USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 475 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 THR OG1 : rot -147:sc= 0.113 USER MOD Set 1.2: A 88 SER OG : rot -168:sc= 0.0701 USER MOD Set 2.1: A 31 CYS SG : rot 146:sc= -7.93! USER MOD Set 2.2: A 34 HIS : no HD1:sc= -27.7! C(o=-42!,f=-40!) USER MOD Set 2.3: A 86 CYS SG : rot -106:sc= -6.27! USER MOD Set 2.4: A 89 CYS SG : rot 180:sc= 0.261 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -106:sc= -1.67 USER MOD Single : A 38 TYR OH : rot -39:sc= 1.23 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0.0103 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -151:sc= -0.298 (180deg=-1.61!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 CYS SG : rot -69:sc= -1.2 USER MOD ----------------------------------------------------------------- ATOM 28 N ALA A 18 2.278 -1.186 -5.845 1.00 0.00 N ATOM 29 CA ALA A 18 3.413 -1.244 -6.750 1.00 0.00 C ATOM 30 C ALA A 18 4.317 -2.414 -6.353 1.00 0.00 C ATOM 31 O ALA A 18 4.672 -3.240 -7.192 1.00 0.00 O ATOM 32 CB ALA A 18 4.152 0.096 -6.729 1.00 0.00 C ATOM 0 HA ALA A 18 3.079 -1.417 -7.773 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.004 0.053 -7.408 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.475 0.890 -7.046 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.504 0.302 -5.718 1.00 0.00 H new ATOM 38 N VAL A 19 4.661 -2.447 -5.075 1.00 0.00 N ATOM 39 CA VAL A 19 5.516 -3.502 -4.557 1.00 0.00 C ATOM 40 C VAL A 19 4.916 -4.862 -4.918 1.00 0.00 C ATOM 41 O VAL A 19 5.584 -5.698 -5.524 1.00 0.00 O ATOM 42 CB VAL A 19 5.720 -3.319 -3.051 1.00 0.00 C ATOM 43 CG1 VAL A 19 4.406 -2.943 -2.362 1.00 0.00 C ATOM 44 CG2 VAL A 19 6.328 -4.574 -2.424 1.00 0.00 C ATOM 0 H VAL A 19 4.363 -1.760 -4.382 1.00 0.00 H new ATOM 0 HA VAL A 19 6.504 -3.451 -5.014 1.00 0.00 H new ATOM 0 HB VAL A 19 6.422 -2.498 -2.905 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.578 -2.819 -1.293 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.030 -2.009 -2.780 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.672 -3.733 -2.522 1.00 0.00 H new ATOM 0 HG21 VAL A 19 6.463 -4.417 -1.354 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.661 -5.421 -2.586 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.294 -4.779 -2.885 1.00 0.00 H new ATOM 54 N TYR A 20 3.662 -5.041 -4.530 1.00 0.00 N ATOM 55 CA TYR A 20 2.964 -6.286 -4.805 1.00 0.00 C ATOM 56 C TYR A 20 3.149 -6.707 -6.265 1.00 0.00 C ATOM 57 O TYR A 20 3.347 -7.886 -6.554 1.00 0.00 O ATOM 58 CB TYR A 20 1.482 -6.003 -4.553 1.00 0.00 C ATOM 59 CG TYR A 20 0.862 -6.869 -3.454 1.00 0.00 C ATOM 60 CD1 TYR A 20 1.626 -7.268 -2.376 1.00 0.00 C ATOM 61 CD2 TYR A 20 -0.461 -7.252 -3.542 1.00 0.00 C ATOM 62 CE1 TYR A 20 1.042 -8.084 -1.343 1.00 0.00 C ATOM 63 CE2 TYR A 20 -1.045 -8.067 -2.508 1.00 0.00 C ATOM 64 CZ TYR A 20 -0.264 -8.443 -1.460 1.00 0.00 C ATOM 65 OH TYR A 20 -0.815 -9.213 -0.484 1.00 0.00 O ATOM 0 H TYR A 20 3.111 -4.345 -4.027 1.00 0.00 H new ATOM 0 HA TYR A 20 3.349 -7.089 -4.177 1.00 0.00 H new ATOM 0 HB2 TYR A 20 1.363 -4.953 -4.285 1.00 0.00 H new ATOM 0 HB3 TYR A 20 0.930 -6.159 -5.480 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.661 -6.968 -2.307 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -1.058 -6.941 -4.386 1.00 0.00 H new ATOM 0 HE1 TYR A 20 1.628 -8.404 -0.494 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -2.079 -8.373 -2.564 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.754 -9.391 -0.699 1.00 0.00 H new ATOM 75 N ILE A 21 3.078 -5.719 -7.146 1.00 0.00 N ATOM 76 CA ILE A 21 3.235 -5.973 -8.568 1.00 0.00 C ATOM 77 C ILE A 21 4.671 -6.421 -8.846 1.00 0.00 C ATOM 78 O ILE A 21 4.904 -7.281 -9.695 1.00 0.00 O ATOM 79 CB ILE A 21 2.804 -4.750 -9.380 1.00 0.00 C ATOM 80 CG1 ILE A 21 1.306 -4.797 -9.688 1.00 0.00 C ATOM 81 CG2 ILE A 21 3.646 -4.611 -10.650 1.00 0.00 C ATOM 82 CD1 ILE A 21 0.959 -6.022 -10.536 1.00 0.00 C ATOM 0 H ILE A 21 2.914 -4.742 -6.902 1.00 0.00 H new ATOM 0 HA ILE A 21 2.581 -6.785 -8.885 1.00 0.00 H new ATOM 0 HB ILE A 21 2.981 -3.859 -8.777 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.740 -4.823 -8.757 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.011 -3.890 -10.215 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.319 -3.734 -11.209 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.696 -4.499 -10.380 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.523 -5.501 -11.267 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.112 -6.031 -10.741 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.508 -5.981 -11.477 1.00 0.00 H new ATOM 0 HD13 ILE A 21 1.233 -6.928 -9.996 1.00 0.00 H new ATOM 94 N ALA A 22 5.598 -5.818 -8.115 1.00 0.00 N ATOM 95 CA ALA A 22 7.005 -6.145 -8.273 1.00 0.00 C ATOM 96 C ALA A 22 7.231 -7.608 -7.887 1.00 0.00 C ATOM 97 O ALA A 