USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 479 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 37 TYR OH : rot -131:sc= 0.729 USER MOD Set 1.2: A 90 LYS NZ :NH3+ -121:sc= 0.536 (180deg=-0.13) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0163 USER MOD Single : A 30 GLN : amide:sc=-0.00301 X(o=-0.003,f=-0.003) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 54 SER OG : rot 75:sc= 0.946 USER MOD Single : A 57 SER OG : rot -85:sc= 1.48 USER MOD Single : A 67 SER OG : rot -140:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 43:sc= 0.265 USER MOD Single : A 74 SER OG : rot -4:sc= 1.1 USER MOD Single : A 81 ASN : amide:sc= -0.0224 X(o=-0.022,f=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 19 N ALA A 22 0.591 -1.257 -5.010 1.00 0.00 N ATOM 20 CA ALA A 22 1.733 -2.092 -4.600 1.00 0.00 C ATOM 21 C ALA A 22 2.581 -2.355 -5.864 1.00 0.00 C ATOM 22 O ALA A 22 2.657 -1.466 -6.733 1.00 0.00 O ATOM 23 CB ALA A 22 1.215 -3.387 -3.938 1.00 0.00 C ATOM 0 HA ALA A 22 2.359 -1.599 -3.856 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.061 -4.004 -3.635 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.618 -3.134 -3.062 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.600 -3.938 -4.649 1.00 0.00 H new ATOM 29 N ALA A 23 3.227 -3.542 -5.979 1.00 0.00 N ATOM 30 CA ALA A 23 3.923 -3.936 -7.222 1.00 0.00 C ATOM 31 C ALA A 23 2.925 -3.983 -8.396 1.00 0.00 C ATOM 32 O ALA A 23 1.946 -4.735 -8.364 1.00 0.00 O ATOM 33 CB ALA A 23 4.642 -5.279 -7.053 1.00 0.00 C ATOM 0 H ALA A 23 3.279 -4.235 -5.232 1.00 0.00 H new ATOM 0 HA ALA A 23 4.683 -3.187 -7.444 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.145 -5.542 -7.984 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.378 -5.200 -6.253 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.915 -6.052 -6.802 1.00 0.00 H new ATOM 39 N THR A 24 3.178 -3.136 -9.395 1.00 0.00 N ATOM 40 CA THR A 24 2.295 -2.925 -10.551 1.00 0.00 C ATOM 41 C THR A 24 2.488 -4.046 -11.594 1.00 0.00 C ATOM 42 O THR A 24 3.561 -4.621 -11.669 1.00 0.00 O ATOM 43 CB THR A 24 2.627 -1.530 -11.180 1.00 0.00 C ATOM 44 OG1 THR A 24 2.606 -0.518 -10.143 1.00 0.00 O ATOM 45 CG2 THR A 24 1.643 -1.130 -12.294 1.00 0.00 C ATOM 0 H THR A 24 4.021 -2.563 -9.427 1.00 0.00 H new ATOM 0 HA THR A 24 1.254 -2.948 -10.228 1.00 0.00 H new ATOM 0 HB THR A 24 3.617 -1.607 -11.630 1.00 0.00 H new ATOM 0 HG1 THR A 24 2.815 0.356 -10.534 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.922 -0.155 -12.693 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.676 -1.872 -13.092 1.00 0.00 H new ATOM 0 HG23 THR A 24 0.633 -1.080 -11.887 1.00 0.00 H new ATOM 53 N GLU A 25 1.439 -4.398 -12.361 1.00 0.00 N ATOM 54 CA GLU A 25 1.595 -5.325 -13.503 1.00 0.00 C ATOM 55 C GLU A 25 2.460 -4.655 -14.595 1.00 0.00 C ATOM 56 O GLU A 25 2.253 -3.473 -14.919 1.00 0.00 O ATOM 57 CB GLU A 25 0.225 -5.756 -14.089 1.00 0.00 C ATOM 58 CG GLU A 25 0.323 -6.795 -15.229 1.00 0.00 C ATOM 59 CD GLU A 25 -1.041 -7.196 -15.814 1.00 0.00 C ATOM 60 OE1 GLU A 25 -1.580 -6.441 -16.646 1.00 0.00 O ATOM 61 OE2 GLU A 25 -1.579 -8.262 -15.436 1.00 0.00 O ATOM 0 H GLU A 25 0.487 -4.062 -12.216 1.00 0.00 H new ATOM 0 HA GLU A 25 2.090 -6.227 -13.143 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.387 -6.169 -13.287 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.293 -4.872 -14.462 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.946 -6.390 -16.026 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.825 -7.687 -14.854 1.00 0.00 H new ATOM 68 N LEU A 26 3.433 -5.399 -15.136 1.00 0.00 N ATOM 69 CA LEU A 26 4.368 -4.887 -16.142 1.00 0.00 C ATOM 70 C LEU A 26 3.835 -5.240 -17.536 1.00 0.00 C ATOM 71 O LEU A 26 3.384 -6.368 -17.769 1.00 0.00 O ATOM 72 CB LEU A 26 5.798 -5.462 -15.920 1.00 0.00 C ATOM 73 CG LEU A 26 6.953 -4.712 -16.658 1.00 0.00 C ATOM 74 CD1 LEU A 26 6.987 -3.212 -16.275 1.00 0.00 C ATOM 75 CD2 LEU A 26 8.319 -5.377 -16.386 1.00 0.00 C ATOM 0 H LEU A 26 3.593 -6.375 -14.887 1.00 0.00 H new ATOM 0 HA LEU A 26 4.445 -3.804 -16.051 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.010 -5.455 -14.851 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.804 -6.504 -16.240 1.00 0.00 H new ATOM 0 HG LEU A 26 6.753 -4.781 -17.727 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.802 -2.719 -16.806 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.041 -2.745 -16.549 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.142 -3.114 -15.201 1.00 0.00 H new ATOM 0 HD21 LEU A 26 9.101 -4.831 -16.914 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.525 -5.361 -15.316 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.297 -6.409 -16.736 1.00 0.00 H new ATOM 87 N THR A 27 3.875 -4.263 -18.444 1.00 0.00 N ATOM 88 CA THR A 27 3.347 -4.395 -19.807 1.00 0.00 C ATOM 89 C THR A 27 4.292 -5.284 -20.671 1.00 0.00 C ATOM 90 O THR A 27 5.506 -5.231 -20.483 1.00 0.00 O ATOM 91 CB THR A 27 3.146 -2.968 -20.415 1.00 0.00 C ATOM 92 OG1 THR A 27 4.332 -2.191 -20.201 1.00 0.00 O ATOM 93 CG2 THR A 27 1.942 -2.226 -19.801 1.00 0.00 C ATOM 0 H THR A 27 4.279 -3.346 -18.253 1.00 0.00 H new ATOM 0 HA THR A 27 2.378 -4.895 -19.790 1.00 0.00 H new ATOM 0 HB THR A 27 2.947 -3.094 -21.479 1.00 0.00 H new ATOM 0 HG1 THR A 27 4.210 -1.296 -20.582 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.849 -1.241 -20.259 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.032 -2.798 -19.982 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.093 -2.114 -18.727 1.00 0.00 H new ATOM 101 N PRO A 28 3.733 -6.116 -21.626 1.00 0.00 N ATOM 102 CA PRO A 28 4.468 -7.234 -22.301 1.00 0.00 C ATOM 103 C PRO A 28 5.827 -6.849 -22.958 1.00 0.00 C ATOM 104 O PRO A 28 6.776 -7.642 -22.899 1.00 0.00 O ATOM 105 CB PRO A 28 3.446 -7.766 -23.358 1.00 0.00 C ATOM 106 CG PRO A 28 2.396 -6.700 -23.468 1.00 0.00 C ATOM 107 CD PRO A 28 2.324 -6.054 -22.109 1.00 0.00 C ATOM 0 HA PRO A 28 4.777 -7.976 -21.565 1.00 0.00 H new ATOM 0 HB2 PRO A 28 3.930 -7.942 -24.319 1.00 0.00 H new ATOM 0 HB3 PRO A 28 3.012 -8.714 -23.042 1.00 0.00 H new ATOM 0 HG2 PRO A 28 2.658 -5.971 -24.234 1.00 0.00 H new ATOM 0 HG3 PRO A 28 1.433 -7.127 -23.750 1.00 0.00 H new ATOM 0 HD2 PRO A 28 1.964 -5.027 -22.170 1.00 0.00 H new ATOM 0 HD3 PRO A 28 1.647 -6.590 -21.444 1.00 0.00 H new ATOM 115 N GLU A 29 5.909 -5.652 -23.577 1.00 0.00 N ATOM 116 CA GLU A 29 7.155 -5.166 -24.228 1.00 0.00 C ATOM 117 C GLU A 29 8.223 -4.834 -23.167 1.00 0.00 C ATOM 118 O GLU A 29 9.401 -5.165 -23.340 1.00 0.00 O ATOM 119 CB GLU A 29 6.861 -3.927 -25.122 1.00 0.00 C ATOM 120 CG GLU A 29 8.064 -3.365 -25.911 1.00 0.00 C ATOM 121 CD GLU A 29 8.624 -4.341 -26.958 1.00 0.00 C ATOM 122 OE1 GLU A 29 7.862 -4.774 -27.845 1.00 0.00 O ATOM 123 OE2 GLU A 29 9.818 -4.698 -26.892 1.00 0.00 O ATOM 0 H GLU A 29 5.128 -5.000 -23.642 1.00 0.00 H new ATOM 0 HA GLU A 29 7.542 -5.960 -24.867 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.078 -4.193 -25.832 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.463 -3.133 -24.490 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.762 -2.444 -26.410 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.857 -3.103 -25.210 1.00 0.00 H new ATOM 130 N GLN A 30 7.783 -4.197 -22.063 1.00 0.00 N ATOM 131 CA GLN A 30 8.656 -3.860 -20.916 1.00 0.00 C ATOM 132 C GLN A 30 9.094 -5.140 -20.171 1.00 0.00 C ATOM 133 O GLN A 30 10.210 -5.219 -19.675 1.00 0.00 O ATOM 134 CB GLN A 30 7.936 -2.904 -19.924 1.00 0.00 C ATOM 135 CG GLN A 30 7.412 -1.583 -20.520 1.00 0.00 C ATOM 136 CD GLN A 30 8.481 -0.737 -21.201 1.00 0.00 C ATOM 137 OE1 GLN A 30 8.696 -0.838 -22.408 1.00 0.00 O ATOM 138 NE2 GLN A 30 9.167 0.095 -20.431 1.00 0.00 N ATOM 0 H GLN A 30 6.815 -3.901 -21.940 1.00 0.00 H new ATOM 0 HA GLN A 30 9.537 -3.355 -21.312 1.00 0.00 H new ATOM 0 HB2 GLN A 30 7.096 -3.438 -19.481 1.00 0.00 H new ATOM 0 HB3 GLN A 30 8.626 -2.666 -19.114 1.00 0.00 H new ATOM 0 HG2 GLN A 30 6.629 -1.809 -21.243 1.00 0.00 H new ATOM 0 HG3 GLN A 30 6.952 -0.996 -19.725 1.00 0.00 H new ATOM 0 HE21 GLN A 30 8.962 0.153 -19.433 1.00 0.00 H new ATOM 0 HE22 GLN A 30 9.900 0.677 -20.836 1.00 0.00 H new ATOM 147 N ALA A 31 8.192 -6.132 -20.118 1.00 0.00 N ATOM 148 CA ALA A 31 8.416 -7.418 -19.425 1.00 0.00 C ATOM 149 C ALA A 31 9.343 -8.337 -20.240 1.00 0.00 C ATOM 150 O ALA A 31 9.980 -9.239 -19.689 1.00 0.00 O ATOM 151 CB ALA A 31 7.066 -8.101 -19.148 1.00 0.00 C ATOM 0 H ALA A 31 7.275 -6.067 -20.559 1.00 0.00 H new ATOM 0 HA ALA A 31 8.912 -7.219 -18.475 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.236 -9.049 -18.637 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.453 -7.455 -18.520 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.551 -8.284 -20.091 1.00 0.00 H new ATOM 157 N ALA A 32 9.383 -8.106 -21.563 1.00 0.00 N ATOM 158 CA ALA A 32 10.284 -8.819 -22.483 1.00 0.00 C ATOM 159 C ALA A 32 11.666 -8.139 -22.517 1.00 0.00 C ATOM 160 O ALA A 32 12.698 -8.813 -22.622 1.00 0.00 O ATOM 161 CB ALA A 32 9.658 -8.879 -23.886 1.00 0.00 C ATOM 0 H ALA A 32 8.789 -7.417 -22.025 1.00 0.00 H new ATOM 0 HA ALA A 32 10.425 -9.839 -22.127 1.00 0.00 H new ATOM 0 HB1 ALA A 32 10.330 -9.408 -24.562 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.705 -9.405 -23.837 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.495 -7.867 -24.255 1.00 0.00 H new ATOM 167 N ALA A 33 11.663 -6.790 -22.414 1.00 0.00 N ATOM 168 CA ALA A 33 12.893 -5.971 -22.444 1.00 0.00 C ATOM 169 C ALA A 33 13.680 -6.125 -21.141 1.00 0.00 C ATOM 170 O ALA A 33 14.909 -6.212 -21.151 1.00 0.00 O ATOM 171 CB ALA A 33 12.556 -4.498 -22.694 1.00 0.00 C ATOM 0 H ALA A 33 10.810 -6.242 -22.308 1.00 0.00 H new ATOM 0 HA ALA A 33 13.516 -6.327 -23.265 1.00 0.00 H new ATOM 0 HB1 ALA A 33 13.475 -3.912 -22.712 1.00 0.00 H new ATOM 0 HB2 ALA A 33 12.044 -4.399 -23.651 1.00 0.00 H new ATOM 0 HB3 ALA A 33 11.909 -4.132 -21.897 1.00 0.00 H new ATOM 177 N LEU A 34 12.945 -6.143 -20.023 1.00 0.00 N ATOM 178 CA LEU A 34 13.506 -6.415 -18.697 1.00 0.00 C ATOM 179 C LEU A 34 13.488 -7.919 -18.459 1.00 0.00 C ATOM 180 O LEU A 34 12.617 -8.631 -18.970 1.00 0.00 O ATOM 181 CB LEU A 34 12.705 -5.691 -17.580 1.00 0.00 C ATOM 182 CG LEU A 34 12.615 -4.140 -17.700 1.00 0.00 C ATOM 183 CD1 LEU A 34 11.831 -3.523 -16.521 1.00 0.00 C ATOM 184 CD2 LEU A 34 14.015 -3.503 -17.845 1.00 0.00 C ATOM 0 H LEU A 34 11.940 -5.968 -20.014 1.00 0.00 H new ATOM 0 HA LEU A 34 14.528 -6.038 -18.664 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.692 -6.094 -17.567 1.00 0.00 H new ATOM 0 HB3 LEU A 34 13.158 -5.936 -16.619 1.00 0.00 H new ATOM 0 HG LEU A 34 12.059 -3.916 -18.610 1.00 0.00 H new ATOM 0 HD11 LEU A 34 11.789 -2.440 -16.639 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.818 -3.926 -16.507 1.00 0.00 H new ATOM 0 HD13 LEU A 34 12.332 -3.767 -15.584 1.00 0.00 H new ATOM 0 HD21 LEU A 34 13.916 -2.421 -17.926 1.00 0.00 H new ATOM 0 HD22 LEU A 34 14.618 -3.747 -16.971 1.00 0.00 H new ATOM 0 HD23 LEU A 34 14.500 -3.891 -18.741 1.00 0.00 H new ATOM 196 N LYS A 35 14.469 -8.397 -17.705 1.00 0.00 N ATOM 197 CA LYS A 35 14.532 -9.791 -17.261 1.00 0.00 C ATOM 198 C LYS A 35 14.089 -9.852 -15.790 1.00 0.00 C ATOM 199 O LYS A 35 14.402 -8.934 -15.025 1.00 0.00 O ATOM 200 CB LYS A 35 15.974 -10.349 -17.452 1.00 0.00 C ATOM 201 CG LYS A 35 16.139 -11.832 -17.043 1.00 0.00 C ATOM 202 CD LYS A 35 17.493 -12.437 -17.454 1.00 0.00 C ATOM 203 CE LYS A 35 17.607 -13.927 -17.090 1.00 0.00 C ATOM 204 NZ LYS A 35 18.832 -14.541 -17.658 1.00 0.00 N ATOM 0 H LYS A 35 15.251 -7.828 -17.380 1.00 0.00 H new ATOM 0 HA LYS A 35 13.865 -10.413 -17.857 1.00 0.00 H new ATOM 0 HB2 LYS A 35 16.259 -10.238 -18.498 1.00 0.00 H new ATOM 0 HB3 LYS A 35 16.666 -9.743 -16.867 1.00 0.00 H new ATOM 0 HG2 LYS A 35 16.026 -11.917 -15.962 1.00 0.00 H new ATOM 0 HG3 LYS A 35 15.337 -12.416 -17.495 1.00 0.00 H new ATOM 0 HD2 LYS A 35 17.630 -12.317 -18.529 1.00 0.00 H new ATOM 0 HD3 LYS A 35 18.297 -11.885 -16.967 1.00 0.00 H new ATOM 0 HE2 LYS A 35 17.615 -14.037 -16.006 1.00 0.00 H new ATOM 0 HE3 LYS A 35 16.730 -14.459 -17.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 18.873 -15.545 -17.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 18.813 -14.459 -18.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 19.670 -14.050 -17.287 1.00 0.00 H new ATOM 218 N PRO A 36 13.292 -10.884 -15.368 1.00 0.00 N ATOM 219 CA PRO A 36 13.000 -11.111 -13.938 1.00 0.00 C ATOM 220 C PRO A 36 14.228 -11.671 -13.194 1.00 0.00 C ATOM 221 O PRO A 36 14.961 -12.520 -13.725 1.00 0.00 O ATOM 222 CB PRO A 36 11.847 -12.135 -13.973 1.00 0.00 C ATOM 223 CG PRO A 36 12.073 -12.894 -15.241 1.00 0.00 C ATOM 224 CD PRO A 36 12.583 -11.870 -16.235 1.00 0.00 C ATOM 0 HA PRO A 36 12.741 -10.196 -13.406 1.00 0.00 H new ATOM 0 HB2 PRO A 36 11.872 -12.793 -13.104 1.00 0.00 H new ATOM 0 HB3 PRO A 36 10.875 -11.641 -13.971 1.00 0.00 H new ATOM 0 HG2 PRO A 36 12.797 -13.696 -15.096 1.00 0.00 H new ATOM 0 HG3 PRO A 36 11.151 -13.357 -15.592 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.254 -12.318 -16.968 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.768 -11.406 -16.791 1.00 0.00 H new ATOM 232 N TYR A 37 14.451 -11.174 -11.971 1.00 0.00 N ATOM 233 CA TYR A 37 15.504 -11.690 -11.081 1.00 0.00 C ATOM 234 C TYR A 37 15.050 -13.011 -10.418 1.00 0.00 C ATOM 235 O TYR A 37 15.882 -13.808 -9.955 1.00 0.00 O ATOM 236 CB TYR A 37 15.897 -10.622 -10.020 1.00 0.00 C ATOM 237 CG TYR A 37 14.764 -10.155 -9.079 1.00 0.00 C ATOM 238 CD1 TYR A 37 13.952 -9.066 -9.408 1.00 0.00 C ATOM 239 CD2 TYR A 37 14.521 -10.792 -7.855 1.00 0.00 C ATOM 240 CE1 TYR A 37 12.948 -8.640 -8.557 1.00 0.00 C ATOM 241 CE2 TYR A 37 13.515 -10.366 -7.007 1.00 0.00 C ATOM 242 CZ TYR A 37 12.736 -9.289 -7.363 1.00 0.00 C ATOM 243 OH TYR A 37 11.738 -8.853 -6.521 1.00 0.00 O ATOM 0 H TYR A 37 13.911 -10.407 -11.570 1.00 0.00 H new ATOM 0 HA TYR A 37 16.392 -11.904 -11.675 1.00 0.00 H new ATOM 0 HB2 TYR A 37 16.706 -11.024 -9.411 1.00 0.00 H new ATOM 0 HB3 TYR A 37 16.293 -9.750 -10.540 1.00 0.00 H new ATOM 0 HD1 TYR A 37 14.111 -8.548 -10.342 1.00 0.00 H new ATOM 0 HD2 TYR A 37 15.133 -11.634 -7.567 1.00 0.00 H new ATOM 0 HE1 TYR A 37 12.330 -7.797 -8.830 1.00 0.00 H new ATOM 0 HE2 TYR A 37 13.342 -10.876 -6.071 1.00 0.00 H new ATOM 0 HH TYR A 37 12.093 -8.762 -5.612 1.00 0.00 H new ATOM 253 N ASP A 38 13.719 -13.229 -10.418 1.00 0.00 N ATOM 254 CA ASP A 38 13.065 -14.384 -9.787 1.00 0.00 C ATOM 255 C ASP A 38 11.602 -14.460 -10.288 1.00 0.00 C ATOM 256 O ASP A 38 11.157 -13.575 -11.033 1.00 0.00 O ATOM 257 CB ASP A 38 13.135 -14.233 -8.235 1.00 0.00 C ATOM 258 CG ASP A 38 12.779 -15.524 -7.477 1.00 0.00 C ATOM 259 OD1 ASP A 38 13.659 -16.404 -7.342 1.00 0.00 O ATOM 260 OD2 ASP A 38 11.620 -15.681 -7.044 1.00 0.00 O