USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 722 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 22 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 74 ASN : amide:sc= -0.0145 X(o=-0.014,f=-0.00038) USER MOD Set 2.1: A 67 TYR OH : rot 150:sc= 0 USER MOD Set 2.2: A 77 THR OG1 : rot -85:sc= 0.981 USER MOD Single : A 1 GLY N :NH3+ -128:sc= 0.0506 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc=-0.00183 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.495 K(o=-0.5,f=-4.8!) USER MOD Single : A 13 THR OG1 : rot 140:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.17 K(o=-0.17,f=-0.86) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= -0.176 USER MOD Single : A 43 MET CE :methyl -154:sc= -0.342 (180deg=-1.15) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS : no HE2:sc= -1.05 K(o=-1,f=-6!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -110:sc= -0.0225 USER MOD Single : A 58 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.264) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -159:sc= 0.623 (180deg=0.324) USER MOD Single : A 72 GLN : amide:sc= -0.0166 X(o=-0.017,f=0) USER MOD Single : A 76 HIS : no HD1:sc= -4.13! C(o=-4.1!,f=-5.7!) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 31:sc= 0.134 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.979 20.035 0.862 1.00 0.00 N ATOM 2 CA GLY A 1 9.064 21.224 1.694 1.00 0.00 C ATOM 3 C GLY A 1 9.953 20.977 2.914 1.00 0.00 C ATOM 4 O GLY A 1 10.848 20.134 2.874 1.00 0.00 O ATOM 0 H1 GLY A 1 9.213 20.282 -0.121 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.650 19.320 1.209 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.013 19.651 0.902 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.464 22.053 1.110 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.066 21.516 2.020 1.00 0.00 H new ATOM 8 N SER A 2 9.675 21.726 3.970 1.00 0.00 N ATOM 9 CA SER A 2 10.438 21.599 5.200 1.00 0.00 C ATOM 10 C SER A 2 9.498 21.318 6.373 1.00 0.00 C ATOM 11 O SER A 2 8.289 21.518 6.266 1.00 0.00 O ATOM 12 CB SER A 2 11.261 22.861 5.471 1.00 0.00 C ATOM 13 OG SER A 2 12.650 22.573 5.605 1.00 0.00 O ATOM 0 H SER A 2 8.931 22.424 4.000 1.00 0.00 H new ATOM 0 HA SER A 2 11.129 20.764 5.088 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.115 23.571 4.657 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.901 23.341 6.381 1.00 0.00 H new ATOM 0 HG SER A 2 13.141 23.404 5.775 1.00 0.00 H new ATOM 19 N SER A 3 10.088 20.857 7.467 1.00 0.00 N ATOM 20 CA SER A 3 9.318 20.546 8.659 1.00 0.00 C ATOM 21 C SER A 3 10.143 20.853 9.910 1.00 0.00 C ATOM 22 O SER A 3 9.734 21.656 10.746 1.00 0.00 O ATOM 23 CB SER A 3 8.874 19.082 8.661 1.00 0.00 C ATOM 24 OG SER A 3 7.455 18.954 8.625 1.00 0.00 O ATOM 0 H SER A 3 11.091 20.692 7.552 1.00 0.00 H new ATOM 0 HA SER A 3 8.423 21.169 8.661 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.306 18.571 7.800 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.260 18.587 9.552 1.00 0.00 H new ATOM 0 HG SER A 3 7.212 18.005 8.626 1.00 0.00 H new ATOM 30 N GLY A 4 11.291 20.196 9.999 1.00 0.00 N ATOM 31 CA GLY A 4 12.177 20.388 11.134 1.00 0.00 C ATOM 32 C GLY A 4 13.641 20.405 10.690 1.00 0.00 C ATOM 33 O GLY A 4 13.953 20.845 9.584 1.00 0.00 O ATOM 0 H GLY A 4 11.627 19.530 9.303 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.934 21.325 11.635 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.023 19.589 11.860 1.00 0.00 H new ATOM 37 N SER A 5 14.500 19.921 11.574 1.00 0.00 N ATOM 38 CA SER A 5 15.924 19.875 11.287 1.00 0.00 C ATOM 39 C SER A 5 16.452 18.453 11.483 1.00 0.00 C ATOM 40 O SER A 5 16.985 17.851 10.552 1.00 0.00 O ATOM 41 CB SER A 5 16.696 20.855 12.173 1.00 0.00 C ATOM 42 OG SER A 5 16.336 20.731 13.546 1.00 0.00 O ATOM 0 H SER A 5 14.238 19.557 12.490 1.00 0.00 H new ATOM 0 HA SER A 5 16.073 20.171 10.249 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.766 20.679 12.061 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.504 21.875 11.839 1.00 0.00 H new ATOM 0 HG SER A 5 16.852 21.372 14.079 1.00 0.00 H new ATOM 48 N SER A 6 16.284 17.956 12.700 1.00 0.00 N ATOM 49 CA SER A 6 16.737 16.615 13.030 1.00 0.00 C ATOM 50 C SER A 6 16.043 15.592 12.129 1.00 0.00 C ATOM 51 O SER A 6 15.028 15.897 11.504 1.00 0.00 O ATOM 52 CB SER A 6 16.475 16.292 14.502 1.00 0.00 C ATOM 53 OG SER A 6 17.549 16.708 15.340 1.00 0.00 O ATOM 0 H SER A 6 15.841 18.458 13.469 1.00 0.00 H new ATOM 0 HA SER A 6 17.813 16.566 12.862 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.555 16.781 14.822 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.321 15.219 14.616 1.00 0.00 H new ATOM 0 HG SER A 6 17.342 16.485 16.272 1.00 0.00 H new ATOM 59 N GLY A 7 16.616 14.398 12.092 1.00 0.00 N ATOM 60 CA GLY A 7 16.065 13.328 11.278 1.00 0.00 C ATOM 61 C GLY A 7 17.148 12.688 10.407 1.00 0.00 C ATOM 62 O GLY A 7 18.331 12.743 10.740 1.00 0.00 O ATOM 0 H GLY A 7 17.457 14.148 12.613 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.616 12.571 11.921 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.269 13.721 10.645 1.00 0.00 H new ATOM 66 N VAL A 8 16.705 12.095 9.309 1.00 0.00 N ATOM 67 CA VAL A 8 17.621 11.444 8.387 1.00 0.00 C ATOM 68 C VAL A 8 18.146 12.474 7.385 1.00 0.00 C ATOM 69 O VAL A 8 17.648 13.597 7.325 1.00 0.00 O ATOM 70 CB VAL A 8 16.932 10.255 7.716 1.00 0.00 C ATOM 71 CG1 VAL A 8 16.273 9.345 8.755 1.00 0.00 C ATOM 72 CG2 VAL A 8 15.914 10.726 6.676 1.00 0.00 C ATOM 0 H VAL A 8 15.723 12.051 9.036 1.00 0.00 H new ATOM 0 HA VAL A 8 18.481 11.043 8.923 1.00 0.00 H new ATOM 0 HB VAL A 8 17.696 9.675 7.198 1.00 0.00 H new ATOM 0 HG11 VAL A 8 15.790 8.508 8.251 1.00 0.00 H new ATOM 0 HG12 VAL A 8 17.031 8.968 9.441 1.00 0.00 H new ATOM 0 HG13 VAL A 8 15.527 9.911 9.314 1.00 0.00 H new ATOM 0 HG21 VAL A 8 15.439 9.861 6.214 1.00 0.00 H new ATOM 0 HG22 VAL A 8 15.156 11.340 7.161 1.00 0.00 H new ATOM 0 HG23 VAL A 8 16.421 11.313 5.910 1.00 0.00 H new ATOM 82 N SER A 9 19.146 12.055 6.624 1.00 0.00 N ATOM 83 CA SER A 9 19.744 12.927 5.627 1.00 0.00 C ATOM 84 C SER A 9 18.658 13.748 4.930 1.00 0.00 C ATOM 85 O SER A 9 18.675 14.977 4.980 1.00 0.00 O ATOM 86 CB SER A 9 20.543 12.123 4.600 1.00 0.00 C ATOM 87 OG SER A 9 21.898 12.557 4.518 1.00 0.00 O ATOM 0 H SER A 9 19.557 11.123 6.678 1.00 0.00 H new ATOM 0 HA SER A 9 20.432 13.603 6.134 1.00 0.00 H new ATOM 0 HB2 SER A 9 20.516 11.066 4.867 1.00 0.00 H new ATOM 0 HB3 SER A 9 20.073 12.217 3.621 1.00 0.00 H new ATOM 0 HG SER A 9 22.375 12.018 3.853 1.00 0.00 H new ATOM 93 N SER A 10 17.738 13.036 4.296 1.00 0.00 N ATOM 94 CA SER A 10 16.646 13.683 3.590 1.00 0.00 C ATOM 95 C SER A 10 15.633 12.637 3.119 1.00 0.00 C ATOM 96 O SER A 10 15.914 11.864 2.204 1.00 0.00 O ATOM 97 CB SER A 10 17.163 14.494 2.400 1.00 0.00 C ATOM 98 OG SER A 10 16.295 15.576 2.073 1.00 0.00 O ATOM 0 H SER A 10 17.727 12.017 4.257 1.00 0.00 H new ATOM 0 HA SER A 10 16.155 14.371 4.278 1.00 0.00 H new ATOM 0 HB2 SER A 10 18.155 14.882 2.630 1.00 0.00 H new ATOM 0 HB3 SER A 10 17.269 13.840 1.534 1.00 0.00 H new ATOM 0 HG SER A 10 16.661 16.070 1.310 1.00 0.00 H new ATOM 104 N GLN A 11 14.477 12.645 3.767 1.00 0.00 N ATOM 105 CA GLN A 11 13.422 11.706 3.426 1.00 0.00 C ATOM 106 C GLN A 11 12.844 12.034 2.048 1.00 0.00 C ATOM 107 O GLN A 11 11.933 12.852 1.932 1.00 0.00 O ATOM 108 CB GLN A 11 12.326 11.703 4.494 1.00 0.00 C ATOM 109 CG GLN A 11 12.591 10.626 5.548 1.00 0.00 C ATOM 110 CD GLN A 11 11.503 9.551 5.520 1.00 0.00 C ATOM 111 OE1 GLN A 11 10.559 9.607 4.750 1.00 0.00 O ATOM 112 NE2 GLN A 11 11.688 8.571 6.400 1.00 0.00 N ATOM 0 H GLN A 11 14.248 13.287 4.526 1.00 0.00 H new ATOM 0 HA GLN A 11 13.851 10.705 3.389 1.00 0.00 H new ATOM 0 HB2 GLN A 11 12.277 12.681 4.973 1.00 0.00 H new ATOM 0 HB3 GLN A 11 11.357 11.528 4.026 1.00 0.00 H new ATOM 0 HG2 GLN A 11 13.564 10.168 5.369 1.00 0.00 H new ATOM 0 HG3 GLN A 11 12.631 11.082 6.537 1.00 0.00 H new ATOM 0 HE21 GLN A 11 12.501 8.585 7.016 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.017 7.805 6.459 1.00 0.00 H new ATOM 121 N GLU A 12 13.398 11.379 1.038 1.00 0.00 N ATOM 122 CA GLU A 12 12.949 11.591 -0.327 1.00 0.00 C ATOM 123 C GLU A 12 11.682 10.778 -0.601 1.00 0.00 C ATOM 124 O GLU A 12 11.731 9.756 -1.284 1.00 0.00 O ATOM 125 CB GLU A 12 14.052 11.240 -1.328 1.00 0.00 C ATOM 126 CG GLU A 12 14.806 12.495 -1.774 1.00 0.00 C ATOM 127 CD GLU A 12 16.292 12.196 -1.983 1.00 0.00 C ATOM 128 OE1 GLU A 12 16.578 11.161 -2.623 1.00 0.00 O ATOM 129 OE2 GLU A 12 17.108 13.010 -1.499 1.00 0.00 O ATOM 0 H GLU A 12 14.154 10.701 1.138 1.00 0.00 H new ATOM 0 HA GLU A 12 12.714 12.648 -0.451 1.00 0.00 H new ATOM 0 HB2 GLU A 12 14.748 10.535 -0.875 1.00 0.00 H new ATOM 0 HB3 GLU A 12 13.617 10.745 -2.196 1.00 0.00 H new ATOM 0 HG2 GLU A 12 14.374 12.874 -2.700 1.00 0.00 H new ATOM 0 HG3 GLU A 12 14.691 13.278 -1.025 1.00 0.00 H new ATOM 136 N THR A 13 10.577 11.263 -0.055 1.00 0.00 N ATOM 137 CA THR A 13 9.299 10.595 -0.232 1.00 0.00 C ATOM 138 C THR A 13 8.157 11.488 0.258 1.00 0.00 C ATOM 139 O THR A 13 8.348 12.309 1.154 1.00 0.00 O ATOM 140 CB THR A 13 9.367 9.246 0.488 1.00 0.00 C ATOM 141 OG1 THR A 13 8.144 8.604 0.138 1.00 0.00 O ATOM 142 CG2 THR A 13 9.291 9.389 2.009 1.00 0.00 C ATOM 0 H THR A 13 10.540 12.111 0.511 1.00 0.00 H new ATOM 0 HA THR A 13 9.094 10.408 -1.286 1.00 0.00 H new ATOM 0 HB THR A 13 10.292 8.737 0.218 1.00 0.00 H new ATOM 0 HG1 THR A 13 8.311 7.653 -0.033 1.00 0.00 H new ATOM 0 HG21 THR A 13 9.343 8.403 2.470 1.00 0.00 H new ATOM 0 HG22 THR A 13 10.124 9.998 2.359 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.351 9.868 2.283 1.00 0.00 H new ATOM 150 N GLN A 14 6.996 11.296 -0.350 1.00 0.00 N ATOM 151 CA GLN A 14 5.824 12.074 0.013 1.00 0.00 C ATOM 152 C GLN A 14 4.564 11.450 -0.591 1.00 0.00 C ATOM 153 O GLN A 14 4.561 11.054 -1.755 1.00 0.00 O ATOM 154 CB GLN A 14 5.977 13.533 -0.423 1.00 0.00 C ATOM 155 CG GLN A 14 4.849 14.396 0.145 1.00 0.00 C ATOM 156 CD GLN A 14 5.361 15.788 0.521 1.00 0.00 C ATOM 157 OE1 GLN A 14 6.454 15.958 1.035 1.00 0.00 O ATOM 158 NE2 GLN A 14 4.512 16.772 0.235 1.00 0.00 N ATOM 0 H GLN A 14 6.842 10.613 -1.092 1.00 0.00 H new ATOM 0 HA GLN A 14 5.727 12.062 1.099 1.00 0.00 H new ATOM 0 HB2 GLN A 14 6.939 13.918 -0.086 1.00 0.00 H new ATOM 0 HB3 GLN A 14 5.973 13.593 -1.511 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.049 14.485 -0.590 1.00 0.00 H new ATOM 0 HG3 GLN A 14 4.423 13.912 1.023 1.00 0.00 H new ATOM 0 HE21 GLN A 14 3.612 16.560 -0.196 1.00 0.00 H new ATOM 0 HE22 GLN A 14 4.761 17.738 0.446 1.00 0.00 H new ATOM 167 N GLY A 15 3.525 11.382 0.228 1.00 0.00 N ATOM 168 CA GLY A 15 2.262 10.813 -0.211 1.00 0.00 C ATOM 169 C GLY A 15 1.508 10.182 0.961 1.00 0.00 C ATOM 170 O GLY A 15 0.614 10.802 1.535 1.00 0.00 O ATOM 0 H GLY A 15 3.532 11.712 1.193 1.00 0.00 H new