new ATOM 0 HB3 TYR A 16 15.642 -1.664 -3.135 1.00 0.00 H new ATOM 0 HD1 TYR A 16 14.651 -5.000 -4.584 1.00 0.00 H new ATOM 0 HD2 TYR A 16 17.462 -1.811 -4.595 1.00 0.00 H new ATOM 0 HE1 TYR A 16 16.071 -6.252 -6.144 1.00 0.00 H new ATOM 0 HE2 TYR A 16 18.888 -3.061 -6.150 1.00 0.00 H new ATOM 0 HH TYR A 16 18.605 -4.859 -7.893 1.00 0.00 H new ATOM 136 N GLU A 17 15.737 -5.556 -2.369 1.00 0.00 N ATOM 137 CA GLU A 17 16.807 -6.520 -1.985 1.00 0.00 C ATOM 138 C GLU A 17 17.316 -7.250 -3.231 1.00 0.00 C ATOM 139 O GLU A 17 16.830 -8.305 -3.585 1.00 0.00 O ATOM 140 CB GLU A 17 16.240 -7.539 -0.997 1.00 0.00 C ATOM 141 CG GLU A 17 17.331 -7.949 -0.006 1.00 0.00 C ATOM 142 CD GLU A 17 17.478 -6.866 1.064 1.00 0.00 C ATOM 143 OE1 GLU A 17 17.125 -5.732 0.782 1.00 0.00 O ATOM 144 OE2 GLU A 17 17.942 -7.188 2.146 1.00 0.00 O ATOM 0 H GLU A 17 15.026 -5.926 -3.000 1.00 0.00 H new ATOM 0 HA GLU A 17 17.632 -5.978 -1.522 1.00 0.00 H new ATOM 0 HB2 GLU A 17 15.391 -7.111 -0.464 1.00 0.00 H new ATOM 0 HB3 GLU A 17 15.872 -8.414 -1.532 1.00 0.00 H new ATOM 0 HG2 GLU A 17 17.077 -8.902 0.458 1.00 0.00 H new ATOM 0 HG3 GLU A 17 18.277 -8.091 -0.528 1.00 0.00 H new ATOM 151 N SER A 18 18.291 -6.695 -3.899 1.00 0.00 N ATOM 152 CA SER A 18 18.831 -7.356 -5.121 1.00 0.00 C ATOM 153 C SER A 18 19.237 -8.794 -4.790 1.00 0.00 C ATOM 154 O SER A 18 19.108 -9.245 -3.669 1.00 0.00 O ATOM 155 CB SER A 18 20.059 -6.589 -5.615 1.00 0.00 C ATOM 156 OG SER A 18 21.236 -7.208 -5.116 1.00 0.00 O ATOM 0 H SER A 18 18.737 -5.812 -3.651 1.00 0.00 H new ATOM 0 HA SER A 18 18.064 -7.362 -5.896 1.00 0.00 H new ATOM 0 HB2 SER A 18 20.077 -6.574 -6.705 1.00 0.00 H new ATOM 0 HB3 SER A 18 20.012 -5.552 -5.282 1.00 0.00 H new ATOM 0 HG SER A 18 21.955 -6.545 -5.057 1.00 0.00 H new ATOM 162 N ARG A 19 19.727 -9.516 -5.760 1.00 0.00 N ATOM 163 CA ARG A 19 20.142 -10.925 -5.507 1.00 0.00 C ATOM 164 C ARG A 19 21.517 -11.171 -6.136 1.00 0.00 C ATOM 165 O ARG A 19 22.027 -12.274 -6.120 1.00 0.00 O ATOM 166 CB ARG A 19 19.121 -11.880 -6.128 1.00 0.00 C ATOM 167 CG ARG A 19 17.723 -11.553 -5.598 1.00 0.00 C ATOM 168 CD ARG A 19 17.540 -12.186 -4.217 1.00 0.00 C ATOM 169 NE ARG A 19 17.449 -13.667 -4.356 1.00 0.00 N ATOM 170 CZ ARG A 19 16.658 -14.349 -3.573 1.00 0.00 C ATOM 171 NH1 ARG A 19 17.028 -14.625 -2.352 1.00 0.00 N ATOM 172 NH2 ARG A 19 15.498 -14.756 -4.010 1.00 0.00 N ATOM 0 H ARG A 19 19.858 -9.191 -6.718 1.00 0.00 H new ATOM 0 HA ARG A 19 20.195 -11.100 -4.432 1.00 0.00 H new ATOM 0 HB2 ARG A 19 19.139 -11.791 -7.214 1.00 0.00 H new ATOM 0 HB3 ARG A 19 19.380 -12.911 -5.888 1.00 0.00 H new ATOM 0 HG2 ARG A 19 17.590 -10.473 -5.535 1.00 0.00 H new ATOM 0 HG3 ARG A 19 16.965 -11.928 -6.285 1.00 0.00 H new ATOM 0 HD2 ARG A 19 18.377 -11.922 -3.571 1.00 0.00 H new ATOM 0 HD3 ARG A 19 16.637 -11.798 -3.745 1.00 0.00 H new ATOM 0 HE ARG A 19 18.005 -14.148 -5.063 1.00 0.00 H new ATOM 0 HH11 ARG A 19 17.935 -14.308 -2.010 1.00 0.00 H new ATOM 0 HH12 ARG A 19 16.410 -15.158 -1.740 1.00 0.00 H new ATOM 0 HH21 ARG A 19 15.209 -14.541 -4.964 1.00 0.00 H new ATOM 0 HH22 ARG A 19 14.881 -15.289 -3.397 1.00 0.00 H new ATOM 186 N THR A 20 22.120 -10.155 -6.693 1.00 0.00 N ATOM 187 CA THR A 20 23.459 -10.337 -7.323 1.00 0.00 C ATOM 188 C THR A 20 24.315 -9.089 -7.080 1.00 0.00 C ATOM 189 O THR A 20 23.977 -8.241 -6.280 1.00 0.00 O ATOM 190 CB THR A 20 23.285 -10.562 -8.829 1.00 0.00 C ATOM 191 OG1 THR A 20 24.489 -11.088 -9.370 1.00 0.00 O ATOM 192 CG2 THR A 20 22.949 -9.237 -9.516 1.00 0.00 C ATOM 0 H THR A 20 21.744 -9.208 -6.739 1.00 0.00 H new ATOM 0 HA THR A 20 23.955 -11.202 -6.883 1.00 0.00 H new ATOM 0 HB THR A 20 22.471 -11.268 -8.997 1.00 0.00 H new ATOM 0 HG1 THR A 20 24.379 -11.234 -10.333 1.00 0.00 H new ATOM 0 HG21 THR A 20 22.826 -9.403 -10.586 1.00 0.00 H new ATOM 0 HG22 THR A 20 22.023 -8.837 -9.102 1.00 0.00 H new ATOM 0 HG23 THR A 20 23.758 -8.525 -9.349 1.00 0.00 H new ATOM 200 N GLU A 21 25.421 -8.972 -7.765 1.00 0.00 N ATOM 201 CA GLU A 21 26.296 -7.783 -7.576 1.00 0.00 C ATOM 202 C GLU A 21 25.856 -6.661 -8.522 1.00 0.00 C ATOM 203 O GLU A 21 26.640 -5.815 -8.901 1.00 0.00 O ATOM 204 CB GLU A 21 27.738 -8.176 -7.890 1.00 0.00 C ATOM 205 CG GLU A 21 27.787 -8.905 -9.235 1.00 0.00 C ATOM 206 CD GLU A 21 27.829 -10.415 -8.996 1.00 0.00 C ATOM 207 OE1 GLU A 21 28.618 -10.843 -8.170 1.00 0.00 O ATOM 208 OE2 GLU A 21 27.071 -11.118 -9.643 1.00 0.00 O ATOM 0 H GLU A 21 25.755 -9.651 -8.449 1.00 0.00 H new ATOM 0 HA GLU A 21 26.221 -7.432 -6.547 1.00 0.00 H new ATOM 0 HB2 GLU A 21 28.369 -7.288 -7.922 1.00 0.00 H new ATOM 0 HB3 GLU A 21 28.131 -8.818 -7.102 1.00 0.00 H new ATOM 0 HG2 GLU A 21 26.914 -8.645 -9.834 1.00 0.00 H new ATOM 0 HG3 GLU A 21 28.665 -8.591 -9.799 1.00 0.00 H new ATOM 215 N THR A 22 24.608 -6.647 -8.905 1.00 0.00 N ATOM 216 CA THR A 22 24.122 -5.579 -9.825 1.00 0.00 C ATOM 217 C THR A 22 23.779 -4.326 -9.015 1.00 0.00 C ATOM 218 O THR A 22 24.301 -3.256 -9.257 1.00 0.00 O ATOM 219 CB THR A 22 22.873 -6.070 -10.561 1.00 0.00 C ATOM 220 OG1 THR A 22 23.162 -7.300 -11.210 1.00 0.00 O ATOM 221 CG2 THR A 22 22.447 -5.031 -11.599 1.00 0.00 C ATOM 0 H THR A 22 23.904 -7.329 -8.621 1.00 0.00 H new ATOM 0 