ATOM 0 H ASP A 38 13.060 -12.593 -10.866 1.00 0.00 H new ATOM 0 HA ASP A 38 13.571 -15.311 -10.055 1.00 0.00 H new ATOM 0 HB2 ASP A 38 14.141 -13.921 -7.953 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.456 -13.439 -7.924 1.00 0.00 H new ATOM 265 N ARG A 39 10.869 -15.523 -9.913 1.00 0.00 N ATOM 266 CA ARG A 39 9.430 -15.680 -10.204 1.00 0.00 C ATOM 267 C ARG A 39 8.716 -16.169 -8.937 1.00 0.00 C ATOM 268 O ARG A 39 9.076 -17.217 -8.384 1.00 0.00 O ATOM 269 CB ARG A 39 9.190 -16.681 -11.374 1.00 0.00 C ATOM 270 CG ARG A 39 9.771 -16.241 -12.737 1.00 0.00 C ATOM 271 CD ARG A 39 9.502 -17.248 -13.870 1.00 0.00 C ATOM 272 NE ARG A 39 10.223 -18.514 -13.679 1.00 0.00 N ATOM 273 CZ ARG A 39 10.606 -19.341 -14.663 1.00 0.00 C ATOM 274 NH1 ARG A 39 10.346 -19.070 -15.938 1.00 0.00 N ATOM 275 NH2 ARG A 39 11.260 -20.441 -14.361 1.00 0.00 N ATOM 0 H ARG A 39 11.262 -16.307 -9.393 1.00 0.00 H new ATOM 0 HA ARG A 39 9.029 -14.714 -10.511 1.00 0.00 H new ATOM 0 HB2 ARG A 39 9.624 -17.644 -11.104 1.00 0.00 H new ATOM 0 HB3 ARG A 39 8.117 -16.836 -11.486 1.00 0.00 H new ATOM 0 HG2 ARG A 39 9.345 -15.276 -13.010 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.847 -16.098 -12.636 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.432 -17.448 -13.928 1.00 0.00 H new ATOM 0 HD3 ARG A 39 9.796 -16.806 -14.822 1.00 0.00 H new ATOM 0 HE ARG A 39 10.450 -18.785 -12.722 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.845 -18.217 -16.186 1.00 0.00 H new ATOM 0 HH12 ARG A 39 10.648 -19.715 -16.668 1.00 0.00 H new ATOM 0 HH21 ARG A 39 11.471 -20.658 -13.387 1.00 0.00 H new ATOM 0 HH22 ARG A 39 11.556 -21.078 -15.101 1.00 0.00 H new ATOM 289 N ILE A 40 7.714 -15.410 -8.482 1.00 0.00 N ATOM 290 CA ILE A 40 6.902 -15.766 -7.307 1.00 0.00 C ATOM 291 C ILE A 40 5.721 -16.644 -7.734 1.00 0.00 C ATOM 292 O ILE A 40 5.247 -16.565 -8.871 1.00 0.00 O ATOM 293 CB ILE A 40 6.358 -14.493 -6.557 1.00 0.00 C ATOM 294 CG1 ILE A 40 5.474 -13.614 -7.509 1.00 0.00 C ATOM 295 CG2 ILE A 40 7.523 -13.674 -5.953 1.00 0.00 C ATOM 296 CD1 ILE A 40 4.840 -12.400 -6.861 1.00 0.00 C ATOM 0 H ILE A 40 7.440 -14.529 -8.917 1.00 0.00 H new ATOM 0 HA ILE A 40 7.548 -16.312 -6.620 1.00 0.00 H new ATOM 0 HB ILE A 40 5.724 -14.826 -5.736 1.00 0.00 H new ATOM 0 HG12 ILE A 40 6.089 -13.280 -8.345 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.683 -14.239 -7.925 1.00 0.00 H new ATOM 0 HG21 ILE A 40 7.125 -12.799 -5.439 1.00 0.00 H new ATOM 0 HG22 ILE A 40 8.073 -14.292 -5.243 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.194 -13.353 -6.750 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.250 -11.859 -7.601 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.193 -12.720 -6.044 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.620 -11.746 -6.471 1.00 0.00 H new ATOM 308 N VAL A 41 5.266 -17.491 -6.810 1.00 0.00 N ATOM 309 CA VAL A 41 4.149 -18.411 -7.025 1.00 0.00 C ATOM 310 C VAL A 41 3.225 -18.371 -5.801 1.00 0.00 C ATOM 311 O VAL A 41 3.672 -18.572 -4.664 1.00 0.00 O ATOM 312 CB VAL A 41 4.635 -19.886 -7.283 1.00 0.00 C ATOM 313 CG1 VAL A 41 3.440 -20.855 -7.367 1.00 0.00 C ATOM 314 CG2 VAL A 41 5.509 -19.986 -8.556 1.00 0.00 C ATOM 0 H VAL A 41 5.670 -17.558 -5.876 1.00 0.00 H new ATOM 0 HA VAL A 41 3.612 -18.089 -7.917 1.00 0.00 H new ATOM 0 HB VAL A 41 5.254 -20.176 -6.434 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.804 -21.867 -7.546 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.884 -20.830 -6.430 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.785 -20.555 -8.185 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.825 -21.019 -8.700 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.931 -19.659 -9.421 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.387 -19.350 -8.445 1.00 0.00 H new ATOM 324 N ILE A 42 1.942 -18.100 -6.055 1.00 0.00 N ATOM 325 CA ILE A 42 0.881 -18.115 -5.039 1.00 0.00 C ATOM 326 C ILE A 42 -0.132 -19.224 -5.383 1.00 0.00 C ATOM 327 O ILE A 42 -0.276 -19.601 -6.551 1.00 0.00 O ATOM 328 CB ILE A 42 0.146 -16.720 -4.952 1.00 0.00 C ATOM 329 CG1 ILE A 42 -0.468 -16.329 -6.340 1.00 0.00 C ATOM 330 CG2 ILE A 42 1.107 -15.618 -4.429 1.00 0.00 C ATOM 331 CD1 ILE A 42 -1.286 -15.052 -6.350 1.00 0.00 C ATOM 0 H ILE A 42 1.604 -17.860 -6.987 1.00 0.00 H new ATOM 0 HA ILE A 42 1.334 -18.312 -4.067 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.673 -16.810 -4.238 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.343 -16.227 -7.062 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.100 -17.148 -6.683 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.577 -14.667 -4.378 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.464 -15.888 -3.435 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.956 -15.524 -5.106 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.666 -14.871 -7.356 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.123 -15.151 -5.659 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.658 -14.215 -6.043 1.00 0.00 H new ATOM 343 N THR A 43 -0.800 -19.761 -4.355 1.00 0.00 N ATOM 344 CA THR A 43 -1.943 -20.679 -4.516 1.00 0.00 C ATOM 345 C THR A 43 -3.234 -19.997 -4.016 1.00 0.00 C ATOM 346 O THR A 43 -3.194 -18.971 -3.321 1.00 0.00 O ATOM 347 CB THR A 43 -1.709 -22.056 -3.780 1.00 0.00 C ATOM 348 OG1 THR A 43 -0.923 -21.855 -2.591 1.00 0.00 O ATOM 349 CG2 THR A 43 -1.035 -23.106 -4.688 1.00 0.00 C ATOM 0 H THR A 43 -0.564 -19.572 -3.381 1.00 0.00 H new ATOM 0 HA THR A 43 -2.045 -20.906 -5.577 1.00 0.00 H new ATOM 0 HB THR A 43 -2.691 -22.446 -3.511 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.785 -22.715 -2.141 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.898 -24.033 -4.132 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.665 -23.294 -5.557 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.065 -22.733 -5.017 1.00 0.00 H new ATOM 357 N GLY A 44 -4.366 -20.589 -4.396 1.00 0.00 N ATOM 358 CA GLY A 44 -5.693 -20.099 -4.044 1.00 0.00 C ATOM 359 C GLY A 44 -6.749 -21.128 -4.377 1.00 0.00 C ATOM 360 O GLY A 44 -6.417 -22.200 -4.876 1.00 0.00 O ATOM 0 H GLY A 44 -4.384 -21.435 -4.966 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.729 -19.865 -2.980 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -5.898 -19.173 -4.581 1.00 0.00 H new ATOM 364 N ARG A 45 -8.025 -20.826 -4.084 1.00 0.00 N ATOM 365 CA ARG A 45 -9.152 -21.735 -4.394 1.00 0.00 C ATOM 366 C ARG A 45 -10.491 -21.011 -4.273 1.00 0.00 C ATOM 367 O ARG A 45 -10.669 -20.189 -3.371 1.00 0.00 O ATOM 368 CB ARG A 45 -9.169 -23.022 -3.502 1.00 0.00 C ATOM 369 CG ARG A 45 -9.366 -22.829 -1.974 1.00 0.00 C ATOM 370 CD ARG A 45 -8.151 -22.193 -1.291 1.00 0.00 C ATOM 371 NE ARG A 45 -8.319 -22.050 0.163 1.00 0.00 N ATOM 372 CZ ARG A 45 -7.316 -21.831 1.025 1.00 0.00 C ATOM 373 NH1 ARG A 45 -6.059 -21.794 0.604 1.00 0.00 N ATOM 374 NH2 ARG A 45 -7.572 -21.682 2.314 1.00 0.00 N ATOM 0 H ARG A 45 -8.307 -19.957 -3.631 1.00 0.00 H new ATOM 0 HA ARG A 45 -9.000 -22.055 -5.425 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -9.965 -23.673 -3.865 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.229 -23.551 -3.656 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.242 -22.203 -1.802 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.570 -23.796 -1.514 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -7.269 -22.801 -1.491 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -7.968 -21.212 -1.728 1.00 0.00 H new ATOM 0 HE ARG A 45 -9.263 -22.122 0.541 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.848 -21.933 -0.384 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -5.303 -21.627 1.268 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.533 -21.734 2.652 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -6.809 -21.515 2.970 1.00 0.00 H new ATOM 388 N PHE A 46 -11.406 -21.311 -5.219 1.00 0.00 N ATOM 389 CA PHE A 46 -12.823 -20.875 -5.174 1.00 0.00 C ATOM 390 C PHE A 46 -12.930 -19.322 -5.190 1.00 0.00 C ATOM 391 O PHE A 46 -13.879 -18.732 -4.670 1.00 0.00 O ATOM 392 CB PHE A 46 -13.529 -21.524 -3.929 1.00 0.00 C ATOM 393 CG PHE A 46 -15.062 -21.537 -3.972 1.00 0.00 C ATOM 394 CD1 PHE A 46 -15.743 -22.367 -4.864 1.00 0.00 C ATOM 395 CD2 PHE A 46 -15.821 -20.730 -3.119 1.00 0.00 C ATOM 396 CE1 PHE A 46 -17.127 -22.386 -4.903 1.00 0.00 C ATOM 397 CE2 PHE A 46 -17.203 -20.752 -3.158 1.00 0.00 C ATOM 398 CZ PHE A 46 -17.856 -21.579 -4.047 1.00 0.00 C ATOM 0 H PHE A 46 -11.183 -21.868 -6.044 1.00 0.00 H new ATOM 0 HA PHE A 46 -13.343 -21.221 -6.068 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -13.177 -22.551 -3.828 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -13.212 -20.989 -3.034 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -15.183 -23.003 -5.533 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -15.320 -20.079 -2.418 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -17.638 -23.031 -5.602 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -17.772 -20.121 -2.491 1.00 0.00 H new ATOM 0 HZ PHE A 46 -18.935 -21.597 -4.075 1.00 0.00 H new ATOM 408 N ASN A 47 -11.940 -18.675 -5.833 1.00 0.00 N ATOM 409 CA ASN A 47 -11.794 -17.202 -5.851 1.00 0.00 C ATOM 410 C ASN A 47 -11.772 -16.677 -7.286 1.00 0.00 C ATOM 411 O ASN A 47 -11.645 -17.447 -8.249 1.00 0.00 O ATOM 412 CB ASN A 47 -10.487 -16.787 -5.116 1.00 0.00 C ATOM 413 CG ASN A 47 -10.511 -17.072 -3.613 1.00 0.00 C ATOM 414 OD1 ASN A 47 -11.546 -16.980 -2.967 1.00 0.00 O ATOM 415 ND2 ASN A 47 -9.371 -17.438 -3.052 1.00 0.00 N ATOM 0 H ASN A 47 -11.213 -19.160 -6.359 1.00 0.00 H new ATOM 0 HA ASN A 47 -12.650 -16.766 -5.336 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -9.645 -17.315 -5.564 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -10.315 -15.722 -5.272 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -9.339 -17.652 -2.055 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -8.524 -17.506 -3.616 1.00 0.00 H new ATOM 422 N ALA A 48 -11.889 -15.347 -7.401 1.00 0.00 N ATOM 423 CA ALA A 48 -11.823 -14.628 -8.672 1.00 0.00 C ATOM 424 C ALA A 48 -10.370 -14.223 -8.970 1.00 0.00 C ATOM 425 O ALA A 48 -9.501 -14.282 -8.081 1.00 0.00 O ATOM 426 CB ALA A 48 -12.746 -13.398 -8.619 1.00 0.00 C ATOM 0 H ALA A 48 -12.034 -14.735 -6.598 1.00 0.00 H new ATOM 0 HA ALA A 48 -12.164 -15.277 -9.479 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -12.695 -12.864 -9.568 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -13.772 -13.720 -8.439 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -12.426 -12.738 -7.813 1.00 0.00 H new ATOM 432 N ILE A 49 -10.115 -13.810 -10.226 1.00 0.00 N ATOM 433 CA ILE A 49 -8.778 -13.361 -10.669 1.00 0.00 C ATOM 434 C ILE A 49 -8.381 -12.055 -9.945 1.00 0.00 C ATOM 435 O ILE A 49 -7.209 -11.851 -9.654 1.00 0.00 O ATOM 436 CB ILE A 49 -8.686 -13.200 -12.245 1.00 0.00 C ATOM 437 CG1 ILE A 49 -7.254 -12.742 -12.722 1.00 0.00 C ATOM 438 CG2 ILE A 49 -9.780 -12.243 -12.773 1.00 0.00 C ATOM 439 CD1 ILE A 49 -6.101 -13.649 -12.287 1.00 0.00 C ATOM 0 H ILE A 49 -10.824 -13.778 -10.959 1.00 0.00 H new ATOM 0 HA ILE A 49 -8.065 -14.139 -10.397 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.860 -14.188 -12.672 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.254 -12.678 -13.810 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.067 -11.737 -12.344 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -9.692 -12.152 -13.856 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -10.763 -12.640 -12.521 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -9.657 -11.261 -12.315 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.160 -13.248 -12.665 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.065 -13.695 -11.199 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.255 -14.651 -12.688 1.00 0.00 H new ATOM 451 N GLY A 50 -9.383 -11.212 -9.614 1.00 0.00 N ATOM 452 CA GLY A 50 -9.157 -9.972 -8.853 1.00 0.00 C ATOM 453 C GLY A 50 -8.521 -10.221 -7.483 1.00 0.00 C ATOM 454 O GLY A 50 -7.720 -9.417 -7.004 1.00 0.00 O ATOM 0 H GLY A 50 -10.359 -11.372 -9.865 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -8.514 -9.309 -9.431 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -10.108 -9.456 -8.718 1.00 0.00 H new ATOM 458 N ASP A 51 -8.874 -11.358 -6.869 1.00 0.00 N ATOM 459 CA ASP A 51 -8.289 -11.804 -5.588 1.00 0.00 C ATOM 460 C ASP A 51 -6.815 -12.198 -5.776 1.00 0.00 C ATOM 461 O ASP A 51 -5.950 -11.797 -4.989 1.00 0.00 O ATOM 462 CB ASP A 51 -9.096 -12.990 -5.014 1.00 0.00 C ATOM 463 CG ASP A 51 -8.510 -13.542 -3.703 1.00 0.00 C ATOM 464 OD1 ASP A 51 -8.710 -12.908 -2.641 1.00 0.00 O ATOM 465 OD2 ASP A 51 -7.863 -14.609 -3.724 1.00 0.00 O ATOM 0 H ASP A 51 -9.574 -11.999 -7.243 1.00 0.00 H new ATOM 0 HA ASP A 51 -8.335 -10.977 -4.880 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.124 -12.672 -4.840 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -9.131 -13.790 -5.754 1.00 0.00 H new ATOM 470 N ALA A 52 -6.553 -12.988 -6.831 1.00 0.00 N ATOM 471 CA ALA A 52 -5.195 -13.459 -7.169 1.00 0.00 C ATOM 472 C ALA A 52 -4.261 -12.288 -7.526 1.00 0.00 C ATOM 473 O ALA A 52 -3.077 -12.321 -7.197 1.00 0.00 O ATOM 474 CB ALA A 52 -5.247 -14.468 -8.317 1.00 0.00 C ATOM 0 H ALA A 52 -7.273 -13.318 -7.473 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.788 -13.951 -6.286 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.237 -14.804 -8.552 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -5.855 -15.324 -8.022 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.686 -13.997 -9.196 1.00 0.00 H new ATOM 480 N VAL A 53 -4.813 -11.252 -8.186 1.00 0.00 N ATOM 481 CA VAL A 53 -4.058 -10.043 -8.566 1.00 0.00 C ATOM 482 C VAL A 53 -3.681 -9.235 -7.306 1.00 0.00 C ATOM 483 O VAL A 53 -2.555 -8.737 -7.200 1.00 0.00 O ATOM 484 CB VAL A 53 -4.845 -9.150 -9.602 1.00 0.00 C ATOM 485 CG1 VAL A 53 -4.141 -7.790 -9.856 1.00 0.00 C ATOM 486 CG2 VAL A 53 -5.042 -9.909 -10.939 1.00 0.00 C ATOM 0 H VAL A 53 -5.792 -11.230 -8.470 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.143 -10.365 -9.064 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.821 -8.938 -9.165 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.719 -7.210 -10.575 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -4.068 -7.237 -8.919 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.141 -7.966 -10.252 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.587 -9.276 -11.640 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -4.069 -10.163 -11.360 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.609 -10.822 -10.759 1.00 0.00 H new ATOM 496 N SER A 54 -4.619 -9.147 -6.348 1.00 0.00 N ATOM 497 CA SER A 54 -4.375 -8.497 -5.044 1.00 0.00 C ATOM 498 C SER A 54 -3.281 -9.242 -4.249 1.00 0.00 C ATOM 499 O SER A 54 -2.461 -8.620 -3.573 1.00 0.00 