ATOM 0 HA2 GLY A 15 1.648 11.590 -0.667 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.445 10.060 -0.978 1.00 0.00 H new ATOM 174 N GLY A 16 1.896 8.956 1.282 1.00 0.00 N ATOM 175 CA GLY A 16 1.268 8.234 2.375 1.00 0.00 C ATOM 176 C GLY A 16 2.183 7.124 2.897 1.00 0.00 C ATOM 177 O GLY A 16 3.404 7.265 2.885 1.00 0.00 O ATOM 0 H GLY A 16 2.638 8.445 0.804 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.031 8.925 3.184 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.325 7.804 2.037 1.00 0.00 H new ATOM 181 N PRO A 17 1.539 6.017 3.353 1.00 0.00 N ATOM 182 CA PRO A 17 2.281 4.883 3.878 1.00 0.00 C ATOM 183 C PRO A 17 2.930 4.082 2.747 1.00 0.00 C ATOM 184 O PRO A 17 2.294 3.807 1.731 1.00 0.00 O ATOM 185 CB PRO A 17 1.263 4.077 4.668 1.00 0.00 C ATOM 186 CG PRO A 17 -0.101 4.533 4.175 1.00 0.00 C ATOM 187 CD PRO A 17 0.093 5.815 3.382 1.00 0.00 C ATOM 0 HA PRO A 17 3.112 5.184 4.516 1.00 0.00 H new ATOM 0 HB2 PRO A 17 1.400 3.008 4.506 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.371 4.253 5.738 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.558 3.764 3.552 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -0.773 4.703 5.016 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.314 5.723 2.375 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -0.415 6.655 3.856 1.00 0.00 H new ATOM 195 N LEU A 18 4.189 3.730 2.962 1.00 0.00 N ATOM 196 CA LEU A 18 4.932 2.966 1.973 1.00 0.00 C ATOM 197 C LEU A 18 4.664 1.474 2.182 1.00 0.00 C ATOM 198 O LEU A 18 4.348 1.046 3.291 1.00 0.00 O ATOM 199 CB LEU A 18 6.416 3.336 2.014 1.00 0.00 C ATOM 200 CG LEU A 18 6.738 4.829 1.920 1.00 0.00 C ATOM 201 CD1 LEU A 18 8.210 5.094 2.242 1.00 0.00 C ATOM 202 CD2 LEU A 18 6.341 5.390 0.553 1.00 0.00 C ATOM 0 H LEU A 18 4.714 3.959 3.806 1.00 0.00 H new ATOM 0 HA LEU A 18 4.594 3.214 0.967 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.841 2.951 2.941 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.921 2.823 1.195 1.00 0.00 H new ATOM 0 HG LEU A 18 6.145 5.354 2.669 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.412 6.163 2.168 1.00 0.00 H new ATOM 0 HD12 LEU A 18 8.428 4.753 3.254 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.840 4.556 1.534 1.00 0.00 H new ATOM 0 HD21 LEU A 18 6.580 6.453 0.512 1.00 0.00 H new ATOM 0 HD22 LEU A 18 6.889 4.864 -0.229 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.270 5.253 0.401 1.00 0.00 H new ATOM 214 N ALA A 19 4.800 0.724 1.098 1.00 0.00 N ATOM 215 CA ALA A 19 4.577 -0.711 1.149 1.00 0.00 C ATOM 216 C ALA A 19 5.633 -1.356 2.049 1.00 0.00 C ATOM 217 O ALA A 19 6.792 -0.945 2.044 1.00 0.00 O ATOM 218 CB ALA A 19 4.594 -1.281 -0.271 1.00 0.00 C ATOM 0 H ALA A 19 5.062 1.083 0.180 1.00 0.00 H new ATOM 0 HA ALA A 19 3.600 -0.932 1.578 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.427 -2.357 -0.233 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.806 -0.812 -0.861 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.561 -1.080 -0.732 1.00 0.00 H new ATOM 224 N PRO A 20 5.182 -2.382 2.819 1.00 0.00 N ATOM 225 CA PRO A 20 6.075 -3.088 3.722 1.00 0.00 C ATOM 226 C PRO A 20 7.004 -4.028 2.951 1.00 0.00 C ATOM 227 O PRO A 20 8.148 -4.240 3.349 1.00 0.00 O ATOM 228 CB PRO A 20 5.159 -3.819 4.689 1.00 0.00 C ATOM 229 CG PRO A 20 3.798 -3.873 4.014 1.00 0.00 C ATOM 230 CD PRO A 20 3.816 -2.896 2.850 1.00 0.00 C ATOM 0 HA PRO A 20 6.746 -2.418 4.259 1.00 0.00 H new ATOM 0 HB2 PRO A 20 5.532 -4.822 4.897 1.00 0.00 H new ATOM 0 HB3 PRO A 20 5.101 -3.296 5.643 1.00 0.00 H new ATOM 0 HG2 PRO A 20 3.586 -4.883 3.662 1.00 0.00 H new ATOM 0 HG3 PRO A 20 3.011 -3.610 4.721 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.558 -3.391 1.914 1.00 0.00 H new ATOM 0 HD3 PRO A 20 3.094 -2.093 2.996 1.00 0.00 H new ATOM 238 N MET A 21 6.476 -4.568 1.862 1.00 0.00 N ATOM 239 CA MET A 21 7.243 -5.481 1.032 1.00 0.00 C ATOM 240 C MET A 21 6.466 -5.858 -0.231 1.00 0.00 C ATOM 241 O MET A 21 5.240 -5.764 -0.261 1.00 0.00 O ATOM 242 CB MET A 21 7.567 -6.746 1.829 1.00 0.00 C ATOM 243 CG MET A 21 8.513 -7.660 1.047 1.00 0.00 C ATOM 244 SD MET A 21 9.567 -8.556 2.175 1.00 0.00 S ATOM 245 CE MET A 21 11.117 -8.458 1.294 1.00 0.00 C ATOM 0 H MET A 21 5.526 -4.391 1.535 1.00 0.00 H new ATOM 0 HA MET A 21 8.165 -4.983 0.733 1.00 0.00 H new ATOM 0 HB2 MET A 21 8.023 -6.474 2.781 1.00 0.00 H new ATOM 0 HB3 MET A 21 6.646 -7.281 2.059 1.00 0.00 H new ATOM 0 HG2 MET A 21 7.938 -8.359 0.441 1.00 0.00 H new ATOM 0 HG3 MET A 21 9.120 -7.068 0.362 1.00 0.00 H new ATOM 0 HE1 MET A 21 11.892 -8.972 1.863 1.00 0.00 H new ATOM 0 HE2 MET A 21 11.011 -8.930 0.317 1.00 0.00 H new ATOM 0 HE3 MET A 21 11.396 -7.412 1.163 1.00 0.00 H new ATOM 255 N THR A 22 7.212 -6.276 -1.243 1.00 0.00 N ATOM 256 CA THR A 22 6.609 -6.667 -2.506 1.00 0.00 C ATOM 257 C THR A 22 5.599 -7.796 -2.287 1.00 0.00 C ATOM 258 O THR A 22 5.984 -8.943 -2.065 1.00 0.00 O ATOM 259 CB THR A 22 7.735 -7.038 -3.473 1.00 0.00 C ATOM 260 OG1 THR A 22 8.371 -5.795 -3.758 1.00 0.00 O ATOM 261 CG2 THR A 22 7.209 -7.508 -4.831 1.00 0.00 C ATOM 0 H THR A 22 8.229 -6.352 -1.214 1.00 0.00 H new ATOM 0 HA THR A 22 6.042 -5.846 -2.945 1.00 0.00 H new ATOM 0 HB THR A 22 8.350 -7.822 -3.031 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.116 -5.943 -4.378 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.049 -7.759 -5.479 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.581 -8.388 -4.693 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.622 -6.712 -5.289 1.00 0.00 H new ATOM 269 N GLY A 23 4.328 -7.431 -2.358 1.00 0.00 N ATOM 270 CA GLY A 23 3.260 -8.398 -2.171 1.00 0.00 C ATOM 271 C GLY A 23 2.054 -8.061 -3.050 1.00 0.00 C ATOM 272 O GLY A 23 2.164 -7.266 -3.982 1.00 0.00 O ATOM 0 H GLY A 23 4.013 -6.478 -2.543 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.623 -9.397 -2.413 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.958 -8.413 -1.124 1.00 0.00 H new ATOM 276 N THR A 24 0.931 -8.684 -2.724 1.00 0.00 N ATOM 277 CA THR A 24 -0.294 -8.461 -3.472 1.00 0.00 C ATOM 278 C THR A 24 -1.414 -8.000 -2.538 1.00 0.00 C ATOM 279 O THR A 24 -1.517 -8.473 -1.407 1.00 0.00 O ATOM 280 CB THR A 24 -0.625 -9.747 -4.231 1.00 0.00 C ATOM 281 OG1 THR A 24 0.442 -9.884 -5.166 1.00 0.00 O ATOM 282 CG2 THR A 24 -1.872 -9.606 -5.107 1.00 0.00 C ATOM 0 H THR A 24 0.844 -9.344 -1.951 1.00 0.00 H new ATOM 0 HA THR A 24 -0.172 -7.659 -4.200 1.00 0.00 H new ATOM 0 HB THR A 24 -0.771 -10.560 -3.520 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.307 -10.695 -5.700 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.062 -10.547 -5.623 1.00 0.00 H new ATOM 0 HG22 THR A 24 -2.729 -9.355 -4.482 1.00 0.00 H new ATOM 0 HG23 THR A 24 -1.714 -8.815 -5.840 1.00 0.00 H new ATOM 290 N ILE A 25 -2.225 -7.084 -3.045 1.00 0.00 N ATOM 291 CA ILE A 25 -3.334 -6.555 -2.269 1.00 0.00 C ATOM 292 C ILE A 25 -4.458 -7.591 -2.221 1.00 0.00 C ATOM 293 O ILE A 25 -4.963 -8.012 -3.261 1.00 0.00 O ATOM 294 CB ILE A 25 -3.773 -5.196 -2.820 1.00 0.00 C ATOM 295 CG1 ILE A 25 -2.562 -4.323 -3.153 1.00 0.00 C ATOM 296 CG2 ILE A 25 -4.735 -4.499 -1.856 1.00 0.00 C ATOM 297 CD1 ILE A 25 -1.645 -4.168 -1.937 1.00 0.00 C ATOM 0 H ILE A 25 -2.137 -6.694 -3.984 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.025 -6.372 -1.240 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.315 -5.363 -3.751 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.005 -4.767 -3.978 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.898 -3.341 -3.487 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -5.032 -3.536 -2.271 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -5.619 -5.120 -1.712 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.240 -4.344 -0.897 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.792 -3.543 -2.202 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.198 -3.701 -1.122 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.291 -5.149 -1.621 1.00 0.00 H new ATOM 309 N GLU A 26 -4.817 -7.973 -1.004 1.00 0.00 N ATOM 310 CA GLU A 26 -5.872 -8.952 -0.807 1.00 0.00 C ATOM 311 C GLU A 26 -7.181 -8.254 -0.433 1.00 0.00 C ATOM 312 O GLU A 26 -8.216 -8.494 -1.052 1.00 0.00 O ATOM 313 CB GLU A 26 -5.476 -9.979 0.254 1.00 0.00 C ATOM 314 CG GLU A 26 -6.649 -10.903 0.589 1.00 0.00 C ATOM 315 CD GLU A 26 -6.882 -11.921 -0.529 1.00 0.00 C ATOM 316 OE1 GLU A 26 -6.604 -11.559 -1.693 1.00 0.00 O ATOM 317 OE2 GLU A 26 -7.332 -13.038 -0.194 1.00 0.00 O ATOM 0 H GLU A 26 -4.395 -7.622 -0.144 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.023 -9.487 -1.744 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.633 -10.571 -0.104 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.144 -9.465 1.156 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.450 -11.425 1.525 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.551 -10.311 0.740 1.00 0.00 H new ATOM 324 N LYS A 27 -7.093 -7.403 0.579 1.00 0.00 N ATOM 325 CA LYS A 27 -8.257 -6.668 1.043 1.00 0.00 C ATOM 326 C LYS A 27 -7.907 -5.183 1.154 1.00 0.00 C ATOM 327 O LYS A 27 -6.770 -4.831 1.467 1.00 0.00 O ATOM 328 CB LYS A 27 -8.789 -7.274 2.343 1.00 0.00 C ATOM 329 CG LYS A 27 -9.774 -8.409 2.056 1.00 0.00 C ATOM 330 CD LYS A 27 -11.182 -7.865 1.809 1.00 0.00 C ATOM 331 CE LYS A 27 -11.740 -8.373 0.478 1.00 0.00 C ATOM 332 NZ LYS A 27 -13.193 -8.630 0.590 1.00 0.00 N ATOM 0 H LYS A 27 -6.233 -7.206 1.091 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.071 -6.750 0.323 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.958 -7.651 2.939 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.281 -6.501 2.934 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.440 -8.973 1.185 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.791 -9.102 2.897 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.841 -8.168 2.623 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.159 -6.775 1.806 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.554 -7.638 -0.305 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.224 -9.288 0.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.556 -8.974 -0.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.363 -9.347 1.