22 8.070 -8.286 -8.477 1.00 0.00 O ATOM 98 CB ALA A 22 7.849 -5.184 -7.433 1.00 0.00 C ATOM 0 H ALA A 22 5.402 -5.105 -7.412 1.00 0.00 H new ATOM 0 HA ALA A 22 7.312 -6.027 -9.312 1.00 0.00 H new ATOM 0 HB1 ALA A 22 8.905 -5.429 -7.551 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.674 -4.161 -7.765 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.570 -5.277 -6.383 1.00 0.00 H new ATOM 104 N ILE A 23 6.467 -8.051 -6.899 1.00 0.00 N ATOM 105 CA ILE A 23 6.573 -9.421 -6.428 1.00 0.00 C ATOM 106 C ILE A 23 5.514 -10.279 -7.123 1.00 0.00 C ATOM 107 O ILE A 23 5.547 -11.505 -7.036 1.00 0.00 O ATOM 108 CB ILE A 23 6.498 -9.470 -4.901 1.00 0.00 C ATOM 109 CG1 ILE A 23 6.058 -10.853 -4.417 1.00 0.00 C ATOM 110 CG2 ILE A 23 5.595 -8.359 -4.360 1.00 0.00 C ATOM 111 CD1 ILE A 23 4.532 -10.951 -4.353 1.00 0.00 C ATOM 0 H ILE A 23 5.772 -7.485 -6.412 1.00 0.00 H new ATOM 0 HA ILE A 23 7.545 -9.839 -6.690 1.00 0.00 H new ATOM 0 HB ILE A 23 7.498 -9.294 -4.505 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.447 -11.618 -5.088 1.00 0.00 H new ATOM 0 HG13 ILE A 23 6.480 -11.049 -3.431 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.559 -8.417 -3.272 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.992 -7.389 -4.659 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.589 -8.479 -4.763 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.245 -11.944 -4.006 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.148 -10.200 -3.662 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.114 -10.779 -5.345 1.00 0.00 H new ATOM 123 N GLU A 24 4.598 -9.599 -7.798 1.00 0.00 N ATOM 124 CA GLU A 24 3.530 -10.284 -8.508 1.00 0.00 C ATOM 125 C GLU A 24 3.792 -10.255 -10.015 1.00 0.00 C ATOM 126 O GLU A 24 2.976 -10.738 -10.799 1.00 0.00 O ATOM 127 CB GLU A 24 2.169 -9.669 -8.175 1.00 0.00 C ATOM 128 CG GLU A 24 1.679 -10.132 -6.802 1.00 0.00 C ATOM 129 CD GLU A 24 0.230 -9.704 -6.564 1.00 0.00 C ATOM 130 OE1 GLU A 24 -0.091 -9.168 -5.493 1.00 0.00 O ATOM 131 OE2 GLU A 24 -0.577 -9.945 -7.541 1.00 0.00 O ATOM 0 H GLU A 24 4.573 -8.582 -7.868 1.00 0.00 H new ATOM 0 HA GLU A 24 3.511 -11.324 -8.183 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.244 -8.582 -8.191 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.443 -9.950 -8.938 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.758 -11.217 -6.731 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.318 -9.714 -6.024 1.00 0.00 H new ATOM 139 N ALA A 25 4.932 -9.684 -10.375 1.00 0.00 N ATOM 140 CA ALA A 25 5.311 -9.587 -11.774 1.00 0.00 C ATOM 141 C ALA A 25 5.646 -10.981 -12.306 1.00 0.00 C ATOM 142 O ALA A 25 5.928 -11.146 -13.492 1.00 0.00 O ATOM 143 CB ALA A 25 6.480 -8.611 -11.920 1.00 0.00 C ATOM 0 H ALA A 25 5.606 -9.284 -9.722 1.00 0.00 H new ATOM 0 HA ALA A 25 4.485 -9.198 -12.369 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.764 -8.538 -12.970 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.181 -7.628 -11.556 1.00 0.00 H new ATOM 0 HB3 ALA A 25 7.329 -8.970 -11.338 1.00 0.00 H new ATOM 149 N GLY A 26 5.604 -11.950 -11.403 1.00 0.00 N ATOM 150 CA GLY A 26 5.900 -13.325 -11.766 1.00 0.00 C ATOM 151 C GLY A 26 6.973 -13.916 -10.849 1.00 0.00 C ATOM 152 O GLY A 26 7.481 -15.007 -11.105 1.00 0.00 O ATOM 0 H GLY A 26 5.369 -11.810 -10.420 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.992 -13.925 -11.703 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.238 -13.367 -12.801 1.00 0.00 H new ATOM 156 N THR A 27 7.286 -13.170 -9.800 1.00 0.00 N ATOM 157 CA THR A 27 8.290 -13.606 -8.844 1.00 0.00 C ATOM 158 C THR A 27 7.913 -14.969 -8.261 1.00 0.00 C ATOM 159 O THR A 27 8.787 -15.767 -7.924 1.00 0.00 O ATOM 160 CB THR A 27 8.440 -12.512 -7.785 1.00 0.00 C ATOM 161 OG1 THR A 27 9.627 -11.821 -8.165 1.00 0.00 O ATOM 162 CG2 THR A 27 8.765 -13.078 -6.401 1.00 0.00 C ATOM 0 H THR A 27 6.862 -12.266 -9.591 1.00 0.00 H new ATOM 0 HA THR A 27 9.258 -13.749 -9.323 1.00 0.00 H new ATOM 0 HB THR A 27 7.520 -11.929 -7.732 1.00 0.00 H new ATOM 0 HG1 THR A 27 10.353 -12.056 -7.550 1.00 0.00 H new ATOM 0 HG21 THR A 27 8.861 -12.260 -5.687 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.964 -13.745 -6.083 1.00 0.00 H new ATOM 0 HG23 THR A 27 9.702 -13.633 -6.446 1.00 0.00 H new ATOM 170 N LEU A 28 6.612 -15.195 -8.160 1.00 0.00 N ATOM 171 CA LEU A 28 6.109 -16.448 -7.623 1.00 0.00 C ATOM 172 C LEU A 28 4.909 -16.909 -8.454 1.00 0.00 C ATOM 173 O LEU A 28 4.434 -16.179 -9.322 1.00 0.00 O ATOM 174 CB LEU A 28 5.806 -16.309 -6.130 1.00 0.00 C ATOM 175 CG LEU A 28 4.930 -15.119 -5.732 1.00 0.00 C ATOM 176 CD1 LEU A 28 4.105 -15.438 -4.484 1.00 0.00 C ATOM 177 CD2 LEU A 28 5.772 -13.854 -5.554 1.00 0.00 C ATOM 0 H LEU A 28 5.890 -14.531 -8.441 1.00 0.00 H new ATOM 0 HA LEU A 28 6.868 -17.226 -7.699 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.318 -17.223 -5.792 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.752 -16.235 -5.593 1.00 0.00 H new ATOM 0 HG LEU A 28 4.227 -14.927 -6.542 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.492 -14.576 -4.223 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.461 -16.295 -4.683 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.774 -15.672 -3.656 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.125 -13.023 -5.271 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.514 -14.018 -4.773 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.277 -13.618 -6.491 1.00 0.00 H new ATOM 189 N ALA A 29 4.454 -18.118 -8.157 1.00 0.00 N ATOM 190 CA ALA A 29 3.320 -18.685 -8.866 1.00 0.00 C ATOM 191 C ALA A 29 2.284 -19.175 -7.852 1.00 0.00 C ATOM 192 O ALA A 29 2.622 -19.465 -6.705 1.00 0.00 O ATOM 193 CB ALA A 29 3.802 -19.802 -9.793 1.00 0.00 C ATOM 0 H ALA A 29 4.850 -18.720 -7.435 1.00 0.00 H new ATOM 0 HA ALA A 29 2.841 -17.930 -9.489 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.950 -20.227 -10.324 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.513 -19.396 -10.513 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.287 -20.580 -9.204 1.00 0.00 H new ATOM 199 N GLU A 30 1.043 -19.251 -8.311 1.00 0.00 N ATOM 200 CA GLU A 30 -0.044 -19.701 -7.458 1.00 0.00 C ATOM 201 C GLU A 30 -1.091 -20.451 -8.285 1.00 0.00 C ATOM 202 O GLU A 30 -1.368 -20.081 -9.425 1.00 0.00 O ATOM 203 CB GLU A 30 -0.675 -18.526 -6.709 1.00 0.00 C ATOM 204 CG GLU A 30 -1.317 -17.536 -7.683 1.00 0.00 C ATOM 205 CD GLU A 30 -2.788 -17.298 -7.334 1.00 0.00 C ATOM 206 OE1 GLU A 30 -3.296 -16.182 -7.516 1.00 0.00 O ATOM 207 OE2 GLU A 30 -3.407 -18.325 -6.857 1.00 0.00 O ATOM 0 H GLU A 30 0.766 -19.009 -9.262 1.00 0.00 H new ATOM 0 HA GLU A 30 0.362 -20.386 -6.714 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.427 -18.896 -6.012 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.085 -18.017 -6.116 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.776 -16.590 -7.655 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.238 -17.919 -8.701 1.00 0.00 H new ATOM 215 N CYS A 31 -1.644 -21.490 -7.677 1.00 0.00 N ATOM 216 CA CYS A 31 -2.655 -22.295 -8.342 1.00 0.00 C ATOM 217 C CYS A 31 -3.809 -21.376 -8.749 1.00 0.00 C ATOM 218 O CYS A 31 -4.361 -20.660 -7.915 1.00 0.00 O ATOM 219 CB CYS A 31 -3.129 -23.450 -7.459 1.00 0.00 C ATOM 220 SG CYS A 31 -3.164 -25.004 -8.426 1.00 0.00 S ATOM 0 H CYS A 31 -1.411 -21.793 -6.731 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.228 -22.757 -9.232 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.464 -23.560 -6.602 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.122 -23.234 -7.066 1.00 0.00 H new ATOM 0 HG CYS A 31 -2.852 -26.003 -7.654 1.00 0.00 H new ATOM 225 N GLU A 32 -4.140 -21.427 -10.031 1.00 0.00 N ATOM 226 CA GLU A 32 -5.219 -20.609 -10.558 1.00 0.00 C ATOM 227 C GLU A 32 -6.571 -21.269 -10.280 1.00 0.00 C ATOM 228 O GLU A 32 -7.617 -20.703 -10.592 1.00 0.00 O ATOM 229 CB GLU A 32 -5.031 -20.354 -12.055 1.00 0.00 C ATOM 230 CG GLU A 32 -3.996 -19.254 -12.299 1.00 0.00 C ATOM 231 CD GLU A 32 -2.589 -19.844 -12.420 1.00 0.00 C ATOM 232 OE1 GLU A 32 -1.630 -19.276 -11.875 1.00 0.00 O ATOM 233 OE2 GLU A 32 -2.511 -20.932 -13.108 1.00 0.00 O ATOM 0 H GLU A 32 -3.680 -22.022 -10.720 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.198 -19.644 -10.052 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.713 -21.273 -12.547 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.983 -20.067 -12.501 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.246 -18.710 -13.210 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.024 -18.535 -11.480 1.00 0.00 H new ATOM 241 N VAL A 33 -6.505 -22.456 -9.695 1.00 0.00 N ATOM 242 CA VAL A 33 -7.711 -23.198 -9.370 1.00 0.00 C ATOM 243 C VAL A 33 -7.920 -23.185 -7.855 1.00 0.00 C ATOM 244 O VAL A 33 -8.964 -23.614 -7.365 1.00 0.00 O ATOM 245 CB VAL A 33 -7.627 -24.612 -9.950 1.00 0.00 C ATOM 246 CG1 VAL A 33 -6.194 -24.948 -10.370 1.00 0.00 C ATOM 247 CG2 VAL A 33 -8.164 -25.644 -8.957 1.00 0.00 C ATOM 0 H VAL A 33 -5.635 -22.922 -9.438 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.583 -22.726 -9.822 1.00 0.00 H new ATOM 0 HB VAL A 33 -8.254 -24.647 -10.841 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.162 -25.958 -10.779 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.861 -24.239 -11.128 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.537 -24.887 -9.503 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.093 -26.640 -9.394 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.576 -25.607 -8.040 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -9.206 -25.421 -8.729 1.00 0.00 H new ATOM 257 N HIS A 34 -6.912 -22.688 -7.154 1.00 0.00 N ATOM 258 CA HIS A 34 -6.973 -22.613 -5.705 1.00 0.00 C ATOM 259 