USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 674 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 32 SER OG : rot 102:sc= -3.62! USER MOD Set 1.2: A 35 LYS NZ :NH3+ 137:sc= 0.163 (180deg=-2.92!) USER MOD Set 1.3: A 64 MET CE :methyl 146:sc= -8.98! (180deg=-5.86!) USER MOD Set 2.1: A 42 ASN : amide:sc= -8.6! C(o=-12!,f=-5.8!) USER MOD Set 2.2: A 43 SER OG : rot 118:sc= -3.22! USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -164:sc= -2.56! (180deg=-3.19!) USER MOD Single : A 16 LYS NZ :NH3+ -132:sc= -0.67 (180deg=-1.77) USER MOD Single : A 17 TYR OH : rot 60:sc= -2.66! USER MOD Single : A 23 SER OG : rot 13:sc= 0.423! USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -1.86! C(o=-1.9!,f=-1.3!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 106:sc= -5.37! USER MOD Single : A 61 HIS : no HD1:sc= -6.61! K(o=-6.6!,f=-3.5) USER MOD Single : A 74 MET CE :methyl -141:sc= -3! (180deg=-7.24!) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 103:sc= 0.213 USER MOD Single : A 88 MET CE :methyl -152:sc= -0.503 (180deg=-2.46!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 15 N TRP A 7 -12.059 -1.747 18.149 1.00 0.00 N ATOM 16 CA TRP A 7 -11.250 -1.252 17.004 1.00 0.00 C ATOM 17 C TRP A 7 -10.573 -2.426 16.291 1.00 0.00 C ATOM 18 O TRP A 7 -10.076 -3.342 16.914 1.00 0.00 O ATOM 19 CB TRP A 7 -10.201 -0.334 17.634 1.00 0.00 C ATOM 20 CG TRP A 7 -9.427 0.334 16.549 1.00 0.00 C ATOM 21 CD1 TRP A 7 -9.878 0.524 15.293 1.00 0.00 C ATOM 22 CD2 TRP A 7 -8.085 0.900 16.597 1.00 0.00 C ATOM 23 NE1 TRP A 7 -8.898 1.163 14.557 1.00 0.00 N ATOM 24 CE2 TRP A 7 -7.775 1.421 15.318 1.00 0.00 C ATOM 25 CE3 TRP A 7 -7.119 1.012 17.611 1.00 0.00 C ATOM 26 CZ2 TRP A 7 -6.548 2.031 15.055 1.00 0.00 C ATOM 27 CZ3 TRP A 7 -5.881 1.625 17.350 1.00 0.00 C ATOM 28 CH2 TRP A 7 -5.597 2.133 16.074 1.00 0.00 C ATOM 0 HA TRP A 7 -11.856 -0.734 16.261 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -10.684 0.411 18.266 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -9.532 -0.910 18.274 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -10.847 0.225 14.922 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -8.993 1.413 13.573 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -7.329 0.625 18.597 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -6.335 2.422 14.071 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -5.145 1.705 18.136 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -4.644 2.603 15.879 1.00 0.00 H new ATOM 39 N ALA A 8 -10.555 -2.402 14.988 1.00 0.00 N ATOM 40 CA ALA A 8 -9.916 -3.512 14.227 1.00 0.00 C ATOM 41 C ALA A 8 -8.444 -3.639 14.612 1.00 0.00 C ATOM 42 O ALA A 8 -7.854 -4.696 14.507 1.00 0.00 O ATOM 43 CB ALA A 8 -10.052 -3.110 12.761 1.00 0.00 C ATOM 0 H ALA A 8 -10.956 -1.660 14.415 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.381 -4.476 14.433 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.604 -3.878 12.130 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -11.107 -3.003 12.509 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -9.542 -2.161 12.595 1.00 0.00 H new ATOM 49 N VAL A 9 -7.844 -2.574 15.063 1.00 0.00 N ATOM 50 CA VAL A 9 -6.409 -2.654 15.457 1.00 0.00 C ATOM 51 C VAL A 9 -6.304 -2.907 16.963 1.00 0.00 C ATOM 52 O VAL A 9 -7.240 -2.680 17.704 1.00 0.00 O ATOM 53 CB VAL A 9 -5.807 -1.298 15.085 1.00 0.00 C ATOM 54 CG1 VAL A 9 -4.481 -1.105 15.824 1.00 0.00 C ATOM 55 CG2 VAL A 9 -5.557 -1.250 13.574 1.00 0.00 C ATOM 0 H VAL A 9 -8.280 -1.659 15.176 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.883 -3.468 14.957 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.499 -0.505 15.368 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.053 -0.138 15.558 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.655 -1.141 16.899 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.788 -1.898 15.542 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.128 -0.284 13.307 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.865 -2.044 13.294 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.500 -1.387 13.045 1.00 0.00 H new ATOM 65 N LYS A 10 -5.183 -3.388 17.423 1.00 0.00 N ATOM 66 CA LYS A 10 -5.038 -3.665 18.879 1.00 0.00 C ATOM 67 C LYS A 10 -4.103 -2.645 19.527 1.00 0.00 C ATOM 68 O LYS A 10 -3.461 -1.868 18.849 1.00 0.00 O ATOM 69 CB LYS A 10 -4.429 -5.064 18.951 1.00 0.00 C ATOM 70 CG LYS A 10 -5.528 -6.090 19.226 1.00 0.00 C ATOM 71 CD LYS A 10 -4.898 -7.472 19.407 1.00 0.00 C ATOM 72 CE LYS A 10 -5.480 -8.436 18.372 1.00 0.00 C ATOM 73 NZ LYS A 10 -6.485 -9.239 19.122 1.00 0.00 N ATOM 0 H LYS A 10 -4.363 -3.601 16.855 1.00 0.00 H new ATOM 0 HA LYS A 10 -5.990 -3.600 19.407 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.924 -5.300 18.014 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.676 -5.103 19.738 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.085 -5.812 20.121 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.239 -6.108 18.400 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.816 -7.408 19.292 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.091 -7.842 20.414 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.942 -7.897 17.545 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.705 -9.072 17.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.930 -9.925 18.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.015 -9.746 19.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.213 -8.607 19.512 1.00 0.00 H new ATOM 87 N PRO A 11 -4.053 -2.697 20.828 1.00 0.00 N ATOM 88 CA PRO A 11 -3.177 -1.780 21.594 1.00 0.00 C ATOM 89 C PRO A 11 -1.718 -2.175 21.385 1.00 0.00 C ATOM 90 O PRO A 11 -0.835 -1.341 21.337 1.00 0.00 O ATOM 91 CB PRO A 11 -3.599 -2.011 23.043 1.00 0.00 C ATOM 92 CG PRO A 11 -4.186 -3.386 23.058 1.00 0.00 C ATOM 93 CD PRO A 11 -4.799 -3.610 21.701 1.00 0.00 C ATOM 0 HA PRO A 11 -3.267 -0.736 21.295 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.747 -1.938 23.719 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.327 -1.267 23.366 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -3.419 -4.132 23.264 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -4.938 -3.477 23.842 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.694 -4.646 21.380 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -5.865 -3.383 21.701 1.00 0.00 H new ATOM 101 N GLU A 12 -1.464 -3.446 21.252 1.00 0.00 N ATOM 102 CA GLU A 12 -0.065 -3.912 21.035 1.00 0.00 C ATOM 103 C GLU A 12 0.320 -3.694 19.573 1.00 0.00 C ATOM 104 O GLU A 12 1.468 -3.479 19.244 1.00 0.00 O ATOM 105 CB GLU A 12 -0.064 -5.410 21.369 1.00 0.00 C ATOM 106 CG GLU A 12 -1.040 -5.699 22.515 1.00 0.00 C ATOM 107 CD GLU A 12 -0.503 -6.849 23.371 1.00 0.00 C ATOM 108 OE1 GLU A 12 -0.352 -7.937 22.839 1.00 0.00 O ATOM 109 OE2 GLU A 12 -0.254 -6.622 24.543 1.00 0.00 O ATOM 0 H GLU A 12 -2.166 -4.185 21.284 1.00 0.00 H new ATOM 0 HA GLU A 12 0.650 -3.369 21.654 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -0.346 -5.986 20.488 1.00 0.00 H new ATOM 0 HB3 GLU A 12 0.941 -5.727 21.649 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.171 -4.807 23.128 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.020 -5.958 22.115 1.00 0.00 H new ATOM 116 N ASP A 13 -0.644 -3.736 18.694 1.00 0.00 N ATOM 117 CA ASP A 13 -0.349 -3.518 17.251 1.00 0.00 C ATOM 118 C ASP A 13 -0.249 -2.020 16.988 1.00 0.00 C ATOM 119 O ASP A 13 0.533 -1.566 16.177 1.00 0.00 O ATOM 120 CB ASP A 13 -1.540 -4.120 16.505 1.00 0.00 C ATOM 121 CG ASP A 13 -1.399 -5.642 16.466 1.00 0.00 C ATOM 122 OD1 ASP A 13 -1.006 -6.206 17.474 1.00 0.00 O ATOM 123 OD2 ASP A 13 -1.686 -6.218 15.429 1.00 0.00 O ATOM 0 H ASP A 13 -1.624 -3.912 18.914 1.00 0.00 H new ATOM 0 HA ASP A 13 0.589 -3.973 16.933 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -2.471 -3.843 17.000 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -1.587 -3.722 15.491 1.00 0.00 H new ATOM 128 N LYS A 14 -1.032 -1.249 17.688 1.00 0.00 N ATOM 129 CA LYS A 14 -0.987 0.225 17.509 1.00 0.00 C ATOM 130 C LYS A 14 0.302 0.767 18.123 1.00 0.00 C ATOM 131 O LYS A 14 0.757 1.846 17.799 1.00 0.00 O ATOM 132 CB LYS A 14 -2.212 0.748 18.260 1.00 0.00 C ATOM 133 CG LYS A 14 -2.022 2.227 18.604 1.00 0.00 C ATOM 134 CD LYS A 14 -1.933 3.044 17.315 1.00 0.00 C ATOM 135 CE LYS A 14 -2.627 4.392 17.520 1.00 0.00 C ATOM 136 NZ LYS A 14 -2.028 5.291 16.496 1.00 0.00 N ATOM 0 H LYS A 14 -1.704 -1.580 18.380 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.000 0.530 16.463 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.106 0.620 17.649 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.364 0.170 19.172 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.854 2.579 19.213 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.116 2.360 19.195 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.890 3.198 17.040 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.402 2.502 16.494 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.705 4.305 17.387 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.459 4.773 18.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.239 6.280 16.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.997 5.153 16.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.428 5.069 15.562 1.00 0.00 H new ATOM 150 N ALA A 15 0.901 0.011 19.001 1.00 0.00 N ATOM 151 CA ALA A 15 2.171 0.464 19.628 1.00 0.00 C ATOM 152 C ALA A 15 3.294 0.342 18.605 1.00 0.00 C ATOM 153 O ALA A 15 4.126 1.217 18.470 1.00 0.00 O ATOM 154 CB ALA A 15 2.396 -0.486 20.806 1.00 0.00 C ATOM 0 H ALA A 15 0.565 -0.901 19.310 1.00 0.00 H new ATOM 0 HA ALA A 15 2.140 1.501 19.961 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.318 -0.215 21.321 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.558 -0.411 21.499 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.473 -1.509 20.439 1.00 0.00 H new ATOM 160 N LYS A 16 3.310 -0.728 17.859 1.00 0.00 N ATOM 161 CA LYS A 16 4.362 -0.881 16.827 1.00 0.00 C ATOM 162 C LYS A 16 4.041 0.071 15.673 1.00 0.00 C ATOM 163 O LYS A 16 4.913 0.529 14.962 1.00 0.00 O ATOM 164 CB LYS A 16 4.306 -2.359 16.416 1.00 0.00 C ATOM 165 CG LYS A 16 3.459 -2.540 15.157 1.00 0.00 C ATOM 166 CD LYS A 16 3.543 -3.994 14.684 1.00 0.00 C ATOM 167 CE LYS A 16 5.004 -4.449 14.679 1.00 0.00 C ATOM 168 NZ LYS A 16 5.185 -5.170 15.969 1.00 0.00 N ATOM 0 H LYS A 16 2.642 -1.497 17.922 1.00 0.00 H new ATOM 0 HA LYS A 16 5.367 -0.632 17.169 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.315 -2.730 16.237 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.888 -2.952 17.230 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.422 -2.274 15.363 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.810 -1.871 14.371 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.954 -4.635 15.340 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.119 -4.087 13.684 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.212 -5.100 13.830 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.682 -3.599 14.