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.683 -7.749 0.847 1.00 0.00 H new ATOM 346 N VAL A 28 -8.904 -4.351 0.893 1.00 0.00 N ATOM 347 CA VAL A 28 -8.716 -2.912 0.960 1.00 0.00 C ATOM 348 C VAL A 28 -9.845 -2.292 1.784 1.00 0.00 C ATOM 349 O VAL A 28 -10.950 -2.095 1.281 1.00 0.00 O ATOM 350 CB VAL A 28 -8.617 -2.331 -0.452 1.00 0.00 C ATOM 351 CG1 VAL A 28 -8.726 -0.805 -0.425 1.00 0.00 C ATOM 352 CG2 VAL A 28 -7.326 -2.777 -1.140 1.00 0.00 C ATOM 0 H VAL A 28 -9.845 -4.646 0.634 1.00 0.00 H new ATOM 0 HA VAL A 28 -7.779 -2.672 1.462 1.00 0.00 H new ATOM 0 HB VAL A 28 -9.455 -2.717 -1.033 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.653 -0.417 -1.441 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.685 -0.516 0.005 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.918 -0.393 0.180 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.281 -2.350 -2.142 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.468 -2.435 -0.561 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.307 -3.865 -1.208 1.00 0.00 H new ATOM 362 N PHE A 29 -9.529 -2.001 3.038 1.00 0.00 N ATOM 363 CA PHE A 29 -10.504 -1.408 3.937 1.00 0.00 C ATOM 364 C PHE A 29 -10.329 0.110 4.011 1.00 0.00 C ATOM 365 O PHE A 29 -10.270 0.680 5.099 1.00 0.00 O ATOM 366 CB PHE A 29 -10.256 -2.006 5.323 1.00 0.00 C ATOM 367 CG PHE A 29 -10.226 -3.535 5.345 1.00 0.00 C ATOM 368 CD1 PHE A 29 -11.285 -4.243 4.869 1.00 0.00 C ATOM 369 CD2 PHE A 29 -9.140 -4.187 5.841 1.00 0.00 C ATOM 370 CE1 PHE A 29 -11.258 -5.662 4.889 1.00 0.00 C ATOM 371 CE2 PHE A 29 -9.113 -5.607 5.861 1.00 0.00 C ATOM 372 CZ PHE A 29 -10.172 -6.314 5.385 1.00 0.00 C ATOM 0 H PHE A 29 -8.611 -2.165 3.452 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.513 -1.614 3.580 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -9.308 -1.629 5.706 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -11.035 -1.658 6.002 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -12.147 -3.725 4.475 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -8.299 -3.625 6.219 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -12.099 -6.224 4.511 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -8.251 -6.125 6.254 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.151 -7.394 5.401 1.00 0.00 H new ATOM 382 N VAL A 30 -10.250 0.722 2.838 1.00 0.00 N ATOM 383 CA VAL A 30 -10.083 2.163 2.756 1.00 0.00 C ATOM 384 C VAL A 30 -10.792 2.684 1.504 1.00 0.00 C ATOM 385 O VAL A 30 -11.493 1.935 0.826 1.00 0.00 O ATOM 386 CB VAL A 30 -8.595 2.520 2.793 1.00 0.00 C ATOM 387 CG1 VAL A 30 -7.972 2.132 4.135 1.00 0.00 C ATOM 388 CG2 VAL A 30 -7.846 1.867 1.630 1.00 0.00 C ATOM 0 H VAL A 30 -10.299 0.246 1.937 1.00 0.00 H new ATOM 0 HA VAL A 30 -10.542 2.650 3.616 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.506 3.601 2.683 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.915 2.396 4.135 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.479 2.665 4.939 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.078 1.058 4.288 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.791 2.137 1.680 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.947 0.784 1.695 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.265 2.215 0.686 1.00 0.00 H new ATOM 398 N LYS A 31 -10.584 3.965 1.235 1.00 0.00 N ATOM 399 CA LYS A 31 -11.194 4.594 0.076 1.00 0.00 C ATOM 400 C LYS A 31 -10.849 6.085 0.070 1.00 0.00 C ATOM 401 O LYS A 31 -10.366 6.618 1.068 1.00 0.00 O ATOM 402 CB LYS A 31 -12.697 4.311 0.042 1.00 0.00 C ATOM 403 CG LYS A 31 -13.340 4.597 1.401 1.00 0.00 C ATOM 404 CD LYS A 31 -14.047 5.954 1.398 1.00 0.00 C ATOM 405 CE LYS A 31 -15.370 5.881 0.634 1.00 0.00 C ATOM 406 NZ LYS A 31 -16.286 6.955 1.079 1.00 0.00 N ATOM 0 H LYS A 31 -10.002 4.584 1.800 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.792 4.169 -0.844 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -13.169 4.926 -0.724 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -12.869 3.271 -0.234 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -14.055 3.811 1.642 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -12.577 4.582 2.179 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -14.232 6.274 2.423 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -13.401 6.704 0.942 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -15.184 5.974 -0.436 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -15.836 4.909 0.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -17.179 6.891 0.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -16.477 6.849 2.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -15.846 7.881 0.904 1.00 0.00 H new ATOM 420 N ALA A 32 -11.111 6.716 -1.065 1.00 0.00 N ATOM 421 CA ALA A 32 -10.834 8.134 -1.214 1.00 0.00 C ATOM 422 C ALA A 32 -11.835 8.935 -0.379 1.00 0.00 C ATOM 423 O ALA A 32 -13.007 8.574 -0.293 1.00 0.00 O ATOM 424 CB ALA A 32 -10.879 8.510 -2.697 1.00 0.00 C ATOM 0 H ALA A 32 -11.512 6.271 -1.890 1.00 0.00 H new ATOM 0 HA ALA A 32 -9.835 8.371 -0.848 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -10.671 9.574 -2.809 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -10.130 7.935 -3.241 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -11.868 8.289 -3.098 1.00 0.00 H new ATOM 430 N GLY A 33 -11.335 10.008 0.216 1.00 0.00 N ATOM 431 CA GLY A 33 -12.171 10.864 1.042 1.00 0.00 C ATOM 432 C GLY A 33 -12.731 10.093 2.239 1.00 0.00 C ATOM 433 O GLY A 33 -13.847 10.354 2.683 1.00 0.00 O ATOM 0 H GLY A 33 -10.362 10.305 0.143 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.590 11.716 1.394 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -12.992 11.262 0.445 1.00 0.00 H new ATOM 437 N ASP A 34 -11.929 9.158 2.727 1.00 0.00 N ATOM 438 CA ASP A 34 -12.330 8.347 3.864 1.00 0.00 C ATOM 439 C ASP A 34 -11.637 8.866 5.125 1.00 0.00 C ATOM 440 O ASP A 34 -10.784 9.749 5.050 1.00 0.00 O ATOM 441 CB ASP A 34 -11.924 6.885 3.669 1.00 0.00 C ATOM 442 CG ASP A 34 -12.643 5.887 4.578 1.00 0.00 C ATOM 443 OD1 ASP A 34 -13.879 6.024 4.706 1.00 0.00 O ATOM 444 OD2 ASP A 34 -11.941 5.009 5.125 1.00 0.00 O ATOM 0 H ASP A 34 -11.003 8.944 2.356 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.414 8.410 3.957 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -12.110 6.607 2.631 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -10.850 6.797 3.835 1.00 0.00 H new ATOM 449 N LYS A 35 -12.029 8.296 6.255 1.00 0.00 N ATOM 450 CA LYS A 35 -11.456 8.690 7.531 1.00 0.00 C ATOM 451 C LYS A 35 -10.930 7.448 8.254 1.00 0.00 C ATOM 452 O LYS A 35 -11.597 6.416 8.288 1.00 0.00 O ATOM 453 CB LYS A 35 -12.470 9.494 8.348 1.00 0.00 C ATOM 454 CG LYS A 35 -12.904 10.754 7.596 1.00 0.00 C ATOM 455 CD LYS A 35 -14.305 10.585 7.006 1.00 0.00 C ATOM 456 CE LYS A 35 -14.939 11.943 6.701 1.00 0.00 C ATOM 457 NZ LYS A 35 -16.377 11.786 6.389 1.00 0.00 N ATOM 0 H LYS A 35 -12.737 7.564 6.313 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.606 9.355 7.378 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -13.342 8.876 8.562 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -12.032 9.771 9.307 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -12.891 11.608 8.273 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -12.193 10.969 6.798 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -14.250 9.992 6.093 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -14.934 10.035 7.706 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -14.817 12.608 7.556 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -14.427 12.409 5.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -16.792 12.718 6.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -16.487 11.168 5.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -16.865 11.361 7.204 1.00 0.00 H new ATOM 471 N VAL A 36 -9.737 7.590 8.814 1.00 0.00 N ATOM 472 CA VAL A 36 -9.113 6.493 9.534 1.00 0.00 C ATOM 473 C VAL A 36 -8.429 7.037 10.789 1.00 0.00 C ATOM 474 O VAL A 36 -8.111 8.223 10.863 1.00 0.00 O ATOM 475 CB VAL A 36 -8.155 5.738 8.610 1.00 0.00 C ATOM 476 CG1 VAL A 36 -8.910 5.098 7.443 1.00 0.00 C ATOM 477 CG2 VAL A 36 -7.042 6.658 8.104 1.00 0.00 C ATOM 0 H VAL A 36 -9.186 8.448 8.783 1.00 0.00 H new ATOM 0 HA VAL A 36 -9.864 5.773 9.859 1.00 0.00 H new ATOM 0 HB VAL A 36 -7.692 4.939 9.188 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -8.206 4.568 6.801 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -9.649 4.396 7.829 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -9.413 5.874 6.866 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.375 6.097 7.450 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -7.480 7.488 7.550 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.477 7.046 8.952 1.00 0.00 H new ATOM 487 N LYS A 37 -8.222 6.144 11.746 1.00 0.00 N ATOM 488 CA LYS A 37 -7.581 6.519 12.995 1.00 0.00 C ATOM 489 C LYS A 37 -6.186 5.893 13.055 1.00 0.00 C ATOM 490 O LYS A 37 -6.008 4.730 12.696 1.00 0.00 O ATOM 491 CB LYS A 37 -8.471 6.154 14.185 1.00 0.00 C ATOM 492 CG LYS A 37 -9.950 6.335 13.839 1.00 0.00 C ATOM 493 CD LYS A 37 -10.473 5.149 13.026 1.00 0.00 C ATOM 494 CE LYS A 37 -11.812 4.654 13.577 1.00 0.00 C ATOM 495 NZ LYS A 37 -12.726 4.295 12.470 1.00 0.00 N ATOM 0 H LYS A 37 -8.487 5.161 11.681 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.448 7.600 13.046 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.286 5.121 14.478 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.215 6.779 15.041 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.532 6.437 14.755 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.084 7.256 13.272 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.591 5.442 11.983 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.744 4.339 13.049 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.650 3.788 14.219 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.266 5.428 14.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.630 3.961 12.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.894 5.130 11.