C HIS A 34 -6.613 -21.197 -5.248 1.00 0.00 C ATOM 260 O HIS A 34 -5.436 -20.861 -5.126 1.00 0.00 O ATOM 261 CB HIS A 34 -6.086 -23.684 -5.067 1.00 0.00 C ATOM 262 CG HIS A 34 -5.972 -24.951 -5.882 1.00 0.00 C ATOM 263 ND1 HIS A 34 -5.686 -24.948 -7.236 1.00 0.00 N ATOM 264 CD2 HIS A 34 -6.108 -26.259 -5.519 1.00 0.00 C ATOM 265 CE1 HIS A 34 -5.654 -26.204 -7.659 1.00 0.00 C ATOM 266 NE2 HIS A 34 -5.917 -27.014 -6.594 1.00 0.00 N ATOM 0 H HIS A 34 -6.048 -22.333 -7.563 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.990 -22.819 -5.370 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -5.089 -23.272 -4.914 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.483 -23.932 -4.083 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -6.333 -26.619 -4.526 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -5.455 -26.529 -8.670 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -5.960 -28.033 -6.619 1.00 0.00 H new ATOM 274 N GLU A 35 -7.648 -20.406 -5.009 1.00 0.00 N ATOM 275 CA GLU A 35 -7.456 -19.035 -4.569 1.00 0.00 C ATOM 276 C GLU A 35 -6.994 -19.005 -3.110 1.00 0.00 C ATOM 277 O GLU A 35 -7.636 -19.592 -2.240 1.00 0.00 O ATOM 278 CB GLU A 35 -8.734 -18.215 -4.756 1.00 0.00 C ATOM 279 CG GLU A 35 -9.180 -18.222 -6.220 1.00 0.00 C ATOM 280 CD GLU A 35 -8.080 -17.672 -7.131 1.00 0.00 C ATOM 281 OE1 GLU A 35 -7.783 -16.469 -7.088 1.00 0.00 O ATOM 282 OE2 GLU A 35 -7.526 -18.544 -7.903 1.00 0.00 O ATOM 0 H GLU A 35 -8.623 -20.688 -5.112 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.679 -18.582 -5.185 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.527 -18.622 -4.129 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.564 -17.189 -4.429 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.433 -19.238 -6.522 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -10.083 -17.622 -6.332 1.00 0.00 H new ATOM 290 N GLY A 36 -5.885 -18.316 -2.888 1.00 0.00 N ATOM 291 CA GLY A 36 -5.330 -18.202 -1.550 1.00 0.00 C ATOM 292 C GLY A 36 -4.057 -19.039 -1.411 1.00 0.00 C ATOM 293 O GLY A 36 -3.231 -18.779 -0.537 1.00 0.00 O ATOM 0 H GLY A 36 -5.355 -17.831 -3.612 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -5.108 -17.157 -1.332 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.067 -18.531 -0.817 1.00 0.00 H new ATOM 297 N THR A 37 -3.939 -20.027 -2.286 1.00 0.00 N ATOM 298 CA THR A 37 -2.780 -20.904 -2.272 1.00 0.00 C ATOM 299 C THR A 37 -1.716 -20.398 -3.247 1.00 0.00 C ATOM 300 O THR A 37 -1.964 -20.307 -4.449 1.00 0.00 O ATOM 301 CB THR A 37 -3.259 -22.325 -2.578 1.00 0.00 C ATOM 302 OG1 THR A 37 -4.674 -22.254 -2.427 1.00 0.00 O ATOM 303 CG2 THR A 37 -2.820 -23.333 -1.514 1.00 0.00 C ATOM 0 H THR A 37 -4.626 -20.240 -3.009 1.00 0.00 H new ATOM 0 HA THR A 37 -2.301 -20.911 -1.293 1.00 0.00 H new ATOM 0 HB THR A 37 -2.877 -22.635 -3.551 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.010 -23.111 -2.090 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.186 -24.325 -1.779 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.732 -23.351 -1.457 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.229 -23.042 -0.547 1.00 0.00 H new ATOM 311 N TYR A 38 -0.555 -20.081 -2.694 1.00 0.00 N ATOM 312 CA TYR A 38 0.548 -19.586 -3.501 1.00 0.00 C ATOM 313 C TYR A 38 1.827 -20.379 -3.226 1.00 0.00 C ATOM 314 O TYR A 38 1.841 -21.267 -2.375 1.00 0.00 O ATOM 315 CB TYR A 38 0.762 -18.132 -3.076 1.00 0.00 C ATOM 316 CG TYR A 38 -0.004 -17.116 -3.926 1.00 0.00 C ATOM 317 CD1 TYR A 38 -1.370 -17.236 -4.081 1.00 0.00 C ATOM 318 CD2 TYR A 38 0.672 -16.081 -4.539 1.00 0.00 C ATOM 319 CE1 TYR A 38 -2.091 -16.280 -4.881 1.00 0.00 C ATOM 320 CE2 TYR A 38 -0.049 -15.125 -5.339 1.00 0.00 C ATOM 321 CZ TYR A 38 -1.394 -15.271 -5.471 1.00 0.00 C ATOM 322 OH TYR A 38 -2.075 -14.368 -6.227 1.00 0.00 O ATOM 0 H TYR A 38 -0.354 -20.157 -1.697 1.00 0.00 H new ATOM 0 HA TYR A 38 0.320 -19.682 -4.563 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.460 -18.020 -2.035 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.826 -17.903 -3.125 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.898 -18.047 -3.602 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.741 -15.988 -4.419 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.160 -16.362 -5.010 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.468 -14.310 -5.824 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.769 -14.830 -6.742 1.00 0.00 H new ATOM 332 N PHE A 39 2.872 -20.028 -3.961 1.00 0.00 N ATOM 333 CA PHE A 39 4.153 -20.696 -3.807 1.00 0.00 C ATOM 334 C PHE A 39 5.246 -19.975 -4.599 1.00 0.00 C ATOM 335 O PHE A 39 5.176 -19.889 -5.824 1.00 0.00 O ATOM 336 CB PHE A 39 3.989 -22.113 -4.361 1.00 0.00 C ATOM 337 CG PHE A 39 3.987 -22.187 -5.890 1.00 0.00 C ATOM 338 CD1 PHE A 39 2.819 -22.068 -6.575 1.00 0.00 C ATOM 339 CD2 PHE A 39 5.155 -22.372 -6.563 1.00 0.00 C ATOM 340 CE1 PHE A 39 2.817 -22.137 -7.993 1.00 0.00 C ATOM 341 CE2 PHE A 39 5.153 -22.441 -7.981 1.00 0.00 C ATOM 342 CZ PHE A 39 3.984 -22.322 -8.666 1.00 0.00 C ATOM 0 H PHE A 39 2.858 -19.290 -4.665 1.00 0.00 H new ATOM 0 HA PHE A 39 4.446 -20.701 -2.757 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.796 -22.737 -3.978 1.00 0.00 H new ATOM 0 HB3 PHE A 39 3.056 -22.533 -3.986 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.892 -21.921 -6.040 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.083 -22.466 -6.019 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.889 -22.043 -8.537 1.00 0.00 H new ATOM 0 HE2 PHE A 39 6.080 -22.588 -8.516 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.983 -22.374 -9.745 1.00 0.00 H new ATOM 352 N SER A 40 6.230 -19.475 -3.867 1.00 0.00 N ATOM 353 CA SER A 40 7.336 -18.764 -4.486 1.00 0.00 C ATOM 354 C SER A 40 8.371 -19.761 -5.012 1.00 0.00 C ATOM 355 O SER A 40 8.508 -20.859 -4.476 1.00 0.00 O ATOM 356 CB SER A 40 7.989 -17.794 -3.499 1.00 0.00 C ATOM 357 OG SER A 40 9.055 -17.061 -4.096 1.00 0.00 O ATOM 0 H SER A 40 6.285 -19.548 -2.851 1.00 0.00 H new ATOM 0 HA SER A 40 6.944 -18.183 -5.320 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.238 -17.100 -3.123 1.00 0.00 H new ATOM 0 HB3 SER A 40 8.367 -18.350 -2.641 1.00 0.00 H new ATOM 0 HG SER A 40 9.444 -16.452 -3.434 1.00 0.00 H new ATOM 363 N ASP A 41 9.072 -19.342 -6.056 1.00 0.00 N ATOM 364 CA ASP A 41 10.089 -20.185 -6.660 1.00 0.00 C ATOM 365 C ASP A 41 10.885 -20.887 -5.558 1.00 0.00 C ATOM 366 O ASP A 41 11.822 -20.315 -5.004 1.00 0.00 O ATOM 367 CB ASP A 41 11.067 -19.356 -7.494 1.00 0.00 C ATOM 368 CG ASP A 41 11.627 -18.117 -6.792 1.00 0.00 C ATOM 369 OD1 ASP A 41 11.522 -17.977 -5.564 1.00 0.00 O ATOM 370 OD2 ASP A 41 12.200 -17.261 -7.569 1.00 0.00 O ATOM 0 H ASP A 41 8.955 -18.430 -6.498 1.00 0.00 H new ATOM 0 HA ASP A 41 9.588 -20.908 -7.304 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.899 -19.994 -7.791 1.00 0.00 H new ATOM 0 HB3 ASP A 41 10.565 -19.041 -8.409 1.00 0.00 H new ATOM 376 N SER A 42 10.482 -22.117 -5.273 1.00 0.00 N ATOM 377 CA SER A 42 11.146 -22.902 -4.246 1.00 0.00 C ATOM 378 C SER A 42 12.528 -23.340 -4.735 1.00 0.00 C ATOM 379 O SER A 42 12.673 -23.807 -5.863 1.00 0.00 O ATOM 380 CB SER A 42 10.309 -24.123 -3.860 1.00 0.00 C ATOM 381 OG SER A 42 10.930 -24.893 -2.834 1.00 0.00 O ATOM 0 H SER A 42 9.705 -22.589 -5.735 1.00 0.00 H new ATOM 0 HA SER A 42 11.261 -22.279 -3.359 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.325 -23.796 -3.523 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.153 -24.749 -4.739 1.00 0.00 H new ATOM 0 HG SER A 42 10.364 -25.662 -2.614 1.00 0.00 H new ATOM 387 N GLY A 43 13.510 -23.173 -3.860 1.00 0.00 N ATOM 388 CA GLY A 43 14.876 -23.545 -4.188 1.00 0.00 C ATOM 389 C GLY A 43 15.751 -22.304 -4.379 1.00 0.00 C ATOM 390 O GLY A 43 16.955 -22.347 -4.133 1.00 0.00 O ATOM 0 H GLY A 43 13.386 -22.785 -2.925 1.00 0.00 H new ATOM 0 HA2 GLY A 43 15.288 -24.166 -3.393 1.00 0.00 H new ATOM 0 HA3 GLY A 43 14.885 -24.144 -5.098 1.00 0.00 H new ATOM 394 N ASP A 44 15.111 -21.229 -4.814 1.00 0.00 N ATOM 395 CA ASP A 44 15.816 -19.979 -5.040 1.00 0.00 C ATOM 396 C ASP A 44 14.888 -18.808 -4.709 1.00 0.00 C ATOM 397 O ASP A 44 14.258 -18.240 -5.600 1.00 0.00 O ATOM 398 CB ASP A 44 16.244 -19.844 -6.502 1.00 0.00 C ATOM 399 CG ASP A 44 15.158 -20.175 -7.527 1.00 0.00 C ATOM 400 OD1 ASP A 44 14.004 -20.453 -7.168 1.00 0.00 O ATOM 401 OD2 ASP A 44 15.541 -20.140 -8.759 1.00 0.00 O ATOM 0 H ASP A 44 14.112 -21.198 -5.016 1.00 0.00 H new ATOM 0 HA ASP A 44 16.701 -19.971 -4.403 1.00 0.00 H new ATOM 0 HB2 ASP A 44 16.584 -18.823 -6.672 1.00 0.00 H new ATOM 0 HB3 ASP A 44 17.099 -20.498 -6.677 1.00 0.00 H new ATOM 407 N ILE A 45 14.834 -18.481 -3.426 1.00 0.00 N ATOM 408 CA ILE A 45 13.994 -17.388 -2.967 1.00 0.00 C ATOM 409 C ILE A 45 14.606 -16.059 -3.412 1.00 0.00 C ATOM 410 O ILE A 45 13.886 -15.097 -3.675 1.00 0.00 O ATOM 411 CB ILE A 45 13.766 -17.486 -1.457 1.00 0.00 C ATOM 412 CG1 ILE A 45 12.637 -18.466 -1.135 1.00 0.00 C ATOM 413 CG2 ILE A 45 13.515 -16.104 -0.850 1.00 0.00 C ATOM 414 CD1 ILE A 45 11.273 -17.777 -1.210 1.00 0.00 C ATOM 0 H ILE A 45 15.358 -18.954 -2.690 1.00 0.00 H new ATOM 0 HA ILE A 45 13.005 -17.451 -3.420 1.00 0.00 H new ATOM 0 HB ILE A 45 14.674 -17.879 -1.000 1.00 0.00 H new ATOM 0 HG12 ILE A 45 12.665 -19.301 -1.835 1.00 0.00 H new ATOM 0 HG13 ILE A 45 12.784 -18.881 -0.138 1.00 0.00 H new ATOM 0 HG21 ILE A 45 13.356 -16.202 0.224 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.379 -15.464 -1.032 1.00 0.00 H new ATOM 0 HG23 ILE A 45 12.631 -15.660 -1.309 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.488 -18.497 -0.977 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.239 -16.958 -0.492 