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.049 -4.831 16.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.365 -4.992 16.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.267 -6.191 15.788 1.00 0.00 H new ATOM 182 N TYR A 17 2.783 0.395 15.514 1.00 0.00 N ATOM 183 CA TYR A 17 2.385 1.348 14.443 1.00 0.00 C ATOM 184 C TYR A 17 2.791 2.754 14.872 1.00 0.00 C ATOM 185 O TYR A 17 3.224 3.566 14.077 1.00 0.00 O ATOM 186 CB TYR A 17 0.858 1.272 14.362 1.00 0.00 C ATOM 187 CG TYR A 17 0.398 -0.125 14.008 1.00 0.00 C ATOM 188 CD1 TYR A 17 1.327 -1.125 13.711 1.00 0.00 C ATOM 189 CD2 TYR A 17 -0.973 -0.411 13.976 1.00 0.00 C ATOM 190 CE1 TYR A 17 0.886 -2.413 13.382 1.00 0.00 C ATOM 191 CE2 TYR A 17 -1.414 -1.698 13.645 1.00 0.00 C ATOM 192 CZ TYR A 17 -0.484 -2.700 13.349 1.00 0.00 C ATOM 193 OH TYR A 17 -0.915 -3.969 13.022 1.00 0.00 O ATOM 0 H TYR A 17 2.015 0.038 16.083 1.00 0.00 H new ATOM 0 HA TYR A 17 2.853 1.114 13.487 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.425 1.569 15.317 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.495 1.978 13.615 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.384 -0.905 13.735 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.691 0.362 14.207 1.00 0.00 H new ATOM 0 HE1 TYR A 17 1.604 -3.186 13.153 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -2.471 -1.917 13.618 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.553 -4.613 13.666 1.00 0.00 H new ATOM 203 N ASP A 18 2.640 3.040 16.137 1.00 0.00 N ATOM 204 CA ASP A 18 3.002 4.392 16.651 1.00 0.00 C ATOM 205 C ASP A 18 4.522 4.548 16.702 1.00 0.00 C ATOM 206 O ASP A 18 5.040 5.638 16.846 1.00 0.00 O ATOM 207 CB ASP A 18 2.402 4.459 18.055 1.00 0.00 C ATOM 208 CG ASP A 18 2.032 5.908 18.382 1.00 0.00 C ATOM 209 OD1 ASP A 18 2.933 6.727 18.451 1.00 0.00 O ATOM 210 OD2 ASP A 18 0.854 6.173 18.554 1.00 0.00 O ATOM 0 H ASP A 18 2.280 2.393 16.839 1.00 0.00 H new ATOM 0 HA ASP A 18 2.625 5.191 16.013 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.518 3.824 18.115 1.00 0.00 H new ATOM 0 HB3 ASP A 18 3.117 4.081 18.786 1.00 0.00 H new ATOM 215 N ALA A 19 5.243 3.472 16.552 1.00 0.00 N ATOM 216 CA ALA A 19 6.727 3.569 16.555 1.00 0.00 C ATOM 217 C ALA A 19 7.170 3.676 15.106 1.00 0.00 C ATOM 218 O ALA A 19 8.124 4.348 14.768 1.00 0.00 O ATOM 219 CB ALA A 19 7.226 2.270 17.186 1.00 0.00 C ATOM 0 H ALA A 19 4.868 2.531 16.428 1.00 0.00 H new ATOM 0 HA ALA A 19 7.112 4.427 17.106 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.315 2.276 17.219 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.833 2.183 18.199 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.886 1.422 16.591 1.00 0.00 H new ATOM 225 N ILE A 20 6.432 3.036 14.248 1.00 0.00 N ATOM 226 CA ILE A 20 6.722 3.093 12.802 1.00 0.00 C ATOM 227 C ILE A 20 6.197 4.429 12.278 1.00 0.00 C ATOM 228 O ILE A 20 6.717 4.997 11.337 1.00 0.00 O ATOM 229 CB ILE A 20 5.931 1.915 12.234 1.00 0.00 C ATOM 230 CG1 ILE A 20 6.670 0.610 12.544 1.00 0.00 C ATOM 231 CG2 ILE A 20 5.774 2.062 10.725 1.00 0.00 C ATOM 232 CD1 ILE A 20 5.773 -0.579 12.196 1.00 0.00 C ATOM 0 H ILE A 20 5.624 2.465 14.498 1.00 0.00 H new ATOM 0 HA ILE A 20 7.777 3.028 12.537 1.00 0.00 H new ATOM 0 HB ILE A 20 4.942 1.898 12.692 1.00 0.00 H new ATOM 0 HG12 ILE A 20 7.597 0.560 11.972 1.00 0.00 H new ATOM 0 HG13 ILE A 20 6.944 0.576 13.599 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.209 1.216 10.334 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.243 2.987 10.503 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.758 2.088 10.258 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.299 -1.508 12.416 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.859 -0.530 12.787 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.522 -0.547 11.136 1.00 0.00 H new ATOM 244 N PHE A 21 5.175 4.943 12.912 1.00 0.00 N ATOM 245 CA PHE A 21 4.607 6.252 12.496 1.00 0.00 C ATOM 246 C PHE A 21 5.567 7.363 12.933 1.00 0.00 C ATOM 247 O PHE A 21 5.775 8.338 12.239 1.00 0.00 O ATOM 248 CB PHE A 21 3.258 6.339 13.235 1.00 0.00 C ATOM 249 CG PHE A 21 2.940 7.772 13.614 1.00 0.00 C ATOM 250 CD1 PHE A 21 3.628 8.383 14.670 1.00 0.00 C ATOM 251 CD2 PHE A 21 1.958 8.484 12.914 1.00 0.00 C ATOM 252 CE1 PHE A 21 3.336 9.704 15.024 1.00 0.00 C ATOM 253 CE2 PHE A 21 1.667 9.807 13.269 1.00 0.00 C ATOM 254 CZ PHE A 21 2.358 10.417 14.325 1.00 0.00 C ATOM 0 H PHE A 21 4.708 4.505 13.706 1.00 0.00 H new ATOM 0 HA PHE A 21 4.470 6.354 11.419 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.465 5.942 12.601 1.00 0.00 H new ATOM 0 HB3 PHE A 21 3.289 5.720 14.132 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.384 7.834 15.211 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.425 8.013 12.101 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.867 10.174 15.839 1.00 0.00 H new ATOM 0 HE2 PHE A 21 0.910 10.357 12.729 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.135 11.438 14.598 1.00 0.00 H new ATOM 264 N ASP A 22 6.156 7.204 14.085 1.00 0.00 N ATOM 265 CA ASP A 22 7.114 8.222 14.596 1.00 0.00 C ATOM 266 C ASP A 22 8.534 7.882 14.132 1.00 0.00 C ATOM 267 O ASP A 22 9.483 8.576 14.440 1.00 0.00 O ATOM 268 CB ASP A 22 7.002 8.141 16.119 1.00 0.00 C ATOM 269 CG ASP A 22 8.206 8.834 16.759 1.00 0.00 C ATOM 270 OD1 ASP A 22 9.226 8.183 16.914 1.00 0.00 O ATOM 271 OD2 ASP A 22 8.088 10.005 17.083 1.00 0.00 O ATOM 0 H ASP A 22 6.013 6.403 14.700 1.00 0.00 H new ATOM 0 HA ASP A 22 6.894 9.225 14.230 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.078 8.614 16.452 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.959 7.099 16.436 1.00 0.00 H new ATOM 276 N SER A 23 8.682 6.829 13.371 1.00 0.00 N ATOM 277 CA SER A 23 10.034 6.459 12.862 1.00 0.00 C ATOM 278 C SER A 23 10.240 7.117 11.500 1.00 0.00 C ATOM 279 O SER A 23 11.288 7.021 10.894 1.00 0.00 O ATOM 280 CB SER A 23 10.015 4.938 12.729 1.00 0.00 C ATOM 281 OG SER A 23 10.890 4.551 11.677 1.00 0.00 O ATOM 0 H SER A 23 7.925 6.210 13.081 1.00 0.00 H new ATOM 0 HA SER A 23 10.841 6.785 13.518 1.00 0.00 H new ATOM 0 HB2 SER A 23 10.326 4.475 13.666 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.002 4.591 12.522 1.00 0.00 H new ATOM 0 HG SER A 23 11.449 5.314 11.419 1.00 0.00 H new ATOM 287 N LEU A 24 9.232 7.796 11.030 1.00 0.00 N ATOM 288 CA LEU A 24 9.321 8.490 9.718 1.00 0.00 C ATOM 289 C LEU A 24 9.280 10.001 9.960 1.00 0.00 C ATOM 290 O LEU A 24 9.382 10.791 9.042 1.00 0.00 O ATOM 291 CB LEU A 24 8.074 8.060 8.924 1.00 0.00 C ATOM 292 CG LEU A 24 7.469 6.768 9.483 1.00 0.00 C ATOM 293 CD1 LEU A 24 6.151 6.472 8.766 1.00 0.00 C ATOM 294 CD2 LEU A 24 8.435 5.607 9.258 1.00 0.00 C ATOM 0 H LEU A 24 8.337 7.900 11.508 1.00 0.00 H new ATOM 0 HA LEU A 24 10.237 8.244 9.182 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.329 8.855 8.956 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.340 7.915 7.877 1.00 0.00 H new ATOM 0 HG LEU A 24 7.289 6.888 10.551 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.719 5.553 9.163 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.457 7.297 8.925 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.336 6.355 7.698 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.001 4.690 9.657 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.618 5.487 8.190 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.377 5.814 9.766 1.00 0.00 H new ATOM 306 N SER A 25 9.108 10.394 11.201 1.00 0.00 N ATOM 307 CA SER A 25 9.030 11.846 11.558 1.00 0.00 C ATOM 308 C SER A 25 7.625 12.369 11.260 1.00 0.00 C ATOM 309 O SER A 25 7.304 12.712 10.140 1.00 0.00 O ATOM 310 CB SER A 25 10.074 12.559 10.708 1.00 0.00 C ATOM 311 OG SER A 25 10.505 13.736 11.380 1.00 0.00 O ATOM 0 H SER A 25 9.017 9.758 11.994 1.00 0.00 H new ATOM 0 HA SER A 25 9.224 12.016 12.617 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.923 11.900 10.525 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.654 12.815 9.735 1.00 0.00 H new ATOM 0 HG SER A 25 11.178 14.196 10.836 1.00 0.00 H new ATOM 317 N PRO A 26 6.834 12.395 12.292 1.00 0.00 N ATOM 318 CA PRO A 26 5.430 12.859 12.184 1.00 0.00 C ATOM 319 C PRO A 26 5.380 14.367 11.970 1.00 0.00 C ATOM 320 O PRO A 26 6.204 15.111 12.464 1.00 0.00 O ATOM 321 CB PRO A 26 4.827 12.485 13.534 1.00 0.00 C ATOM 322 CG PRO A 26 5.991 12.436 14.469 1.00 0.00 C ATOM 323 CD PRO A 26 7.181 11.999 13.656 1.00 0.00 C ATOM 0 HA PRO A 26 4.897 12.415 11.343 1.00 0.00 H new ATOM 0 HB2 PRO A 26 4.091 13.221 13.856 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.316 11.523 13.487 1.00 0.00 H new ATOM 0 HG2 PRO A 26 6.167 13.413 14.919 1.00 0.00 H new ATOM 0 HG3 PRO A 26 5.803 11.739 15.285 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.096 12.485 13.993 1.00 0.00 H new ATOM 0 HD3 PRO A 26 7.344 10.924 13.731 1.00 0.00 H new ATOM 331 N VAL A 27 4.405 14.819 11.244 1.00 0.00 N ATOM 332 CA VAL A 27 4.269 16.279 10.995 1.00 0.00 C ATOM 333 C VAL A 27 2.945 16.764 11.579 1.00 0.00 C ATOM 334 O VAL A 27 1.893 16.559 11.008 1.00 0.00 O ATOM 335 CB VAL A 27 4.281 16.427 9.473 1.00 0.00 C ATOM 336 CG1 VAL A 27 4.250 17.911 9.106 1.00 0.00 C ATOM 337 CG2 VAL A 27 5.556 15.789 8.911 1.00 0.00 C ATOM 0 H VAL A 27 3.689 14.238 10.808 1.00 0.00 H new ATOM 0 HA VAL A 27 5.064 16.866 11.456 1.00 0.00 H new ATOM 