HA THR A 22 24.900 -5.341 -10.550 1.00 0.00 H new ATOM 0 HB THR A 22 22.064 -6.217 -9.846 1.00 0.00 H new ATOM 0 HG1 THR A 22 22.422 -7.537 -11.807 1.00 0.00 H new ATOM 0 HG21 THR A 22 21.558 -5.383 -12.122 1.00 0.00 H new ATOM 0 HG22 THR A 22 22.225 -4.088 -11.100 1.00 0.00 H new ATOM 0 HG23 THR A 22 23.254 -4.881 -12.316 1.00 0.00 H new ATOM 229 N ASP A 23 22.902 -4.451 -8.058 1.00 0.00 N ATOM 230 CA ASP A 23 22.523 -3.271 -7.231 1.00 0.00 C ATOM 231 C ASP A 23 22.768 -3.592 -5.756 1.00 0.00 C ATOM 232 O ASP A 23 22.646 -4.723 -5.330 1.00 0.00 O ATOM 233 CB ASP A 23 21.041 -2.953 -7.443 1.00 0.00 C ATOM 234 CG ASP A 23 20.737 -2.913 -8.941 1.00 0.00 C ATOM 235 OD1 ASP A 23 21.674 -3.003 -9.718 1.00 0.00 O ATOM 236 OD2 ASP A 23 19.574 -2.789 -9.287 1.00 0.00 O ATOM 0 H ASP A 23 22.430 -5.321 -7.812 1.00 0.00 H new ATOM 0 HA ASP A 23 23.123 -2.410 -7.525 1.00 0.00 H new ATOM 0 HB2 ASP A 23 20.423 -3.707 -6.956 1.00 0.00 H new ATOM 0 HB3 ASP A 23 20.795 -1.995 -6.985 1.00 0.00 H new ATOM 241 N LEU A 24 23.115 -2.607 -4.975 1.00 0.00 N ATOM 242 CA LEU A 24 23.367 -2.862 -3.526 1.00 0.00 C ATOM 243 C LEU A 24 22.079 -2.633 -2.751 1.00 0.00 C ATOM 244 O LEU A 24 22.079 -2.430 -1.554 1.00 0.00 O ATOM 245 CB LEU A 24 24.470 -1.937 -2.990 1.00 0.00 C ATOM 246 CG LEU A 24 25.238 -1.299 -4.151 1.00 0.00 C ATOM 247 CD1 LEU A 24 26.404 -0.477 -3.602 1.00 0.00 C ATOM 248 CD2 LEU A 24 25.775 -2.395 -5.074 1.00 0.00 C ATOM 0 H LEU A 24 23.235 -1.639 -5.274 1.00 0.00 H new ATOM 0 HA LEU A 24 23.699 -3.893 -3.401 1.00 0.00 H new ATOM 0 HB2 LEU A 24 24.030 -1.160 -2.365 1.00 0.00 H new ATOM 0 HB3 LEU A 24 25.155 -2.504 -2.359 1.00 0.00 H new ATOM 0 HG LEU A 24 24.568 -0.648 -4.713 1.00 0.00 H new ATOM 0 HD11 LEU A 24 26.950 -0.023 -4.429 1.00 0.00 H new ATOM 0 HD12 LEU A 24 26.021 0.306 -2.947 1.00 0.00 H new ATOM 0 HD13 LEU A 24 27.073 -1.127 -3.038 1.00 0.00 H new ATOM 0 HD21 LEU A 24 26.321 -1.940 -5.900 1.00 0.00 H new ATOM 0 HD22 LEU A 24 26.443 -3.048 -4.513 1.00 0.00 H new ATOM 0 HD23 LEU A 24 24.943 -2.979 -5.468 1.00 0.00 H new ATOM 260 N SER A 25 20.986 -2.710 -3.442 1.00 0.00 N ATOM 261 CA SER A 25 19.659 -2.508 -2.823 1.00 0.00 C ATOM 262 C SER A 25 19.690 -1.374 -1.793 1.00 0.00 C ATOM 263 O SER A 25 20.665 -0.664 -1.648 1.00 0.00 O ATOM 264 CB SER A 25 19.264 -3.808 -2.150 1.00 0.00 C ATOM 265 OG SER A 25 20.156 -4.838 -2.552 1.00 0.00 O ATOM 0 H SER A 25 20.958 -2.911 -4.442 1.00 0.00 H new ATOM 0 HA SER A 25 18.936 -2.229 -3.590 1.00 0.00 H new ATOM 0 HB2 SER A 25 19.290 -3.692 -1.067 1.00 0.00 H new ATOM 0 HB3 SER A 25 18.241 -4.073 -2.418 1.00 0.00 H new ATOM 0 HG SER A 25 19.903 -5.679 -2.116 1.00 0.00 H new ATOM 271 N PHE A 26 18.599 -1.178 -1.101 1.00 0.00 N ATOM 272 CA PHE A 26 18.542 -0.100 -0.077 1.00 0.00 C ATOM 273 C PHE A 26 17.418 -0.412 0.907 1.00 0.00 C ATOM 274 O PHE A 26 16.803 -1.457 0.845 1.00 0.00 O ATOM 275 CB PHE A 26 18.326 1.274 -0.730 1.00 0.00 C ATOM 276 CG PHE A 26 17.010 1.334 -1.520 1.00 0.00 C ATOM 277 CD1 PHE A 26 16.750 0.454 -2.555 1.00 0.00 C ATOM 278 CD2 PHE A 26 16.090 2.330 -1.246 1.00 0.00 C ATOM 279 CE1 PHE A 26 15.592 0.579 -3.304 1.00 0.00 C ATOM 280 CE2 PHE A 26 14.936 2.449 -1.991 1.00 0.00 C ATOM 281 CZ PHE A 26 14.688 1.572 -3.020 1.00 0.00 C ATOM 0 H PHE A 26 17.742 -1.722 -1.203 1.00 0.00 H new ATOM 0 HA PHE A 26 19.493 -0.061 0.454 1.00 0.00 H new ATOM 0 HB2 PHE A 26 18.322 2.045 0.040 1.00 0.00 H new ATOM 0 HB3 PHE A 26 19.160 1.494 -1.397 1.00 0.00 H new ATOM 0 HD1 PHE A 26 17.453 -0.334 -2.780 1.00 0.00 H new ATOM 0 HD2 PHE A 26 16.278 3.023 -0.439 1.00 0.00 H new ATOM 0 HE1 PHE A 26 15.399 -0.108 -4.115 1.00 0.00 H new ATOM 0 HE2 PHE A 26 14.227 3.232 -1.766 1.00 0.00 H new ATOM 0 HZ PHE A 26 13.784 1.664 -3.604 1.00 0.00 H new ATOM 291 N LYS A 27 17.139 0.478 1.814 1.00 0.00 N ATOM 292 CA LYS A 27 16.049 0.205 2.795 1.00 0.00 C ATOM 293 C LYS A 27 15.069 1.374 2.846 1.00 0.00 C ATOM 294 O LYS A 27 15.385 2.482 2.462 1.00 0.00 O ATOM 295 CB LYS A 27 16.657 -0.004 4.183 1.00 0.00 C ATOM 296 CG LYS A 27 16.874 -1.499 4.425 1.00 0.00 C ATOM 297 CD LYS A 27 18.138 -1.702 5.262 1.00 0.00 C ATOM 298 CE LYS A 27 17.765 -2.331 6.605 1.00 0.00 C ATOM 299 NZ LYS A 27 18.364 -3.693 6.698 1.00 0.00 N ATOM 0 H LYS A 27 17.612 1.376 1.921 1.00 0.00 H new ATOM 0 HA LYS A 27 15.513 -0.691 2.483 1.00 0.00 H new ATOM 0 HB2 LYS A 27 17.605 0.529 4.261 1.00 0.00 H new ATOM 0 HB3 LYS A 27 15.997 0.407 4.947 1.00 0.00 H new ATOM 0 HG2 LYS A 27 16.012 -1.924 4.940 1.00 0.00 H new ATOM 0 HG3 LYS A 27 16.967 -2.023 3.474 1.00 0.00 H new ATOM 0 HD2 LYS A 27 18.840 -2.344 4.730 1.00 0.00 H new ATOM 0 HD3 LYS A 27 18.638 -0.747 5.422 1.00 0.00 H new ATOM 0 HE2 LYS A 27 18.124 -1.707 7.423 1.00 0.00 H new ATOM 0 HE3 LYS A 27 16.681 -2.391 6.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 18.111 -4.122 7.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 18.001 -4.286 5.