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.118 -17.385 -2.215 1.00 0.00 H new ATOM 426 N SER A 46 15.929 -16.047 -3.482 1.00 0.00 N ATOM 427 CA SER A 46 16.646 -14.851 -3.891 1.00 0.00 C ATOM 428 C SER A 46 16.468 -14.621 -5.393 1.00 0.00 C ATOM 429 O SER A 46 16.541 -13.487 -5.864 1.00 0.00 O ATOM 430 CB SER A 46 18.133 -14.954 -3.543 1.00 0.00 C ATOM 431 OG SER A 46 18.678 -16.221 -3.900 1.00 0.00 O ATOM 0 H SER A 46 16.523 -16.846 -3.262 1.00 0.00 H new ATOM 0 HA SER A 46 16.231 -14.002 -3.348 1.00 0.00 H new ATOM 0 HB2 SER A 46 18.681 -14.165 -4.058 1.00 0.00 H new ATOM 0 HB3 SER A 46 18.267 -14.790 -2.474 1.00 0.00 H new ATOM 0 HG SER A 46 19.629 -16.247 -3.664 1.00 0.00 H new ATOM 437 N GLU A 47 16.236 -15.715 -6.103 1.00 0.00 N ATOM 438 CA GLU A 47 16.046 -15.647 -7.542 1.00 0.00 C ATOM 439 C GLU A 47 14.865 -14.734 -7.879 1.00 0.00 C ATOM 440 O GLU A 47 14.874 -14.055 -8.904 1.00 0.00 O ATOM 441 CB GLU A 47 15.847 -17.043 -8.136 1.00 0.00 C ATOM 442 CG GLU A 47 15.203 -16.963 -9.521 1.00 0.00 C ATOM 443 CD GLU A 47 16.081 -16.167 -10.489 1.00 0.00 C ATOM 444 OE1 GLU A 47 15.602 -15.210 -11.115 1.00 0.00 O ATOM 445 OE2 GLU A 47 17.302 -16.573 -10.577 1.00 0.00 O ATOM 0 H GLU A 47 16.175 -16.654 -5.709 1.00 0.00 H new ATOM 0 HA GLU A 47 16.946 -15.224 -7.988 1.00 0.00 H new ATOM 0 HB2 GLU A 47 16.808 -17.552 -8.207 1.00 0.00 H new ATOM 0 HB3 GLU A 47 15.219 -17.638 -7.473 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.045 -17.968 -9.911 1.00 0.00 H new ATOM 0 HG3 GLU A 47 14.223 -16.493 -9.443 1.00 0.00 H new ATOM 453 N ALA A 48 13.877 -14.748 -6.996 1.00 0.00 N ATOM 454 CA ALA A 48 12.691 -13.930 -7.187 1.00 0.00 C ATOM 455 C ALA A 48 13.057 -12.457 -6.995 1.00 0.00 C ATOM 456 O ALA A 48 12.522 -11.586 -7.679 1.00 0.00 O ATOM 457 CB ALA A 48 11.594 -14.389 -6.225 1.00 0.00 C ATOM 0 H ALA A 48 13.873 -15.313 -6.147 1.00 0.00 H new ATOM 0 HA ALA A 48 12.304 -14.044 -8.200 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.704 -13.776 -6.368 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.350 -15.433 -6.422 1.00 0.00 H new ATOM 0 HB3 ALA A 48 11.944 -14.286 -5.198 1.00 0.00 H new ATOM 463 N GLU A 49 13.966 -12.223 -6.059 1.00 0.00 N ATOM 464 CA GLU A 49 14.409 -10.871 -5.768 1.00 0.00 C ATOM 465 C GLU A 49 15.123 -10.273 -6.982 1.00 0.00 C ATOM 466 O GLU A 49 14.880 -9.123 -7.346 1.00 0.00 O ATOM 467 CB GLU A 49 15.312 -10.844 -4.533 1.00 0.00 C ATOM 468 CG GLU A 49 16.768 -10.586 -4.924 1.00 0.00 C ATOM 469 CD GLU A 49 17.670 -10.549 -3.688 1.00 0.00 C ATOM 470 OE1 GLU A 49 17.224 -10.134 -2.608 1.00 0.00 O ATOM 471 OE2 GLU A 49 18.873 -10.972 -3.878 1.00 0.00 O ATOM 0 H GLU A 49 14.407 -12.948 -5.493 1.00 0.00 H new ATOM 0 HA GLU A 49 13.532 -10.261 -5.550 1.00 0.00 H new ATOM 0 HB2 GLU A 49 14.973 -10.068 -3.847 1.00 0.00 H new ATOM 0 HB3 GLU A 49 15.237 -11.793 -4.002 1.00 0.00 H new ATOM 0 HG2 GLU A 49 17.109 -11.366 -5.604 1.00 0.00 H new ATOM 0 HG3 GLU A 49 16.842 -9.640 -5.461 1.00 0.00 H new ATOM 479 N GLU A 50 15.989 -11.081 -7.576 1.00 0.00 N ATOM 480 CA GLU A 50 16.740 -10.646 -8.742 1.00 0.00 C ATOM 481 C GLU A 50 15.821 -10.558 -9.962 1.00 0.00 C ATOM 482 O GLU A 50 15.879 -9.589 -10.718 1.00 0.00 O ATOM 483 CB GLU A 50 17.922 -11.579 -9.012 1.00 0.00 C ATOM 484 CG GLU A 50 17.575 -12.607 -10.090 1.00 0.00 C ATOM 485 CD GLU A 50 18.743 -13.566 -10.331 1.00 0.00 C ATOM 486 OE1 GLU A 50 19.085 -14.360 -9.443 1.00 0.00 O ATOM 487 OE2 GLU A 50 19.300 -13.466 -11.490 1.00 0.00 O ATOM 0 H GLU A 50 16.187 -12.034 -7.272 1.00 0.00 H new ATOM 0 HA GLU A 50 17.142 -9.653 -8.542 1.00 0.00 H new ATOM 0 HB2 GLU A 50 18.786 -10.995 -9.327 1.00 0.00 H new ATOM 0 HB3 GLU A 50 18.202 -12.092 -8.092 1.00 0.00 H new ATOM 0 HG2 GLU A 50 16.693 -13.172 -9.788 1.00 0.00 H new ATOM 0 HG3 GLU A 50 17.323 -12.094 -11.018 1.00 0.00 H new ATOM 495 N LEU A 51 14.996 -11.583 -10.117 1.00 0.00 N ATOM 496 CA LEU A 51 14.066 -11.633 -11.233 1.00 0.00 C ATOM 497 C LEU A 51 13.155 -10.405 -11.188 1.00 0.00 C ATOM 498 O LEU A 51 12.875 -9.797 -12.220 1.00 0.00 O ATOM 499 CB LEU A 51 13.308 -12.962 -11.238 1.00 0.00 C ATOM 500 CG LEU A 51 11.876 -12.914 -11.777 1.00 0.00 C ATOM 501 CD1 LEU A 51 10.892 -12.501 -10.681 1.00 0.00 C ATOM 502 CD2 LEU A 51 11.782 -12.006 -13.004 1.00 0.00 C ATOM 0 H LEU A 51 14.952 -12.385 -9.489 1.00 0.00 H new ATOM 0 HA LEU A 51 14.604 -11.595 -12.180 1.00 0.00 H new ATOM 0 HB2 LEU A 51 13.875 -13.679 -11.832 1.00 0.00 H new ATOM 0 HB3 LEU A 51 13.279 -13.345 -10.218 1.00 0.00 H new ATOM 0 HG LEU A 51 11.598 -13.918 -12.098 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.882 -12.475 -11.090 1.00 0.00 H new ATOM 0 HD12 LEU A 51 10.934 -13.221 -9.864 1.00 0.00 H new ATOM 0 HD13 LEU A 51 11.158 -11.512 -10.307 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.754 -11.990 -13.367 