O ATOM 500 CB SER A 54 -5.681 -8.436 -4.225 1.00 0.00 C ATOM 501 OG SER A 54 -6.704 -7.757 -4.937 1.00 0.00 O ATOM 0 H SER A 54 -5.562 -9.521 -6.452 1.00 0.00 H new ATOM 0 HA SER A 54 -4.026 -7.481 -5.232 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.011 -9.447 -3.986 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.496 -7.929 -3.278 1.00 0.00 H new ATOM 0 HG SER A 54 -7.047 -8.337 -5.649 1.00 0.00 H new ATOM 507 N ALA A 55 -3.273 -10.577 -4.366 1.00 0.00 N ATOM 508 CA ALA A 55 -2.304 -11.432 -3.667 1.00 0.00 C ATOM 509 C ALA A 55 -0.890 -11.281 -4.263 1.00 0.00 C ATOM 510 O ALA A 55 0.081 -11.079 -3.531 1.00 0.00 O ATOM 511 CB ALA A 55 -2.774 -12.893 -3.707 1.00 0.00 C ATOM 0 H ALA A 55 -3.935 -11.093 -4.945 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.247 -11.114 -2.626 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.051 -13.522 -3.187 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -3.745 -12.976 -3.219 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.860 -13.219 -4.743 1.00 0.00 H new ATOM 517 N VAL A 56 -0.803 -11.339 -5.604 1.00 0.00 N ATOM 518 CA VAL A 56 0.485 -11.368 -6.334 1.00 0.00 C ATOM 519 C VAL A 56 1.178 -9.981 -6.355 1.00 0.00 C ATOM 520 O VAL A 56 2.411 -9.906 -6.386 1.00 0.00 O ATOM 521 CB VAL A 56 0.292 -11.921 -7.795 1.00 0.00 C ATOM 522 CG1 VAL A 56 -0.526 -10.962 -8.680 1.00 0.00 C ATOM 523 CG2 VAL A 56 1.634 -12.277 -8.461 1.00 0.00 C ATOM 0 H VAL A 56 -1.620 -11.367 -6.214 1.00 0.00 H new ATOM 0 HA VAL A 56 1.143 -12.047 -5.792 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.282 -12.842 -7.697 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.631 -11.388 -9.678 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.513 -10.815 -8.242 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.013 -10.003 -8.748 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.452 -12.654 -9.467 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.261 -11.387 -8.515 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.140 -13.042 -7.873 1.00 0.00 H new ATOM 533 N SER A 57 0.379 -8.894 -6.319 1.00 0.00 N ATOM 534 CA SER A 57 0.908 -7.512 -6.297 1.00 0.00 C ATOM 535 C SER A 57 1.588 -7.211 -4.947 1.00 0.00 C ATOM 536 O SER A 57 2.645 -6.581 -4.900 1.00 0.00 O ATOM 537 CB SER A 57 -0.225 -6.495 -6.577 1.00 0.00 C ATOM 538 OG SER A 57 -1.299 -6.653 -5.664 1.00 0.00 O ATOM 0 H SER A 57 -0.640 -8.947 -6.304 1.00 0.00 H new ATOM 0 HA SER A 57 1.657 -7.418 -7.083 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.168 -5.481 -6.506 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.589 -6.625 -7.596 1.00 0.00 H new ATOM 0 HG SER A 57 -1.904 -7.352 -5.989 1.00 0.00 H new ATOM 544 N ARG A 58 0.961 -7.681 -3.854 1.00 0.00 N ATOM 545 CA ARG A 58 1.497 -7.534 -2.484 1.00 0.00 C ATOM 546 C ARG A 58 2.697 -8.480 -2.282 1.00 0.00 C ATOM 547 O ARG A 58 3.677 -8.111 -1.634 1.00 0.00 O ATOM 548 CB ARG A 58 0.383 -7.799 -1.417 1.00 0.00 C ATOM 549 CG ARG A 58 -0.570 -6.597 -1.129 1.00 0.00 C ATOM 550 CD ARG A 58 -1.204 -5.989 -2.391 1.00 0.00 C ATOM 551 NE ARG A 58 -2.292 -5.039 -2.096 1.00 0.00 N ATOM 552 CZ ARG A 58 -3.208 -4.627 -2.986 1.00 0.00 C ATOM 553 NH1 ARG A 58 -3.174 -5.053 -4.244 1.00 0.00 N ATOM 554 NH2 ARG A 58 -4.175 -3.806 -2.605 1.00 0.00 N ATOM 0 H ARG A 58 0.069 -8.174 -3.893 1.00 0.00 H new ATOM 0 HA ARG A 58 1.841 -6.508 -2.352 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -0.218 -8.646 -1.747 1.00 0.00 H new ATOM 0 HB3 ARG A 58 0.861 -8.093 -0.483 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -1.363 -6.927 -0.459 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.012 -5.821 -0.605 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -0.432 -5.479 -2.968 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -1.592 -6.792 -3.018 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.353 -4.668 -1.148 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.446 -5.701 -4.543 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.876 -4.732 -4.910 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.222 -3.488 -1.637 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.872 -3.491 -3.280 1.00 0.00 H new ATOM 568 N ARG A 59 2.607 -9.683 -2.881 1.00 0.00 N ATOM 569 CA ARG A 59 3.654 -10.724 -2.789 1.00 0.00 C ATOM 570 C ARG A 59 4.962 -10.250 -3.459 1.00 0.00 C ATOM 571 O ARG A 59 6.059 -10.431 -2.911 1.00 0.00 O ATOM 572 CB ARG A 59 3.154 -12.053 -3.432 1.00 0.00 C ATOM 573 CG ARG A 59 4.134 -13.248 -3.310 1.00 0.00 C ATOM 574 CD ARG A 59 4.379 -13.681 -1.852 1.00 0.00 C ATOM 575 NE ARG A 59 5.628 -14.450 -1.717 1.00 0.00 N ATOM 576 CZ ARG A 59 6.812 -13.920 -1.349 1.00 0.00 C ATOM 577 NH1 ARG A 59 6.909 -12.642 -0.983 1.00 0.00 N ATOM 578 NH2 ARG A 59 7.902 -14.669 -1.333 1.00 0.00 N ATOM 0 H ARG A 59 1.804 -9.963 -3.445 1.00 0.00 H new ATOM 0 HA ARG A 59 3.864 -10.907 -1.735 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.207 -12.330 -2.968 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.952 -11.875 -4.488 1.00 0.00 H new ATOM 0 HG2 ARG A 59 3.738 -14.094 -3.872 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.086 -12.978 -3.768 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.423 -12.799 -1.213 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.540 -14.285 -1.505 1.00 0.00 H new ATOM 0 HE ARG A 59 5.595 -15.450 -1.915 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.079 -12.048 -0.978 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.813 -12.258 -0.708 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.849 -15.652 -1.600 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.795 -14.264 -1.054 1.00 0.00 H new ATOM 592 N ALA A 60 4.818 -9.629 -4.641 1.00 0.00 N ATOM 593 CA ALA A 60 5.946 -9.069 -5.412 1.00 0.00 C ATOM 594 C ALA A 60 6.530 -7.832 -4.713 1.00 0.00 C ATOM 595 O ALA A 60 7.743 -7.596 -4.753 1.00 0.00 O ATOM 596 CB ALA A 60 5.481 -8.722 -6.835 1.00 0.00 C ATOM 0 H ALA A 60 3.913 -9.499 -5.093 1.00 0.00 H new ATOM 0 HA ALA A 60 6.735 -9.819 -5.471 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.317 -8.309 -7.400 1.00 0.00 H new ATOM 0 HB2 ALA A 60 5.119 -9.623 -7.329 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.678 -7.987 -6.786 1.00 0.00 H new ATOM 602 N ASP A 61 5.643 -7.062 -4.059 1.00 0.00 N ATOM 603 CA ASP A 61 6.011 -5.839 -3.317 1.00 0.00 C ATOM 604 C ASP A 61 6.925 -6.188 -2.116 1.00 0.00 C ATOM 605 O ASP A 61 7.835 -5.426 -1.780 1.00 0.00 O ATOM 606 CB ASP A 61 4.728 -5.105 -2.846 1.00 0.00 C ATOM 607 CG ASP A 61 4.987 -3.709 -2.239 1.00 0.00 C ATOM 608 OD1 ASP A 61 4.986 -2.707 -2.989 1.00 0.00 O ATOM 609 OD2 ASP A 61 5.178 -3.599 -1.010 1.00 0.00 O ATOM 0 H ASP A 61 4.645 -7.270 -4.029 1.00 0.00 H new ATOM 0 HA ASP A 61 6.568 -5.174 -3.977 1.00 0.00 H new ATOM 0 HB2 ASP A 61 4.050 -5.001 -3.693 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.220 -5.723 -2.105 1.00 0.00 H new ATOM 614 N GLU A 62 6.672 -7.362 -1.488 1.00 0.00 N ATOM 615 CA GLU A 62 7.518 -7.907 -0.394 1.00 0.00 C ATOM 616 C GLU A 62 8.927 -8.228 -0.908 1.00 0.00 C ATOM 617 O GLU A 62 9.930 -7.994 -0.220 1.00 0.00 O ATOM 618 CB GLU A 62 6.883 -9.193 0.196 1.00 0.00 C ATOM 619 CG GLU A 62 5.492 -8.993 0.820 1.00 0.00 C ATOM 620 CD GLU A 62 4.815 -10.309 1.231 1.00 0.00 C ATOM 621 OE1 GLU A 62 4.720 -11.216 0.384 1.00 0.00 O ATOM 622 OE2 GLU A 62 4.344 -10.431 2.383 1.00 0.00 O ATOM 0 H GLU A 62 