0 HB VAL A 27 3.408 15.930 9.051 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.259 18.018 8.021 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.345 18.366 9.508 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.124 18.408 9.526 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.567 15.893 7.826 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.429 16.288 9.332 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.580 14.732 9.174 1.00 0.00 H new ATOM 347 N ASN A 28 2.985 17.389 12.724 1.00 0.00 N ATOM 348 CA ASN A 28 1.723 17.865 13.359 1.00 0.00 C ATOM 349 C ASN A 28 0.778 16.679 13.578 1.00 0.00 C ATOM 350 O ASN A 28 -0.429 16.818 13.549 1.00 0.00 O ATOM 351 CB ASN A 28 1.125 18.867 12.367 1.00 0.00 C ATOM 352 CG ASN A 28 -0.269 19.282 12.841 1.00 0.00 C ATOM 353 OD1 ASN A 28 -0.404 20.015 13.801 1.00 0.00 O ATOM 354 ND2 ASN A 28 -1.319 18.845 12.202 1.00 0.00 N ATOM 0 H ASN A 28 3.837 17.591 13.247 1.00 0.00 H new ATOM 0 HA ASN A 28 1.891 18.325 14.333 1.00 0.00 H new ATOM 0 HB2 ASN A 28 1.769 19.743 12.285 1.00 0.00 H new ATOM 0 HB3 ASN A 28 1.066 18.421 11.374 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -2.253 19.119 12.508 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -1.206 18.230 11.396 1.00 0.00 H new ATOM 361 N GLY A 29 1.325 15.512 13.801 1.00 0.00 N ATOM 362 CA GLY A 29 0.472 14.309 14.028 1.00 0.00 C ATOM 363 C GLY A 29 0.093 13.684 12.683 1.00 0.00 C ATOM 364 O GLY A 29 -0.988 13.161 12.515 1.00 0.00 O ATOM 0 H GLY A 29 2.330 15.341 13.836 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.007 13.582 14.640 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.428 14.587 14.577 1.00 0.00 H new ATOM 368 N PHE A 30 0.974 13.735 11.726 1.00 0.00 N ATOM 369 CA PHE A 30 0.659 13.143 10.393 1.00 0.00 C ATOM 370 C PHE A 30 1.925 12.666 9.698 1.00 0.00 C ATOM 371 O PHE A 30 2.999 13.192 9.905 1.00 0.00 O ATOM 372 CB PHE A 30 0.039 14.282 9.588 1.00 0.00 C ATOM 373 CG PHE A 30 -1.284 14.638 10.193 1.00 0.00 C ATOM 374 CD1 PHE A 30 -2.408 13.869 9.897 1.00 0.00 C ATOM 375 CD2 PHE A 30 -1.384 15.735 11.053 1.00 0.00 C ATOM 376 CE1 PHE A 30 -3.646 14.197 10.462 1.00 0.00 C ATOM 377 CE2 PHE A 30 -2.616 16.066 11.620 1.00 0.00 C ATOM 378 CZ PHE A 30 -3.749 15.297 11.325 1.00 0.00 C ATOM 0 H PHE A 30 1.898 14.160 11.806 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.003 12.282 10.488 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.700 15.149 9.590 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.090 13.982 8.548 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.324 13.021 9.233 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.509 16.326 11.279 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.519 13.604 10.234 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.695 16.913 12.285 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.703 15.552 11.763 1.00 0.00 H new ATOM 388 N LEU A 31 1.796 11.705 8.833 1.00 0.00 N ATOM 389 CA LEU A 31 2.988 11.237 8.078 1.00 0.00 C ATOM 390 C LEU A 31 2.688 11.328 6.588 1.00 0.00 C ATOM 391 O LEU A 31 1.730 10.766 6.101 1.00 0.00 O ATOM 392 CB LEU A 31 3.242 9.788 8.470 1.00 0.00 C ATOM 393 CG LEU A 31 4.003 9.729 9.797 1.00 0.00 C ATOM 394 CD1 LEU A 31 3.957 8.303 10.343 1.00 0.00 C ATOM 395 CD2 LEU A 31 5.462 10.134 9.569 1.00 0.00 C ATOM 0 H LEU A 31 0.923 11.225 8.616 1.00 0.00 H new ATOM 0 HA LEU A 31 3.864 11.845 8.303 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.295 9.256 8.561 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.815 9.287 7.690 1.00 0.00 H new ATOM 0 HG LEU A 31 3.542 10.412 10.510 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.498 8.258 11.288 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.920 8.008 10.504 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.420 7.624 9.627 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.003 10.092 10.514 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.922 9.450 8.856 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.500 11.149 9.174 1.00 0.00 H new ATOM 407 N SER A 32 3.492 12.046 5.873 1.00 0.00 N ATOM 408 CA SER A 32 3.257 12.208 4.411 1.00 0.00 C ATOM 409 C SER A 32 3.595 10.925 3.654 1.00 0.00 C ATOM 410 O SER A 32 4.567 10.255 3.939 1.00 0.00 O ATOM 411 CB SER A 32 4.187 13.342 3.985 1.00 0.00 C ATOM 412 OG SER A 32 4.390 14.222 5.082 1.00 0.00 O ATOM 0 H SER A 32 4.311 12.534 6.235 1.00 0.00 H new ATOM 0 HA SER A 32 2.212 12.426 4.192 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.141 12.937 3.647 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.755 13.885 3.144 1.00 0.00 H new ATOM 0 HG SER A 32 5.265 14.044 5.486 1.00 0.00 H new ATOM 418 N GLY A 33 2.794 10.588 2.683 1.00 0.00 N ATOM 419 CA GLY A 33 3.059 9.355 1.893 1.00 0.00 C ATOM 420 C GLY A 33 4.538 9.313 1.507 1.00 0.00 C ATOM 421 O GLY A 33 5.099 8.261 1.280 1.00 0.00 O ATOM 0 H GLY A 33 1.966 11.114 2.402 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.798 8.472 2.476 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.437 9.341 0.998 1.00 0.00 H new ATOM 425 N ASP A 34 5.174 10.451 1.434 1.00 0.00 N ATOM 426 CA ASP A 34 6.618 10.476 1.065 1.00 0.00 C ATOM 427 C ASP A 34 7.434 9.644 2.058 1.00 0.00 C ATOM 428 O ASP A 34 8.413 9.019 1.703 1.00 0.00 O ATOM 429 CB ASP A 34 7.020 11.946 1.140 1.00 0.00 C ATOM 430 CG ASP A 34 6.643 12.647 -0.167 1.00 0.00 C ATOM 431 OD1 ASP A 34 6.820 12.043 -1.211 1.00 0.00 O ATOM 432 OD2 ASP A 34 6.183 13.775 -0.100 1.00 0.00 O ATOM 0 H ASP A 34 4.756 11.364 1.614 1.00 0.00 H new ATOM 0 HA ASP A 34 6.798 10.054 0.076 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.520 12.428 1.980 1.00 0.00 H new ATOM 0 HB3 ASP A 34 8.092 12.032 1.315 1.00 0.00 H new ATOM 437 N LYS A 35 7.030 9.630 3.297 1.00 0.00 N ATOM 438 CA LYS A 35 7.770 8.838 4.321 1.00 0.00 C ATOM 439 C LYS A 35 7.051 7.521 4.569 1.00 0.00 C ATOM 440 O LYS A 35 7.645 6.523 4.923 1.00 0.00 O ATOM 441 CB LYS A 35 7.759 9.711 5.564 1.00 0.00 C ATOM 442 CG LYS A 35 6.383 9.689 6.217 1.00 0.00 C ATOM 443 CD LYS A 35 6.046 11.095 6.706 1.00 0.00 C ATOM 444 CE LYS A 35 7.210 11.653 7.528 1.00 0.00 C ATOM 445 NZ LYS A 35 6.862 13.083 7.766 1.00 0.00 N ATOM 0 H LYS A 35 6.216 10.135 3.647 1.00 0.00 H new ATOM 0 HA LYS A 35 8.786 8.588 4.014 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.510 9.357 6.271 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.027 10.734 5.300 1.00 0.00 H new ATOM 0 HG2 LYS A 35 5.633 9.348 5.504 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.373 8.987 7.051 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.844 11.747 5.856 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.140 11.072 7.312 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.325 11.113 8.468 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.153 11.560 6.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.074 13.332 8.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.420 13.687 7.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.849 13.229 7.582 1.00 0.00 H new ATOM 459 N VAL A 36 5.771 7.519 4.373 1.00 0.00 N ATOM 460 CA VAL A 36 4.984 6.273 4.577 1.00 0.00 C ATOM 461 C VAL A 36 5.115 5.376 3.347 1.00 0.00 C ATOM 462 O VAL A 36 5.384 4.197 3.449 1.00 0.00 O ATOM 463 CB VAL A 36 3.539 6.731 4.739 1.00 0.00 C ATOM 464 CG1 VAL A 36 2.622 5.507 4.801 1.00 0.00 C ATOM 465 CG2 VAL A 36 3.404 7.546 6.026 1.00 0.00 C ATOM 0 H VAL A 36 5.228 8.330 4.078 1.00 0.00 H new ATOM 0 HA VAL A 36 5.328 5.704 5.441 1.00 0.00 H new ATOM 0 HB VAL A 36 3.254 7.352 3.890 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.588 5.832 4.917 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.720 4.932 3.880 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.904 4.884 5.650 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.371 7.874 6.142 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.687 6.929 6.879 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.057 8.417 5.975 1.00 0.00 H new ATOM 475 N LYS A 37 4.927 5.934 2.181 1.00 0.00 N ATOM 476 CA LYS A 37 5.040 5.128 0.934 1.00 0.00 C ATOM 477 C LYS A 37 6.232 4.167 1.022 1.00 0.00 C ATOM 478 O LYS A 37 6.076 2.982 0.814 1.00 0.00 O ATOM 479 CB LYS A 37 5.239 6.149 -0.185 1.00 0.00 C ATOM 480 CG LYS A 37 5.597 5.429 -1.483 1.00 0.00 C ATOM 481 CD LYS A 37 4.955 6.161 -2.661 1.00 0.00 C ATOM 482 CE LYS A 37 3.734 5.379 -3.146 1.00 0.00 C ATOM 483 NZ LYS A 37 2.869 6.393 -3.814 1.00 0.00 N ATOM 0 H LYS A 37 4.699 6.918 2.040 1.00 0.00 H new ATOM 0 HA LYS A 37 4.159 4.510 0.762 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.330 6.734 -0.322 1.00 0.00 H new ATOM 0 HB3 LYS A 37 6.031 6.848 0.084 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.679 5.396 -1.607 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.248 4.397 -1.448 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.660 7.166 -2.360 1.00 0.00 H new ATOM 0 HD3 LYS A 37 5.676 6.269 -3.472 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.021 4.587 -3.838 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.214 4.903 -2.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.009 5.932 -4.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 2.606 7.130 -3.