1.00 0.00 H new ATOM 0 HD22 LEU A 51 12.087 -10.995 -12.733 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.438 -12.385 -13.788 1.00 0.00 H new ATOM 514 N ALA A 52 12.718 -10.076 -9.981 1.00 0.00 N ATOM 515 CA ALA A 52 11.845 -8.931 -9.788 1.00 0.00 C ATOM 516 C ALA A 52 12.636 -7.644 -10.033 1.00 0.00 C ATOM 517 O ALA A 52 12.136 -6.715 -10.666 1.00 0.00 O ATOM 518 CB ALA A 52 11.236 -8.983 -8.385 1.00 0.00 C ATOM 0 H ALA A 52 12.952 -10.582 -9.127 1.00 0.00 H new ATOM 0 HA ALA A 52 11.021 -8.953 -10.502 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.581 -8.124 -8.241 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.660 -9.901 -8.272 1.00 0.00 H new ATOM 0 HB3 ALA A 52 12.033 -8.961 -7.641 1.00 0.00 H new ATOM 524 N ARG A 53 13.857 -7.631 -9.520 1.00 0.00 N ATOM 525 CA ARG A 53 14.722 -6.474 -9.675 1.00 0.00 C ATOM 526 C ARG A 53 14.830 -6.087 -11.151 1.00 0.00 C ATOM 527 O ARG A 53 14.853 -4.903 -11.486 1.00 0.00 O ATOM 528 CB ARG A 53 16.121 -6.755 -9.124 1.00 0.00 C ATOM 529 CG ARG A 53 17.155 -6.800 -10.251 1.00 0.00 C ATOM 530 CD ARG A 53 17.423 -5.399 -10.806 1.00 0.00 C ATOM 531 NE ARG A 53 18.874 -5.109 -10.768 1.00 0.00 N ATOM 532 CZ ARG A 53 19.393 -3.874 -10.774 1.00 0.00 C ATOM 533 NH1 ARG A 53 18.583 -2.807 -10.815 1.00 0.00 N ATOM 534 NH2 ARG A 53 20.722 -3.705 -10.738 1.00 0.00 N ATOM 0 H ARG A 53 14.268 -8.404 -8.996 1.00 0.00 H new ATOM 0 HA ARG A 53 14.281 -5.652 -9.112 1.00 0.00 H new ATOM 0 HB2 ARG A 53 16.395 -5.983 -8.405 1.00 0.00 H new ATOM 0 HB3 ARG A 53 16.121 -7.704 -8.588 1.00 0.00 H new ATOM 0 HG2 ARG A 53 18.084 -7.232 -9.880 1.00 0.00 H new ATOM 0 HG3 ARG A 53 16.799 -7.450 -11.050 1.00 0.00 H new ATOM 0 HD2 ARG A 53 17.056 -5.328 -11.830 1.00 0.00 H new ATOM 0 HD3 ARG A 53 16.880 -4.657 -10.221 1.00 0.00 H new ATOM 0 HE ARG A 53 19.519 -5.899 -10.735 1.00 0.00 H new ATOM 0 HH11 ARG A 53 17.571 -2.935 -10.842 1.00 0.00 H new ATOM 0 HH12 ARG A 53 18.978 -1.867 -10.820 1.00 0.00 H new ATOM 0 HH21 ARG A 53 21.339 -4.517 -10.706 1.00 0.00 H new ATOM 0 HH22 ARG A 53 21.117 -2.765 -10.743 1.00 0.00 H new ATOM 548 N GLU A 54 14.894 -7.106 -11.994 1.00 0.00 N ATOM 549 CA GLU A 54 14.999 -6.887 -13.427 1.00 0.00 C ATOM 550 C GLU A 54 13.629 -6.544 -14.014 1.00 0.00 C ATOM 551 O GLU A 54 13.524 -5.699 -14.901 1.00 0.00 O ATOM 552 CB GLU A 54 15.605 -8.107 -14.125 1.00 0.00 C ATOM 553 CG GLU A 54 17.098 -8.231 -13.815 1.00 0.00 C ATOM 554 CD GLU A 54 17.743 -9.333 -14.657 1.00 0.00 C ATOM 555 OE1 GLU A 54 18.478 -9.035 -15.611 1.00 0.00 O ATOM 556 OE2 GLU A 54 17.459 -10.537 -14.290 1.00 0.00 O ATOM 0 H GLU A 54 14.875 -8.086 -11.713 1.00 0.00 H new ATOM 0 HA GLU A 54 15.667 -6.043 -13.598 1.00 0.00 H new ATOM 0 HB2 GLU A 54 15.087 -9.010 -13.802 1.00 0.00 H new ATOM 0 HB3 GLU A 54 15.459 -8.024 -15.202 1.00 0.00 H new ATOM 0 HG2 GLU A 54 17.594 -7.281 -14.012 1.00 0.00 H new ATOM 0 HG3 GLU A 54 17.236 -8.449 -12.756 1.00 0.00 H new ATOM 564 N LYS A 55 12.613 -7.217 -13.494 1.00 0.00 N ATOM 565 CA LYS A 55 11.253 -6.994 -13.955 1.00 0.00 C ATOM 566 C LYS A 55 10.913 -5.508 -13.825 1.00 0.00 C ATOM 567 O LYS A 55 10.474 -4.881 -14.789 1.00 0.00 O ATOM 568 CB LYS A 55 10.279 -7.915 -13.218 1.00 0.00 C ATOM 569 CG LYS A 55 9.042 -8.202 -14.072 1.00 0.00 C ATOM 570 CD LYS A 55 9.433 -8.846 -15.403 1.00 0.00 C ATOM 571 CE LYS A 55 8.275 -9.664 -15.977 1.00 0.00 C ATOM 572 NZ LYS A 55 8.719 -10.434 -17.161 1.00 0.00 N ATOM 0 H LYS A 55 12.704 -7.917 -12.758 1.00 0.00 H new ATOM 0 HA LYS A 55 11.161 -7.252 -15.010 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.777 -8.851 -12.967 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.977 -7.453 -12.278 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.366 -8.862 -13.529 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.501 -7.274 -14.258 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.724 -8.073 -16.114 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.301 -9.489 -15.259 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.891 -10.344 -15.217 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.456 -9.000 -16.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.920 -10.983 -17.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.064 -9.779 -17.