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 19.399 -3.623 6.623 1.00 0.00 H new ATOM 313 N LYS A 28 13.875 1.130 3.318 1.00 0.00 N ATOM 314 CA LYS A 28 12.870 2.222 3.398 1.00 0.00 C ATOM 315 C LYS A 28 13.552 3.463 3.975 1.00 0.00 C ATOM 316 O LYS A 28 14.475 3.364 4.758 1.00 0.00 O ATOM 317 CB LYS A 28 11.714 1.779 4.301 1.00 0.00 C ATOM 318 CG LYS A 28 10.893 2.997 4.734 1.00 0.00 C ATOM 319 CD LYS A 28 11.212 3.336 6.190 1.00 0.00 C ATOM 320 CE LYS A 28 10.066 2.860 7.087 1.00 0.00 C ATOM 321 NZ LYS A 28 9.750 3.915 8.091 1.00 0.00 N ATOM 0 H LYS A 28 13.555 0.220 3.651 1.00 0.00 H new ATOM 0 HA LYS A 28 12.472 2.452 2.410 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.078 1.071 3.770 1.00 0.00 H new ATOM 0 HB3 LYS A 28 12.104 1.262 5.178 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.121 3.849 4.093 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.829 2.790 4.623 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.145 2.859 6.490 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.353 4.411 6.302 1.00 0.00 H new ATOM 0 HE2 LYS A 28 9.185 2.641 6.484 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.345 1.935 7.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.972 3.592 8.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.591 4.103 8.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.467 4.787 7.601 1.00 0.00 H new ATOM 335 N GLY A 29 13.112 4.629 3.599 1.00 0.00 N ATOM 336 CA GLY A 29 13.745 5.863 4.131 1.00 0.00 C ATOM 337 C GLY A 29 14.420 6.591 2.972 1.00 0.00 C ATOM 338 O GLY A 29 15.316 6.070 2.337 1.00 0.00 O ATOM 0 H GLY A 29 12.342 4.780 2.947 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.996 6.503 4.598 1.00 0.00 H new ATOM 0 HA3 GLY A 29 14.476 5.614 4.901 1.00 0.00 H new ATOM 342 N GLU A 30 13.974 7.777 2.672 1.00 0.00 N ATOM 343 CA GLU A 30 14.584 8.550 1.551 1.00 0.00 C ATOM 344 C GLU A 30 15.876 9.236 2.004 1.00 0.00 C ATOM 345 O GLU A 30 16.110 10.391 1.708 1.00 0.00 O ATOM 346 CB GLU A 30 13.590 9.609 1.071 1.00 0.00 C ATOM 347 CG GLU A 30 13.311 10.597 2.207 1.00 0.00 C ATOM 348 CD GLU A 30 13.307 12.024 1.655 1.00 0.00 C ATOM 349 OE1 GLU A 30 14.368 12.627 1.622 1.00 0.00 O ATOM 350 OE2 GLU A 30 12.245 12.490 1.277 1.00 0.00 O ATOM 0 H GLU A 30 13.210 8.248 3.156 1.00 0.00 H new ATOM 0 HA GLU A 30 14.822 7.862 0.740 1.00 0.00 H new ATOM 0 HB2 GLU A 30 13.993 10.136 0.206 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.662 9.134 0.751 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.350 10.373 2.670 1.00 0.00 H new ATOM 0 HG3 GLU A 30 14.070 10.498 2.983 1.00 0.00 H new ATOM 357 N ARG A 31 16.713 8.540 2.716 1.00 0.00 N ATOM 358 CA ARG A 31 17.986 9.157 3.179 1.00 0.00 C ATOM 359 C ARG A 31 19.066 8.895 2.132 1.00 0.00 C ATOM 360 O ARG A 31 20.187 8.548 2.446 1.00 0.00 O ATOM 361 CB ARG A 31 18.403 8.547 4.519 1.00 0.00 C ATOM 362 CG ARG A 31 18.489 9.650 5.576 1.00 0.00 C ATOM 363 CD ARG A 31 17.331 9.505 6.565 1.00 0.00 C ATOM 364 NE ARG A 31 17.632 10.285 7.798 1.00 0.00 N ATOM 365 CZ ARG A 31 16.745 11.111 8.281 1.00 0.00 C ATOM 366 NH1 ARG A 31 16.419 12.183 7.612 1.00 0.00 N ATOM 367 NH2 ARG A 31 16.185 10.865 9.434 1.00 0.00 N ATOM 0 H ARG A 31 16.572 7.570 2.998 1.00 0.00 H new ATOM 0 HA ARG A 31 17.850 10.230 3.311 1.00 0.00 H new ATOM 0 HB2 ARG A 31 17.682 7.789 4.826 1.00 0.00 H new ATOM 0 HB3 ARG A 31 19.367 8.048 4.419 1.00 0.00 H new ATOM 0 HG2 ARG A 31 19.441 9.589 6.104 1.00 0.00 H new ATOM 0 HG3 ARG A 31 18.452 10.629 5.098 1.00 0.00 H new ATOM 0 HD2 ARG A 31 16.405 9.862 6.113 1.00 0.00 H new ATOM 0 HD3 ARG A 31 17.180 8.455 6.814 1.00 0.00 H new ATOM 0 HE ARG A 31 18.532 10.173 8.265 1.00 0.00 H new ATOM 0 HH11 ARG A 31 16.858 12.375 6.711 1.00 0.00 H new ATOM 0 HH12 ARG A 31 15.726 12.829 7.990 1.00 0.00 H new ATOM 0 HH21 ARG A 31 16.441 10.027 9.957 1.00 0.00 H new ATOM 0 HH22 ARG A 31 15.492 11.510 9.812 1.00 0.00 H new ATOM 381 N LEU A 32 18.728 9.061 0.884 1.00 0.00 N ATOM 382 CA LEU A 32 19.721 8.826 -0.203 1.00 0.00 C ATOM 383 C LEU A 32 19.667 9.981 -1.200 1.00 0.00 C ATOM 384 O LEU A 32 19.056 11.002 -0.955 1.00 0.00 O ATOM 385 CB LEU A 32 19.385 7.521 -0.930 1.00 0.00 C ATOM 386 CG LEU A 32 19.091 6.420 0.092 1.00 0.00 C ATOM 387 CD1 LEU A 32 17.672 6.595 0.637 1.00 0.00 C ATOM 388 CD2 LEU A 32 19.211 5.054 -0.586 1.00 0.00 C ATOM 0 H LEU A 32 17.803 9.351 0.568 1.00 0.00 H new ATOM 0 HA LEU A 32 20.719 8.759 0.229 1.00 0.00 H new ATOM 0 HB2 LEU A 32 18.522 7.667 -1.579 1.00 0.00 H new ATOM 0 HB3 LEU A 32 20.217 7.225 -1.568 1.00 0.00 H new ATOM 0 HG LEU A 32 19.805 6.485 0.913 1.00 0.00 H new ATOM 0 HD11 LEU A 32 17.462 5.811 1.365 1.00 0.00 H new ATOM 0 HD12 LEU A 32 17.585 7.569 1.118 1.00 0.00 H new ATOM 0 HD13 LEU A 32 16.957 6.530 -0.183 1.00 0.00 H new ATOM 0 HD21 LEU A 32 19.002 4.268 0.140 1.00 0.00 H new ATOM 0 HD22 LEU A 32 18.495 4.991 -1.406 1.00 0.00 H new ATOM 0 HD23 LEU A 32 20.221 4.929 -0.976 1.00 0.00 H new ATOM 400 N GLN A 33 20.306 9.827 -2.327 1.00 0.00 N ATOM 401 CA GLN A 33 20.297 10.913 -3.346 1.00 0.00 C ATOM 402 C GLN A 33 20.280 10.297 -4.748 1.00 0.00 C ATOM 403 O GLN A 33 21.241 9.694 -5.183 1.00 0.00 O ATOM 404 CB GLN A 33 21.550 11.775 -3.183 1.00 0.00 C ATOM 405 CG GLN A 33 21.439 13.011 -4.078 1.00 0.00 C ATOM 406 CD GLN A 33 22.699 13.864 -3.925 1.00 0.00 C ATOM 407 OE1 GLN A 33 23.726 13.560 -4.499 1.00 0.00 O ATOM 408 NE2 GLN A 33 22.664 14.928 -3.170 1.00 0.00 N ATOM 0 H GLN A 33 20.835 8.994 -2.586 1.00 