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 3.388 6.825 -4.605 1.00 0.00 H new ATOM 497 N PRO A 38 7.386 4.696 1.349 1.00 0.00 N ATOM 498 CA PRO A 38 8.591 3.839 1.480 1.00 0.00 C ATOM 499 C PRO A 38 8.400 2.895 2.666 1.00 0.00 C ATOM 500 O PRO A 38 8.849 1.765 2.666 1.00 0.00 O ATOM 501 CB PRO A 38 9.717 4.838 1.734 1.00 0.00 C ATOM 502 CG PRO A 38 9.034 6.040 2.298 1.00 0.00 C ATOM 503 CD PRO A 38 7.688 6.107 1.632 1.00 0.00 C ATOM 0 HA PRO A 38 8.794 3.214 0.610 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.453 4.437 2.431 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.248 5.079 0.813 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.930 5.957 3.380 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.611 6.944 2.102 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.938 6.557 2.283 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.718 6.704 0.720 1.00 0.00 H new ATOM 511 N VAL A 39 7.712 3.362 3.666 1.00 0.00 N ATOM 512 CA VAL A 39 7.441 2.523 4.864 1.00 0.00 C ATOM 513 C VAL A 39 6.414 1.452 4.505 1.00 0.00 C ATOM 514 O VAL A 39 6.203 0.509 5.236 1.00 0.00 O ATOM 515 CB VAL A 39 6.877 3.506 5.892 1.00 0.00 C ATOM 516 CG1 VAL A 39 5.977 2.779 6.893 1.00 0.00 C ATOM 517 CG2 VAL A 39 8.026 4.181 6.640 1.00 0.00 C ATOM 0 H VAL A 39 7.320 4.303 3.705 1.00 0.00 H new ATOM 0 HA VAL A 39 8.322 2.005 5.242 1.00 0.00 H new ATOM 0 HB VAL A 39 6.286 4.257 5.368 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.585 3.494 7.616 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.149 2.308 6.363 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.555 2.016 7.414 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.622 4.881 7.372 1.00 0.00 H new ATOM 0 HG22 VAL A 39 8.621 3.425 7.151 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.655 4.720 5.931 1.00 0.00 H new ATOM 527 N LEU A 40 5.787 1.588 3.372 1.00 0.00 N ATOM 528 CA LEU A 40 4.796 0.570 2.939 1.00 0.00 C ATOM 529 C LEU A 40 5.484 -0.389 1.968 1.00 0.00 C ATOM 530 O LEU A 40 5.015 -1.479 1.707 1.00 0.00 O ATOM 531 CB LEU A 40 3.690 1.358 2.237 1.00 0.00 C ATOM 532 CG LEU A 40 2.952 2.221 3.260 1.00 0.00 C ATOM 533 CD1 LEU A 40 1.887 3.058 2.548 1.00 0.00 C ATOM 534 CD2 LEU A 40 2.281 1.324 4.300 1.00 0.00 C ATOM 0 H LEU A 40 5.920 2.365 2.725 1.00 0.00 H new ATOM 0 HA LEU A 40 4.392 -0.018 3.763 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.117 1.986 1.455 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.993 0.674 1.752 1.00 0.00 H new ATOM 0 HG LEU A 40 3.664 2.881 3.756 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.360 3.674 3.277 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.364 3.700 1.808 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.177 2.397 2.051 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.755 1.942 5.028 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.570 0.662 3.805 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.038 0.728 4.809 1.00 0.00 H new ATOM 546 N LEU A 41 6.612 0.015 1.442 1.00 0.00 N ATOM 547 CA LEU A 41 7.358 -0.858 0.499 1.00 0.00 C ATOM 548 C LEU A 41 8.120 -1.909 1.285 1.00 0.00 C ATOM 549 O LEU A 41 8.239 -3.046 0.875 1.00 0.00 O ATOM 550 CB LEU A 41 8.329 0.070 -0.220 1.00 0.00 C ATOM 551 CG LEU A 41 7.546 1.043 -1.089 1.00 0.00 C ATOM 552 CD1 LEU A 41 8.495 2.114 -1.618 1.00 0.00 C ATOM 553 CD2 LEU A 41 6.923 0.273 -2.253 1.00 0.00 C ATOM 0 H LEU A 41 7.047 0.918 1.629 1.00 0.00 H new ATOM 0 HA LEU A 41 6.703 -1.376 -0.201 1.00 0.00 H new ATOM 0 HB2 LEU A 41 8.932 0.617 0.505 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.018 -0.511 -0.834 1.00 0.00 H new ATOM 0 HG LEU A 41 6.757 1.520 -0.508 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.941 2.815 -2.242 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.943 2.649 -0.781 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.280 1.644 -2.210 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.359 0.960 -2.883 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.711 -0.196 -2.842 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.254 -0.495 -1.865 1.00 0.00 H new ATOM 565 N ASN A 42 8.627 -1.541 2.427 1.00 0.00 N ATOM 566 CA ASN A 42 9.365 -2.530 3.248 1.00 0.00 C ATOM 567 C ASN A 42 8.563 -3.837 3.322 1.00 0.00 C ATOM 568 O ASN A 42 9.099 -4.902 3.561 1.00 0.00 O ATOM 569 CB ASN A 42 9.468 -1.887 4.633 1.00 0.00 C ATOM 570 CG ASN A 42 8.118 -2.005 5.348 1.00 0.00 C ATOM 571 OD1 ASN A 42 8.053 -2.447 6.477 1.00 0.00 O ATOM 572 ND2 ASN A 42 7.029 -1.626 4.731 1.00 0.00 N ATOM 0 H ASN A 42 8.561 -0.603 2.823 1.00 0.00 H new ATOM 0 HA ASN A 42 10.345 -2.773 2.837 1.00 0.00 H new ATOM 0 HB2 ASN A 42 10.246 -2.378 5.217 1.00 0.00 H new ATOM 0 HB3 ASN A 42 9.753 -0.839 4.540 1.00 0.00 H new ATOM 0 HD21 ASN A 42 6.125 -1.702 5.198 1.00 0.00 H new ATOM 0 HD22 ASN A 42 7.083 -1.255 3.783 1.00 0.00 H new ATOM 579 N SER A 43 7.270 -3.748 3.128 1.00 0.00 N ATOM 580 CA SER A 43 6.401 -4.956 3.192 1.00 0.00 C ATOM 581 C SER A 43 6.584 -5.834 1.948 1.00 0.00 C ATOM 582 O SER A 43 5.873 -6.796 1.753 1.00 0.00 O ATOM 583 CB SER A 43 4.984 -4.392 3.237 1.00 0.00 C ATOM 584 OG SER A 43 5.016 -3.109 3.850 1.00 0.00 O ATOM 0 H SER A 43 6.777 -2.878 2.926 1.00 0.00 H new ATOM 0 HA SER A 43 6.636 -5.588 4.049 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.576 -4.318 2.229 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.330 -5.061 3.797 1.00 0.00 H new ATOM 0 HG SER A 43 4.705 -2.434 3.212 1.00 0.00 H new ATOM 590 N LYS A 44 7.516 -5.511 1.097 1.00 0.00 N ATOM 591 CA LYS A 44 7.714 -6.337 -0.128 1.00 0.00 C ATOM 592 C LYS A 44 6.407 -6.418 -0.924 1.00 0.00 C ATOM 593 O LYS A 44 6.254 -7.247 -1.799 1.00 0.00 O ATOM 594 CB LYS A 44 8.113 -7.724 0.381 1.00 0.00 C ATOM 595 CG LYS A 44 9.073 -8.373 -0.616 1.00 0.00 C ATOM 596 CD LYS A 44 10.031 -9.304 0.128 1.00 0.00 C ATOM 597 CE LYS A 44 11.094 -8.476 0.851 1.00 0.00 C ATOM 598 NZ LYS A 44 11.371 -9.229 2.106 1.00 0.00 N ATOM 0 H LYS A 44 8.147 -4.715 1.194 1.00 0.00 H new ATOM 0 HA LYS A 44 8.470 -5.915 -0.790 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.587 -7.642 1.359 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.227 -8.346 0.507 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.513 -8.934 -1.364 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.635 -7.605 -1.148 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.479 -9.912 0.845 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.505 -9.990 -0.574 1.00 0.00 H new ATOM 0 HE2 LYS A 44 11.994 -8.371 0.245 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.734 -7.469 1.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 12.092 -8.726 2.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 10.497 -9.307 2.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 11.717 -10.181 1.870 1.00 0.00 H new ATOM 612 N LEU A 45 5.464 -5.563 -0.632 1.00 0.00 N ATOM 613 CA LEU A 45 4.173 -5.594 -1.374 1.00 0.00 C ATOM 614 C LEU A 45 4.226 -4.618 -2.549 1.00 0.00 C ATOM 615 O LEU A 45 5.019 -3.698 -2.556 1.00 0.00 O ATOM 616 CB LEU A 45 3.117 -5.153 -0.359 1.00 0.00 C ATOM 617 CG LEU A 45 2.630 -6.366 0.432 1.00 0.00 C ATOM 618 CD1 LEU A 45 1.691 -5.906 1.549 1.00 0.00 C ATOM 619 CD2 LEU A 45 1.883 -7.323 -0.505 1.00 0.00 C ATOM 0 H LEU A 45 5.533 -4.845 0.089 1.00 0.00 H new ATOM 0 HA LEU A 45 3.953 -6.580 -1.783 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.537 -4.409 0.318 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.279 -4.680 -0.872 1.00 0.00 H new ATOM 0 HG LEU A 45 3.486 -6.881 0.868 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.344 -6.772 2.113 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.224 -5.229 2.216 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.835 -5.389 1.115 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.536 -8.188 0.060 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.028 -6.809 -0.944 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.554 -7.653 -1.298 1.00 0.00 H new ATOM 631 N PRO A 46 3.371 -4.850 -3.505 1.00 0.00 N ATOM 632 CA PRO A 46 3.318 -3.975 -4.693 1.00 0.00 C ATOM 633 C PRO A 46 2.691 -2.625 -4.331 1.00 0.00 C ATOM 634 O PRO A 46 1.972 -2.502 -3.360 1.00 0.00 O ATOM 635 CB PRO A 46 2.451 -4.755 -5.675 1.00 0.00 C ATOM 636 CG PRO A 46 1.614 -5.662 -4.833 1.00 0.00 C ATOM 637 CD PRO A 46 2.386 -5.934 -3.567 1.00 0.00 C ATOM 0 HA PRO A 46 4.299 -3.743 -5.106 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.829 -4.085 -6.268 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.064 -5.323 -6.375 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.654 -5.199 -4.606 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.402 -6.591 -5.362 1.00 0.00 H new ATOM 0 HD2 PRO A 46 1.733 -5.929 -2.694 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.870 -6.910 -3.598 1.00 0.00 H new ATOM 645 N VAL A 47 2.971 -1.611 -5.101 1.00 0.00 N ATOM 646 CA VAL A 47 2.409 -0.263 -4.807 1.00 0.00 C ATOM 647 C VAL A 47 0.879 -0.300 -4.820 1.00 0.00 C ATOM 648 O VAL A 47 0.226 0.631 -4.393 1.00 0.00 O ATOM 649 CB VAL A 47 2.940 0.637 -5.925 1.00 0.00 C ATOM 650 CG1 VAL A 47 2.103 1.915 -5.999 1.00 0.00 C ATOM 651 CG2 VAL A 47 4.397 1.000 -5.630 1.00 0.00 C ATOM 0 H VAL A 47 3.569 -1.658 -5.926 1.00 0.00 H new ATOM 0 HA VAL A 47 2.699 0.096 -3.820 1.00 0.00 H new ATOM 0 HB VAL A 47 2.877 0.110 -6.877 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.484 2.554 -6.796 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.064 1.658 -6.205 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.164 2.445 -5.049 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.780 1.641 -6.424 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.455 1.527 -4.678 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.995 0.090 -5.578 1.00 0.00 H new ATOM 661 N ASP A 48 0.295 -1.371 -5.287 1.00 0.00 N ATOM 662 CA ASP A 48 -1.185 -1.448 -5.296 1.00 0.00 C ATOM 663 C ASP A 48 -1.659 -1.625 -3.864 1.00 0.00 C ATOM 664 O ASP A 48 -2.664 -1.081 -3.451 1.00 0.00 O ATOM 665 CB ASP A 48 -1.522 -2.672 -6.129 1.00 0.00 C ATOM 666 CG ASP A 48 -2.253 -2.240 -7.402 1.00 0.00 C ATOM 667 OD1 ASP A 48 -1.851 -1.246 -7.984 1.00 0.00 O ATOM 668 OD2 ASP A 48 -3.202 -2.910 -7.772 1.00 0.00 O ATOM 0 H ASP A 48 0.779 -2.188 -5.659 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.661 -0.557 -5.706 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.611 -3.212 -6.386 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.146 -3.356 -5.553 1.00 0.00 H new ATOM 673 N ILE A 49 -0.914 -2.366 -3.094 1.00 0.00 N ATOM 674 CA ILE A 49 -1.292 -2.552 -1.674 1.00 0.00 C ATOM 675 C ILE A 49 -1.106 -1.220 -0.968 1.00 0.00 C ATOM 676 O ILE A 49 -1.944 -0.760 -0.219 1.00 0.00 O ATOM 677 CB ILE A 49 -0.312 -3.581 -1.110 1.00 0.00 C ATOM 678 CG1 ILE A 49 -0.256 -4.808 -2.016 1.00 0.00 C ATOM 679 CG2 ILE A 49 -0.766 -4.002 0.285 1.00 0.00 C ATOM 680 CD1 ILE A 49 -1.663 -5.368 -2.209 1.00 0.00 C ATOM 0 H ILE A 49 -0.064 -2.847 -3.388 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.322 -2.885 -1.548 1.00 0.00 H new ATOM 0 HB ILE A 49 0.680 -3.133 -1.057 