5.878 -7.958 -1.724 1.00 0.00 H new ATOM 0 HA GLU A 62 7.586 -7.148 0.386 1.00 0.00 H new ATOM 0 HB2 GLU A 62 6.808 -9.941 -0.594 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.552 -9.597 0.955 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.583 -8.351 1.696 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.853 -8.471 0.107 1.00 0.00 H new ATOM 629 N GLU A 63 8.980 -8.760 -2.141 1.00 0.00 N ATOM 630 CA GLU A 63 10.234 -9.131 -2.813 1.00 0.00 C ATOM 631 C GLU A 63 11.000 -7.894 -3.318 1.00 0.00 C ATOM 632 O GLU A 63 12.091 -8.027 -3.867 1.00 0.00 O ATOM 633 CB GLU A 63 9.933 -10.106 -3.985 1.00 0.00 C ATOM 634 CG GLU A 63 9.303 -11.437 -3.541 1.00 0.00 C ATOM 635 CD GLU A 63 10.168 -12.184 -2.510 1.00 0.00 C ATOM 636 OE1 GLU A 63 11.249 -12.692 -2.880 1.00 0.00 O ATOM 637 OE2 GLU A 63 9.791 -12.238 -1.317 1.00 0.00 O ATOM 0 H GLU A 63 8.148 -8.945 -2.702 1.00 0.00 H new ATOM 0 HA GLU A 63 10.874 -9.630 -2.085 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.262 -9.615 -4.690 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.860 -10.314 -4.519 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.319 -11.245 -3.114 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.153 -12.073 -4.413 1.00 0.00 H new ATOM 644 N GLY A 64 10.420 -6.694 -3.126 1.00 0.00 N ATOM 645 CA GLY A 64 11.052 -5.450 -3.553 1.00 0.00 C ATOM 646 C GLY A 64 11.010 -5.256 -5.063 1.00 0.00 C ATOM 647 O GLY A 64 11.854 -4.557 -5.634 1.00 0.00 O ATOM 0 H GLY A 64 9.513 -6.569 -2.676 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.554 -4.610 -3.069 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.089 -5.441 -3.219 1.00 0.00 H new ATOM 651 N ALA A 65 10.033 -5.910 -5.708 1.00 0.00 N ATOM 652 CA ALA A 65 9.785 -5.780 -7.144 1.00 0.00 C ATOM 653 C ALA A 65 8.942 -4.534 -7.410 1.00 0.00 C ATOM 654 O ALA A 65 7.902 -4.336 -6.773 1.00 0.00 O ATOM 655 CB ALA A 65 9.073 -7.027 -7.689 1.00 0.00 C ATOM 0 H ALA A 65 9.390 -6.548 -5.240 1.00 0.00 H new ATOM 0 HA ALA A 65 10.742 -5.684 -7.656 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.899 -6.908 -8.758 1.00 0.00 H new ATOM 0 HB2 ALA A 65 9.696 -7.905 -7.518 1.00 0.00 H new ATOM 0 HB3 ALA A 65 8.119 -7.154 -7.178 1.00 0.00 H new ATOM 661 N ALA A 66 9.418 -3.694 -8.337 1.00 0.00 N ATOM 662 CA ALA A 66 8.670 -2.534 -8.840 1.00 0.00 C ATOM 663 C ALA A 66 7.425 -3.000 -9.613 1.00 0.00 C ATOM 664 O ALA A 66 6.374 -2.345 -9.595 1.00 0.00 O ATOM 665 CB ALA A 66 9.573 -1.679 -9.744 1.00 0.00 C ATOM 0 H ALA A 66 10.339 -3.800 -8.762 1.00 0.00 H new ATOM 0 HA ALA A 66 8.346 -1.928 -7.994 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.011 -0.821 -10.113 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.434 -1.331 -9.173 1.00 0.00 H new ATOM 0 HB3 ALA A 66 9.915 -2.278 -10.588 1.00 0.00 H new ATOM 671 N SER A 67 7.572 -4.151 -10.290 1.00 0.00 N ATOM 672 CA SER A 67 6.519 -4.748 -11.109 1.00 0.00 C ATOM 673 C SER A 67 6.592 -6.283 -11.095 1.00 0.00 C ATOM 674 O SER A 67 7.630 -6.869 -10.772 1.00 0.00 O ATOM 675 CB SER A 67 6.617 -4.218 -12.559 1.00 0.00 C ATOM 676 OG SER A 67 6.382 -2.824 -12.619 1.00 0.00 O ATOM 0 H SER A 67 8.436 -4.694 -10.280 1.00 0.00 H new ATOM 0 HA SER A 67 5.557 -4.461 -10.683 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.605 -4.439 -12.962 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.893 -4.737 -13.187 1.00 0.00 H new ATOM 0 HG SER A 67 5.843 -2.617 -13.411 1.00 0.00 H new ATOM 682 N PHE A 68 5.458 -6.914 -11.430 1.00 0.00 N ATOM 683 CA PHE A 68 5.357 -8.361 -11.681 1.00 0.00 C ATOM 684 C PHE A 68 4.812 -8.582 -13.102 1.00 0.00 C ATOM 685 O PHE A 68 4.426 -7.627 -13.765 1.00 0.00 O ATOM 686 CB PHE A 68 4.450 -9.063 -10.617 1.00 0.00 C ATOM 687 CG PHE A 68 2.951 -8.719 -10.703 1.00 0.00 C ATOM 688 CD1 PHE A 68 2.428 -7.609 -10.045 1.00 0.00 C ATOM 689 CD2 PHE A 68 2.069 -9.509 -11.457 1.00 0.00 C ATOM 690 CE1 PHE A 68 1.081 -7.297 -10.138 1.00 0.00 C ATOM 691 CE2 PHE A 68 0.730 -9.190 -11.552 1.00 0.00 C ATOM 692 CZ PHE A 68 0.235 -8.085 -10.888 1.00 0.00 C ATOM 0 H PHE A 68 4.569 -6.426 -11.536 1.00 0.00 H new ATOM 0 HA PHE A 68 6.348 -8.808 -11.597 1.00 0.00 H new ATOM 0 HB2 PHE A 68 4.565 -10.142 -10.720 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.811 -8.797 -9.623 1.00 0.00 H new ATOM 0 HD1 PHE A 68 3.081 -6.983 -9.454 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.445 -10.381 -11.971 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.692 -6.432 -9.620 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.069 -9.804 -12.146 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.814 -7.839 -10.956 1.00 0.00 H new ATOM 702 N TYR A 69 4.769 -9.842 -13.545 1.00 0.00 N ATOM 703 CA TYR A 69 4.155 -10.232 -14.819 1.00 0.00 C ATOM 704 C TYR A 69 3.826 -11.731 -14.781 1.00 0.00 C ATOM 705 O TYR A 69 4.732 -12.559 -14.731 1.00 0.00 O ATOM 706 CB TYR A 69 5.087 -9.905 -16.023 1.00 0.00 C ATOM 707 CG TYR A 69 4.541 -10.375 -17.380 1.00 0.00 C ATOM 708 CD1 TYR A 69 3.568 -9.642 -18.060 1.00 0.00 C ATOM 709 CD2 TYR A 69 4.970 -11.576 -17.958 1.00 0.00 C ATOM 710 CE1 TYR A 69 3.042 -10.091 -19.256 1.00 0.00 C ATOM 711 CE2 TYR A 69 4.452 -12.021 -19.155 1.00 0.00 C ATOM 712 CZ TYR A 69 3.489 -11.280 -19.796 1.00 0.00 C ATOM 713 OH TYR A 69 2.957 -11.742 -20.977 1.00 0.00 O ATOM 0 H TYR A 69 5.162 -10.627 -13.026 1.00 0.00 H new ATOM 0 HA TYR A 69 3.237 -9.660 -14.956 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.250 -8.828 -16.062 1.00 0.00 H new ATOM 0 HB3 TYR A 69 6.059 -10.368 -15.854 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.220 -8.708 -17.644 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.722 -12.166 -17.455 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.285 -9.514 -19.766 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.801 -12.947 -19.587 1.00 0.00 H new ATOM 0 HH TYR A 69 3.383 -12.591 -21.218 1.00 0.00 H new ATOM 723 N VAL A 70 2.528 -12.062 -14.810 1.00 0.00 N ATOM 724 CA VAL A 70 2.050 -13.452 -14.816 1.00 0.00 C ATOM 725 C VAL A 70 2.450 -14.155 -16.134 1.00 0.00 C ATOM 726 O VAL A 70 2.062 -13.711 -17.220 1.00 0.00 O ATOM 727 CB VAL A 70 0.492 -13.519 -14.612 1.00 0.00 C ATOM 728 CG1 VAL A 70 -0.030 -14.982 -14.632 1.00 0.00 C ATOM 729 CG2 VAL A 70 0.072 -12.793 -13.308 1.00 0.00 C ATOM 0 H VAL A 70 1.777 -11.372 -14.830 1.00 0.00 H new ATOM 0 HA VAL A 70 2.522 -13.972 -13.982 1.00 0.00 H new ATOM 0 HB VAL A 70 0.030 -13.001 -15.452 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.110 -14.985 -14.488 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.209 -15.441 -15.591 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.444 -15.549 -13.831 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.010 -12.854 -13.190 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.557 -13.267 -12.455 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.373 -11.747 -13.361 1.00 0.00 H new ATOM 739 N VAL A 71 3.255 -15.231 -16.022 1.00 0.00 N ATOM 740 CA VAL A 71 3.646 -16.071 -17.176 1.00 0.00 C ATOM 741 C VAL A 71 2.621 -17.190 -17.401 1.00 0.00 C ATOM 742 O VAL A 71 2.305 -17.537 -18.547 1.00 0.00 O ATOM 743 CB VAL A 71 5.090 -16.693 -17.007 1.00 0.00 C ATOM 744 CG1 VAL A 71 5.233 -17.530 -15.709 1.00 0.00 C ATOM 745 CG2 VAL A 71 5.516 -17.516 -18.260 1.00 0.00 C ATOM 0 H VAL A 71 3.651 -15.542 -15.135 1.00 0.00 H new ATOM 0 HA VAL A 71 3.669 -15.417 -18.048 1.00 0.00 