0.00 H new ATOM 0 HA GLN A 33 19.410 11.532 -3.210 1.00 0.00 H new ATOM 0 HB2 GLN A 33 21.664 12.076 -2.142 1.00 0.00 H new ATOM 0 HB3 GLN A 33 22.437 11.200 -3.448 1.00 0.00 H new ATOM 0 HG2 GLN A 33 21.314 12.710 -5.118 1.00 0.00 H new ATOM 0 HG3 GLN A 33 20.558 13.592 -3.806 1.00 0.00 H new ATOM 0 HE21 GLN A 33 21.802 15.183 -2.688 1.00 0.00 H new ATOM 0 HE22 GLN A 33 23.499 15.504 -3.062 1.00 0.00 H new ATOM 417 N ILE A 34 19.196 10.445 -5.460 1.00 0.00 N ATOM 418 CA ILE A 34 19.119 9.867 -6.831 1.00 0.00 C ATOM 419 C ILE A 34 20.306 10.364 -7.660 1.00 0.00 C ATOM 420 O ILE A 34 20.782 11.467 -7.482 1.00 0.00 O ATOM 421 CB ILE A 34 17.812 10.305 -7.499 1.00 0.00 C ATOM 422 CG1 ILE A 34 16.629 9.660 -6.776 1.00 0.00 C ATOM 423 CG2 ILE A 34 17.815 9.863 -8.965 1.00 0.00 C ATOM 424 CD1 ILE A 34 16.898 8.166 -6.585 1.00 0.00 C ATOM 0 H ILE A 34 18.360 10.941 -5.151 1.00 0.00 H new ATOM 0 HA ILE A 34 19.147 8.779 -6.768 1.00 0.00 H new ATOM 0 HB ILE A 34 17.723 11.390 -7.446 1.00 0.00 H new ATOM 0 HG12 ILE A 34 16.476 10.139 -5.809 1.00 0.00 H new ATOM 0 HG13 ILE A 34 15.715 9.805 -7.352 1.00 0.00 H new ATOM 0 HG21 ILE A 34 16.885 10.174 -9.441 1.00 0.00 H new ATOM 0 HG22 ILE A 34 18.658 10.322 -9.482 1.00 0.00 H new ATOM 0 HG23 ILE A 34 17.904 8.778 -9.018 1.00 0.00 H new ATOM 0 HD11 ILE A 34 16.054 7.707 -6.070 1.00 0.00 H new ATOM 0 HD12 ILE A 34 17.030 7.693 -7.558 1.00 0.00 H new ATOM 0 HD13 ILE A 34 17.802 8.032 -5.991 1.00 0.00 H new ATOM 436 N VAL A 35 20.790 9.555 -8.564 1.00 0.00 N ATOM 437 CA VAL A 35 21.945 9.981 -9.403 1.00 0.00 C ATOM 438 C VAL A 35 21.460 10.318 -10.813 1.00 0.00 C ATOM 439 O VAL A 35 21.298 11.469 -11.167 1.00 0.00 O ATOM 440 CB VAL A 35 22.966 8.843 -9.474 1.00 0.00 C ATOM 441 CG1 VAL A 35 24.126 9.255 -10.384 1.00 0.00 C ATOM 442 CG2 VAL A 35 23.500 8.548 -8.071 1.00 0.00 C ATOM 0 H VAL A 35 20.435 8.618 -8.757 1.00 0.00 H new ATOM 0 HA VAL A 35 22.409 10.863 -8.961 1.00 0.00 H new ATOM 0 HB VAL A 35 22.487 7.950 -9.876 1.00 0.00 H new ATOM 0 HG11 VAL A 35 24.854 8.445 -10.435 1.00 0.00 H new ATOM 0 HG12 VAL A 35 23.747 9.466 -11.384 1.00 0.00 H new ATOM 0 HG13 VAL A 35 24.605 10.148 -9.982 1.00 0.00 H new ATOM 0 HG21 VAL A 35 24.227 7.738 -8.121 1.00 0.00 H new ATOM 0 HG22 VAL A 35 23.979 9.441 -7.669 1.00 0.00 H new ATOM 0 HG23 VAL A 35 22.675 8.255 -7.422 1.00 0.00 H new ATOM 452 N ASN A 36 21.228 9.323 -11.619 1.00 0.00 N ATOM 453 CA ASN A 36 20.755 9.579 -13.007 1.00 0.00 C ATOM 454 C ASN A 36 19.471 8.788 -13.269 1.00 0.00 C ATOM 455 O ASN A 36 19.027 8.022 -12.441 1.00 0.00 O ATOM 456 CB ASN A 36 21.830 9.138 -14.004 1.00 0.00 C ATOM 457 CG ASN A 36 22.705 8.046 -13.381 1.00 0.00 C ATOM 458 OD1 ASN A 36 22.204 7.127 -12.764 1.00 0.00 O ATOM 459 ND2 ASN A 36 24.002 8.108 -13.519 1.00 0.00 N ATOM 0 H ASN A 36 21.346 8.339 -11.376 1.00 0.00 H new ATOM 0 HA ASN A 36 20.558 10.644 -13.127 1.00 0.00 H new ATOM 0 HB2 ASN A 36 21.362 8.765 -14.915 1.00 0.00 H new ATOM 0 HB3 ASN A 36 22.446 9.991 -14.288 1.00 0.00 H new ATOM 0 HD21 ASN A 36 24.594 7.385 -13.109 1.00 0.00 H new ATOM 0 HD22 ASN A 36 24.423 8.879 -14.037 1.00 0.00 H new ATOM 466 N ASN A 37 18.874 8.970 -14.418 1.00 0.00 N ATOM 467 CA ASN A 37 17.618 8.229 -14.739 1.00 0.00 C ATOM 468 C ASN A 37 16.452 8.811 -13.938 1.00 0.00 C ATOM 469 O ASN A 37 16.146 8.360 -12.852 1.00 0.00 O ATOM 470 CB ASN A 37 17.789 6.748 -14.396 1.00 0.00 C ATOM 471 CG ASN A 37 19.134 6.247 -14.929 1.00 0.00 C ATOM 472 OD1 ASN A 37 19.956 7.026 -15.371 1.00 0.00 O ATOM 473 ND2 ASN A 37 19.394 4.969 -14.909 1.00 0.00 N ATOM 0 H ASN A 37 19.203 9.601 -15.149 1.00 0.00 H new ATOM 0 HA ASN A 37 17.407 8.330 -15.804 1.00 0.00 H new ATOM 0 HB2 ASN A 37 17.739 6.607 -13.316 1.00 0.00 H new ATOM 0 HB3 ASN A 37 16.975 6.168 -14.831 1.00 0.00 H new ATOM 0 HD21 ASN A 37 20.286 4.624 -15.264 1.00 0.00 H new ATOM 0 HD22 ASN A 37 18.705 4.314 -14.538 1.00 0.00 H new ATOM 480 N THR A 38 15.800 9.811 -14.466 1.00 0.00 N ATOM 481 CA THR A 38 14.653 10.424 -13.737 1.00 0.00 C ATOM 482 C THR A 38 13.358 9.712 -14.137 1.00 0.00 C ATOM 483 O THR A 38 12.425 9.617 -13.365 1.00 0.00 O ATOM 484 CB THR A 38 14.550 11.908 -14.098 1.00 0.00 C ATOM 485 OG1 THR A 38 13.580 12.529 -13.267 1.00 0.00 O ATOM 486 CG2 THR A 38 14.135 12.053 -15.563 1.00 0.00 C ATOM 0 H THR A 38 16.012 10.230 -15.371 1.00 0.00 H new ATOM 0 HA THR A 38 14.810 10.322 -12.663 1.00 0.00 H new ATOM 0 HB THR A 38 15.518 12.386 -13.949 1.00 0.00 H new ATOM 0 HG1 THR A 38 13.514 13.480 -13.496 1.00 0.00 H new ATOM 0 HG21 THR A 38 14.062 13.110 -15.818 1.00 0.00 H new ATOM 0 HG22 THR A 38 14.879 11.576 -16.201 1.00 0.00 H new ATOM 0 HG23 THR A 38 13.167 11.576 -15.716 1.00 0.00 H new ATOM 494 N GLU A 39 13.296 9.212 -15.343 1.00 0.00 N ATOM 495 CA GLU A 39 12.068 8.505 -15.799 1.00 0.00 C ATOM 496 C GLU A 39 11.721 7.393 -14.809 1.00 0.00 C ATOM 497 O GLU A 39 12.264 7.321 -13.726 1.00 0.00 O ATOM 498 CB GLU A 39 12.322 7.903 -17.181 1.00 0.00 C ATOM 499 CG GLU A 39 12.008 8.942 -18.259 1.00 0.00 C ATOM 500 CD GLU A 39 13.182 9.916 -18.387 1.00 0.00 C ATOM 501 OE1 GLU A 39 14.308 9.450 -18.453 1.00 0.00 O ATOM 502 OE2 GLU A 39 12.935 11.110 -18.417 1.00 0.00 O ATOM 0 H