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.297 3.541 11.896 1.00 0.00 H new ATOM 509 N ALA A 38 -5.233 6.692 13.512 1.00 0.00 N ATOM 510 CA ALA A 38 -3.860 6.231 13.625 1.00 0.00 C ATOM 511 C ALA A 38 -3.851 4.791 14.141 1.00 0.00 C ATOM 512 O ALA A 38 -4.228 4.535 15.283 1.00 0.00 O ATOM 513 CB ALA A 38 -3.075 7.181 14.532 1.00 0.00 C ATOM 0 H ALA A 38 -5.385 7.656 13.808 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.372 6.235 12.650 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.045 6.835 14.617 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.087 8.184 14.106 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.533 7.202 15.521 1.00 0.00 H new ATOM 519 N GLY A 39 -3.416 3.888 13.274 1.00 0.00 N ATOM 520 CA GLY A 39 -3.352 2.480 13.629 1.00 0.00 C ATOM 521 C GLY A 39 -4.616 1.744 13.178 1.00 0.00 C ATOM 522 O GLY A 39 -5.190 0.967 13.939 1.00 0.00 O ATOM 0 H GLY A 39 -3.105 4.104 12.327 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.477 2.024 13.167 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.232 2.378 14.708 1.00 0.00 H new ATOM 526 N ASP A 40 -5.011 2.015 11.943 1.00 0.00 N ATOM 527 CA ASP A 40 -6.196 1.388 11.382 1.00 0.00 C ATOM 528 C ASP A 40 -5.783 0.460 10.238 1.00 0.00 C ATOM 529 O ASP A 40 -4.811 0.730 9.535 1.00 0.00 O ATOM 530 CB ASP A 40 -7.158 2.435 10.818 1.00 0.00 C ATOM 531 CG ASP A 40 -8.348 2.771 11.719 1.00 0.00 C ATOM 532 OD1 ASP A 40 -8.192 2.611 12.948 1.00 0.00 O ATOM 533 OD2 ASP A 40 -9.387 3.180 11.157 1.00 0.00 O ATOM 0 H ASP A 40 -4.532 2.660 11.315 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.693 0.833 12.178 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.600 3.351 10.622 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -7.536 2.080 9.859 1.00 0.00 H new ATOM 538 N SER A 41 -6.543 -0.615 10.087 1.00 0.00 N ATOM 539 CA SER A 41 -6.269 -1.585 9.040 1.00 0.00 C ATOM 540 C SER A 41 -6.684 -1.019 7.681 1.00 0.00 C ATOM 541 O SER A 41 -7.833 -1.167 7.267 1.00 0.00 O ATOM 542 CB SER A 41 -6.993 -2.905 9.309 1.00 0.00 C ATOM 543 OG SER A 41 -6.326 -3.689 10.294 1.00 0.00 O ATOM 0 H SER A 41 -7.349 -0.836 10.672 1.00 0.00 H new ATOM 0 HA SER A 41 -5.198 -1.785 9.031 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.011 -2.699 9.638 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.066 -3.474 8.382 1.00 0.00 H new ATOM 0 HG SER A 41 -6.820 -4.523 10.438 1.00 0.00 H new ATOM 549 N LEU A 42 -5.726 -0.382 7.023 1.00 0.00 N ATOM 550 CA LEU A 42 -5.978 0.207 5.719 1.00 0.00 C ATOM 551 C LEU A 42 -6.298 -0.903 4.716 1.00 0.00 C ATOM 552 O LEU A 42 -7.433 -1.022 4.258 1.00 0.00 O ATOM 553 CB LEU A 42 -4.807 1.097 5.297 1.00 0.00 C ATOM 554 CG LEU A 42 -4.423 2.208 6.277 1.00 0.00 C ATOM 555 CD1 LEU A 42 -3.103 2.866 5.869 1.00 0.00 C ATOM 556 CD2 LEU A 42 -5.553 3.230 6.417 1.00 0.00 C ATOM 0 H LEU A 42 -4.774 -0.261 7.369 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.848 0.862 5.759 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.934 0.464 5.136 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.051 1.554 4.338 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.270 1.760 7.259 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.853 3.652 6.582 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.311 2.118 5.861 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.204 3.298 4.873 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.254 4.009 7.119 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.761 3.678 5.445 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.450 2.733 6.787 1.00 0.00 H new ATOM 568 N MET A 43 -5.277 -1.688 4.404 1.00 0.00 N ATOM 569 CA MET A 43 -5.435 -2.784 3.464 1.00 0.00 C ATOM 570 C MET A 43 -4.659 -4.019 3.926 1.00 0.00 C ATOM 571 O MET A 43 -3.956 -3.974 4.935 1.00 0.00 O ATOM 572 CB MET A 43 -4.933 -2.352 2.085 1.00 0.00 C ATOM 573 CG MET A 43 -5.673 -1.104 1.598 1.00 0.00 C ATOM 574 SD MET A 43 -4.539 0.269 1.474 1.00 0.00 S ATOM 575 CE MET A 43 -4.086 0.141 -0.248 1.00 0.00 C ATOM 0 H MET A 43 -4.337 -1.586 4.786 1.00 0.00 H new ATOM 0 HA MET A 43 -6.493 -3.041 3.411 1.00 0.00 H new ATOM 0 HB2 MET A 43 -3.863 -2.150 2.131 1.00 0.00 H new ATOM 0 HB3 MET A 43 -5.074 -3.164 1.372 1.00 0.00 H new ATOM 0 HG2 MET A 43 -6.130 -1.298 0.628 1.00 0.00 H new ATOM 0 HG3 MET A 43 -6.481 -0.858 2.287 1.00 0.00 H new ATOM 0 HE1 MET A 43 -3.098 0.575 -0.397 1.00 0.00 H new ATOM 0 HE2 MET A 43 -4.070 -0.908 -0.543 1.00 0.00 H new ATOM 0 HE3 MET A 43 -4.814 0.678 -0.857 1.00 0.00 H new ATOM 585 N VAL A 44 -4.812 -5.094 3.166 1.00 0.00 N ATOM 586 CA VAL A 44 -4.134 -6.339 3.484 1.00 0.00 C ATOM 587 C VAL A 44 -3.341 -6.810 2.264 1.00 0.00 C ATOM 588 O VAL A 44 -3.886 -6.908 1.165 1.00 0.00 O ATOM 589 CB VAL A 44 -5.147 -7.375 3.976 1.00 0.00 C ATOM 590 CG1 VAL A 44 -4.488 -8.744 4.155 1.00 0.00 C ATOM 591 CG2 VAL A 44 -5.817 -6.915 5.272 1.00 0.00 C ATOM 0 H VAL A 44 -5.396 -5.128 2.330 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.422 -6.189 4.295 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.922 -7.473 3.216 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.230 -9.462 4.505 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.081 -9.079 3.201 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.683 -8.668 4.886 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.532 -7.670 5.600 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.060 -6.774 6.043 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.337 -5.973 5.098 1.00 0.00 H new ATOM 601 N MET A 45 -2.067 -7.088 2.497 1.00 0.00 N ATOM 602 CA MET A 45 -1.194 -7.547 1.430 1.00 0.00 C ATOM 603 C MET A 45 -0.832 -9.022 1.613 1.00 0.00 C ATOM 604 O MET A 45 -1.103 -9.606 2.661 1.00 0.00 O ATOM 605 CB MET A 45 0.084 -6.705 1.419 1.00 0.00 C ATOM 606 CG MET A 45 -0.135 -5.385 0.677 1.00 0.00 C ATOM 607 SD MET A 45 1.360 -4.411 0.709 1.00 0.00 S ATOM 608 CE MET A 45 2.104 -4.934 -0.826 1.00 0.00 C ATOM 0 H MET A 45 -1.618 -7.004 3.409 1.00 0.00 H new ATOM 0 HA MET A 45 -1.721 -7.437 0.482 1.00 0.00 H new ATOM 0 HB2 MET A 45 0.399 -6.503 2.443 1.00 0.00 H new ATOM 0 HB3 MET A 45 0.889 -7.265 0.942 1.00 0.00 H new ATOM 0 HG2 MET A 45 -0.428 -5.582 -0.354 1.00 0.00 H new ATOM 0 HG3 MET A 45 -0.951 -4.829 1.140 1.00 0.00 H new ATOM 0 HE1 MET A 45 3.054 -4.418 -0.964 1.00 0.00 H new ATOM 0 HE2 MET A 45 2.276 -6.010 -0.799 1.00 0.00 H new ATOM 0 HE3 MET A 45 1.437 -4.694 -1.654 1.00 0.00 H new ATOM 618 N ILE A 46 -0.226 -9.582 0.577 1.00 0.00 N ATOM 619 CA ILE A 46 0.176 -10.979 0.610 1.00 0.00 C ATOM 620 C ILE A 46 1.548 -11.126 -0.050 1.00 0.00 C ATOM 621 O ILE A 46 1.744 -10.696 -1.185 1.00 0.00 O ATOM 622 CB ILE A 46 -0.905 -11.862 -0.016 1.00 0.00 C ATOM 623 CG1 ILE A 46 -2.233 -11.715 0.730 1.00 0.00 C ATOM 624 CG2 ILE A 46 -0.448 -13.320 -0.089 1.00 0.00 C ATOM 625 CD1 ILE A 46 -3.153 -12.906 0.453 1.00 0.00 C ATOM 0 H ILE A 46 -0.003 -9.094 -0.291 1.00 0.00 H new ATOM 0 HA ILE A 46 0.279 -11.322 1.640 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.071 -11.525 -1.039 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.046 -11.637 1.801 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.725 -10.792 0.424 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.235 -13.926 -0.538 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.454 -13.389 -0.697 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.237 -13.686 0.916 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.090 -12.776 0.995 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.358 -12.967 -0.616 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.668 -13.825 0.782 1.00 0.00 H new ATOM 637 N ALA A 47 2.463 -11.735 0.691 1.00 0.00 N ATOM 638 CA ALA A 47 3.811 -11.944 0.192 1.00 0.00 C ATOM 639 C ALA A 47 4.188 -13.418 0.356 1.00 0.00 C ATOM 640 O ALA A 47 4.078 -14.199 -0.589 1.00 0.00 O ATOM 641 CB ALA A 47 4.777 -11.011 0.924 1.00 0.00 C ATOM 0 H ALA A 47 2.297 -12.090 1.633 1.00 0.00 H new ATOM 0 HA ALA A 47 3.868 -11.705 -0.870 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.789 -11.168 0.549 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.483 -9.976 0.752 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.749 -11.224 1.993 1.00 0.00 H new ATOM 647 N MET A 48 4.624 -13.754 1.561 1.00 0.00 N ATOM 648 CA MET A 48 5.017 -15.120 1.860 1.00 0.00 C ATOM 649 C MET A 48 3.819 -15.944 2.335 1.00 0.00 C ATOM 650 O MET A 48 3.753 -16.336 3.499 1.00 0.00 O ATOM 651 CB MET A 48 6.096 -15.115 2.945 1.00 0.00 C ATOM 652 CG MET A 48 5.668 -14.261 4.140 1.00 0.00 C ATOM 653 SD MET A 48 6.441 -14.866 5.631 1.00 0.00 S ATOM 654 CE MET A 48 8.046 -14.099 5.480 1.00 0.00 C ATOM 0 H MET A 48 4.714 -13.104 2.342 1.00 0.00 H new ATOM 0 HA MET A 48 5.407 -15.573 0.949 1.00 0.00 H new ATOM 0 HB2 MET A 48 6.291 -16.136 3.274 1.00 0.00 H new ATOM 0 HB3 MET A 48 7.029 -14.729 2.533 1.00 0.00 H new ATOM 0 HG2 MET A 48 5.947 -13.221 3.972 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.584 -14.287 4.246 1.00 0.00 H new ATOM 0 HE1 MET A 48 8.663 -14.374 6.336 1.00 0.00 H new ATOM 0 HE2 MET A 48 8.527 -14.439 4.563 1.00 0.00 H new ATOM 0 HE3 MET A 48 7.930 -13.016 5.449 1.00 0.00 H new ATOM 664 N LYS A 49 2.901 -16.183 1.410 1.00 0.00 N ATOM 665 CA LYS A 49 1.709 -16.953 1.720 1.00 0.00 C ATOM 666 C LYS A 49 1.161 -16.512 3.078 1.00 0.00 C ATOM 667 O LYS A 49 0.614 -17.323 3.824 1.00 0.00 O ATOM 668 CB LYS A 49 2.002 -18.453 1.632 1.00 0.00 C ATOM 669 CG LYS A 49 2.247 -18.880 0.184 1.00 0.00 C ATOM 670 CD LYS A 49 1.278 -19.988 -0.232 1.00 0.00 C ATOM 671 CE LYS A 49 1.453 -20.344 -1.710 1.00 0.00 C ATOM 672 NZ LYS A 49 0.628 -19.456 -2.558 1.00 0.00 N ATOM 0 H LYS A 49 2.959 -15.857 0.445 1.00 0.00 H new ATOM 0 HA LYS A 49 0.929 -16.760 0.984 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.876 -18.693 2.238 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.164 -19.016 2.044 1.00 0.00 H new ATOM 0 HG2 LYS A 49 2.129 -18.021 -0.477 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.274 -19.229 0.073 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.447 -20.873 0.381 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.253 -19.666 -0.051 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.502 -20.252 -1.990 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.168 -21.383 -1.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.759 -19.711 -3.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.374 -19.563 -2.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.919 -18.468 -2.412 1.00 0.00 H new ATOM 686 N MET A 50 1.326 -15.228 3.358 1.00 0.00 N ATOM 687 CA MET A 50 0.855 -14.669 4.614 1.00 0.00 C ATOM 688 C MET A 50 0.111 -13.352 4.383 1.00 0.00 C ATOM 689 O MET A 50 0.404 -12.627 3.433 1.00 0.00 O ATOM 690 CB MET A 50 2.045 -14.427 5.544 1.00 0.00 C ATOM 691 CG MET A 50 2.667 -15.750 5.994 1.00 0.00 C ATOM 692 SD MET A 50 2.514 -15.927 7.763 1.00 0.00 S ATOM 693 CE MET A 50 2.662 -17.700 7.912 1.00 0.00 C ATOM 0 H MET A 50 1.779 -14.558 2.737 1.00 0.00 H new ATOM 0 HA MET A 50 0.165 -15.379 5.070 1.00 0.00 H new ATOM 0 HB2 MET A 50 2.795 -13.824 5.032 1.00 0.00 H new ATOM 0 HB3 MET A 50 1.720 -13.859 6.416 1.00 0.00 H new ATOM 0 HG2 MET A 50 2.173 -16.582 5.493 1.00 0.00 H new ATOM 0 HG3 MET A 50 3.718 -15.783 5.707 1.00 0.00 H new ATOM 0 HE1 MET A 50 2.588 -17.984 8.962 1.00 0.00 H new ATOM 0 HE2 MET A 50 1.862 -18.181 7.348 1.00 0.00 H new ATOM 0 HE3 MET A 50 3.627 -18.019 7.517 1.00 0.00 H new ATOM 703 N GLU A 51 -0.837 -13.081 5.268 1.00 0.00 N ATOM 704 CA GLU A 51 -1.625 -11.864 5.172 1.00 0.00 C ATOM 705 C GLU A 51 -1.033 -10.777 6.071 1.00 0.00 C ATOM 706 O GLU A 51 -0.874 -10.979 7.274 1.00 0.00 O ATOM 707 CB GLU A 51 -3.090 -12.130 5.525 1.00 0.00 C ATOM 708 CG GLU A 51 -3.679 -13.224 4.633 1.00 0.00 C ATOM 709 CD GLU A 51 -3.666 -14.579 5.344 1.00 0.00 C ATOM 710 OE1 GLU A 51 -2.551 -15.027 5.689 1.00 0.00 O ATOM 711 OE2 GLU A 51 -4.770 -15.135 5.526 1.00 0.00 O ATOM 0 H GLU A 51 -1.077 -13.684 6.055 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.592 -11.513 4.141 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.168 -12.428 6.571 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.668 -11.213 5.411 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -4.701 -12.963 4.359 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.108 -13.290 3.707 1.00 0.00 H new ATOM 718 N HIS A 52 -0.723 -9.647 5.453 1.00 0.00 N ATOM 719 CA HIS A 52 -0.152 -8.527 6.182 1.00 0.00 C ATOM 720 C HIS A 52 -1.226 -7.460 6.408 1.00 0.00 C ATOM 721 O HIS A 52 -2.170 -7.350 5.627 1.00 0.00 O ATOM 722 CB HIS A 52 1.082 -7.982 5.461 1.00 0.00 C ATOM 723 CG HIS A 52 1.952 -9.049 4.840 1.00 0.00 C ATOM 724 ND1 HIS A 52 2.373 -10.171 5.534 1.00 0.00 N ATOM 725 CD2 HIS A 52 2.474 -9.154 3.585 1.00 0.00 C ATOM 726 CE1 HIS A 52 3.115 -10.910 4.722 1.00 0.00 C ATOM 727 NE2 HIS A 52 3.177 -10.278 3.515 1.00 0.00 N ATOM 0 H HIS A 52 -0.856 -9.483 4.455 1.00 0.00 H new ATOM 0 HA HIS A 52 0.189 -8.862 7.161 1.00 0.00 H new ATOM 0 HB2 HIS A 52 0.759 -7.292 4.682 1.00 0.00 H new ATOM 0 HB3 HIS A 52 1.679 -7.407 6.169 1.00 0.00 H new ATOM 0 HD1 HIS A 52 2.150 -10.391 6.505 1.00 0.00 H new ATOM 0 HD2 HIS A 52 2.339 -8.443 2.783 1.00 0.00 H new ATOM 0 HE1 HIS A 52 3.588 -11.848 4.972 1.00 0.00 H new ATOM 735 N THR A 53 -1.045 -6.703 7.480 1.00 0.00 N ATOM 736 CA THR A 53 -1.987 -5.649 7.818 1.00 0.00 C ATOM 737 C THR A 53 -1.279 -4.293 7.853 1.00 0.00 C ATOM 738 O THR A 53 -0.629 -3.953 8.840 1.00 0.00 O ATOM 739 CB THR A 53 -2.655 -6.020 9.144 1.00 0.00 C ATOM 740 OG1 THR A 53 -3.106 -7.357 8.943 1.00 0.00 O ATOM 741 CG2 THR A 53 -3.940 -5.228 9.394 1.00 0.00 C ATOM 0 H THR A 53 -0.261 -6.798 8.125 1.00 0.00 H new ATOM 0 HA THR A 53 -2.765 -5.555 7.060 1.00 0.00 H new ATOM 0 HB THR A 53 -1.957 -5.847 9.963 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.550 -7.678 9.755 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.374 -5.530 10.347 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.711 -4.163 9.420 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.652 -5.427 8.593 1.00 0.00 H new ATOM 749 N ILE A 54 -1.431 -3.554 6.764 1.00 0.00 N ATOM 750 CA ILE A 54 -0.814 -2.243 6.657 1.00 0.00 C ATOM 751 C ILE A 54 -1.537 -1.267 7.588 1.00 0.00 C ATOM 752 O ILE A 54 -2.602 -0.753 7.248 1.00 0.00 O ATOM 753 CB ILE A 54 -0.776 -1.786 5.197 1.00 0.00 C ATOM 754 CG1 ILE A 54 0.366 -2.467 4.440 1.00 0.00 C ATOM 755 CG2 ILE A 54 -0.698 -0.261 5.102 1.00 0.00 C ATOM 756 CD1 ILE A 54 -0.018 -3.890 4.032 1.00 0.00 C ATOM 0 H ILE A 54 -1.973 -3.838 5.948 1.00 0.00 H new ATOM 0 HA ILE A 54 0.226 -2.284 6.981 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.707 -2.091 4.718 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.616 -1.886 3.553 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.258 -2.493 5.066 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.672 0.037 4.054 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.572 0.179 5.583 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.206 0.089 5.601 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.811 -4.351 3.496 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.244 -4.476 4.923 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.895 -3.859 3.386 1.00 0.00 H new ATOM 768 N LYS A 55 -0.930 -1.042 8.744 1.00 0.00 N ATOM 769 CA LYS A 55 -1.503 -0.137 9.726 1.00 0.00 C ATOM 770 C LYS A 55 -1.142 1.303 9.357 1.00 0.00 C ATOM 771 O LYS A 55 -0.019 1.577 8.936 1.00 0.00 O ATOM 772 CB LYS A 55 -1.072 -0.537 11.138 1.00 0.00 C ATOM 773 CG LYS A 55 -1.783 -1.815 11.587 1.00 0.00 C ATOM 774 CD LYS A 55 -2.951 -1.493 12.523 1.00 0.00 C ATOM 775 CE LYS A 55 -3.934 -2.663 12.596 1.00 0.00 C ATOM 776 NZ LYS A 55 -3.984 -3.213 13.969 1.00 0.00 N ATOM 0 H LYS A 55 -0.047 -1.471 9.023 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.591 -0.205 9.719 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.007 -0.689 11.163 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.296 0.272 11.833 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.150 -2.357 10.715 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.075 -2.470 12.095 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.572 -1.269 13.520 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.468 -0.600 12.171 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.927 -2.330 12.295 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.633 -3.443 11.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.656 -4.006 14.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.039 -3.549 14.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.293 -2.471 14.629 1.00 0.00 H new ATOM 790 N SER A 56 -2.115 2.186 9.529 1.00 0.00 N ATOM 791 CA SER A 56 -1.914 3.591 9.220 1.00 0.00 C ATOM 792 C SER A 56 -0.819 4.173 10.118 1.00 0.00 C ATOM 793 O SER A 56 -0.772 3.884 11.312 1.00 0.00 O ATOM 794 CB SER A 56 -3.212 4.383 9.386 1.00 0.00 C ATOM 795 OG SER A 56 -3.356 5.388 8.386 1.00 0.00 O ATOM 0 H SER A 56 -3.045 1.955 9.879 1.00 0.00 H new ATOM 0 HA SER A 56 -1.602 3.671 8.179 1.00 0.00 H new ATOM 0 HB2 SER A 56 -4.061 3.701 9.340 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.230 4.847 10.372 1.00 0.00 H new ATOM 0 HG SER A 56 -3.257 6.273 8.795 1.00 0.00 H new ATOM 801 N PRO A 57 0.056 5.004 9.491 1.00 0.00 N ATOM 802 CA PRO A 57 1.147 5.629 10.220 1.00 0.00 C ATOM 803 C PRO A 57 0.635 6.773 11.098 1.00 0.00 C ATOM 804 O PRO A 57 1.247 7.103 12.112 1.00 0.00 O ATOM 805 CB PRO A 57 2.121 6.092 9.149 1.00 0.00 C ATOM 806 CG PRO A 57 1.329 6.127 7.852 1.00 0.00 C ATOM 807 CD PRO A 57 0.031 5.370 8.078 1.00 0.00 C ATOM 0 HA PRO A 57 1.635 4.946 10.915 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.524 7.076 9.387 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.968 5.411 9.071 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.124 7.156 7.557 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.901 5.672 7.043 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.835 5.990 7.845 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.028 4.487 7.441 1.00 0.00 H new ATOM 815 N LYS A 58 -0.481 7.347 10.675 1.00 0.00 N ATOM 816 CA LYS A 58 -1.082 8.447 11.410 1.00 0.00 C ATOM 817 C LYS A 58 -2.537 8.616 10.968 1.00 0.00 C ATOM 818 O LYS A 58 -2.985 7.958 10.030 1.00 0.00 O ATOM 819 CB LYS A 58 -0.241 9.716 11.256 1.00 0.00 C ATOM 820 CG LYS A 58 -0.300 10.243 9.821 1.00 0.00 C ATOM 821 CD LYS A 58 -1.110 11.538 9.745 1.00 0.00 C ATOM 822 CE LYS A 58 -0.230 12.754 10.042 1.00 0.00 C ATOM 823 NZ LYS A 58 -0.399 13.185 11.447 1.00 0.00 N ATOM 0 H LYS A 58 -0.985 7.071 9.832 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.097 8.229 12.478 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.602 10.481 11.943 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.793 9.506 11.528 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.711 10.420 9.453 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.748 9.491 9.172 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.551 11.637 8.753 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.934 11.498 10.458 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.815 12.509 9.854 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.491 13.572 9.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.006 14.140 11.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.411 13.194 11.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.101 12.524 12.075 1.00 0.00 H new ATOM 837 N ASP A 59 -3.234 9.502 11.663 1.00 0.00 N ATOM 838 CA ASP A 59 -4.629 9.766 11.354 1.00 0.00 C ATOM 839 C ASP A 59 -4.711 10.747 10.183 1.00 0.00 C ATOM 840 O ASP A 59 -4.153 11.841 10.245 1.00 0.00 O ATOM 841 CB ASP A 59 -5.348 10.396 12.549 1.00 0.00 C ATOM 842 CG ASP A 59 -4.524 11.417 13.335 1.00 0.00 C ATOM 843 OD1 ASP A 59 -3.801 10.975 14.254 1.00 0.00 O ATOM 844 OD2 ASP A 59 -4.635 12.616 12.999 1.00 0.00 O ATOM 0 H ASP A 59 -2.859 10.047 12.440 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.105 8.817 11.106 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.256 10.882 12.192 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.657 9.601 13.228 1.00 0.00 H new ATOM 849 N GLY A 60 -5.410 10.318 9.142 1.00 0.00 N ATOM 850 CA GLY A 60 -5.572 11.145 7.958 1.00 0.00 C ATOM 851 C GLY A 60 -6.769 10.681 7.125 1.00 0.00 C ATOM 852 O GLY A 60 -7.417 9.691 7.460 1.00 0.00 O ATOM 0 H GLY A 60 -5.870 9.409 9.094 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.711 12.185 8.253 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -4.666 11.103 7.354 1.00 0.00 H new ATOM 856 N THR A 61 -7.026 11.420 6.055 1.00 0.00 N ATOM 857 CA THR A 61 -8.133 11.097 5.172 1.00 0.00 C ATOM 858 C THR A 61 -7.612 10.663 3.800 1.00 0.00 C ATOM 859 O THR A 61 -7.154 11.493 3.015 1.00 0.00 O ATOM 860 CB THR A 61 -9.061 12.312 5.113 1.00 0.00 C ATOM 861 OG1 THR A 61 -9.688 12.332 6.392 1.00 0.00 O ATOM 862 CG2 THR A 61 -10.220 12.117 4.133 1.00 0.00 C ATOM 0 H THR A 61 -6.486 12.241 5.780 1.00 0.00 H new ATOM 0 HA THR A 61 -8.706 10.250 5.550 1.00 0.00 H new ATOM 0 HB THR A 61 -8.487 13.193 4.826 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.306 13.091 6.441 1.00 0.00 H new ATOM 0 HG21 THR A 61 -10.848 13.008 4.130 1.00 0.00 H new ATOM 0 HG22 THR A 61 -9.825 11.948 3.131 1.00 0.00 H new ATOM 0 HG23 THR A 61 -10.814 11.256 4.439 1.00 0.00 H new ATOM 870 N VAL A 62 -7.699 9.364 3.553 1.00 0.00 N ATOM 871 CA VAL A 62 -7.242 8.811 2.289 1.00 0.00 C ATOM 872 C VAL A 62 -7.715 9.708 1.144 1.00 0.00 C ATOM 873 O VAL A 62 -8.916 9.842 0.910 1.00 0.00 O ATOM 874 CB VAL A 62 -7.717 7.363 2.150 1.00 0.00 C ATOM 875 CG1 VAL A 62 -7.555 6.869 0.711 1.00 0.00 C ATOM 876 CG2 VAL A 62 -6.981 6.448 3.131 1.00 0.00 C ATOM 0 H VAL A 62 -8.079 8.679 4.206 1.00 0.00 H new ATOM 0 HA VAL A 62 -6.153 8.787 2.254 1.00 0.00 H new ATOM 0 HB VAL A 62 -8.778 7.333 2.397 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.900 5.837 0.639 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -8.145 7.496 0.042 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.505 6.921 0.424 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -7.337 5.425 3.012 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.910 6.485 2.930 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -7.170 6.781 4.151 1.00 0.00 H new ATOM 886 N LYS A 63 -6.747 10.299 0.459 1.00 0.00 N ATOM 887 CA LYS A 63 -7.049 11.179 -0.657 1.00 0.00 C ATOM 888 C LYS A 63 -7.460 10.339 -1.867 1.00 0.00 C ATOM 889 O LYS A 63 -8.545 10.524 -2.417 1.00 0.00 O ATOM 890 CB LYS A 63 -5.874 12.119 -0.931 1.00 0.00 C ATOM 891 CG LYS A 63 -6.152 13.005 -2.147 1.00 0.00 C ATOM 892 CD LYS A 63 -5.064 14.068 -2.312 1.00 0.00 C ATOM 893 CE LYS A 63 -5.412 15.038 -3.443 1.00 0.00 C ATOM 894 NZ LYS A 63 -5.510 16.421 -2.927 1.00 0.00 N ATOM 0 H LYS A 63 -5.753 10.186 0.655 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.894 11.824 -0.415 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.691 12.743 -0.056 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.969 11.536 -1.101 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.203 12.390 -3.045 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.123 13.488 -2.035 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.945 14.619 -1.379 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.109 13.586 -2.522 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.650 14.987 -4.221 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.357 14.747 -3.