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.175 -4.541 -2.981 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.391 -5.567 -1.577 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.068 -4.736 0.689 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.793 -3.129 0.938 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.762 -4.442 0.226 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.620 -6.244 -2.856 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.078 -5.651 -1.242 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.297 -4.609 -2.667 1.00 0.00 H new ATOM 692 N LEU A 50 0.003 -0.594 -1.235 1.00 0.00 N ATOM 693 CA LEU A 50 0.292 0.726 -0.626 1.00 0.00 C ATOM 694 C LEU A 50 -0.716 1.745 -1.151 1.00 0.00 C ATOM 695 O LEU A 50 -0.946 2.777 -0.550 1.00 0.00 O ATOM 696 CB LEU A 50 1.714 1.077 -1.092 1.00 0.00 C ATOM 697 CG LEU A 50 2.625 -0.156 -1.011 1.00 0.00 C ATOM 698 CD1 LEU A 50 4.083 0.295 -0.936 1.00 0.00 C ATOM 699 CD2 LEU A 50 2.287 -0.984 0.233 1.00 0.00 C ATOM 0 H LEU A 50 0.729 -0.947 -1.858 1.00 0.00 H new ATOM 0 HA LEU A 50 0.220 0.721 0.462 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.686 1.449 -2.116 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.119 1.877 -0.473 1.00 0.00 H new ATOM 0 HG LEU A 50 2.471 -0.769 -1.899 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.732 -0.579 -0.878 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.331 0.873 -1.826 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.228 0.913 -0.050 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.940 -1.855 0.279 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.431 -0.375 1.126 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.249 -1.311 0.181 1.00 0.00 H new ATOM 711 N GLY A 51 -1.333 1.454 -2.266 1.00 0.00 N ATOM 712 CA GLY A 51 -2.337 2.398 -2.821 1.00 0.00 C ATOM 713 C GLY A 51 -3.683 2.115 -2.160 1.00 0.00 C ATOM 714 O GLY A 51 -4.501 2.997 -1.980 1.00 0.00 O ATOM 0 H GLY A 51 -1.183 0.606 -2.812 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.032 3.428 -2.635 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.413 2.278 -3.902 1.00 0.00 H new ATOM 718 N ARG A 52 -3.911 0.887 -1.782 1.00 0.00 N ATOM 719 CA ARG A 52 -5.192 0.540 -1.122 1.00 0.00 C ATOM 720 C ARG A 52 -5.029 0.634 0.388 1.00 0.00 C ATOM 721 O ARG A 52 -5.753 1.343 1.058 1.00 0.00 O ATOM 722 CB ARG A 52 -5.486 -0.897 -1.542 1.00 0.00 C ATOM 723 CG ARG A 52 -6.996 -1.086 -1.654 1.00 0.00 C ATOM 724 CD ARG A 52 -7.341 -2.565 -1.496 1.00 0.00 C ATOM 725 NE ARG A 52 -6.536 -3.260 -2.538 1.00 0.00 N ATOM 726 CZ ARG A 52 -6.986 -3.346 -3.758 1.00 0.00 C ATOM 727 NH1 ARG A 52 -8.025 -4.090 -4.018 1.00 0.00 N ATOM 728 NH2 ARG A 52 -6.396 -2.688 -4.719 1.00 0.00 N ATOM 0 H ARG A 52 -3.261 0.110 -1.904 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.002 1.212 -1.405 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -5.008 -1.115 -2.497 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.073 -1.594 -0.813 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.504 -0.500 -0.888 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.348 -0.721 -2.619 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.090 -2.925 -0.498 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.407 -2.739 -1.639 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.633 -3.669 -2.297 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -8.485 -4.604 -3.267 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.378 -4.158 -4.973 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -5.583 -2.107 -4.515 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -6.748 -2.755 -5.674 1.00 0.00 H new ATOM 742 N VAL A 53 -4.077 -0.065 0.933 1.00 0.00 N ATOM 743 CA VAL A 53 -3.874 0.007 2.400 1.00 0.00 C ATOM 744 C VAL A 53 -3.819 1.474 2.826 1.00 0.00 C ATOM 745 O VAL A 53 -4.346 1.850 3.853 1.00 0.00 O ATOM 746 CB VAL A 53 -2.547 -0.706 2.665 1.00 0.00 C ATOM 747 CG1 VAL A 53 -2.072 -0.397 4.086 1.00 0.00 C ATOM 748 CG2 VAL A 53 -2.750 -2.217 2.516 1.00 0.00 C ATOM 0 H VAL A 53 -3.436 -0.678 0.430 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.680 -0.461 2.965 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.799 -0.361 1.951 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.126 -0.906 4.272 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.933 0.678 4.197 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.817 -0.743 4.802 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.807 -2.731 2.704 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.497 -2.556 3.233 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.090 -2.440 1.505 1.00 0.00 H new ATOM 758 N TRP A 54 -3.204 2.312 2.034 1.00 0.00 N ATOM 759 CA TRP A 54 -3.146 3.755 2.399 1.00 0.00 C ATOM 760 C TRP A 54 -4.558 4.336 2.386 1.00 0.00 C ATOM 761 O TRP A 54 -5.031 4.873 3.368 1.00 0.00 O ATOM 762 CB TRP A 54 -2.294 4.428 1.323 1.00 0.00 C ATOM 763 CG TRP A 54 -2.433 5.910 1.459 1.00 0.00 C ATOM 764 CD1 TRP A 54 -3.502 6.627 1.041 1.00 0.00 C ATOM 765 CD2 TRP A 54 -1.507 6.864 2.055 1.00 0.00 C ATOM 766 NE1 TRP A 54 -3.289 7.961 1.340 1.00 0.00 N ATOM 767 CE2 TRP A 54 -2.072 8.158 1.964 1.00 0.00 C ATOM 768 CE3 TRP A 54 -0.242 6.733 2.657 1.00 0.00 C ATOM 769 CZ2 TRP A 54 -1.406 9.283 2.455 1.00 0.00 C ATOM 770 CZ3 TRP A 54 0.430 7.862 3.153 1.00 0.00 C ATOM 771 CH2 TRP A 54 -0.149 9.134 3.051 1.00 0.00 C ATOM 0 H TRP A 54 -2.744 2.062 1.159 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.724 3.909 3.392 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -1.250 4.135 1.430 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -2.615 4.108 0.332 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.378 6.224 0.554 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -3.950 8.708 1.126 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.215 5.758 2.738 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.858 10.261 2.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.399 7.749 3.616 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.374 9.998 3.432 1.00 0.00 H new ATOM 782 N GLU A 55 -5.235 4.225 1.279 1.00 0.00 N ATOM 783 CA GLU A 55 -6.619 4.764 1.200 1.00 0.00 C ATOM 784 C GLU A 55 -7.402 4.380 2.457 1.00 0.00 C ATOM 785 O GLU A 55 -7.935 5.222 3.150 1.00 0.00 O ATOM 786 CB GLU A 55 -7.228 4.114 -0.044 1.00 0.00 C ATOM 787 CG GLU A 55 -6.593 4.717 -1.299 1.00 0.00 C ATOM 788 CD GLU A 55 -7.027 6.177 -1.443 1.00 0.00 C ATOM 789 OE1 GLU A 55 -8.222 6.423 -1.426 1.00 0.00 O ATOM 790 OE2 GLU A 55 -6.157 7.024 -1.568 1.00 0.00 O ATOM 0 H GLU A 55 -4.890 3.785 0.426 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.641 5.852 1.135 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.063 3.037 -0.022 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.307 4.271 -0.058 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.507 4.655 -1.235 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.894 4.149 -2.180 1.00 0.00 H new ATOM 797 N LEU A 56 -7.469 3.117 2.762 1.00 0.00 N ATOM 798 CA LEU A 56 -8.215 2.697 3.982 1.00 0.00 C ATOM 799 C LEU A 56 -7.445 3.121 5.236 1.00 0.00 C ATOM 800 O LEU A 56 -7.949 3.062 6.341 1.00 0.00 O ATOM 801 CB LEU A 56 -8.316 1.173 3.891 1.00 0.00 C ATOM 802 CG LEU A 56 -9.137 0.787 2.658 1.00 0.00 C ATOM 803 CD1 LEU A 56 -8.546 -0.476 2.035 1.00 0.00 C ATOM 804 CD2 LEU A 56 -10.594 0.524 3.065 1.00 0.00 C ATOM 0 H LEU A 56 -7.044 2.361 2.226 1.00 0.00 H new ATOM 0 HA LEU A 56 -9.201 3.157 4.044 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.320 0.735 3.829 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.784 0.775 4.791 1.00 0.00 H new ATOM 0 HG LEU A 56 -9.109 1.602 1.934 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -9.128 -0.755 1.156 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.513 -0.288 1.742 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.575 -1.288 2.762 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -11.174 0.250 2.184 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.628 -0.290 3.790 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -11.016 1.425 3.511 1.00 0.00 H new ATOM 816 N SER A 57 -6.226 3.558 5.067 1.00 0.00 N ATOM 817 CA SER A 57 -5.413 3.999 6.238 1.00 0.00 C ATOM 818 C SER A 57 -5.507 5.516 6.402 1.00 0.00 C ATOM 819 O SER A 57 -5.558 6.031 7.502 1.00 0.00 O ATOM 820 CB SER A 57 -3.985 3.587 5.901 1.00 0.00 C ATOM 821 OG SER A 57 -3.848 2.188 6.094 1.00 0.00 O ATOM 0 H SER A 57 -5.756 3.629 4.164 1.00 0.00 H new ATOM 0 HA SER A 57 -5.757 3.556 7.172 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.752 3.849 4.869 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.279 4.125 6.534 1.00 0.00 H new ATOM 0 HG SER A 57 -3.809 1.740 5.223 1.00 0.00 H new ATOM 827 N ASP A 58 -5.538 6.234 5.315 1.00 0.00 N ATOM 828 CA ASP A 58 -5.636 7.717 5.404 1.00 0.00 C ATOM 829 C ASP A 58 -7.075 8.108 5.722 1.00 0.00 C ATOM 830 O ASP A 58 -7.787 8.633 4.891 1.00 0.00 O ATOM 831 CB ASP A 58 -5.230 8.228 4.024 1.00 0.00 C ATOM 832 CG ASP A 58 -4.671 9.646 4.150 1.00 0.00 C ATOM 833 OD1 ASP A 58 -4.868 10.249 5.191 1.00 0.00 O ATOM 834 OD2 ASP A 58 -4.056 10.106 3.201 1.00 0.00 O ATOM 0 H ASP A 58 -5.500 5.858 4.368 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.002 8.136 6.186 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.481 7.568 3.586 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.090 8.223 3.355 1.00 0.00 H new ATOM 839 N ILE A 59 -7.509 7.835 6.919 1.00 0.00 N ATOM 840 CA ILE A 59 -8.910 8.166 7.308 1.00 0.00 C ATOM 841 C ILE A 59 -9.326 9.524 6.737 1.00 0.00 C ATOM 842 O ILE A 59 -10.481 9.759 6.440 1.00 0.00 O ATOM 843 CB ILE A 59 -8.895 8.232 8.834 1.00 0.00 C ATOM 844 CG1 ILE A 59 -8.527 6.863 9.422 1.00 0.00 C ATOM 845 CG2 ILE A 59 -10.280 8.643 9.328 1.00 0.00 C ATOM 846 CD1 ILE A 59 -9.570 5.824 9.011 1.00 0.00 C ATOM 0 H ILE A 59 -6.951 7.394 7.650 1.00 0.00 H new ATOM 0 HA ILE A 59 -9.616 7.428 6.928 1.00 0.00 H new ATOM 0 HB ILE A 59 -8.152 8.963 9.155 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.541 6.560 9.071 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.473 6.927 10.509 