GLU A 39 14.046 9.264 -16.032 1.00 0.00 H new ATOM 0 HA GLU A 39 11.237 9.208 -15.853 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.360 7.581 -17.263 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.702 7.018 -17.323 1.00 0.00 H new ATOM 0 HG2 GLU A 39 11.826 8.448 -19.213 1.00 0.00 H new ATOM 0 HG3 GLU A 39 11.098 9.484 -18.002 1.00 0.00 H new ATOM 509 N GLY A 40 10.813 6.528 -15.169 1.00 0.00 N ATOM 510 CA GLY A 40 10.432 5.419 -14.248 1.00 0.00 C ATOM 511 C GLY A 40 11.092 4.119 -14.717 1.00 0.00 C ATOM 512 O GLY A 40 10.612 3.461 -15.619 1.00 0.00 O ATOM 0 H GLY A 40 10.318 6.541 -16.061 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.746 5.653 -13.231 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.348 5.303 -14.229 1.00 0.00 H new ATOM 516 N ASP A 41 12.185 3.741 -14.107 1.00 0.00 N ATOM 517 CA ASP A 41 12.875 2.488 -14.518 1.00 0.00 C ATOM 518 C ASP A 41 13.785 2.010 -13.377 1.00 0.00 C ATOM 519 O ASP A 41 13.320 1.554 -12.351 1.00 0.00 O ATOM 520 CB ASP A 41 13.720 2.770 -15.763 1.00 0.00 C ATOM 521 CG ASP A 41 12.816 3.235 -16.907 1.00 0.00 C ATOM 522 OD1 ASP A 41 12.208 2.385 -17.538 1.00 0.00 O ATOM 523 OD2 ASP A 41 12.749 4.431 -17.134 1.00 0.00 O ATOM 0 H ASP A 41 12.628 4.248 -13.341 1.00 0.00 H new ATOM 0 HA ASP A 41 12.139 1.715 -14.741 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.466 3.534 -15.543 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.262 1.871 -16.057 1.00 0.00 H new ATOM 528 N TRP A 42 15.077 2.111 -13.548 1.00 0.00 N ATOM 529 CA TRP A 42 16.021 1.670 -12.488 1.00 0.00 C ATOM 530 C TRP A 42 17.109 2.730 -12.369 1.00 0.00 C ATOM 531 O TRP A 42 18.121 2.680 -13.039 1.00 0.00 O ATOM 532 CB TRP A 42 16.635 0.324 -12.870 1.00 0.00 C ATOM 533 CG TRP A 42 15.525 -0.723 -12.925 1.00 0.00 C ATOM 534 CD1 TRP A 42 14.578 -0.790 -13.875 1.00 0.00 C ATOM 535 CD2 TRP A 42 15.333 -1.679 -12.022 1.00 0.00 C ATOM 536 NE1 TRP A 42 13.822 -1.820 -13.492 1.00 0.00 N ATOM 537 CE2 TRP A 42 14.221 -2.433 -12.345 1.00 0.00 C ATOM 538 CE3 TRP A 42 16.062 -1.974 -10.887 1.00 0.00 C ATOM 539 CZ2 TRP A 42 13.840 -3.481 -11.530 1.00 0.00 C ATOM 540 CZ3 TRP A 42 15.680 -3.021 -10.075 1.00 0.00 C ATOM 541 CH2 TRP A 42 14.570 -3.774 -10.396 1.00 0.00 C ATOM 0 H TRP A 42 15.520 2.485 -14.387 1.00 0.00 H new ATOM 0 HA TRP A 42 15.504 1.550 -11.536 1.00 0.00 H new ATOM 0 HB2 TRP A 42 17.134 0.397 -13.836 1.00 0.00 H new ATOM 0 HB3 TRP A 42 17.392 0.034 -12.142 1.00 0.00 H new ATOM 0 HD1 TRP A 42 14.457 -0.159 -14.743 1.00 0.00 H new ATOM 0 HE1 TRP A 42 13.005 -2.126 -14.020 1.00 0.00 H new ATOM 0 HE3 TRP A 42 16.931 -1.385 -10.635 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 12.971 -4.071 -11.780 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 16.250 -3.251 -9.187 1.00 0.00 H new ATOM 0 HH2 TRP A 42 14.272 -4.594 -9.759 1.00 0.00 H new ATOM 552 N TRP A 43 16.895 3.696 -11.526 1.00 0.00 N ATOM 553 CA TRP A 43 17.900 4.775 -11.350 1.00 0.00 C ATOM 554 C TRP A 43 18.926 4.379 -10.287 1.00 0.00 C ATOM 555 O TRP A 43 18.644 3.615 -9.383 1.00 0.00 O ATOM 556 CB TRP A 43 17.182 6.052 -10.917 1.00 0.00 C ATOM 557 CG TRP A 43 15.774 6.077 -11.520 1.00 0.00 C ATOM 558 CD1 TRP A 43 15.458 5.708 -12.778 1.00 0.00 C ATOM 559 CD2 TRP A 43 14.682 6.479 -10.878 1.00 0.00 C ATOM 560 NE1 TRP A 43 14.145 5.918 -12.842 1.00 0.00 N ATOM 561 CE2 TRP A 43 13.577 6.395 -11.703 1.00 0.00 C ATOM 562 CE3 TRP A 43 14.543 6.920 -9.578 1.00 0.00 C ATOM 563 CZ2 TRP A 43 12.333 6.754 -11.224 1.00 0.00 C ATOM 564 CZ3 TRP A 43 13.300 7.278 -9.100 1.00 0.00 C ATOM 565 CH2 TRP A 43 12.195 7.196 -9.923 1.00 0.00 C ATOM 0 H TRP A 43 16.060 3.785 -10.947 1.00 0.00 H new ATOM 0 HA TRP A 43 18.422 4.939 -12.293 1.00 0.00 H new ATOM 0 HB2 TRP A 43 17.124 6.098 -9.830 1.00 0.00 H new ATOM 0 HB3 TRP A 43 17.744 6.927 -11.244 1.00 0.00 H new ATOM 0 HD1 TRP A 43 16.114 5.332 -13.549 1.00 0.00 H new ATOM 0 HE1 TRP A 43 13.603 5.734 -13.686 1.00 0.00 H new ATOM 0 HE3 TRP A 43 15.408 6.985 -8.935 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 11.468 6.689 -11.867 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 13.191 7.622 -8.082 1.00 0.00 H new ATOM 0 HH2 TRP A 43 11.222 7.478 -9.549 1.00 0.00 H new ATOM 576 N LEU A 44 20.117 4.902 -10.393 1.00 0.00 N ATOM 577 CA LEU A 44 21.174 4.571 -9.400 1.00 0.00 C ATOM 578 C LEU A 44 21.172 5.630 -8.301 1.00 0.00 C ATOM 579 O LEU A 44 21.334 6.804 -8.562 1.00 0.00 O ATOM 580 CB LEU A 44 22.536 4.559 -10.090 1.00 0.00 C ATOM 581 CG LEU A 44 23.581 3.968 -9.145 1.00 0.00 C ATOM 582 CD1 LEU A 44 23.479 2.441 -9.159 1.00 0.00 C ATOM 583 CD2 LEU A 44 24.975 4.392 -9.608 1.00 0.00 C ATOM 0 H LEU A 44 20.403 5.547 -11.129 1.00 0.00 H new ATOM 0 HA LEU A 44 20.979 3.589 -8.968 1.00 0.00 H new ATOM 0 HB2 LEU A 44 22.486 3.972 -11.007 1.00 0.00 H new ATOM 0 HB3 LEU A 44 22.820 5.572 -10.375 1.00 0.00 H new ATOM 0 HG LEU A 44 23.406 4.331 -8.132 1.00 0.00 H new ATOM 0 HD11 LEU A 44 24.225 2.020 -8.485 1.00 0.00 H new ATOM 0 HD12 LEU A 44 22.484 2.140 -8.833 1.00 0.00 H new ATOM 0 HD13 LEU A 44 23.656 2.074 -10.170 1.00 0.00 H new ATOM 0 HD21 LEU A 44 25.725 3.973 -8.937 1.00 0.00 H new ATOM 0 HD22 LEU A 44 25.149 4.026 -10.620 1.00 0.00 