H new ATOM 0 HB VAL A 71 5.775 -15.850 -16.914 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.244 -17.933 -15.645 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.040 -16.896 -14.844 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.516 -18.351 -15.725 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.514 -17.926 -18.104 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.809 -18.331 -18.418 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.524 -16.867 -19.136 1.00 0.00 H new ATOM 755 N ASP A 72 2.078 -17.722 -16.296 1.00 0.00 N ATOM 756 CA ASP A 72 1.278 -18.955 -16.316 1.00 0.00 C ATOM 757 C ASP A 72 0.332 -18.998 -15.107 1.00 0.00 C ATOM 758 O ASP A 72 0.701 -18.577 -14.012 1.00 0.00 O ATOM 759 CB ASP A 72 2.237 -20.182 -16.300 1.00 0.00 C ATOM 760 CG ASP A 72 1.516 -21.538 -16.431 1.00 0.00 C ATOM 761 OD1 ASP A 72 1.297 -22.006 -17.569 1.00 0.00 O ATOM 762 OD2 ASP A 72 1.159 -22.138 -15.399 1.00 0.00 O ATOM 0 H ASP A 72 2.180 -17.312 -15.368 1.00 0.00 H new ATOM 0 HA ASP A 72 0.671 -18.981 -17.221 1.00 0.00 H new ATOM 0 HB2 ASP A 72 2.953 -20.082 -17.115 1.00 0.00 H new ATOM 0 HB3 ASP A 72 2.808 -20.173 -15.371 1.00 0.00 H new ATOM 767 N THR A 73 -0.897 -19.493 -15.326 1.00 0.00 N ATOM 768 CA THR A 73 -1.855 -19.794 -14.249 1.00 0.00 C ATOM 769 C THR A 73 -2.197 -21.299 -14.301 1.00 0.00 C ATOM 770 O THR A 73 -2.924 -21.754 -15.191 1.00 0.00 O ATOM 771 CB THR A 73 -3.158 -18.922 -14.368 1.00 0.00 C ATOM 772 OG1 THR A 73 -3.698 -19.012 -15.702 1.00 0.00 O ATOM 773 CG2 THR A 73 -2.906 -17.440 -14.023 1.00 0.00 C ATOM 0 H THR A 73 -1.256 -19.697 -16.259 1.00 0.00 H new ATOM 0 HA THR A 73 -1.399 -19.548 -13.290 1.00 0.00 H new ATOM 0 HB THR A 73 -3.871 -19.319 -13.645 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.668 -19.944 -16.005 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.836 -16.880 -14.120 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.541 -17.362 -12.999 1.00 0.00 H new ATOM 0 HG23 THR A 73 -2.162 -17.029 -14.706 1.00 0.00 H new ATOM 781 N SER A 74 -1.618 -22.064 -13.364 1.00 0.00 N ATOM 782 CA SER A 74 -1.891 -23.501 -13.196 1.00 0.00 C ATOM 783 C SER A 74 -3.143 -23.710 -12.321 1.00 0.00 C ATOM 784 O SER A 74 -3.738 -22.749 -11.816 1.00 0.00 O ATOM 785 CB SER A 74 -0.672 -24.198 -12.548 1.00 0.00 C ATOM 786 OG SER A 74 0.535 -23.893 -13.223 1.00 0.00 O ATOM 0 H SER A 74 -0.940 -21.700 -12.694 1.00 0.00 H new ATOM 0 HA SER A 74 -2.073 -23.939 -14.177 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.591 -23.892 -11.505 1.00 0.00 H new ATOM 0 HB3 SER A 74 -0.827 -25.277 -12.552 1.00 0.00 H new ATOM 0 HG SER A 74 0.339 -23.351 -14.015 1.00 0.00 H new ATOM 792 N GLU A 75 -3.513 -24.984 -12.141 1.00 0.00 N ATOM 793 CA GLU A 75 -4.640 -25.399 -11.304 1.00 0.00 C ATOM 794 C GLU A 75 -4.510 -26.881 -10.921 1.00 0.00 C ATOM 795 O GLU A 75 -3.683 -27.609 -11.482 1.00 0.00 O ATOM 796 CB GLU A 75 -6.001 -25.043 -11.990 1.00 0.00 C ATOM 797 CG GLU A 75 -6.141 -25.452 -13.478 1.00 0.00 C ATOM 798 CD GLU A 75 -6.402 -26.947 -13.687 1.00 0.00 C ATOM 799 OE1 GLU A 75 -7.499 -27.402 -13.314 1.00 0.00 O ATOM 800 OE2 GLU A 75 -5.511 -27.673 -14.183 1.00 0.00 O ATOM 0 H GLU A 75 -3.028 -25.766 -12.581 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.621 -24.841 -10.368 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.804 -25.518 -11.426 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.152 -23.966 -11.914 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -6.957 -24.884 -13.926 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.230 -25.174 -14.009 1.00 0.00 H new ATOM 866 N ASN A 81 -9.103 -25.393 -6.535 1.00 0.00 N ATOM 867 CA ASN A 81 -7.751 -24.906 -6.225 1.00 0.00 C ATOM 868 C ASN A 81 -6.984 -24.567 -7.518 1.00 0.00 C ATOM 869 O ASN A 81 -7.042 -25.322 -8.499 1.00 0.00 O ATOM 870 CB ASN A 81 -6.970 -25.945 -5.372 1.00 0.00 C ATOM 871 CG ASN A 81 -5.643 -25.399 -4.828 1.00 0.00 C ATOM 872 OD1 ASN A 81 -5.576 -24.889 -3.710 1.00 0.00 O ATOM 873 ND2 ASN A 81 -4.584 -25.477 -5.623 1.00 0.00 N ATOM 0 HA ASN A 81 -7.845 -23.993 -5.638 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.594 -26.264 -4.538 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -6.772 -26.829 -5.978 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -3.685 -25.109 -5.312 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -4.669 -25.905 -6.545 1.00 0.00 H new ATOM 880 N TRP A 82 -6.271 -23.433 -7.493 1.00 0.00 N ATOM 881 CA TRP A 82 -5.443 -22.952 -8.602 1.00 0.00 C ATOM 882 C TRP A 82 -4.169 -22.277 -8.074 1.00 0.00 C ATOM 883 O TRP A 82 -4.002 -22.101 -6.864 1.00 0.00 O ATOM 884 CB TRP A 82 -6.255 -22.035 -9.570 1.00 0.00 C ATOM 885 CG TRP A 82 -6.911 -20.812 -8.956 1.00 0.00 C ATOM 886 CD1 TRP A 82 -7.691 -20.745 -7.830 1.00 0.00 C ATOM 887 CD2 TRP A 82 -6.898 -19.483 -9.497 1.00 0.00 C ATOM 888 NE1 TRP A 82 -8.124 -19.458 -7.626 1.00 0.00 N ATOM 889 CE2 TRP A 82 -7.656 -18.667 -8.638 1.00 0.00 C ATOM 890 CE3 TRP A 82 -6.301 -18.907 -10.621 1.00 0.00 C ATOM 891 CZ2 TRP A 82 -7.844 -17.309 -8.873 1.00 0.00 C ATOM 892 CZ3 TRP A 82 -6.487 -17.562 -10.854 1.00 0.00 C ATOM 893 CH2 TRP A 82 -7.252 -16.776 -9.985 1.00 0.00 C ATOM 0 H TRP A 82 -6.255 -22.813 -6.683 1.00 0.00 H new ATOM 0 HA TRP A 82 -5.129 -23.812 -9.194 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -5.587 -21.701 -10.364 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -7.032 -22.638 -10.040 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -7.931 -21.585 -7.194 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -8.701 -19.143 -6.846 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -5.705 -19.505 -11.295 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -8.434 -16.700 -8.204 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -6.035 -17.106 -11.722 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -7.378 -15.725 -10.197 1.00 0.00 H new ATOM 904 N ARG A 83 -3.272 -21.913 -9.000 1.00 0.00 N ATOM 905 CA ARG A 83 -1.882 -21.533 -8.691 1.00 0.00 C ATOM 906 C ARG A 83 -1.377 -20.560 -9.766 1.00 0.00 C ATOM 907 O ARG A 83 -1.356 -20.900 -10.938 1.00 0.00 O ATOM 908 CB ARG A 83 -1.034 -22.847 -8.612 1.00 0.00 C ATOM 909 CG ARG A 83 0.514 -22.719 -8.458 1.00 0.00 C ATOM 910 CD ARG A 83 1.272 -22.723 -9.811 1.00 0.00 C ATOM 911 NE ARG A 83 2.707 -23.054 -9.662 1.00 0.00 N ATOM 912 CZ ARG A 83 3.492 -23.597 -10.613 1.00 0.00 C ATOM 913 NH1 ARG A 83 2.997 -23.968 -11.789 1.00 0.00 N ATOM 914 NH2 ARG A 83 4.783 -23.765 -10.379 1.00 0.00 N ATOM 0 H ARG A 83 -3.491 -21.873 -9.996 1.00 0.00 H new ATOM 0 HA ARG A 83 -1.801 -21.017 -7.734 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.405 -23.432 -7.770 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.232 -23.425 -9.514 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.743 -21.796 -7.925 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.879 -23.542 -7.843 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.805 -23.444 -10.482 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.176 -21.743 -10.279 1.00 0.00 H new ATOM 0 HE ARG A 83 3.140 -22.853 -8.760 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.004 -23.844 -11.986 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.610 -24.377 -12.494 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.180 -23.484 -9.482 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.382 -24.176 -11.095 1.00 0.00 H new ATOM 928 N VAL A 84 -0.987 -19.344 -9.355 1.00 0.00 N ATOM 929 CA VAL A 84 -0.502 -18.294 -10.276 1.00 0.00 C ATOM 930 C VAL A 84 1.030 -18.143 -10.160 1.00 0.00 C ATOM 931 O VAL A 84 1.568 -18.059 -9.052 1.00 0.00 O ATOM 932 CB VAL A 84 -1.201 -16.911 -9.981 1.00 0.00 C ATOM 933 CG1 VAL A 84 -0.723 -15.813 -10.962 1.00 0.00 C ATOM 934 CG2 VAL A 84 -2.746 -17.053 -10.000 1.00 0.00 C ATOM 0 H VAL A 84 -0.997 -19.057 -8.376 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.756 -18.597 -11.292 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.908 -16.599 -8.979 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.225 -14.874 -10.730 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.355 -15.682 -10.865 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.962 -16.109 -11.984 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.203 -16.085 -9.794 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.067 -17.404 -10.981 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.055 -17.770 -9.239 1.00 0.00 H new ATOM 944 N VAL A 85 1.714 -18.124 -11.320 1.00 0.00 N ATOM 945 CA VAL A 85 3.168 -17.867 -11.424 1.00 0.00 C ATOM 946 C VAL A 85 3.379 -16.495 -12.076 1.00 0.00 C ATOM 947 O VAL A 85 2.838 -16.244 -13.164 1.00 0.00 O ATOM 948 CB VAL A 85 3.899 -18.955 -12.298 1.00 0.00 C ATOM 949 CG1 VAL A 85 5.444 -18.796 -12.235 1.00 0.00 C ATOM 950 CG2 VAL A 85 3.464 -20.374 -11.893 1.00 0.00 C ATOM 0 H VAL A 85 1.270 -18.288 -12.223 1.00 0.00 H new ATOM 0 HA VAL A 85 3.589 -17.901 -10.419 1.00 0.00 H new ATOM 0 HB VAL A 85 3.601 -18.799 -13.335 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.914 -19.564 -12.850 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.724 -17.811 -12.608 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.779 -18.902 -11.203 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.984 -21.105 -12.512 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.711 -20.545 -10.845 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.388 -20.479 -12.034 1.00 0.00 H new ATOM 960 N ALA A 86 4.173 -15.625 -11.432 1.00 0.00 N ATOM 961 CA ALA A 86 4.456 -14.271 -11.931 1.00 0.00 C ATOM 962 C ALA A 86 5.938 -13.913 -11.758 1.00 0.00 C ATOM 963 O ALA A 86 6.482 -13.990 -10.659 1.00 0.00 O ATOM 964 CB ALA A 86 3.570 -13.237 -11.223 1.00 0.00 C ATOM 0 H ALA A 86 4.637 -15.841 -10.550 1.00 0.00 H new ATOM 0 HA ALA A 86 4.227 -14.255 -12.997 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.795 -12.242 -11.606 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.521 -13.469 -11.408 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.764 -13.265 -10.151 1.00 0.00 H new ATOM 970 N ASP A 87 6.564 -13.538 -12.873 1.00 0.00 N ATOM 971 CA ASP A 87 7.923 -12.982 -12.937 1.00 0.00 C ATOM 972 C ASP A 87 7.986 -11.653 -12.166 1.00 0.00 C ATOM 973 O ASP A 87 7.079 -10.846 -12.296 1.00 0.00 O ATOM 974 CB ASP A 87 8.286 -12.732 -14.425 1.00 0.00 C ATOM 975 CG ASP A 87 8.168 -13.980 -15.327 1.00 0.00 C ATOM 976 OD1 ASP A 87 7.038 -14.463 -15.536 1.00 0.00 O ATOM 977 OD2 ASP A 87 9.191 -14.472 -15.843 1.00 0.00 O ATOM 0 H ASP A 87 6.127 -13.614 -13.791 1.00 0.00 H new ATOM 0 HA ASP A 87 8.627 -13.683 -12.489 1.00 0.00 H new ATOM 0 HB2 ASP A 87 7.636 -11.951 -14.819 1.00 0.00 H new ATOM 0 HB3 ASP A 87 9.307 -12.354 -14.479 1.00 0.00 H new ATOM 982 N VAL A 88 9.043 -11.426 -11.373 1.00 0.00 N ATOM 983 CA VAL A 88 9.205 -10.180 -10.587 1.00 0.00 C ATOM 984 C VAL A 88 10.448 -9.392 -11.050 1.00 0.00 C ATOM 985 O VAL A 88 11.509 -9.976 -11.302 1.00 0.00 O ATOM 986 CB VAL A 88 9.245 -10.471 -9.039 1.00 0.00 C ATOM 987 CG1 VAL A 88 7.858 -10.921 -8.539 1.00 0.00 C ATOM 988 CG2 VAL A 88 10.318 -11.520 -8.666 1.00 0.00 C ATOM 0 H VAL A 88 9.807 -12.091 -11.254 1.00 0.00 H new ATOM 0 HA VAL A 88 8.330 -9.556 -10.771 1.00 0.00 H new ATOM 0 HB VAL A 88 9.519 -9.539 -8.545 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.904 -11.118 -7.468 1.00 0.00 H new ATOM 0 HG12 VAL A 88 7.129 -10.134 -8.733 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.560 -11.829 -9.062 1.00 0.00 H new ATOM 0 HG21 VAL A 88 10.306 -11.686 -7.589 1.00 0.00 H new ATOM 0 HG22 VAL A 88 10.105 -12.457 -9.180 1.00 0.00 H new ATOM 0 HG23 VAL A 88 11.301 -11.157 -8.966 1.00 0.00 H new ATOM 998 N TYR A 89 10.291 -8.052 -11.147 1.00 0.00 N ATOM 999 CA TYR A 89 11.273 -7.127 -11.768 1.00 0.00 C ATOM 1000 C TYR A 89 11.510 -5.923 -10.833 1.00 0.00 C ATOM 1001 O TYR A 89 10.545 -5.360 -10.309 1.00 0.00 O ATOM 1002 CB TYR A 89 10.735 -6.563 -13.124 1.00 0.00 C ATOM 1003 CG TYR A 89 10.187 -7.596 -14.119 1.00 0.00 C ATOM 1004 CD1 TYR A 89 8.900 -8.120 -13.964 1.00 0.00 C ATOM 1005 CD2 TYR A 89 10.934 -8.025 -15.219 1.00 0.00 C ATOM 1006 CE1 TYR A 89 8.391 -9.032 -14.856 1.00 0.00 C ATOM 1007 CE2 TYR A 89 10.420 -8.940 -16.113 1.00 0.00 C ATOM 1008 CZ TYR A 89 9.151 -9.438 -15.927 1.00 0.00 C ATOM 1009 OH TYR A 89 8.634 -10.350 -16.819 1.00 0.00 O ATOM 0 H TYR A 89 9.464 -7.572 -10.790 1.00 0.00 H new ATOM 0 HA TYR A 89 12.193 -7.687 -11.938 1.00 0.00 H new ATOM 0 HB2 TYR A 89 9.945 -5.844 -12.907 1.00 0.00 H new ATOM 0 HB3 TYR A 89 11.541 -6.013 -13.610 1.00 0.00 H new ATOM 0 HD1 TYR A 89 8.295 -7.802 -13.128 1.00 0.00 H new ATOM 0 HD2 TYR A 89 11.929 -7.634 -15.371 1.00 0.00 H new ATOM 0 HE1 TYR A 89 7.396 -9.429 -14.716 1.00 0.00 H new ATOM 0 HE2 TYR A 89 11.011 -9.265 -16.956 1.00 0.00 H new ATOM 0 HH TYR A 89 9.294 -10.533 -17.520 1.00 0.00 H new ATOM 1019 N LYS A 90 12.777 -5.511 -10.646 1.00 0.00 N ATOM 1020 CA LYS A 90 13.111 -4.238 -9.968 1.00 0.00 C ATOM 1021 C LYS A 90 13.385 -3.168 -11.039 1.00 0.00 C ATOM 1022 O LYS A 90 14.050 -3.456 -12.036 1.00 0.00 O ATOM 1023 CB LYS A 90 14.348 -4.397 -9.040 1.00 0.00 C ATOM 1024 CG LYS A 90 14.168 -5.435 -7.912 1.00 0.00 C ATOM 1025 CD LYS A 90 15.369 -5.488 -6.938 1.00 0.00 C ATOM 1026 CE LYS A 90 15.248 -6.616 -5.895 1.00 0.00 C ATOM 1027 NZ LYS A 90 14.007 -6.516 -5.084 1.00 0.00 N ATOM 0 H LYS A 90 13.592 -6.041 -10.955 1.00 0.00 H new ATOM 0 HA LYS A 90 12.270 -3.938 -9.342 1.00 0.00 H new ATOM 0 HB2 LYS A 90 15.208 -4.682 -9.646 1.00 0.00 H new ATOM 0 HB3 LYS A 90 14.579 -3.430 -8.594 1.00 0.00 H new ATOM 0 HG2 LYS A 90 13.263 -5.200 -7.351 1.00 0.00 H new ATOM 0 HG3 LYS A 90 14.022 -6.421 -8.354 1.00 0.00 H new ATOM 0 HD2 LYS A 90 16.287 -5.625 -7.509 1.00 0.00 H new ATOM 0 HD3 LYS A 90 15.454 -4.531 -6.423 1.00 0.00 H new ATOM 0 HE2 LYS A 90 15.268 -7.580 -6.404 1.00 0.00 H new ATOM 0 HE3 LYS A 90 16.113 -6.587 -5.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 14.256 -6.432 -4.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 13.466 -5.678 -5.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 13.429 -7.369 -5.227 1.00 0.00 H new ATOM 1041 N ALA A 91 12.854 -1.948 -10.846 1.00 0.00 N ATOM 1042 CA ALA A 91 13.088 -0.830 -11.775 1.00 0.00 C ATOM 1043 C ALA A 91 14.437 -0.145 -11.441 1.00 0.00 C ATOM 1044 O ALA A 91 14.525 0.517 -10.380 1.00 0.00 O ATOM 1045 CB ALA A 91 11.921 0.173 -11.736 1.00 0.00 C ATOM 1046 OXT ALA A 91 15.407 -0.291 -12.218 1.00 0.00 O ATOM 0 H ALA A 91 12.258 -1.711 -10.053 1.00 0.00 H new ATOM 0 HA ALA A 91 13.142 -1.220 -12.791 1.00 0.00 H new ATOM 0 HB1 ALA A 91 12.119 0.989 -12.431 1.00 0.00 H new ATOM 0 HB2 ALA A 91 10.998 -0.331 -12.022 1.00 0.00 H new ATOM 0 HB3 ALA A 91 11.818 0.573 -10.727 1.00 0.00 H new