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -10.278 8.693 10.417 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -10.536 9.621 8.921 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -11.016 7.909 9.000 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -9.303 4.854 9.431 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -10.549 6.124 9.384 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -9.603 5.751 7.924 1.00 0.00 H new ATOM 858 N ASP A 60 -8.395 10.425 6.604 1.00 0.00 N ATOM 859 CA ASP A 60 -8.726 11.780 6.080 1.00 0.00 C ATOM 860 C ASP A 60 -8.387 11.879 4.583 1.00 0.00 C ATOM 861 O ASP A 60 -8.942 12.691 3.869 1.00 0.00 O ATOM 862 CB ASP A 60 -7.870 12.718 6.942 1.00 0.00 C ATOM 863 CG ASP A 60 -7.433 13.948 6.150 1.00 0.00 C ATOM 864 OD1 ASP A 60 -8.183 14.375 5.289 1.00 0.00 O ATOM 865 OD2 ASP A 60 -6.352 14.443 6.423 1.00 0.00 O ATOM 0 H ASP A 60 -7.412 10.281 6.837 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.786 12.028 6.144 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.437 13.029 7.819 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -6.991 12.184 7.304 1.00 0.00 H new ATOM 870 N HIS A 61 -7.490 11.060 4.105 1.00 0.00 N ATOM 871 CA HIS A 61 -7.130 11.105 2.655 1.00 0.00 C ATOM 872 C HIS A 61 -6.642 12.499 2.267 1.00 0.00 C ATOM 873 O HIS A 61 -7.087 13.074 1.296 1.00 0.00 O ATOM 874 CB HIS A 61 -8.422 10.778 1.904 1.00 0.00 C ATOM 875 CG HIS A 61 -8.834 9.359 2.178 1.00 0.00 C ATOM 876 ND1 HIS A 61 -8.408 8.301 1.392 1.00 0.00 N ATOM 877 CD2 HIS A 61 -9.646 8.808 3.138 1.00 0.00 C ATOM 878 CE1 HIS A 61 -8.960 7.180 1.887 1.00 0.00 C ATOM 879 NE2 HIS A 61 -9.724 7.432 2.951 1.00 0.00 N ATOM 0 H HIS A 61 -6.990 10.361 4.654 1.00 0.00 H new ATOM 0 HA HIS A 61 -6.328 10.405 2.419 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -9.214 11.461 2.212 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -8.276 10.922 0.833 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -10.148 9.359 3.920 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -8.804 6.195 1.473 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -10.252 6.760 3.508 1.00 0.00 H new ATOM 887 N ASP A 62 -5.729 13.049 3.012 1.00 0.00 N ATOM 888 CA ASP A 62 -5.222 14.405 2.672 1.00 0.00 C ATOM 889 C ASP A 62 -3.764 14.327 2.215 1.00 0.00 C ATOM 890 O ASP A 62 -3.147 15.326 1.901 1.00 0.00 O ATOM 891 CB ASP A 62 -5.347 15.201 3.967 1.00 0.00 C ATOM 892 CG ASP A 62 -4.218 14.813 4.925 1.00 0.00 C ATOM 893 OD1 ASP A 62 -3.887 13.640 4.976 1.00 0.00 O ATOM 894 OD2 ASP A 62 -3.702 15.698 5.588 1.00 0.00 O ATOM 0 H ASP A 62 -5.312 12.621 3.839 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.777 14.867 1.856 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.304 16.269 3.754 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.314 15.007 4.432 1.00 0.00 H new ATOM 899 N GLY A 63 -3.211 13.149 2.171 1.00 0.00 N ATOM 900 CA GLY A 63 -1.796 13.011 1.731 1.00 0.00 C ATOM 901 C GLY A 63 -0.928 12.563 2.907 1.00 0.00 C ATOM 902 O GLY A 63 0.271 12.425 2.782 1.00 0.00 O ATOM 0 H GLY A 63 -3.677 12.276 2.420 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.727 12.286 0.920 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.433 13.962 1.341 1.00 0.00 H new ATOM 906 N MET A 64 -1.517 12.328 4.050 1.00 0.00 N ATOM 907 CA MET A 64 -0.697 11.884 5.217 1.00 0.00 C ATOM 908 C MET A 64 -1.515 10.974 6.135 1.00 0.00 C ATOM 909 O MET A 64 -2.729 10.975 6.112 1.00 0.00 O ATOM 910 CB MET A 64 -0.294 13.156 5.976 1.00 0.00 C ATOM 911 CG MET A 64 -0.121 14.329 5.013 1.00 0.00 C ATOM 912 SD MET A 64 0.733 15.682 5.858 1.00 0.00 S ATOM 913 CE MET A 64 2.188 14.738 6.374 1.00 0.00 C ATOM 0 H MET A 64 -2.517 12.422 4.226 1.00 0.00 H new ATOM 0 HA MET A 64 0.175 11.320 4.884 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.054 13.398 6.719 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.636 12.983 6.517 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.449 14.015 4.139 1.00 0.00 H new ATOM 0 HG3 MET A 64 -1.094 14.666 4.655 1.00 0.00 H new ATOM 0 HE1 MET A 64 3.066 15.384 6.358 1.00 0.00 H new ATOM 0 HE2 MET A 64 2.036 14.358 7.384 1.00 0.00 H new ATOM 0 HE3 MET A 64 2.340 13.902 5.691 1.00 0.00 H new ATOM 923 N LEU A 65 -0.848 10.203 6.950 1.00 0.00 N ATOM 924 CA LEU A 65 -1.571 9.294 7.884 1.00 0.00 C ATOM 925 C LEU A 65 -1.376 9.765 9.326 1.00 0.00 C ATOM 926 O LEU A 65 -0.278 9.750 9.845 1.00 0.00 O ATOM 927 CB LEU A 65 -0.914 7.925 7.701 1.00 0.00 C ATOM 928 CG LEU A 65 -1.336 7.308 6.367 1.00 0.00 C ATOM 929 CD1 LEU A 65 -0.498 6.054 6.110 1.00 0.00 C ATOM 930 CD2 LEU A 65 -2.818 6.927 6.426 1.00 0.00 C ATOM 0 H LEU A 65 0.170 10.164 7.009 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.642 9.271 7.682 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.171 8.027 7.735 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.198 7.265 8.521 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.180 8.027 5.563 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.793 5.608 5.160 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.558 6.323 6.072 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.661 5.336 6.914 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.119 6.487 5.475 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.976 6.204 7.226 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.415 7.818 6.619 1.00 0.00 H new ATOM 942 N ASP A 66 -2.423 10.176 9.986 1.00 0.00 N ATOM 943 CA ASP A 66 -2.260 10.628 11.395 1.00 0.00 C ATOM 944 C ASP A 66 -1.925 9.432 12.285 1.00 0.00 C ATOM 945 O ASP A 66 -2.094 8.291 11.902 1.00 0.00 O ATOM 946 CB ASP A 66 -3.605 11.223 11.798 1.00 0.00 C ATOM 947 CG ASP A 66 -3.395 12.265 12.898 1.00 0.00 C ATOM 948 OD1 ASP A 66 -2.565 12.028 13.760 1.00 0.00 O ATOM 949 OD2 ASP A 66 -4.076 13.277 12.867 1.00 0.00 O ATOM 0 H ASP A 66 -3.373 10.218 9.616 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.454 11.355 11.499 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.084 11.683 10.934 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.271 10.436 12.151 1.00 0.00 H new ATOM 954 N ARG A 67 -1.446 9.692 13.465 1.00 0.00 N ATOM 955 CA ARG A 67 -1.085 8.584 14.400 1.00 0.00 C ATOM 956 C ARG A 67 -2.081 7.422 14.306 1.00 0.00 C ATOM 957 O ARG A 67 -1.706 6.267 14.315 1.00 0.00 O ATOM 958 CB ARG A 67 -1.152 9.220 15.787 1.00 0.00 C ATOM 959 CG ARG A 67 -2.607 9.551 16.120 1.00 0.00 C ATOM 960 CD ARG A 67 -2.674 10.332 17.434 1.00 0.00 C ATOM 961 NE ARG A 67 -3.667 9.591 18.260 1.00 0.00 N ATOM 962 CZ ARG A 67 -3.882 9.942 19.498 1.00 0.00 C ATOM 963 NH1 ARG A 67 -3.774 11.196 19.850 1.00 0.00 N ATOM 964 NH2 ARG A 67 -4.206 9.041 20.383 1.00 0.00 N ATOM 0 H ARG A 67 -1.286 10.631 13.829 1.00 0.00 H new ATOM 0 HA ARG A 67 -0.106 8.165 14.169 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.742 8.539 16.533 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.545 10.125 15.815 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -3.049 10.138 15.315 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -3.189 8.633 16.202 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -1.701 10.370 17.923 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -2.987 11.363 17.267 1.00 0.00 H new ATOM 0 HE ARG A 67 -4.180 8.807 17.857 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.522 11.900 19.157 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -3.942 11.470 20.818 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -4.291 8.063 20.107 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -4.374 9.314 21.351 1.00 0.00 H new ATOM 978 N ASP A 68 -3.346 7.720 14.229 1.00 0.00 N ATOM 979 CA ASP A 68 -4.370 6.635 14.153 1.00 0.00 C ATOM 980 C ASP A 68 -4.559 6.163 12.709 1.00 0.00 C ATOM 981 O ASP A 68 -4.825 5.005 12.456 1.00 0.00 O ATOM 982 CB ASP A 68 -5.654 7.274 14.682 1.00 0.00 C ATOM 983 CG ASP A 68 -5.957 6.728 16.079 1.00 0.00 C ATOM 984 OD1 ASP A 68 -5.053 6.722 16.898 1.00 0.00 O ATOM 985 OD2 ASP A 68 -7.086 6.325 16.304 1.00 0.00 O ATOM 0 H ASP A 68 -3.719 8.669 14.215 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.078 5.756 14.727 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.545 8.358 14.719 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.484 7.060 14.008 1.00 0.00 H new ATOM 990 N GLU A 69 -4.420 7.045 11.761 1.00 0.00 N ATOM 991 CA GLU A 69 -4.590 6.633 10.336 1.00 0.00 C ATOM 992 C GLU A 69 -3.426 5.740 9.926 1.00 0.00 C ATOM 993 O GLU A 69 -3.599 4.731 9.272 1.00 0.00 O ATOM 994 CB GLU A 69 -4.571 7.932 9.534 1.00 0.00 C ATOM 995 CG GLU A 69 -5.558 8.923 10.144 1.00 0.00 C ATOM 996 CD GLU A 69 -5.761 10.099 9.183 1.00 0.00 C ATOM 997 OE1 GLU A 69 -6.015 9.848 8.017 1.00 0.00 O ATOM 998 OE2 GLU A 69 -5.656 11.229 9.629 1.00 0.00 O ATOM 0 H GLU A 69 -4.197 8.030 11.907 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.511 6.074 10.171 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.567 8.356 9.533 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.834 7.734 8.495 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.511 8.430 10.339 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.183 9.283 11.102 1.00 0.00 H new ATOM 1005 N PHE A 70 -2.239 6.102 10.319 1.00 0.00 N ATOM 1006 CA PHE A 70 -1.058 5.274 9.972 1.00 0.00 C ATOM 1007 C PHE A 70 -1.187 3.909 10.645 1.00 0.00 C ATOM 1008 O PHE A 70 -0.703 2.914 10.150 1.00 0.00 O ATOM 1009 CB PHE A 70 0.138 6.046 10.528 1.00 0.00 C ATOM 1010 CG PHE A 70 1.417 5.373 10.094 1.00 0.00 C ATOM 1011 CD1 PHE A 70 1.949 4.329 10.856 1.00 0.00 C ATOM 1012 CD2 PHE A 70 2.071 5.796 8.930 1.00 0.00 C ATOM 1013 CE1 PHE A 70 3.134 3.705 10.456 1.00 0.00 C ATOM 1014 CE2 PHE A 70 3.257 5.170 8.530 1.00 0.00 C ATOM 1015 CZ PHE A 70 3.789 4.126 9.294 1.00 0.00 C ATOM 0 H PHE A 70 -2.037 6.938 10.867 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.957 5.099 8.901 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.117 7.076 10.171 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.086 6.084 11.616 1.00 0.00 H new ATOM 0 HD1 PHE A 70 1.444 4.004 11.754 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.661 6.604 8.342 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.544 