H new ATOM 0 HD23 LEU A 44 25.047 5.480 -9.598 1.00 0.00 H new ATOM 595 N ALA A 45 20.995 5.233 -7.074 1.00 0.00 N ATOM 596 CA ALA A 45 20.986 6.233 -5.974 1.00 0.00 C ATOM 597 C ALA A 45 22.187 6.003 -5.054 1.00 0.00 C ATOM 598 O ALA A 45 22.638 4.889 -4.864 1.00 0.00 O ATOM 599 CB ALA A 45 19.692 6.093 -5.170 1.00 0.00 C ATOM 0 H ALA A 45 20.857 4.264 -6.786 1.00 0.00 H new ATOM 0 HA ALA A 45 21.046 7.235 -6.398 1.00 0.00 H new ATOM 0 HB1 ALA A 45 19.684 6.826 -4.363 1.00 0.00 H new ATOM 0 HB2 ALA A 45 18.837 6.264 -5.824 1.00 0.00 H new ATOM 0 HB3 ALA A 45 19.632 5.089 -4.749 1.00 0.00 H new ATOM 605 N HIS A 46 22.707 7.055 -4.480 1.00 0.00 N ATOM 606 CA HIS A 46 23.876 6.915 -3.570 1.00 0.00 C ATOM 607 C HIS A 46 23.439 7.268 -2.142 1.00 0.00 C ATOM 608 O HIS A 46 22.919 8.336 -1.889 1.00 0.00 O ATOM 609 CB HIS A 46 24.996 7.860 -4.048 1.00 0.00 C ATOM 610 CG HIS A 46 25.821 8.380 -2.863 1.00 0.00 C ATOM 611 ND1 HIS A 46 26.867 7.831 -2.404 1.00 0.00 N ATOM 612 CD2 HIS A 46 25.633 9.503 -2.079 1.00 0.00 C ATOM 613 CE1 HIS A 46 27.334 8.504 -1.420 1.00 0.00 C ATOM 614 NE2 HIS A 46 26.606 9.576 -1.156 1.00 0.00 N ATOM 0 H HIS A 46 22.369 8.009 -4.604 1.00 0.00 H new ATOM 0 HA HIS A 46 24.251 5.892 -3.580 1.00 0.00 H new ATOM 0 HB2 HIS A 46 25.647 7.334 -4.746 1.00 0.00 H new ATOM 0 HB3 HIS A 46 24.561 8.700 -4.589 1.00 0.00 H new ATOM 0 HD2 HIS A 46 24.827 10.213 -2.191 1.00 0.00 H new ATOM 0 HE1 HIS A 46 28.221 8.228 -0.869 1.00 0.00 H new ATOM 0 HE2 HIS A 46 26.748 10.281 -0.433 1.00 0.00 H new ATOM 622 N SER A 47 23.644 6.376 -1.211 1.00 0.00 N ATOM 623 CA SER A 47 23.241 6.661 0.196 1.00 0.00 C ATOM 624 C SER A 47 24.106 7.793 0.752 1.00 0.00 C ATOM 625 O SER A 47 25.311 7.798 0.600 1.00 0.00 O ATOM 626 CB SER A 47 23.433 5.404 1.046 1.00 0.00 C ATOM 627 OG SER A 47 23.209 4.252 0.247 1.00 0.00 O ATOM 0 H SER A 47 24.073 5.463 -1.364 1.00 0.00 H new ATOM 0 HA SER A 47 22.193 6.958 0.223 1.00 0.00 H new ATOM 0 HB2 SER A 47 24.441 5.382 1.459 1.00 0.00 H new ATOM 0 HB3 SER A 47 22.743 5.414 1.890 1.00 0.00 H new ATOM 0 HG SER A 47 23.176 3.458 0.820 1.00 0.00 H new ATOM 633 N LEU A 48 23.503 8.752 1.397 1.00 0.00 N ATOM 634 CA LEU A 48 24.297 9.881 1.960 1.00 0.00 C ATOM 635 C LEU A 48 24.987 9.431 3.249 1.00 0.00 C ATOM 636 O LEU A 48 26.093 9.837 3.546 1.00 0.00 O ATOM 637 CB LEU A 48 23.367 11.058 2.258 1.00 0.00 C ATOM 638 CG LEU A 48 22.825 11.620 0.942 1.00 0.00 C ATOM 639 CD1 LEU A 48 21.771 12.687 1.239 1.00 0.00 C ATOM 640 CD2 LEU A 48 23.974 12.243 0.144 1.00 0.00 C ATOM 0 H LEU A 48 22.497 8.804 1.559 1.00 0.00 H new ATOM 0 HA LEU A 48 25.052 10.190 1.237 1.00 0.00 H new ATOM 0 HB2 LEU A 48 22.544 10.734 2.895 1.00 0.00 H new ATOM 0 HB3 LEU A 48 23.906 11.833 2.803 1.00 0.00 H new ATOM 0 HG LEU A 48 22.373 10.816 0.361 1.00 0.00 H new ATOM 0 HD11 LEU A 48 21.385 13.088 0.302 1.00 0.00 H new ATOM 0 HD12 LEU A 48 20.954 12.243 1.808 1.00 0.00 H new ATOM 0 HD13 LEU A 48 22.222 13.492 1.819 1.00 0.00 H new ATOM 0 HD21 LEU A 48 23.590 12.644 -0.794 1.00 0.00 H new ATOM 0 HD22 LEU A 48 24.426 13.047 0.724 1.00 0.00 H new ATOM 0 HD23 LEU A 48 24.725 11.482 -0.067 1.00 0.00 H new ATOM 652 N THR A 49 24.344 8.596 4.018 1.00 0.00 N ATOM 653 CA THR A 49 24.968 8.122 5.286 1.00 0.00 C ATOM 654 C THR A 49 26.261 7.370 4.965 1.00 0.00 C ATOM 655 O THR A 49 27.347 7.831 5.253 1.00 0.00 O ATOM 656 CB THR A 49 24.000 7.188 6.015 1.00 0.00 C ATOM 657 OG1 THR A 49 22.683 7.719 5.940 1.00 0.00 O ATOM 658 CG2 THR A 49 24.417 7.060 7.481 1.00 0.00 C ATOM 0 H THR A 49 23.415 8.222 3.824 1.00 0.00 H new ATOM 0 HA THR A 49 25.193 8.977 5.923 1.00 0.00 H new ATOM 0 HB THR A 49 24.023 6.204 5.546 1.00 0.00 H new ATOM 0 HG1 THR A 49 22.062 7.120 6.405 1.00 0.00 H new ATOM 0 HG21 THR A 49 23.726 6.394 7.999 1.00 0.00 H new ATOM 0 HG22 THR A 49 25.426 6.652 7.538 1.00 0.00 H new ATOM 0 HG23 THR A 49 24.396 8.043 7.952 1.00 0.00 H new ATOM 666 N THR A 50 26.152 6.213 4.369 1.00 0.00 N ATOM 667 CA THR A 50 27.375 5.432 4.031 1.00 0.00 C ATOM 668 C THR A 50 27.857 5.819 2.630 1.00 0.00 C ATOM 669 O THR A 50 28.909 6.403 2.465 1.00 0.00 O ATOM 670 CB THR A 50 27.050 3.937 4.063 1.00 0.00 C ATOM 671 OG1 THR A 50 26.304 3.642 5.235 1.00 0.00 O ATOM 672 CG2 THR A 50 28.350 3.131 4.064 1.00 0.00 C ATOM 0 H THR A 50 25.270 5.776 4.102 1.00 0.00 H new ATOM 0 HA THR A 50 28.158 5.650 4.758 1.00 0.00 H new ATOM 0 HB THR A 50 26.463 3.672 3.183 1.00 0.00 H new ATOM 0 HG1 THR A 50 26.093 2.685 5.256 1.00 0.00 H new ATOM 0 HG21 THR A 50 28.118 2.066 4.087 1.00 0.00 H new ATOM 0 HG22 THR A 50 28.920 3.359 3.163 1.00 0.00 H new ATOM 0 HG23 THR A 50 28.940 3.393 4.943 1.00 0.00 H new ATOM 680 N GLY A 51 27.094 5.497 1.621 1.00 0.00 N ATOM 681 CA GLY A 51 27.509 5.845 0.233 1.00 0.00 C ATOM 682 C GLY A 51 27.439 4.596 -0.646 1.00 0.00 C ATOM 683 O GLY A 51 28.353 4.295 -1.387 1.00 0.00 O ATOM 0 H GLY A 51 26.202 5.008 1.698 1.00 0.00 H new ATOM 0 HA2 GLY A 51 26.859 6.623 -0.168 1.00 0.00 H new ATOM 0 HA3 GLY A 51 28.523 6.246 0.234 1.00 0.00 H new ATOM 687 N GLN A 52 26.360 3.867 -0.570 1.00 0.00 N ATOM 688 CA GLN A 52 26.228 2.638 -1.400 1.00 0.00 C ATOM 689 C GLN A 52 25.577 2.982 -2.740 1.00 0.00 C ATOM 690 