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.747 17.067 -3.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.253 16.469 -2.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.599 16.701 -2.510 1.00 0.00 H new ATOM 908 N LYS A 64 -6.571 9.432 -2.247 1.00 0.00 N ATOM 909 CA LYS A 64 -6.828 8.563 -3.383 1.00 0.00 C ATOM 910 C LYS A 64 -6.007 7.280 -3.233 1.00 0.00 C ATOM 911 O LYS A 64 -4.898 7.307 -2.702 1.00 0.00 O ATOM 912 CB LYS A 64 -6.573 9.306 -4.695 1.00 0.00 C ATOM 913 CG LYS A 64 -6.303 8.325 -5.838 1.00 0.00 C ATOM 914 CD LYS A 64 -4.804 8.070 -5.999 1.00 0.00 C ATOM 915 CE LYS A 64 -4.329 8.453 -7.402 1.00 0.00 C ATOM 916 NZ LYS A 64 -3.447 9.640 -7.345 1.00 0.00 N ATOM 0 H LYS A 64 -5.673 9.280 -1.788 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.878 8.270 -3.409 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.436 9.926 -4.939 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.722 9.976 -4.578 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.817 7.384 -5.643 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.710 8.723 -6.768 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.252 8.645 -5.255 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.589 7.018 -5.813 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.794 7.617 -7.852 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.189 8.662 -8.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.420 10.098 -8.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -3.814 10.311 -6.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.486 9.346 -7.076 1.00 0.00 H new ATOM 930 N VAL A 65 -6.584 6.187 -3.711 1.00 0.00 N ATOM 931 CA VAL A 65 -5.920 4.897 -3.637 1.00 0.00 C ATOM 932 C VAL A 65 -5.152 4.648 -4.937 1.00 0.00 C ATOM 933 O VAL A 65 -5.584 5.072 -6.008 1.00 0.00 O ATOM 934 CB VAL A 65 -6.940 3.800 -3.326 1.00 0.00 C ATOM 935 CG1 VAL A 65 -6.251 2.447 -3.139 1.00 0.00 C ATOM 936 CG2 VAL A 65 -7.778 4.163 -2.099 1.00 0.00 C ATOM 0 H VAL A 65 -7.504 6.169 -4.151 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.194 4.887 -2.824 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.613 3.717 -4.179 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.999 1.685 -2.919 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.719 2.180 -4.052 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.543 2.510 -2.312 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.495 3.367 -1.900 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.124 4.287 -1.236 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.313 5.094 -2.286 1.00 0.00 H new ATOM 946 N PHE A 66 -4.026 3.963 -4.800 1.00 0.00 N ATOM 947 CA PHE A 66 -3.194 3.653 -5.950 1.00 0.00 C ATOM 948 C PHE A 66 -3.339 2.183 -6.351 1.00 0.00 C ATOM 949 O PHE A 66 -3.379 1.861 -7.538 1.00 0.00 O ATOM 950 CB PHE A 66 -1.745 3.916 -5.537 1.00 0.00 C ATOM 951 CG PHE A 66 -1.353 5.395 -5.551 1.00 0.00 C ATOM 952 CD1 PHE A 66 -1.469 6.119 -6.696 1.00 0.00 C ATOM 953 CD2 PHE A 66 -0.888 5.985 -4.417 1.00 0.00 C ATOM 954 CE1 PHE A 66 -1.105 7.491 -6.709 1.00 0.00 C ATOM 955 CE2 PHE A 66 -0.525 7.358 -4.430 1.00 0.00 C ATOM 956 CZ PHE A 66 -0.640 8.082 -5.575 1.00 0.00 C ATOM 0 H PHE A 66 -3.671 3.614 -3.910 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.492 4.265 -6.801 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.586 3.518 -4.535 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.082 3.368 -6.207 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.838 5.650 -7.596 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.795 5.410 -3.508 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.197 8.066 -7.619 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.157 7.827 -3.530 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.362 9.126 -5.584 1.00 0.00 H new ATOM 966 N TYR A 67 -3.414 1.331 -5.339 1.00 0.00 N ATOM 967 CA TYR A 67 -3.554 -0.096 -5.572 1.00 0.00 C ATOM 968 C TYR A 67 -4.914 -0.600 -5.086 1.00 0.00 C ATOM 969 O TYR A 67 -5.411 -0.158 -4.051 1.00 0.00 O ATOM 970 CB TYR A 67 -2.452 -0.767 -4.750 1.00 0.00 C ATOM 971 CG TYR A 67 -1.035 -0.457 -5.238 1.00 0.00 C ATOM 972 CD1 TYR A 67 -0.648 -0.823 -6.511 1.00 0.00 C ATOM 973 CD2 TYR A 67 -0.144 0.189 -4.405 1.00 0.00 C ATOM 974 CE1 TYR A 67 0.685 -0.531 -6.971 1.00 0.00 C ATOM 975 CE2 TYR A 67 1.189 0.481 -4.865 1.00 0.00 C ATOM 976 CZ TYR A 67 1.538 0.106 -6.125 1.00 0.00 C ATOM 977 OH TYR A 67 2.797 0.382 -6.559 1.00 0.00 O ATOM 0 H TYR A 67 -3.380 1.602 -4.356 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.478 -0.320 -6.636 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.545 -0.451 -3.711 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.604 -1.846 -4.770 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.345 -1.329 -7.163 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.446 0.475 -3.409 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.000 -0.812 -7.965 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.896 0.987 -4.224 1.00 0.00 H new ATOM 0 HH TYR A 67 3.123 1.195 -6.120 1.00 0.00 H new ATOM 987 N ARG A 68 -5.479 -1.519 -5.856 1.00 0.00 N ATOM 988 CA ARG A 68 -6.772 -2.088 -5.517 1.00 0.00 C ATOM 989 C ARG A 68 -6.622 -3.566 -5.152 1.00 0.00 C ATOM 990 O ARG A 68 -5.508 -4.081 -5.078 1.00 0.00 O ATOM 991 CB ARG A 68 -7.755 -1.955 -6.682 1.00 0.00 C ATOM 992 CG ARG A 68 -7.915 -0.491 -7.099 1.00 0.00 C ATOM 993 CD ARG A 68 -9.353 -0.015 -6.885 1.00 0.00 C ATOM 994 NE ARG A 68 -9.354 1.334 -6.276 1.00 0.00 N ATOM 995 CZ ARG A 68 -9.248 2.473 -6.973 1.00 0.00 C ATOM 996 NH1 ARG A 68 -9.132 2.433 -8.308 1.00 0.00 N ATOM 997 NH2 ARG A 68 -9.258 3.652 -6.337 1.00 0.00 N ATOM 0 H ARG A 68 -5.064 -1.884 -6.714 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.163 -1.537 -4.662 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.402 -2.542 -7.530 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -8.724 -2.363 -6.394 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.232 0.132 -6.522 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.642 -0.376 -8.148 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.883 0.006 -7.837 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.884 -0.715 -6.240 1.00 0.00 H new ATOM 0 HE ARG A 68 -9.441 1.401 -5.262 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.125 1.535 -8.793 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -9.051 3.300 -8.839 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -9.346 3.683 -5.321 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.177 4.519 -6.868 1.00 0.00 H new ATOM 1011 N GLU A 69 -7.761 -4.207 -4.933 1.00 0.00 N ATOM 1012 CA GLU A 69 -7.770 -5.616 -4.577 1.00 0.00 C ATOM 1013 C GLU A 69 -7.095 -6.444 -5.672 1.00 0.00 C ATOM 1014 O GLU A 69 -7.173 -6.102 -6.851 1.00 0.00 O ATOM 1015 CB GLU A 69 -9.196 -6.107 -4.319 1.00 0.00 C ATOM 1016 CG GLU A 69 -9.612 -5.846 -2.870 1.00 0.00 C ATOM 1017 CD GLU A 69 -11.018 -6.384 -2.598 1.00 0.00 C ATOM 1018 OE1 GLU A 69 -11.329 -7.464 -3.145 1.00 0.00 O ATOM 1019 OE2 GLU A 69 -11.751 -5.702 -1.848 1.00 0.00 O ATOM 0 H GLU A 69 -8.684 -3.777 -4.995 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.205 -5.741 -3.653 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.886 -5.603 -4.996 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.262 -7.174 -4.533 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.901 -6.319 -2.193 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.583 -4.776 -2.667 1.00 0.00 H new ATOM 1026 N GLY A 70 -6.448 -7.518 -5.243 1.00 0.00 N ATOM 1027 CA GLY A 70 -5.760 -8.398 -6.172 1.00 0.00 C ATOM 1028 C GLY A 70 -4.812 -7.607 -7.077 1.00 0.00 C ATOM 1029 O GLY A 70 -4.715 -7.882 -8.272 1.00 0.00 O ATOM 0 H GLY A 70 -6.386 -7.799 -4.264 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.197 -9.149 -5.618 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.490 -8.931 -6.781 1.00 0.00 H new ATOM 1033 N ALA A 71 -4.137 -6.641 -6.471 1.00 0.00 N ATOM 1034 CA ALA A 71 -3.200 -5.809 -7.207 1.00 0.00 C ATOM 1035 C ALA A 71 -1.782 -6.068 -6.693 1.00 0.00 C ATOM 1036 O ALA A 71 -1.582 -6.295 -5.501 1.00 0.00 O ATOM 1037 CB ALA A 71 -3.609 -4.340 -7.074 1.00 0.00 C ATOM 0 H ALA A 71 -4.220 -6.416 -5.480 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.217 -6.058 -8.268 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.907 -3.715 -7.626 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.612 -4.203 -7.479 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.600 -4.054 -6.022 1.00 0.00 H new ATOM 1043 N GLN A 72 -0.835 -6.025 -7.619 1.00 0.00 N ATOM 1044 CA GLN A 72 0.558 -6.253 -7.275 1.00 0.00 C ATOM 1045 C GLN A 72 1.302 -4.920 -7.165 1.00 0.00 C ATOM 1046 O GLN A 72 1.276 -4.112 -8.092 1.00 0.00 O ATOM 1047 CB GLN A 72 1.231 -7.174 -8.294 1.00 0.00 C ATOM 1048 CG GLN A 72 2.755 -7.090 -8.186 1.00 0.00 C ATOM 1049 CD GLN A 72 3.404 -8.435 -8.519 1.00 0.00 C ATOM 1050 OE1 GLN A 72 3.212 -9.000 -9.583 1.00 0.00 O ATOM 1051 NE2 GLN A 72 4.180 -8.915 -7.551 1.00 0.00 N ATOM 0 H GLN A 72 -1.005 -5.836 -8.607 1.00 0.00 H new ATOM 0 HA GLN A 72 0.596 -6.750 -6.305 1.00 0.00 H new ATOM 0 HB2 GLN A 72 0.907 -8.202 -8.130 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.918 -6.898 -9.301 1.00 0.00 H new ATOM 0 HG2 GLN A 72 3.129 -6.324 -8.865 1.00 0.00 H new ATOM 0 HG3 GLN A 72 3.035 -6.787 -7.177 1.00 0.00 H new ATOM 0 HE21 GLN A 72 4.298 -8.390 -6.684 1.00 0.00 H new ATOM 0 HE22 GLN A 72 4.658 -9.808 -7.676 1.00 0.00 H new ATOM 1060 N ALA A 73 1.947 -4.732 -6.023 1.00 0.00 N ATOM 1061 CA ALA A 73 2.697 -3.511 -5.780 1.00 0.00 C ATOM 1062 C ALA A 73 4.087 -3.869 -5.248 1.00 0.00 C ATOM 1063 O ALA A 73 4.299 -4.973 -4.750 1.00 0.00 O ATOM 1064 CB ALA A 73 1.916 -2.616 -4.816 1.00 0.00 C ATOM 0 H ALA A 73 1.966 -5.404 -5.256 1.00 0.00 H new ATOM 0 HA ALA A 73 2.832 -2.952 -6.706 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.478 -1.700 -4.633 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.949 -2.367 -5.253 1.00 0.00 H new ATOM 0 HB3 ALA A 73 1.764 -3.142 -3.874 1.00 0.00 H new ATOM 1070 N ASN A 74 4.996 -2.913 -5.371 1.00 0.00 N ATOM 1071 CA ASN A 74 6.359 -3.114 -4.909 1.00 0.00 C ATOM 1072 C ASN A 74 6.536 -2.439 -3.547 1.00 0.00 C ATOM 1073 O ASN A 74 5.683 -1.661 -3.121 1.00 0.00 O ATOM 1074 CB ASN A 74 7.366 -2.492 -5.879 1.00 0.00 C ATOM 1075 CG ASN A 74 7.388 -3.250 -7.208 1.00 0.00 C ATOM 1076 OD1 ASN A 74 7.642 -4.442 -7.268 1.00 0.00 O ATOM 1077 ND2 ASN A 74 7.107 -2.495 -8.266 1.00 0.00 N ATOM 0 H