2.897 11.044 1.00 0.00 H new ATOM 0 HE2 PHE A 70 3.762 5.493 7.631 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.706 3.645 8.987 1.00 0.00 H new ATOM 1025 N ALA A 71 -1.855 3.861 11.766 1.00 0.00 N ATOM 1026 CA ALA A 71 -2.035 2.563 12.477 1.00 0.00 C ATOM 1027 C ALA A 71 -2.811 1.588 11.594 1.00 0.00 C ATOM 1028 O ALA A 71 -2.426 0.445 11.406 1.00 0.00 O ATOM 1029 CB ALA A 71 -2.852 2.912 13.723 1.00 0.00 C ATOM 0 H ALA A 71 -2.285 4.667 12.221 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.086 2.089 12.725 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -3.030 2.008 14.306 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.302 3.632 14.329 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.806 3.344 13.423 1.00 0.00 H new ATOM 1035 N VAL A 72 -3.901 2.038 11.052 1.00 0.00 N ATOM 1036 CA VAL A 72 -4.725 1.162 10.179 1.00 0.00 C ATOM 1037 C VAL A 72 -3.900 0.671 8.981 1.00 0.00 C ATOM 1038 O VAL A 72 -4.196 -0.347 8.382 1.00 0.00 O ATOM 1039 CB VAL A 72 -5.875 2.060 9.713 1.00 0.00 C ATOM 1040 CG1 VAL A 72 -6.720 1.321 8.674 1.00 0.00 C ATOM 1041 CG2 VAL A 72 -6.754 2.442 10.913 1.00 0.00 C ATOM 0 H VAL A 72 -4.261 2.984 11.176 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.080 0.271 10.697 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.463 2.964 9.265 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.537 1.964 8.346 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.098 1.059 7.818 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.129 0.413 9.117 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -7.571 3.081 10.577 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -7.163 1.539 11.367 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.153 2.978 11.648 1.00 0.00 H new ATOM 1051 N ALA A 73 -2.875 1.395 8.618 1.00 0.00 N ATOM 1052 CA ALA A 73 -2.045 0.985 7.445 1.00 0.00 C ATOM 1053 C ALA A 73 -0.936 0.006 7.841 1.00 0.00 C ATOM 1054 O ALA A 73 -0.262 -0.545 6.992 1.00 0.00 O ATOM 1055 CB ALA A 73 -1.428 2.285 6.936 1.00 0.00 C ATOM 0 H ALA A 73 -2.576 2.253 9.082 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.649 0.472 6.697 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.800 2.075 6.071 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.221 2.976 6.650 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.823 2.733 7.724 1.00 0.00 H new ATOM 1061 N MET A 74 -0.723 -0.218 9.106 1.00 0.00 N ATOM 1062 CA MET A 74 0.366 -1.162 9.498 1.00 0.00 C ATOM 1063 C MET A 74 -0.173 -2.584 9.604 1.00 0.00 C ATOM 1064 O MET A 74 0.463 -3.526 9.175 1.00 0.00 O ATOM 1065 CB MET A 74 0.888 -0.671 10.852 1.00 0.00 C ATOM 1066 CG MET A 74 0.965 0.864 10.887 1.00 0.00 C ATOM 1067 SD MET A 74 1.488 1.527 9.278 1.00 0.00 S ATOM 1068 CE MET A 74 2.979 0.526 9.083 1.00 0.00 C ATOM 0 H MET A 74 -1.244 0.202 9.876 1.00 0.00 H new ATOM 0 HA MET A 74 1.164 -1.183 8.755 1.00 0.00 H new ATOM 0 HB2 MET A 74 0.233 -1.024 11.648 1.00 0.00 H new ATOM 0 HB3 MET A 74 1.875 -1.093 11.040 1.00 0.00 H new ATOM 0 HG2 MET A 74 -0.009 1.274 11.154 1.00 0.00 H new ATOM 0 HG3 MET A 74 1.667 1.179 11.659 1.00 0.00 H new ATOM 0 HE1 MET A 74 3.770 1.133 8.642 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.302 0.161 10.058 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.766 -0.321 8.431 1.00 0.00 H new ATOM 1078 N PHE A 75 -1.345 -2.758 10.144 1.00 0.00 N ATOM 1079 CA PHE A 75 -1.896 -4.138 10.232 1.00 0.00 C ATOM 1080 C PHE A 75 -2.441 -4.529 8.855 1.00 0.00 C ATOM 1081 O PHE A 75 -2.609 -5.692 8.543 1.00 0.00 O ATOM 1082 CB PHE A 75 -2.993 -4.086 11.305 1.00 0.00 C ATOM 1083 CG PHE A 75 -4.315 -3.704 10.691 1.00 0.00 C ATOM 1084 CD1 PHE A 75 -5.151 -4.689 10.154 1.00 0.00 C ATOM 1085 CD2 PHE A 75 -4.699 -2.364 10.660 1.00 0.00 C ATOM 1086 CE1 PHE A 75 -6.379 -4.328 9.586 1.00 0.00 C ATOM 1087 CE2 PHE A 75 -5.921 -2.004 10.095 1.00 0.00 C ATOM 1088 CZ PHE A 75 -6.764 -2.984 9.556 1.00 0.00 C ATOM 0 H PHE A 75 -1.937 -2.019 10.523 1.00 0.00 H new ATOM 0 HA PHE A 75 -1.153 -4.887 10.507 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.079 -5.057 11.793 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.722 -3.365 12.076 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -4.850 -5.726 10.178 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -4.050 -1.606 11.073 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -7.027 -5.086 9.172 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -6.219 -0.966 10.073 1.00 0.00 H new ATOM 0 HZ PHE A 75 -7.710 -2.702 9.118 1.00 0.00 H new ATOM 1098 N LEU A 76 -2.690 -3.549 8.023 1.00 0.00 N ATOM 1099 CA LEU A 76 -3.194 -3.832 6.648 1.00 0.00 C ATOM 1100 C LEU A 76 -2.020 -4.218 5.743 1.00 0.00 C ATOM 1101 O LEU A 76 -2.183 -4.892 4.746 1.00 0.00 O ATOM 1102 CB LEU A 76 -3.840 -2.525 6.190 1.00 0.00 C ATOM 1103 CG LEU A 76 -5.341 -2.573 6.481 1.00 0.00 C ATOM 1104 CD1 LEU A 76 -5.997 -1.270 6.018 1.00 0.00 C ATOM 1105 CD2 LEU A 76 -5.965 -3.753 5.729 1.00 0.00 C ATOM 0 H LEU A 76 -2.565 -2.560 8.240 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.904 -4.658 6.615 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.385 -1.680 6.707 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.669 -2.376 5.124 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.499 -2.696 7.552 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.066 -1.307 6.226 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.552 -0.429 6.551 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.840 -1.144 4.947 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.035 -3.790 5.934 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.805 -3.628 4.658 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.500 -4.682 6.059 1.00 0.00 H new ATOM 1117 N VAL A 77 -0.836 -3.800 6.098 1.00 0.00 N ATOM 1118 CA VAL A 77 0.366 -4.141 5.281 1.00 0.00 C ATOM 1119 C VAL A 77 1.006 -5.434 5.792 1.00 0.00 C ATOM 1120 O VAL A 77 1.571 -6.197 5.035 1.00 0.00 O ATOM 1121 CB VAL A 77 1.311 -2.951 5.474 1.00 0.00 C ATOM 1122 CG1 VAL A 77 2.656 -3.247 4.811 1.00 0.00 C ATOM 1123 CG2 VAL A 77 0.696 -1.704 4.834 1.00 0.00 C ATOM 0 H VAL A 77 -0.647 -3.233 6.925 1.00 0.00 H new ATOM 0 HA VAL A 77 0.126 -4.308 4.231 1.00 0.00 H new ATOM 0 HB VAL A 77 1.462 -2.781 6.540 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.325 -2.398 4.951 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.097 -4.135 5.264 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.506 -3.419 3.745 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.367 -0.856 4.971 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.544 -1.879 3.769 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.262 -1.488 5.306 1.00 0.00 H new ATOM 1133 N TYR A 78 0.924 -5.687 7.070 1.00 0.00 N ATOM 1134 CA TYR A 78 1.534 -6.930 7.616 1.00 0.00 C ATOM 1135 C TYR A 78 0.616 -8.127 7.370 1.00 0.00 C ATOM 1136 O TYR A 78 1.056 -9.258 7.310 1.00 0.00 O ATOM 1137 CB TYR A 78 1.707 -6.667 9.111 1.00 0.00 C ATOM 1138 CG TYR A 78 3.129 -6.239 9.357 1.00 0.00 C ATOM 1139 CD1 TYR A 78 4.181 -6.999 8.835 1.00 0.00 C ATOM 1140 CD2 TYR A 78 3.398 -5.079 10.092 1.00 0.00 C ATOM 1141 CE1 TYR A 78 5.505 -6.600 9.049 1.00 0.00 C ATOM 1142 CE2 TYR A 78 4.723 -4.680 10.309 1.00 0.00 C ATOM 1143 CZ TYR A 78 5.776 -5.440 9.786 1.00 0.00 C ATOM 1144 OH TYR A 78 7.083 -5.046 9.994 1.00 0.00 O ATOM 0 H TYR A 78 0.463 -5.089 7.756 1.00 0.00 H new ATOM 0 HA TYR A 78 2.485 -7.167 7.138 1.00 0.00 H new ATOM 0 HB2 TYR A 78 1.015 -5.893 9.442 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.477 -7.566 9.683 1.00 0.00 H new ATOM 0 HD1 TYR A 78 3.971 -7.893 8.267 1.00 0.00 H new ATOM 0 HD2 TYR A 78 2.584 -4.492 10.492 1.00 0.00 H new ATOM 0 HE1 TYR A 78 6.318 -7.186 8.646 1.00 0.00 H new ATOM 0 HE2 TYR A 78 4.932 -3.787 10.879 1.00 0.00 H new ATOM 0 HH TYR A 78 7.096 -4.221 10.523 1.00 0.00 H new ATOM 1154 N CYS A 79 -0.654 -7.887 7.213 1.00 0.00 N ATOM 1155 CA CYS A 79 -1.595 -9.011 6.956 1.00 0.00 C ATOM 1156 C CYS A 79 -1.648 -9.296 5.453 1.00 0.00 C ATOM 1157 O CYS A 79 -2.127 -10.324 5.018 1.00 0.00 O ATOM 1158 CB CYS A 79 -2.948 -8.520 7.466 1.00 0.00 C ATOM 1159 SG CYS A 79 -2.918 -8.452 9.275 1.00 0.00 S ATOM 0 H CYS A 79 -1.082 -6.962 7.251 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.296 -9.936 7.449 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -3.167 -7.534 7.057 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.741 -9.188 7.129 1.00 0.00 H new ATOM 0 HG CYS A 79 -2.769 -7.219 9.661 1.00 0.00 H new ATOM 1165 N ALA A 80 -1.136 -8.402 4.655 1.00 0.00 N ATOM 1166 CA ALA A 80 -1.140 -8.638 3.188 1.00 0.00 C ATOM 1167 C ALA A 80 -0.041 -9.637 2.850 1.00 0.00 C ATOM 1168 O ALA A 80 -0.035 -10.252 1.802 1.00 0.00 O ATOM 1169 CB ALA A 80 -0.845 -7.275 2.561 1.00 0.00 C ATOM 0 H ALA A 80 -0.717 -7.522 4.955 1.00 0.00 H new ATOM 0 HA ALA A 80 -2.083 -9.044 2.823 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.832 -7.369 1.475 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -1.618 -6.565 2.854 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.125 -6.918 2.906 1.00 0.00 H new ATOM 1175 N LEU A 81 0.897 -9.793 3.743 1.00 0.00 N ATOM 1176 CA LEU A 81 2.015 -10.739 3.503 1.00 0.00 C ATOM 1177 C LEU A 81 1.709 -12.121 4.072 1.00 0.00 C ATOM 1178 O LEU A 81 1.910 -13.132 3.428 1.00 0.00 O ATOM 1179 CB LEU A 81 3.206 -10.130 4.236 1.00 0.00 C ATOM 1180 CG LEU A 81 3.493 -8.740 3.677 1.00 0.00 C ATOM 1181 CD1 LEU A 81 3.743 -7.768 4.831 1.00 0.00 C ATOM 1182 CD2 LEU A 81 4.731 -8.808 2.786 1.00 0.00 C ATOM 0 H LEU A 81 0.934 -9.300 4.635 1.00 0.00 H new ATOM 0 HA LEU A 81 2.197 -10.876 2.437 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.996 -10.068 5.304 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.082 -10.768 4.120 1.00 0.00 H new ATOM 0 HG LEU A 81 2.640 -8.393 3.094 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.948 -6.775 4.432 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.861 -7.727 5.470 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.598 -8.108 5.415 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.943 -7.818 2.382 