O GLN A 52 24.534 3.605 -2.794 1.00 0.00 O ATOM 691 CB GLN A 52 25.358 1.619 -0.664 1.00 0.00 C ATOM 692 CG GLN A 52 26.231 0.468 -0.158 1.00 0.00 C ATOM 693 CD GLN A 52 25.337 -0.697 0.271 1.00 0.00 C ATOM 694 OE1 GLN A 52 25.667 -1.846 0.051 1.00 0.00 O ATOM 695 NE2 GLN A 52 24.208 -0.447 0.877 1.00 0.00 N ATOM 0 H GLN A 52 25.563 4.070 0.033 1.00 0.00 H new ATOM 0 HA GLN A 52 27.218 2.219 -1.578 1.00 0.00 H new ATOM 0 HB2 GLN A 52 24.849 2.097 0.173 1.00 0.00 H new ATOM 0 HB3 GLN A 52 24.585 1.237 -1.331 1.00 0.00 H new ATOM 0 HG2 GLN A 52 26.917 0.145 -0.942 1.00 0.00 H new ATOM 0 HG3 GLN A 52 26.841 0.801 0.682 1.00 0.00 H new ATOM 0 HE21 GLN A 52 23.931 0.517 1.062 1.00 0.00 H new ATOM 0 HE22 GLN A 52 23.603 -1.216 1.166 1.00 0.00 H new ATOM 704 N THR A 53 26.181 2.580 -3.823 1.00 0.00 N ATOM 705 CA THR A 53 25.600 2.880 -5.162 1.00 0.00 C ATOM 706 C THR A 53 24.716 1.704 -5.586 1.00 0.00 C ATOM 707 O THR A 53 25.190 0.732 -6.139 1.00 0.00 O ATOM 708 CB THR A 53 26.737 3.072 -6.176 1.00 0.00 C ATOM 709 OG1 THR A 53 27.259 4.387 -6.049 1.00 0.00 O ATOM 710 CG2 THR A 53 26.212 2.867 -7.599 1.00 0.00 C ATOM 0 H THR A 53 27.055 2.055 -3.839 1.00 0.00 H new ATOM 0 HA THR A 53 25.003 3.791 -5.120 1.00 0.00 H new ATOM 0 HB THR A 53 27.522 2.341 -5.979 1.00 0.00 H new ATOM 0 HG1 THR A 53 27.986 4.514 -6.693 1.00 0.00 H new ATOM 0 HG21 THR A 53 27.026 3.005 -8.311 1.00 0.00 H new ATOM 0 HG22 THR A 53 25.812 1.858 -7.697 1.00 0.00 H new ATOM 0 HG23 THR A 53 25.424 3.592 -7.804 1.00 0.00 H new ATOM 718 N GLY A 54 23.437 1.786 -5.342 1.00 0.00 N ATOM 719 CA GLY A 54 22.538 0.665 -5.735 1.00 0.00 C ATOM 720 C GLY A 54 21.422 1.177 -6.646 1.00 0.00 C ATOM 721 O GLY A 54 20.816 2.198 -6.393 1.00 0.00 O ATOM 0 H GLY A 54 22.978 2.576 -4.890 1.00 0.00 H new ATOM 0 HA2 GLY A 54 23.111 -0.107 -6.248 1.00 0.00 H new ATOM 0 HA3 GLY A 54 22.109 0.205 -4.845 1.00 0.00 H new ATOM 725 N TYR A 55 21.150 0.469 -7.709 1.00 0.00 N ATOM 726 CA TYR A 55 20.076 0.901 -8.643 1.00 0.00 C ATOM 727 C TYR A 55 18.713 0.563 -8.035 1.00 0.00 C ATOM 728 O TYR A 55 18.256 -0.561 -8.106 1.00 0.00 O ATOM 729 CB TYR A 55 20.236 0.159 -9.971 1.00 0.00 C ATOM 730 CG TYR A 55 20.966 1.047 -10.981 1.00 0.00 C ATOM 731 CD1 TYR A 55 20.309 2.088 -11.602 1.00 0.00 C ATOM 732 CD2 TYR A 55 22.284 0.799 -11.307 1.00 0.00 C ATOM 733 CE1 TYR A 55 20.958 2.869 -12.537 1.00 0.00 C ATOM 734 CE2 TYR A 55 22.934 1.579 -12.242 1.00 0.00 C ATOM 735 CZ TYR A 55 22.275 2.620 -12.864 1.00 0.00 C ATOM 736 OH TYR A 55 22.924 3.401 -13.800 1.00 0.00 O ATOM 0 H TYR A 55 21.629 -0.393 -7.970 1.00 0.00 H new ATOM 0 HA TYR A 55 20.145 1.976 -8.812 1.00 0.00 H new ATOM 0 HB2 TYR A 55 20.794 -0.765 -9.816 1.00 0.00 H new ATOM 0 HB3 TYR A 55 19.257 -0.121 -10.361 1.00 0.00 H new ATOM 0 HD1 TYR A 55 19.278 2.294 -11.355 1.00 0.00 H new ATOM 0 HD2 TYR A 55 22.811 -0.012 -10.827 1.00 0.00 H new ATOM 0 HE1 TYR A 55 20.431 3.681 -13.016 1.00 0.00 H new ATOM 0 HE2 TYR A 55 23.965 1.373 -12.489 1.00 0.00 H new ATOM 0 HH TYR A 55 23.846 3.086 -13.907 1.00 0.00 H new ATOM 746 N ILE A 56 18.056 1.521 -7.438 1.00 0.00 N ATOM 747 CA ILE A 56 16.724 1.235 -6.832 1.00 0.00 C ATOM 748 C ILE A 56 15.654 1.283 -7.930 1.00 0.00 C ATOM 749 O ILE A 56 15.700 2.139 -8.792 1.00 0.00 O ATOM 750 CB ILE A 56 16.406 2.282 -5.761 1.00 0.00 C ATOM 751 CG1 ILE A 56 16.465 3.680 -6.382 1.00 0.00 C ATOM 752 CG2 ILE A 56 17.434 2.187 -4.632 1.00 0.00 C ATOM 753 CD1 ILE A 56 15.141 4.404 -6.141 1.00 0.00 C ATOM 0 H ILE A 56 18.381 2.483 -7.344 1.00 0.00 H new ATOM 0 HA ILE A 56 16.737 0.247 -6.371 1.00 0.00 H new ATOM 0 HB ILE A 56 15.408 2.100 -5.362 1.00 0.00 H new ATOM 0 HG12 ILE A 56 17.287 4.248 -5.946 1.00 0.00 H new ATOM 0 HG13 ILE A 56 16.661 3.606 -7.452 1.00 0.00 H new ATOM 0 HG21 ILE A 56 17.207 2.933 -3.870 1.00 0.00 H new ATOM 0 HG22 ILE A 56 17.397 1.192 -4.189 1.00 0.00 H new ATOM 0 HG23 ILE A 56 18.432 2.369 -5.032 1.00 0.00 H new ATOM 0 HD11 ILE A 56 15.185 5.399 -6.584 1.00 0.00 H new ATOM 0 HD12 ILE A 56 14.329 3.839 -6.598 1.00 0.00 H new ATOM 0 HD13 ILE A 56 14.964 4.491 -5.069 1.00 0.00 H new ATOM 765 N PRO A 57 14.723 0.363 -7.871 1.00 0.00 N ATOM 766 CA PRO A 57 13.635 0.288 -8.862 1.00 0.00 C ATOM 767 C PRO A 57 12.726 1.515 -8.745 1.00 0.00 C ATOM 768 O PRO A 57 12.637 2.137 -7.706 1.00 0.00 O ATOM 769 CB PRO A 57 12.863 -0.987 -8.501 1.00 0.00 C ATOM 770 CG PRO A 57 13.523 -1.597 -7.238 1.00 0.00 C ATOM 771 CD PRO A 57 14.683 -0.677 -6.826 1.00 0.00 C ATOM 0 HA PRO A 57 14.008 0.266 -9.886 1.00 0.00 H new ATOM 0 HB2 PRO A 57 11.814 -0.758 -8.312 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.890 -1.697 -9.327 1.00 0.00 H new ATOM 0 HG2 PRO A 57 12.796 -1.682 -6.430 1.00 0.00 H new ATOM 0 HG3 PRO A 57 13.888 -2.603 -7.445 1.00 0.00 H new ATOM 0 HD2 PRO A 57 14.514 -0.243 -5.841 1.00 0.00 H new ATOM 0 HD3 PRO A 57 15.624 -1.224 -6.775 1.00 0.00 H new ATOM 779 N SER A 58 12.051 1.864 -9.806 1.00 0.00 N ATOM 780 CA SER A 58 11.149 3.048 -9.756 1.00 0.00 C ATOM 781 C SER A 58 9.920 2.709 -8.912 1.00 0.00 C ATOM 782 O SER A 58 9.155 3.574 -8.533 1.00 0.00 O ATOM 783 CB SER A 58 10.708 3.413 -11.174 1.00 0.00 C ATOM 784 OG SER A 58 10.730 2.251 -11.991 