ASN A 74 4.816 -1.998 -5.784 1.00 0.00 H new ATOM 0 HA ASN A 74 6.538 -4.187 -4.842 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.108 -1.448 -6.056 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.361 -2.504 -5.433 1.00 0.00 H new ATOM 0 HD21 ASN A 74 7.095 -2.908 -9.199 1.00 0.00 H new ATOM 0 HD22 ASN A 74 6.903 -1.503 -8.145 1.00 0.00 H new ATOM 1084 N ARG A 75 7.647 -2.761 -2.903 1.00 0.00 N ATOM 1085 CA ARG A 75 7.946 -2.196 -1.598 1.00 0.00 C ATOM 1086 C ARG A 75 8.469 -0.765 -1.746 1.00 0.00 C ATOM 1087 O ARG A 75 9.126 -0.440 -2.734 1.00 0.00 O ATOM 1088 CB ARG A 75 8.988 -3.038 -0.858 1.00 0.00 C ATOM 1089 CG ARG A 75 9.035 -2.672 0.626 1.00 0.00 C ATOM 1090 CD ARG A 75 10.206 -3.366 1.325 1.00 0.00 C ATOM 1091 NE ARG A 75 10.375 -2.822 2.691 1.00 0.00 N ATOM 1092 CZ ARG A 75 11.079 -3.426 3.659 1.00 0.00 C ATOM 1093 NH1 ARG A 75 11.684 -4.597 3.416 1.00 0.00 N ATOM 1094 NH2 ARG A 75 11.178 -2.859 4.869 1.00 0.00 N ATOM 0 H ARG A 75 8.352 -3.406 -3.260 1.00 0.00 H new ATOM 0 HA ARG A 75 7.022 -2.191 -1.020 1.00 0.00 H new ATOM 0 HB2 ARG A 75 8.750 -4.096 -0.968 1.00 0.00 H new ATOM 0 HB3 ARG A 75 9.970 -2.884 -1.306 1.00 0.00 H new ATOM 0 HG2 ARG A 75 9.130 -1.592 0.735 1.00 0.00 H new ATOM 0 HG3 ARG A 75 8.099 -2.959 1.105 1.00 0.00 H new ATOM 0 HD2 ARG A 75 10.027 -4.440 1.372 1.00 0.00 H new ATOM 0 HD3 ARG A 75 11.121 -3.220 0.751 1.00 0.00 H new ATOM 0 HE ARG A 75 9.928 -1.932 2.910 1.00 0.00 H new ATOM 0 HH11 ARG A 75 11.609 -5.028 2.495 1.00 0.00 H new ATOM 0 HH12 ARG A 75 12.220 -5.057 4.152 1.00 0.00 H new ATOM 0 HH21 ARG A 75 10.718 -1.968 5.054 1.00 0.00 H new ATOM 0 HH22 ARG A 75 11.714 -3.319 5.605 1.00 0.00 H new ATOM 1108 N HIS A 76 8.156 0.051 -0.750 1.00 0.00 N ATOM 1109 CA HIS A 76 8.586 1.439 -0.758 1.00 0.00 C ATOM 1110 C HIS A 76 7.518 2.303 -1.431 1.00 0.00 C ATOM 1111 O HIS A 76 7.292 3.443 -1.028 1.00 0.00 O ATOM 1112 CB HIS A 76 9.961 1.579 -1.413 1.00 0.00 C ATOM 1113 CG HIS A 76 10.916 0.456 -1.083 1.00 0.00 C ATOM 1114 ND1 HIS A 76 11.568 -0.284 -2.054 1.00 0.00 N ATOM 1115 CD2 HIS A 76 11.322 -0.044 0.119 1.00 0.00 C ATOM 1116 CE1 HIS A 76 12.328 -1.186 -1.452 1.00 0.00 C ATOM 1117 NE2 HIS A 76 12.175 -1.036 -0.105 1.00 0.00 N ATOM 0 H HIS A 76 7.610 -0.222 0.067 1.00 0.00 H new ATOM 0 HA HIS A 76 8.699 1.794 0.266 1.00 0.00 H new ATOM 0 HB2 HIS A 76 9.834 1.628 -2.494 1.00 0.00 H new ATOM 0 HB3 HIS A 76 10.406 2.524 -1.101 1.00 0.00 H new ATOM 0 HD2 HIS A 76 11.003 0.308 1.089 1.00 0.00 H new ATOM 0 HE1 HIS A 76 12.959 -1.913 -1.942 1.00 0.00 H new ATOM 0 HE2 HIS A 76 12.639 -1.594 0.612 1.00 0.00 H new ATOM 1125 N THR A 77 6.889 1.727 -2.445 1.00 0.00 N ATOM 1126 CA THR A 77 5.850 2.431 -3.178 1.00 0.00 C ATOM 1127 C THR A 77 4.733 2.870 -2.230 1.00 0.00 C ATOM 1128 O THR A 77 4.455 2.197 -1.239 1.00 0.00 O ATOM 1129 CB THR A 77 5.366 1.517 -4.306 1.00 0.00 C ATOM 1130 OG1 THR A 77 4.691 0.460 -3.630 1.00 0.00 O ATOM 1131 CG2 THR A 77 6.519 0.820 -5.031 1.00 0.00 C ATOM 0 H THR A 77 7.079 0.781 -2.776 1.00 0.00 H new ATOM 0 HA THR A 77 6.233 3.348 -3.625 1.00 0.00 H new ATOM 0 HB THR A 77 4.787 2.100 -5.022 1.00 0.00 H new ATOM 0 HG1 THR A 77 5.339 -0.226 -3.366 1.00 0.00 H new ATOM 0 HG21 THR A 77 6.120 0.184 -5.821 1.00 0.00 H new ATOM 0 HG22 THR A 77 7.180 1.569 -5.467 1.00 0.00 H new ATOM 0 HG23 THR A 77 7.079 0.210 -4.322 1.00 0.00 H new ATOM 1139 N PRO A 78 4.106 4.026 -2.577 1.00 0.00 N ATOM 1140 CA PRO A 78 3.025 4.563 -1.768 1.00 0.00 C ATOM 1141 C PRO A 78 1.737 3.763 -1.973 1.00 0.00 C ATOM 1142 O PRO A 78 1.196 3.723 -3.077 1.00 0.00 O ATOM 1143 CB PRO A 78 2.897 6.015 -2.197 1.00 0.00 C ATOM 1144 CG PRO A 78 3.588 6.114 -3.547 1.00 0.00 C ATOM 1145 CD PRO A 78 4.409 4.849 -3.744 1.00 0.00 C ATOM 0 HA PRO A 78 3.225 4.494 -0.699 1.00 0.00 H new ATOM 0 HB2 PRO A 78 1.850 6.309 -2.272 1.00 0.00 H new ATOM 0 HB3 PRO A 78 3.364 6.680 -1.470 1.00 0.00 H new ATOM 0 HG2 PRO A 78 2.853 6.220 -4.345 1.00 0.00 H new ATOM 0 HG3 PRO A 78 4.229 6.995 -3.584 1.00 0.00 H new ATOM 0 HD2 PRO A 78 4.137 4.340 -4.669 1.00 0.00 H new ATOM 0 HD3 PRO A 78 5.474 5.073 -3.805 1.00 0.00 H new ATOM 1153 N LEU A 79 1.284 3.145 -0.892 1.00 0.00 N ATOM 1154 CA LEU A 79 0.070 2.348 -0.939 1.00 0.00 C ATOM 1155 C LEU A 79 -1.134 3.272 -1.137 1.00 0.00 C ATOM 1156 O LEU A 79 -1.909 3.095 -2.076 1.00 0.00 O ATOM 1157 CB LEU A 79 -0.035 1.457 0.300 1.00 0.00 C ATOM 1158 CG LEU A 79 1.102 0.455 0.504 1.00 0.00 C ATOM 1159 CD1 LEU A 79 1.088 -0.109 1.927 1.00 0.00 C ATOM 1160 CD2 LEU A 79 1.054 -0.652 -0.551 1.00 0.00 C ATOM 0 H LEU A 79 1.736 3.180 0.022 1.00 0.00 H new ATOM 0 HA LEU A 79 0.094 1.668 -1.790 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.090 2.098 1.180 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.974 0.905 0.248 1.00 0.00 H new ATOM 0 HG LEU A 79 2.048 0.982 0.375 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.907 -0.819 2.045 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.207 0.705 2.642 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.140 -0.615 2.108 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.873 -1.351 -0.383 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.104 -1.182 -0.479 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.150 -0.213 -1.544 1.00 0.00 H new ATOM 1172 N VAL A 80 -1.253 4.236 -0.236 1.00 0.00 N ATOM 1173 CA VAL A 80 -2.350 5.188 -0.300 1.00 0.00 C ATOM 1174 C VAL A 80 -1.798 6.606 -0.141 1.00 0.00 C ATOM 1175 O VAL A 80 -0.698 6.794 0.376 1.00 0.00 O ATOM 1176 CB VAL A 80 -3.408 4.837 0.749 1.00 0.00 C ATOM 1177 CG1 VAL A 80 -4.217 3.611 0.322 1.00 0.00 C ATOM 1178 CG2 VAL A 80 -2.769 4.622 2.122 1.00 0.00 C ATOM 0 H VAL A 80 -0.609 4.379 0.542 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.844 5.138 -1.270 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.094 5.680 0.828 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.962 3.383 1.085 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -4.718 3.817 -0.624 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.549 2.758 0.201 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.543 4.374 2.849 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.050 3.805 2.065 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.259 5.534 2.433 1.00 0.00 H new ATOM 1188 N GLU A 81 -2.587 7.568 -0.597 1.00 0.00 N ATOM 1189 CA GLU A 81 -2.192 8.963 -0.512 1.00 0.00 C ATOM 1190 C GLU A 81 -3.097 9.713 0.467 1.00 0.00 C ATOM 1191 O GLU A 81 -4.312 9.766 0.279 1.00 0.00 O ATOM 1192 CB GLU A 81 -2.211 9.623 -1.892 1.00 0.00 C ATOM 1193 CG GLU A 81 -1.304 10.855 -1.924 1.00 0.00 C ATOM 1194 CD GLU A 81 -0.513 10.920 -3.232 1.00 0.00 C ATOM 1195 OE1 GLU A 81 -1.162 10.800 -4.294 1.00 0.00 O ATOM 1196 OE2 GLU A 81 0.722 11.088 -3.141 1.00 0.00 O ATOM 0 H GLU A 81 -3.498 7.408 -1.027 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.169 9.008 -0.138 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.884 8.907 -2.646 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.231 9.911 -2.147 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.906 11.757 -1.814 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.615 10.826 -1.080 1.00 0.00 H new ATOM 1203 N PHE A 82 -2.471 10.274 1.491 1.00 0.00 N ATOM 1204 CA PHE A 82 -3.205 11.019 2.500 1.00 0.00 C ATOM 1205 C PHE A 82 -3.571 12.415 1.993 1.00 0.00 C ATOM 1206 O PHE A 82 -2.903 12.954 1.111 1.00 0.00 O ATOM 1207 CB PHE A 82 -2.284 11.155 3.714 1.00 0.00 C ATOM 1208 CG PHE A 82 -2.345 9.968 4.677 1.00 0.00 C ATOM 1209 CD1 PHE A 82 -3.535 9.588 5.214 1.00 0.00 C ATOM 1210 CD2 PHE A 82 -1.208 9.292 4.997 1.00 0.00 C ATOM 1211 CE1 PHE A 82 -3.592 8.486 6.108 1.00 0.00 C ATOM 1212 CE2 PHE A 82 -1.265 8.191 5.891 1.00 0.00 C ATOM 1213 CZ PHE A 82 -2.455 7.811 6.428 1.00 0.00 C ATOM 0 H PHE A 82 -1.464 10.228 1.644 1.00 0.00 H new ATOM 0 HA PHE A 82 -4.130 10.498 2.748 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.258 11.276 3.367 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.546 12.063 4.256 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.437 10.125 4.961 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -0.262 9.593 4.571 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.538 8.184 6.534 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -0.363 7.655 6.145 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.498 6.973 7.108 1.00 0.00 H new ATOM 1223 N GLU A 83 -4.629 12.962 2.573 1.00 0.00 N ATOM 1224 CA GLU A 83 -5.091 14.286 2.191 1.00 0.00 C ATOM 1225 C GLU A 83 -4.096 15.350 2.656 1.00 0.00 C ATOM 1226 O GLU A 83 -3.258 15.088 3.517 1.00 0.00 O ATOM 1227 CB GLU A 83 -6.489 14.561 2.749 1.00 0.00 C ATOM 1228 CG GLU A 83 -7.571 14.080 1.781 1.00 0.00 C ATOM 1229 CD GLU A 83 -7.789 15.093 0.655 1.00 0.00 C ATOM 1230 OE1 GLU A 83 -6.786 15.722 0.256 1.00 0.00 O ATOM 1231 OE2 GLU A 83 -8.954 15.215 0.220 1.00 0.00 O ATOM 0 H GLU A 83 -5.180 12.513 3.305 1.00 0.00 H new ATOM 0 HA GLU A 83 -5.155 14.327 1.104 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.606 14.059 3.709 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -6.608 15.629 2.931 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -7.284 13.117 1.358 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.505 13.925 2.322 1.00 0.00 H new ATOM 1238 N GLU A 84 -4.221 16.530 2.066 1.00 0.00 N ATOM 1239 CA GLU A 84 -3.342 17.635 2.409 1.00 0.00 C ATOM 1240 C GLU A 84 -3.798 18.290 3.714 1.00 0.00 C ATOM 1241 O GLU A 84 -4.490 19.308 3.694 1.00 0.00 O ATOM 1242 CB GLU A 84 -3.280 18.659 1.274 1.00 0.00 C ATOM 1243 CG GLU A 84 -1.846 19.141 1.047 1.00 0.00 C ATOM 1244 CD GLU A 84 -1.825 20.438 0.236 1.00 0.00 C ATOM 1245 OE1 GLU A 84 -2.165 20.362 -0.965 1.00 0.00 O ATOM 1246 OE2 GLU A 84 -1.470 21.476 0.834 1.00 0.00 O ATOM 0 H GLU A 84 -4.918 16.745 1.353 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.336 17.242 2.555 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.667 18.215 0.357 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.920 19.509 1.511 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.356 19.301 2.007 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.279 18.371 0.524 1.00 0.00 H new ATOM 1253 N GLU A 85 -3.393 17.681 4.818 1.00 0.00 N ATOM 1254 CA GLU A 85 -3.751 18.192 6.130 1.00 0.00 C ATOM 1255 C GLU A 85 -2.781 19.297 6.552 1.00 0.00 C ATOM 1256 O GLU A 85 -1.680 19.401 6.013 1.00 0.00 O ATOM 1257 CB GLU A 85 -3.785 17.067 7.166 1.00 0.00 C ATOM 1258 CG GLU A 85 -2.376 16.552 7.463 1.00 0.00 C ATOM 1259 CD GLU A 85 -2.245 15.071 7.100 1.00 0.00 C ATOM 1260 OE1 GLU A 85 -2.531 14.241 7.990 1.00 0.00 O ATOM 1261 OE2 GLU A 85 -1.862 14.803 5.941 1.00 0.00 O ATOM 0 H GLU A 85 -2.820 16.837 4.831 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.753 18.618 6.072 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -4.245 17.429 8.086 