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.583 -9.151 3.373 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.551 -9.504 1.966 1.00 0.00 H new ATOM 1194 N GLU A 82 1.268 -12.177 5.297 1.00 0.00 N ATOM 1195 CA GLU A 82 1.004 -13.500 5.927 1.00 0.00 C ATOM 1196 C GLU A 82 -0.496 -13.781 6.088 1.00 0.00 C ATOM 1197 O GLU A 82 -0.915 -14.922 6.113 1.00 0.00 O ATOM 1198 CB GLU A 82 1.687 -13.404 7.295 1.00 0.00 C ATOM 1199 CG GLU A 82 1.105 -14.446 8.252 1.00 0.00 C ATOM 1200 CD GLU A 82 1.461 -15.850 7.757 1.00 0.00 C ATOM 1201 OE1 GLU A 82 1.020 -16.204 6.677 1.00 0.00 O ATOM 1202 OE2 GLU A 82 2.168 -16.546 8.467 1.00 0.00 O ATOM 0 H GLU A 82 1.079 -11.367 5.888 1.00 0.00 H new ATOM 0 HA GLU A 82 1.382 -14.319 5.314 1.00 0.00 H new ATOM 0 HB2 GLU A 82 2.760 -13.560 7.185 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.551 -12.404 7.708 1.00 0.00 H new ATOM 0 HG2 GLU A 82 1.499 -14.292 9.257 1.00 0.00 H new ATOM 0 HG3 GLU A 82 0.022 -14.334 8.313 1.00 0.00 H new ATOM 1260 N VAL A 86 -5.775 -7.079 0.743 1.00 0.00 N ATOM 1261 CA VAL A 86 -6.519 -5.957 1.379 1.00 0.00 C ATOM 1262 C VAL A 86 -7.563 -5.390 0.412 1.00 0.00 C ATOM 1263 O VAL A 86 -7.245 -5.044 -0.708 1.00 0.00 O ATOM 1264 CB VAL A 86 -5.447 -4.909 1.676 1.00 0.00 C ATOM 1265 CG1 VAL A 86 -6.091 -3.683 2.325 1.00 0.00 C ATOM 1266 CG2 VAL A 86 -4.403 -5.499 2.626 1.00 0.00 C ATOM 0 HA VAL A 86 -7.057 -6.270 2.274 1.00 0.00 H new ATOM 0 HB VAL A 86 -4.965 -4.614 0.744 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.324 -2.938 2.536 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -6.832 -3.260 1.647 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -6.577 -3.977 3.256 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.639 -4.751 2.837 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -4.885 -5.798 3.557 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.940 -6.370 2.162 1.00 0.00 H new ATOM 1276 N PRO A 87 -8.780 -5.303 0.881 1.00 0.00 N ATOM 1277 CA PRO A 87 -9.872 -4.761 0.049 1.00 0.00 C ATOM 1278 C PRO A 87 -9.818 -3.231 0.063 1.00 0.00 C ATOM 1279 O PRO A 87 -8.903 -2.643 0.603 1.00 0.00 O ATOM 1280 CB PRO A 87 -11.134 -5.268 0.737 1.00 0.00 C ATOM 1281 CG PRO A 87 -10.745 -5.502 2.165 1.00 0.00 C ATOM 1282 CD PRO A 87 -9.247 -5.697 2.214 1.00 0.00 C ATOM 0 HA PRO A 87 -9.818 -5.067 -0.996 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -11.941 -4.538 0.664 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -11.492 -6.187 0.272 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -11.040 -4.655 2.784 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -11.257 -6.379 2.561 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -8.792 -5.083 2.991 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -8.989 -6.733 2.435 1.00 0.00 H new ATOM 1290 N MET A 88 -10.784 -2.581 -0.521 1.00 0.00 N ATOM 1291 CA MET A 88 -10.767 -1.090 -0.526 1.00 0.00 C ATOM 1292 C MET A 88 -11.937 -0.545 0.279 1.00 0.00 C ATOM 1293 O MET A 88 -12.356 0.580 0.092 1.00 0.00 O ATOM 1294 CB MET A 88 -10.954 -0.674 -1.976 1.00 0.00 C ATOM 1295 CG MET A 88 -10.118 -1.566 -2.896 1.00 0.00 C ATOM 1296 SD MET A 88 -10.519 -1.200 -4.624 1.00 0.00 S ATOM 1297 CE MET A 88 -12.298 -1.505 -4.522 1.00 0.00 C ATOM 0 H MET A 88 -11.579 -3.012 -0.992 1.00 0.00 H new ATOM 0 HA MET A 88 -9.840 -0.713 -0.094 1.00 0.00 H new ATOM 0 HB2 MET A 88 -12.007 -0.744 -2.249 1.00 0.00 H new ATOM 0 HB3 MET A 88 -10.660 0.368 -2.103 1.00 0.00 H new ATOM 0 HG2 MET A 88 -9.056 -1.399 -2.715 1.00 0.00 H new ATOM 0 HG3 MET A 88 -10.317 -2.616 -2.680 1.00 0.00 H new ATOM 0 HE1 MET A 88 -12.669 -1.824 -5.496 1.00 0.00 H new ATOM 0 HE2 MET A 88 -12.492 -2.285 -3.786 1.00 0.00 H new ATOM 0 HE3 MET A 88 -12.808 -0.589 -4.222 1.00 0.00 H new ATOM 1307 N SER A 89 -12.490 -1.327 1.152 1.00 0.00 N ATOM 1308 CA SER A 89 -13.653 -0.823 1.925 1.00 0.00 C ATOM 1309 C SER A 89 -13.302 -0.622 3.386 1.00 0.00 C ATOM 1310 O SER A 89 -13.216 -1.555 4.156 1.00 0.00 O ATOM 1311 CB SER A 89 -14.723 -1.889 1.789 1.00 0.00 C ATOM 1312 OG SER A 89 -15.097 -2.015 0.424 1.00 0.00 O ATOM 0 H SER A 89 -12.195 -2.280 1.364 1.00 0.00 H new ATOM 0 HA SER A 89 -13.982 0.146 1.549 1.00 0.00 H new ATOM 0 HB2 SER A 89 -14.351 -2.842 2.164 1.00 0.00 H new ATOM 0 HB3 SER A 89 -15.592 -1.626 2.392 1.00 0.00 H new ATOM 0 HG SER A 89 -15.787 -2.705 0.336 1.00 0.00 H new ATOM 1318 N LEU A 90 -13.117 0.600 3.767 1.00 0.00 N ATOM 1319 CA LEU A 90 -12.787 0.894 5.188 1.00 0.00 C ATOM 1320 C LEU A 90 -13.904 0.377 6.095 1.00 0.00 C ATOM 1321 O LEU A 90 -14.984 0.932 6.125 1.00 0.00 O ATOM 1322 CB LEU A 90 -12.698 2.418 5.272 1.00 0.00 C ATOM 1323 CG LEU A 90 -11.236 2.830 5.425 1.00 0.00 C ATOM 1324 CD1 LEU A 90 -11.104 4.338 5.205 1.00 0.00 C ATOM 1325 CD2 LEU A 90 -10.751 2.477 6.831 1.00 0.00 C ATOM 0 H LEU A 90 -13.179 1.416 3.158 1.00 0.00 H new ATOM 0 HA LEU A 90 -11.860 0.416 5.506 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -13.123 2.869 4.375 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -13.281 2.782 6.118 1.00 0.00 H new ATOM 0 HG LEU A 90 -10.632 2.301 4.688 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -10.060 4.632 5.314 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -11.449 4.591 4.202 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -11.709 4.867 5.941 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -9.707 2.771 6.940 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -11.356 3.005 7.568 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -10.844 1.402 6.989 1.00 0.00 H new ATOM 1337 N PRO A 91 -13.607 -0.676 6.803 1.00 0.00 N ATOM 1338 CA PRO A 91 -14.606 -1.277 7.722 1.00 0.00 C ATOM 1339 C PRO A 91 -14.877 -0.344 8.906 1.00 0.00 C ATOM 1340 O PRO A 91 -13.977 0.296 9.414 1.00 0.00 O ATOM 1341 CB PRO A 91 -13.935 -2.571 8.178 1.00 0.00 C ATOM 1342 CG PRO A 91 -12.472 -2.324 8.005 1.00 0.00 C ATOM 1343 CD PRO A 91 -12.330 -1.398 6.824 1.00 0.00 C ATOM 0 HA PRO A 91 -15.575 -1.450 7.253 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -14.178 -2.798 9.216 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -14.266 -3.420 7.580 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -12.046 -1.876 8.903 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -11.939 -3.259 7.831 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -11.486 -0.719 6.945 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -12.165 -1.950 5.898 1.00 0.00 H new ATOM 1351 N PRO A 92 -16.120 -0.301 9.305 1.00 0.00 N ATOM 1352 CA PRO A 92 -16.535 0.561 10.442 1.00 0.00 C ATOM 1353 C PRO A 92 -15.999 0.009 11.763 1.00 0.00 C ATOM 1354 O PRO A 92 -16.148 0.609 12.809 1.00 0.00 O ATOM 1355 CB PRO A 92 -18.055 0.487 10.410 1.00 0.00 C ATOM 1356 CG PRO A 92 -18.365 -0.803 9.722 1.00 0.00 C ATOM 1357 CD PRO A 92 -17.248 -1.050 8.742 1.00 0.00 C ATOM 0 HA PRO A 92 -16.156 1.580 10.362 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -18.472 0.508 11.417 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -18.480 1.334 9.871 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -18.436 -1.618 10.442 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -19.325 -0.747 9.209 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -17.020 -2.112 8.654 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -17.505 -0.696 7.744 1.00 0.00 H new ATOM 1365 N ALA A 93 -15.370 -1.128 11.718 1.00 0.00 N ATOM 1366 CA ALA A 93 -14.811 -1.725 12.963 1.00 0.00 C ATOM 1367 C ALA A 93 -13.357 -1.290 13.124 1.00 0.00 C ATOM 1368 O ALA A 93 -12.639 -1.783 13.967 1.00 0.00 O ATOM 1369 CB ALA A 93 -14.889 -3.238 12.749 1.00 0.00 C ATOM 0 H ALA A 93 -15.217 -1.674 10.870 1.00 0.00 H new ATOM 0 HA ALA A 93 -15.352 -1.414 13.857 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -14.494 -3.750 13.626 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -15.928 -3.531 12.595 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -14.301 -3.512 11.873 1.00 0.00 H new ATOM 1375 N LEU A 94 -12.918 -0.380 12.300 1.00 0.00 N ATOM 1376 CA LEU A 94 -11.507 0.086 12.370 1.00 0.00 C ATOM 1377 C LEU A 94 -11.460 1.619 12.455 1.00 0.00 C ATOM 1378 O LEU A 94 -10.422 2.213 12.669 1.00 0.00 O ATOM 1379 CB LEU A 94 -10.906 -0.432 11.059 1.00 0.00 C ATOM 1380 CG LEU A 94 -9.781 0.479 10.575 1.00 0.00 C ATOM 1381 CD1 LEU A 94 -8.661 -0.375 9.991 1.00 0.00 C ATOM 1382 CD2 LEU A 94 -10.331 1.414 9.499 1.00 0.00 C ATOM 0 H LEU A 94 -13.482 0.064 11.575 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.964 -0.272 13.245 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -10.523 -1.442 11.204 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -11.683 -0.492 10.297 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.390 1.067 11.406 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.854 0.271 9.644 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.281 -1.050 10.758 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -9.046 -0.957 9.154 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.535 2.070 9.146 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -10.713 0.825 8.665 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -11.138 2.015 9.917 1.00 0.00 H new ATOM 1394 N VAL A 95 -12.578 2.264 12.298 1.00 0.00 N ATOM 1395 CA VAL A 95 -12.590 3.753 12.366 1.00 0.00 C ATOM 1396 C VAL A 95 -12.643 4.228 13.819 1.00 0.00 C ATOM 1397 O VAL A 95 -13.629 4.032 14.502 1.00 0.00 O ATOM 1398 CB VAL A 95 -13.853 4.170 11.616 1.00 0.00 C ATOM 1399 CG1 VAL A 95 -13.926 5.697 11.552 1.00 0.00 C ATOM 1400 CG2 VAL A 95 -13.807 3.603 10.196 1.00 0.00 C ATOM 0 H VAL A 95 -13.484 1.828 12.126 1.00 0.00 H new ATOM 0 HA VAL A 95 -11.691 4.190 11.931 1.00 0.00 H new ATOM 0 HB VAL A 95 -14.731 3.786 12.135 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -14.827 5.996 11.017 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -13.953 6.103 12.563 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -13.050 6.082 11.030 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -14.707 3.898 9.657 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -12.930 3.991 9.678 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -13.751 2.515 10.240 1.00 0.00 H new