1.00 0.00 O ATOM 0 H SER A 58 12.085 1.381 -10.704 1.00 0.00 H new ATOM 0 HA SER A 58 11.677 3.892 -9.312 1.00 0.00 H new ATOM 0 HB2 SER A 58 9.705 3.839 -11.156 1.00 0.00 H new ATOM 0 HB3 SER A 58 11.370 4.174 -11.588 1.00 0.00 H new ATOM 0 HG SER A 58 11.652 2.057 -12.259 1.00 0.00 H new ATOM 790 N ASN A 59 9.726 1.453 -8.613 1.00 0.00 N ATOM 791 CA ASN A 59 8.548 1.053 -7.793 1.00 0.00 C ATOM 792 C ASN A 59 8.940 1.012 -6.315 1.00 0.00 C ATOM 793 O ASN A 59 8.097 1.056 -5.440 1.00 0.00 O ATOM 794 CB ASN A 59 8.070 -0.333 -8.231 1.00 0.00 C ATOM 795 CG ASN A 59 6.542 -0.343 -8.317 1.00 0.00 C ATOM 796 OD1 ASN A 59 5.886 0.527 -7.780 1.00 0.00 O ATOM 797 ND2 ASN A 59 5.945 -1.299 -8.975 1.00 0.00 N ATOM 0 H ASN A 59 10.333 0.686 -8.902 1.00 0.00 H new ATOM 0 HA ASN A 59 7.746 1.778 -7.935 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.501 -0.589 -9.199 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.410 -1.087 -7.521 1.00 0.00 H new ATOM 0 HD21 ASN A 59 4.927 -1.316 -9.039 1.00 0.00 H new ATOM 0 HD22 ASN A 59 6.496 -2.029 -9.426 1.00 0.00 H new ATOM 804 N TYR A 60 10.211 0.929 -6.024 1.00 0.00 N ATOM 805 CA TYR A 60 10.643 0.885 -4.599 1.00 0.00 C ATOM 806 C TYR A 60 11.012 2.294 -4.135 1.00 0.00 C ATOM 807 O TYR A 60 11.567 2.480 -3.070 1.00 0.00 O ATOM 808 CB TYR A 60 11.845 -0.050 -4.453 1.00 0.00 C ATOM 809 CG TYR A 60 11.340 -1.479 -4.239 1.00 0.00 C ATOM 810 CD1 TYR A 60 10.276 -1.960 -4.975 1.00 0.00 C ATOM 811 CD2 TYR A 60 11.931 -2.302 -3.305 1.00 0.00 C ATOM 812 CE1 TYR A 60 9.809 -3.244 -4.775 1.00 0.00 C ATOM 813 CE2 TYR A 60 11.465 -3.586 -3.104 1.00 0.00 C ATOM 814 CZ TYR A 60 10.401 -4.066 -3.838 1.00 0.00 C ATOM 815 OH TYR A 60 9.933 -5.349 -3.638 1.00 0.00 O ATOM 0 H TYR A 60 10.965 0.890 -6.709 1.00 0.00 H new ATOM 0 HA TYR A 60 9.827 0.509 -3.982 1.00 0.00 H new ATOM 0 HB2 TYR A 60 12.471 -0.001 -5.344 1.00 0.00 H new ATOM 0 HB3 TYR A 60 12.464 0.261 -3.611 1.00 0.00 H new ATOM 0 HD1 TYR A 60 9.805 -1.327 -5.713 1.00 0.00 H new ATOM 0 HD2 TYR A 60 12.767 -1.939 -2.725 1.00 0.00 H new ATOM 0 HE1 TYR A 60 8.974 -3.608 -5.356 1.00 0.00 H new ATOM 0 HE2 TYR A 60 11.937 -4.219 -2.367 1.00 0.00 H new ATOM 0 HH TYR A 60 10.467 -5.787 -2.942 1.00 0.00 H new ATOM 825 N VAL A 61 10.694 3.287 -4.925 1.00 0.00 N ATOM 826 CA VAL A 61 11.019 4.691 -4.547 1.00 0.00 C ATOM 827 C VAL A 61 9.848 5.599 -4.931 1.00 0.00 C ATOM 828 O VAL A 61 8.756 5.142 -5.202 1.00 0.00 O ATOM 829 CB VAL A 61 12.302 5.133 -5.267 1.00 0.00 C ATOM 830 CG1 VAL A 61 11.978 5.681 -6.662 1.00 0.00 C ATOM 831 CG2 VAL A 61 13.008 6.212 -4.442 1.00 0.00 C ATOM 0 H VAL A 61 10.220 3.182 -5.822 1.00 0.00 H new ATOM 0 HA VAL A 61 11.182 4.759 -3.471 1.00 0.00 H new ATOM 0 HB VAL A 61 12.956 4.268 -5.376 1.00 0.00 H new ATOM 0 HG11 VAL A 61 12.900 5.989 -7.155 1.00 0.00 H new ATOM 0 HG12 VAL A 61 11.491 4.906 -7.254 1.00 0.00 H new ATOM 0 HG13 VAL A 61 11.312 6.539 -6.570 1.00 0.00 H new ATOM 0 HG21 VAL A 61 13.918 6.524 -4.954 1.00 0.00 H new ATOM 0 HG22 VAL A 61 12.346 7.070 -4.322 1.00 0.00 H new ATOM 0 HG23 VAL A 61 13.263 5.811 -3.461 1.00 0.00 H new ATOM 841 N ALA A 62 10.072 6.879 -4.958 1.00 0.00 N ATOM 842 CA ALA A 62 8.976 7.821 -5.325 1.00 0.00 C ATOM 843 C ALA A 62 9.477 9.267 -5.205 1.00 0.00 C ATOM 844 O ALA A 62 9.698 9.750 -4.113 1.00 0.00 O ATOM 845 CB ALA A 62 7.795 7.617 -4.374 1.00 0.00 C ATOM 0 H ALA A 62 10.967 7.318 -4.742 1.00 0.00 H new ATOM 0 HA ALA A 62 8.662 7.629 -6.351 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.991 8.304 -4.639 1.00 0.00 H new ATOM 0 HB2 ALA A 62 7.436 6.591 -4.454 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.115 7.811 -3.350 1.00 0.00 H new ATOM 851 N PRO A 63 9.643 9.919 -6.333 1.00 0.00 N ATOM 852 CA PRO A 63 10.118 11.315 -6.363 1.00 0.00 C ATOM 853 C PRO A 63 9.138 12.222 -5.614 1.00 0.00 C ATOM 854 O PRO A 63 7.975 12.312 -5.957 1.00 0.00 O ATOM 855 CB PRO A 63 10.164 11.684 -7.852 1.00 0.00 C ATOM 856 CG PRO A 63 9.683 10.450 -8.658 1.00 0.00 C ATOM 857 CD PRO A 63 9.374 9.327 -7.655 1.00 0.00 C ATOM 0 HA PRO A 63 11.089 11.433 -5.883 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.526 12.544 -8.053 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.176 11.962 -8.146 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.796 10.696 -9.241 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.450 10.132 -9.364 1.00 0.00 H new ATOM 0 HD2 PRO A 63 8.338 8.997 -7.737 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.002 8.454 -7.833 1.00 0.00 H new ATOM 865 N SER A 64 9.596 12.896 -4.595 1.00 0.00 N ATOM 866 CA SER A 64 8.690 13.794 -3.827 1.00 0.00 C ATOM 867 C SER A 64 7.938 14.709 -4.796 1.00 0.00 C ATOM 868 O SER A 64 6.730 14.572 -4.893 1.00 0.00 O ATOM 869 CB SER A 64 9.513 14.644 -2.858 1.00 0.00 C ATOM 870 OG SER A 64 8.689 15.072 -1.785 1.00 0.00 O ATOM 871 OXT SER A 64 8.583 15.531 -5.425 1.00 0.00 O ATOM 0 H SER A 64 10.559 12.863 -4.261 1.00 0.00 H new ATOM 0 HA SER A 64 7.975 13.193 -3.265 1.00 0.00 H new ATOM 0 HB2 SER A 64 10.355 14.066 -2.476 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.929 15.507 -3.378 1.00 0.00 H new ATOM 0 HG SER A 64 9.217 15.615 -1.163 1.00 0.00 H new TER 877 SER A 64