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -4.405 16.249 6.799 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.646 17.134 6.900 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -2.149 16.692 8.520 1.00 0.00 H new ATOM 1268 N GLU A 86 -3.224 20.094 7.514 1.00 0.00 N ATOM 1269 CA GLU A 86 -2.409 21.188 8.014 1.00 0.00 C ATOM 1270 C GLU A 86 -2.599 21.343 9.524 1.00 0.00 C ATOM 1271 O GLU A 86 -3.645 20.983 10.062 1.00 0.00 O ATOM 1272 CB GLU A 86 -2.732 22.492 7.283 1.00 0.00 C ATOM 1273 CG GLU A 86 -1.877 22.640 6.023 1.00 0.00 C ATOM 1274 CD GLU A 86 -1.660 24.115 5.678 1.00 0.00 C ATOM 1275 OE1 GLU A 86 -0.685 24.685 6.215 1.00 0.00 O ATOM 1276 OE2 GLU A 86 -2.473 24.639 4.887 1.00 0.00 O ATOM 0 H GLU A 86 -4.137 20.004 7.960 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.362 20.953 7.821 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -3.788 22.511 7.014 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -2.557 23.338 7.947 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.914 22.152 6.173 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -2.363 22.135 5.188 1.00 0.00 H new ATOM 1283 N SER A 87 -1.572 21.881 10.166 1.00 0.00 N ATOM 1284 CA SER A 87 -1.613 22.088 11.604 1.00 0.00 C ATOM 1285 C SER A 87 -1.896 20.764 12.316 1.00 0.00 C ATOM 1286 O SER A 87 -3.028 20.284 12.315 1.00 0.00 O ATOM 1287 CB SER A 87 -2.670 23.129 11.979 1.00 0.00 C ATOM 1288 OG SER A 87 -2.152 24.456 11.932 1.00 0.00 O ATOM 0 H SER A 87 -0.706 22.180 9.717 1.00 0.00 H new ATOM 0 HA SER A 87 -0.641 22.464 11.924 1.00 0.00 H new ATOM 0 HB2 SER A 87 -3.518 23.046 11.299 1.00 0.00 H new ATOM 0 HB3 SER A 87 -3.044 22.921 12.981 1.00 0.00 H new ATOM 0 HG SER A 87 -2.857 25.091 12.176 1.00 0.00 H new ATOM 1294 N ASP A 88 -0.847 20.211 12.907 1.00 0.00 N ATOM 1295 CA ASP A 88 -0.968 18.952 13.622 1.00 0.00 C ATOM 1296 C ASP A 88 0.369 18.617 14.286 1.00 0.00 C ATOM 1297 O ASP A 88 1.248 18.029 13.659 1.00 0.00 O ATOM 1298 CB ASP A 88 -1.321 17.809 12.668 1.00 0.00 C ATOM 1299 CG ASP A 88 -2.523 16.962 13.090 1.00 0.00 C ATOM 1300 OD1 ASP A 88 -2.574 16.606 14.287 1.00 0.00 O ATOM 1301 OD2 ASP A 88 -3.365 16.690 12.207 1.00 0.00 O ATOM 0 H ASP A 88 0.091 20.612 12.905 1.00 0.00 H new ATOM 0 HA ASP A 88 -1.759 19.060 14.364 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -1.519 18.228 11.681 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -0.453 17.157 12.569 1.00 0.00 H new ATOM 1306 N LYS A 89 0.480 19.006 15.548 1.00 0.00 N ATOM 1307 CA LYS A 89 1.694 18.755 16.304 1.00 0.00 C ATOM 1308 C LYS A 89 1.343 18.005 17.591 1.00 0.00 C ATOM 1309 O LYS A 89 0.981 18.620 18.593 1.00 0.00 O ATOM 1310 CB LYS A 89 2.458 20.059 16.542 1.00 0.00 C ATOM 1311 CG LYS A 89 3.680 19.825 17.432 1.00 0.00 C ATOM 1312 CD LYS A 89 4.975 19.936 16.625 1.00 0.00 C ATOM 1313 CE LYS A 89 5.950 18.817 16.996 1.00 0.00 C ATOM 1314 NZ LYS A 89 7.336 19.334 17.051 1.00 0.00 N ATOM 0 H LYS A 89 -0.252 19.493 16.065 1.00 0.00 H new ATOM 0 HA LYS A 89 2.370 18.116 15.736 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.774 20.479 15.587 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.799 20.791 17.009 1.00 0.00 H new ATOM 0 HG2 LYS A 89 3.689 20.554 18.243 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.617 18.838 17.891 1.00 0.00 H new ATOM 0 HD2 LYS A 89 4.749 19.888 15.560 1.00 0.00 H new ATOM 0 HD3 LYS A 89 5.440 20.904 16.809 1.00 0.00 H new ATOM 0 HE2 LYS A 89 5.675 18.393 17.962 1.00 0.00 H new ATOM 0 HE3 LYS A 89 5.885 18.012 16.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 7.985 18.562 17.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 7.601 19.718 16.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 7.398 20.086 17.766 1.00 0.00 H new ATOM 1328 N ARG A 90 1.462 16.687 17.521 1.00 0.00 N ATOM 1329 CA ARG A 90 1.161 15.847 18.668 1.00 0.00 C ATOM 1330 C ARG A 90 2.015 16.261 19.868 1.00 0.00 C ATOM 1331 O ARG A 90 3.165 16.667 19.705 1.00 0.00 O ATOM 1332 CB ARG A 90 1.418 14.372 18.352 1.00 0.00 C ATOM 1333 CG ARG A 90 0.131 13.553 18.474 1.00 0.00 C ATOM 1334 CD ARG A 90 0.275 12.461 19.537 1.00 0.00 C ATOM 1335 NE ARG A 90 -0.538 12.802 20.726 1.00 0.00 N ATOM 1336 CZ ARG A 90 -0.559 12.079 21.854 1.00 0.00 C ATOM 1337 NH1 ARG A 90 0.188 10.971 21.953 1.00 0.00 N ATOM 1338 NH2 ARG A 90 -1.327 12.464 22.882 1.00 0.00 N ATOM 0 H ARG A 90 1.763 16.180 16.688 1.00 0.00 H new ATOM 0 HA ARG A 90 0.106 15.977 18.907 1.00 0.00 H new ATOM 0 HB2 ARG A 90 1.819 14.277 17.343 1.00 0.00 H new ATOM 0 HB3 ARG A 90 2.171 13.976 19.033 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -0.699 14.210 18.733 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -0.109 13.100 17.512 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -0.045 11.502 19.130 1.00 0.00 H new ATOM 0 HD3 ARG A 90 1.322 12.354 19.821 1.00 0.00 H new ATOM 0 HE ARG A 90 -1.119 13.640 20.684 1.00 0.00 H new ATOM 0 HH11 ARG A 90 0.772 10.678 21.170 1.00 0.00 H new ATOM 0 HH12 ARG A 90 0.172 10.420 22.811 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -1.896 13.307 22.806 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -1.343 11.914 23.741 1.00 0.00 H new ATOM 1352 N GLU A 91 1.420 16.143 21.046 1.00 0.00 N ATOM 1353 CA GLU A 91 2.112 16.500 22.273 1.00 0.00 C ATOM 1354 C GLU A 91 2.328 15.259 23.141 1.00 0.00 C ATOM 1355 O GLU A 91 1.534 14.321 23.097 1.00 0.00 O ATOM 1356 CB GLU A 91 1.346 17.579 23.040 1.00 0.00 C ATOM 1357 CG GLU A 91 1.424 18.926 22.319 1.00 0.00 C ATOM 1358 CD GLU A 91 1.654 20.068 23.311 1.00 0.00 C ATOM 1359 OE1 GLU A 91 2.340 19.810 24.324 1.00 0.00 O ATOM 1360 OE2 GLU A 91 1.137 21.172 23.036 1.00 0.00 O ATOM 0 H GLU A 91 0.466 15.805 21.177 1.00 0.00 H new ATOM 0 HA GLU A 91 3.087 16.910 22.011 1.00 0.00 H new ATOM 0 HB2 GLU A 91 0.303 17.281 23.149 1.00 0.00 H new ATOM 0 HB3 GLU A 91 1.757 17.676 24.045 1.00 0.00 H new ATOM 0 HG2 GLU A 91 2.233 18.905 21.589 1.00 0.00 H new ATOM 0 HG3 GLU A 91 0.501 19.100 21.766 1.00 0.00 H new ATOM 1367 N SER A 92 3.407 15.294 23.908 1.00 0.00 N ATOM 1368 CA SER A 92 3.738 14.183 24.785 1.00 0.00 C ATOM 1369 C SER A 92 4.876 14.581 25.727 1.00 0.00 C ATOM 1370 O SER A 92 6.030 14.669 25.309 1.00 0.00 O ATOM 1371 CB SER A 92 4.125 12.942 23.979 1.00 0.00 C ATOM 1372 OG SER A 92 3.706 11.739 24.618 1.00 0.00 O ATOM 0 H SER A 92 4.064 16.074 23.941 1.00 0.00 H new ATOM 0 HA SER A 92 2.855 13.938 25.376 1.00 0.00 H new ATOM 0 HB2 SER A 92 3.678 13.000 22.987 1.00 0.00 H new ATOM 0 HB3 SER A 92 5.206 12.922 23.841 1.00 0.00 H new ATOM 0 HG SER A 92 3.970 10.969 24.072 1.00 0.00 H new ATOM 1378 N GLU A 93 4.512 14.810 26.980 1.00 0.00 N ATOM 1379 CA GLU A 93 5.488 15.197 27.984 1.00 0.00 C ATOM 1380 C GLU A 93 5.948 13.971 28.777 1.00 0.00 C ATOM 1381 O GLU A 93 5.218 12.987 28.883 1.00 0.00 O ATOM 1382 CB GLU A 93 4.922 16.270 28.915 1.00 0.00 C ATOM 1383 CG GLU A 93 5.203 17.672 28.370 1.00 0.00 C ATOM 1384 CD GLU A 93 6.682 18.033 28.522 1.00 0.00 C ATOM 1385 OE1 GLU A 93 7.478 17.520 27.706 1.00 0.00 O ATOM 1386 OE2 GLU A 93 6.984 18.814 29.451 1.00 0.00 O ATOM 0 H GLU A 93 3.554 14.735 27.323 1.00 0.00 H new ATOM 0 HA GLU A 93 6.353 15.623 27.476 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.847 16.128 29.028 1.00 0.00 H new ATOM 0 HB3 GLU A 93 5.363 16.166 29.906 1.00 0.00 H new ATOM 0 HG2 GLU A 93 4.919 17.721 27.319 1.00 0.00 H new ATOM 0 HG3 GLU A 93 4.591 18.402 28.900 1.00 0.00 H new ATOM 1393 N SER A 94 7.156 14.071 29.313 1.00 0.00 N ATOM 1394 CA SER A 94 7.721 12.983 30.092 1.00 0.00 C ATOM 1395 C SER A 94 8.701 13.536 31.129 1.00 0.00 C ATOM 1396 O SER A 94 9.068 14.709 31.077 1.00 0.00 O ATOM 1397 CB SER A 94 8.422 11.966 29.190 1.00 0.00 C ATOM 1398 OG SER A 94 7.533 10.946 28.743 1.00 0.00 O ATOM 0 H SER A 94 7.759 14.889 29.223 1.00 0.00 H new ATOM 0 HA SER A 94 6.907 12.472 30.606 1.00 0.00 H new ATOM 0 HB2 SER A 94 8.848 12.479 28.328 1.00 0.00 H new ATOM 0 HB3 SER A 94 9.251 11.512 29.732 1.00 0.00 H new ATOM 0 HG SER A 94 6.628 11.313 28.663 1.00 0.00 H new ATOM 1404 N GLY A 95 9.096 12.666 32.047 1.00 0.00 N ATOM 1405 CA GLY A 95 10.025 13.053 33.094 1.00 0.00 C ATOM 1406 C GLY A 95 11.393 12.402 32.881 1.00 0.00 C ATOM 1407 O GLY A 95 11.519 11.180 32.934 1.00 0.00 O ATOM 0 H GLY A 95 8.789 11.694 32.087 1.00 0.00 H new ATOM 0 HA2 GLY A 95 10.132 14.138 33.107 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.626 12.760 34.065 1.00 0.00 H new ATOM 1411 N PRO A 96 12.411 13.271 32.637 1.00 0.00 N ATOM 1412 CA PRO A 96 13.765 12.794 32.415 1.00 0.00 C ATOM 1413 C PRO A 96 14.412 12.350 33.729 1.00 0.00 C ATOM 1414 O PRO A 96 13.996 12.776 34.805 1.00 0.00 O ATOM 1415 CB PRO A 96 14.490 13.958 31.760 1.00 0.00 C ATOM 1416 CG PRO A 96 13.655 15.191 32.061 1.00 0.00 C ATOM 1417 CD PRO A 96 12.300 14.725 32.567 1.00 0.00 C ATOM 0 HA PRO A 96 13.800 11.911 31.777 1.00 0.00 H new ATOM 0 HB2 PRO A 96 15.499 14.063 32.158 1.00 0.00 H new ATOM 0 HB3 PRO A 96 14.585 13.804 30.685 1.00 0.00 H new ATOM 0 HG2 PRO A 96 14.148 15.813 32.808 1.00 0.00 H new ATOM 0 HG3 PRO A 96 13.539 15.801 31.165 1.00 0.00 H new ATOM 0 HD2 PRO A 96 12.074 15.152 33.544 1.00 0.00 H new ATOM 0 HD3 PRO A 96 11.499 15.029 31.893 1.00 0.00 H new ATOM 1425 N SER A 97 15.420 11.499 33.598 1.00 0.00 N ATOM 1426 CA SER A 97 16.128 10.993 34.761 1.00 0.00 C ATOM 1427 C SER A 97 17.531 11.601 34.825 1.00 0.00 C ATOM 1428 O SER A 97 18.000 12.191 33.853 1.00 0.00 O ATOM 1429 CB SER A 97 16.213 9.466 34.733 1.00 0.00 C ATOM 1430 OG SER A 97 15.644 8.878 35.900 1.00 0.00 O ATOM 0 H SER A 97 15.763 11.148 32.704 1.00 0.00 H new ATOM 0 HA SER A 97 15.572 11.283 35.652 1.00 0.00 H new ATOM 0 HB2 SER A 97 15.697 9.090 33.849 1.00 0.00 H new ATOM 0 HB3 SER A 97 17.256 9.163 34.646 1.00 0.00 H new ATOM 0 HG SER A 97 15.716 7.902 35.843 1.00 0.00 H new ATOM 1436 N SER A 98 18.160 11.437 35.979 1.00 0.00 N ATOM 1437 CA SER A 98 19.499 11.962 36.183 1.00 0.00 C ATOM 1438 C SER A 98 20.403 11.560 35.015 1.00 0.00 C ATOM 1439 O SER A 98 20.019 10.739 34.183 1.00 0.00 O ATOM 1440 CB SER A 98 20.090 11.469 37.505 1.00 0.00 C ATOM 1441 OG SER A 98 20.172 10.047 37.555 1.00 0.00 O ATOM 0 H SER A 98 17.767 10.948 36.783 1.00 0.00 H new ATOM 0 HA SER A 98 19.436 13.049 36.228 1.00 0.00 H new ATOM 0 HB2 SER A 98 21.085 11.895 37.639 1.00 0.00 H new ATOM 0 HB3 SER A 98 19.477 11.826 38.332 1.00 0.00 H new ATOM 0 HG SER A 98 20.556 9.771 38.414 1.00 0.00 H new ATOM 1447 N GLY A 99 21.585 12.157 34.991 1.00 0.00 N ATOM 1448 CA GLY A 99 22.546 11.871 33.939 1.00 0.00 C ATOM 1449 C GLY A 99 22.576 10.376 33.615 1.00 0.00 C ATOM 1450 O GLY A 99 23.045 9.977 32.550 1.00 0.00 O ATOM 0 H GLY A 99 21.899 12.837 35.683 1.00 0.00 H new ATOM 0 HA2 GLY A 99 22.288 12.436 33.043 1.00 0.00 H new ATOM 0 HA3 GLY A 99 23.538 12.200 34.249 1.00 0.00 H new TER 1454 GLY A 99