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.485 -11.081 -16.887 1.00 0.00 H new ATOM 586 N PHE A 56 11.127 -4.987 -12.626 1.00 0.00 N ATOM 587 CA PHE A 56 10.848 -3.587 -12.358 1.00 0.00 C ATOM 588 C PHE A 56 11.907 -2.685 -12.995 1.00 0.00 C ATOM 589 O PHE A 56 11.582 -1.638 -13.554 1.00 0.00 O ATOM 590 CB PHE A 56 10.888 -3.406 -10.839 1.00 0.00 C ATOM 591 CG PHE A 56 12.241 -2.929 -10.305 1.00 0.00 C ATOM 592 CD1 PHE A 56 12.714 -1.702 -10.650 1.00 0.00 C ATOM 593 CD2 PHE A 56 12.969 -3.733 -9.484 1.00 0.00 C ATOM 594 CE1 PHE A 56 13.969 -1.260 -10.154 1.00 0.00 C ATOM 595 CE2 PHE A 56 14.224 -3.291 -8.988 1.00 0.00 C ATOM 596 CZ PHE A 56 14.698 -2.064 -9.334 1.00 0.00 C ATOM 0 H PHE A 56 11.490 -5.510 -11.829 1.00 0.00 H new ATOM 0 HA PHE A 56 9.879 -3.314 -12.775 1.00 0.00 H new ATOM 0 HB2 PHE A 56 10.121 -2.688 -10.548 1.00 0.00 H new ATOM 0 HB3 PHE A 56 10.635 -4.354 -10.364 1.00 0.00 H new ATOM 0 HD1 PHE A 56 12.135 -1.064 -11.301 1.00 0.00 H new ATOM 0 HD2 PHE A 56 12.593 -4.707 -9.209 1.00 0.00 H new ATOM 0 HE1 PHE A 56 14.345 -0.285 -10.428 1.00 0.00 H new ATOM 0 HE2 PHE A 56 14.802 -3.929 -8.336 1.00 0.00 H new ATOM 0 HZ PHE A 56 15.653 -1.728 -8.958 1.00 0.00 H new ATOM 606 N GLU A 57 13.153 -3.123 -12.890 1.00 0.00 N ATOM 607 CA GLU A 57 14.262 -2.369 -13.449 1.00 0.00 C ATOM 608 C GLU A 57 14.117 -2.259 -14.968 1.00 0.00 C ATOM 609 O GLU A 57 14.670 -1.349 -15.584 1.00 0.00 O ATOM 610 CB GLU A 57 15.602 -3.002 -13.071 1.00 0.00 C ATOM 611 CG GLU A 57 16.763 -2.279 -13.756 1.00 0.00 C ATOM 612 CD GLU A 57 18.076 -3.041 -13.561 1.00 0.00 C ATOM 613 OE1 GLU A 57 18.067 -4.278 -13.470 1.00 0.00 O ATOM 614 OE2 GLU A 57 19.132 -2.303 -13.506 1.00 0.00 O ATOM 0 H GLU A 57 13.419 -3.991 -12.426 1.00 0.00 H new ATOM 0 HA GLU A 57 14.241 -1.364 -13.028 1.00 0.00 H new ATOM 0 HB2 GLU A 57 15.733 -2.965 -11.990 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.605 -4.054 -13.357 1.00 0.00 H new ATOM 0 HG2 GLU A 57 16.554 -2.175 -14.821 1.00 0.00 H new ATOM 0 HG3 GLU A 57 16.859 -1.272 -13.350 1.00 0.00 H new ATOM 622 N LYS A 58 13.370 -3.199 -15.529 1.00 0.00 N ATOM 623 CA LYS A 58 13.145 -3.219 -16.964 1.00 0.00 C ATOM 624 C LYS A 58 11.651 -3.046 -17.244 1.00 0.00 C ATOM 625 O LYS A 58 11.197 -3.264 -18.366 1.00 0.00 O ATOM 626 CB LYS A 58 13.744 -4.484 -17.582 1.00 0.00 C ATOM 627 CG LYS A 58 13.585 -4.479 -19.104 1.00 0.00 C ATOM 628 CD LYS A 58 13.860 -3.088 -19.679 1.00 0.00 C ATOM 629 CE LYS A 58 14.212 -3.170 -21.166 1.00 0.00 C ATOM 630 NZ LYS A 58 15.256 -4.193 -21.396 1.00 0.00 N ATOM 0 H LYS A 58 12.913 -3.952 -15.015 1.00 0.00 H new ATOM 0 HA LYS A 58 13.658 -2.384 -17.442 1.00 0.00 H new ATOM 0 HB2 LYS A 58 14.801 -4.554 -17.323 1.00 0.00 H new ATOM 0 HB3 LYS A 58 13.255 -5.364 -17.165 1.00 0.00 H new ATOM 0 HG2 LYS A 58 14.270 -5.202 -19.547 1.00 0.00 H new ATOM 0 HG3 LYS A 58 12.575 -4.793 -19.369 1.00 0.00 H new ATOM 0 HD2 LYS A 58 12.983 -2.455 -19.543 1.00 0.00 H new ATOM 0 HD3 LYS A 58 14.679 -2.620 -19.133 1.00 0.00 H new ATOM 0 HE2 LYS A 58 13.321 -3.415 -21.744 1.00 0.00 H new ATOM 0 HE3 LYS A 58 14.562 -2.199 -21.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 15.822 -3.930 -22.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 15.874 -4.252 -20.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 14.807 -5.117 -21.560 1.00 0.00 H new ATOM 754 N VAL A 67 16.555 -0.599 -6.069 1.00 0.00 N ATOM 755 CA VAL A 67 16.619 -1.996 -6.464 1.00 0.00 C ATOM 756 C VAL A 67 16.659 -2.875 -5.213 1.00 0.00 C ATOM 757 O VAL A 67 16.053 -3.945 -5.182 1.00 0.00 O ATOM 758 CB VAL A 67 17.815 -2.222 -7.392 1.00 0.00 C ATOM 759 CG1 VAL A 67 19.096 -1.646 -6.786 1.00 0.00 C ATOM 760 CG2 VAL A 67 17.982 -3.707 -7.719 1.00 0.00 C ATOM 0 HA VAL A 67 15.729 -2.275 -7.028 1.00 0.00 H new ATOM 0 HB VAL A 67 17.620 -1.694 -8.325 1.00 0.00 H new ATOM 0 HG11 VAL A 67 19.930 -1.820 -7.466 1.00 0.00 H new ATOM 0 HG12 VAL A 67 18.974 -0.574 -6.628 1.00 0.00 H new ATOM 0 HG13 VAL A 67 19.298 -2.132 -5.832 1.00 0.00 H new ATOM 0 HG21 VAL A 67 18.839 -3.840 -8.380 1.00 0.00 H new ATOM 0 HG22 VAL A 67 18.144 -4.266 -6.798 1.00 0.00 H new ATOM 0 HG23 VAL A 67 17.082 -4.074 -8.213 1.00 0.00 H new ATOM 770 N GLU A 68 17.379 -2.390 -4.211 1.00 0.00 N ATOM 771 CA GLU A 68 17.505 -3.118 -2.960 1.00 0.00 C ATOM 772 C GLU A 68 16.166 -3.141 -2.221 1.00 0.00 C ATOM 773 O GLU A 68 15.844 -4.115 -1.542 1.00 0.00 O ATOM 774 CB GLU A 68 18.605 -2.516 -2.084 1.00 0.00 C ATOM 775 CG GLU A 68 19.227 -3.578 -1.176 1.00 0.00 C ATOM 776 CD GLU A 68 18.372 -3.800 0.074 1.00 0.00 C ATOM 777 OE1 GLU A 68 18.092 -4.952 0.437 1.00 0.00 O ATOM 778 OE2 GLU A 68 17.995 -2.722 0.675 1.00 0.00 O ATOM 0 H GLU A 68 17.881 -1.502 -4.241 1.00 0.00 H new ATOM 0 HA GLU A 68 17.789 -4.145 -3.188 1.00 0.00 H new ATOM 0 HB2 GLU A 68 19.377 -2.075 -2.715 1.00 0.00 H new ATOM 0 HB3 GLU A 68 18.191 -1.711 -1.477 1.00 0.00 H new ATOM 0 HG2 GLU A 68 19.328 -4.515 -1.723 1.00 0.00 H new ATOM 0 HG3 GLU A 68 20.231 -3.269 -0.884 1.00 0.00 H new ATOM 786 N GLU A 69 15.422 -2.056 -2.377 1.00 0.00 N ATOM 787 CA GLU A 69 14.125 -1.938 -1.733 1.00 0.00 C ATOM 788 C GLU A 69 13.083 -2.772 -2.482 1.00 0.00 C ATOM 789 O GLU A 69 12.139 -3.280 -1.879 1.00 0.00 O ATOM 790 CB GLU A 69 13.691 -0.475 -1.637 1.00 0.00 C ATOM 791 CG GLU A 69 12.694 -0.272 -0.494 1.00 0.00 C ATOM 792 CD GLU A 69 13.413 -0.208 0.856 1.00 0.00 C ATOM 793 OE1 GLU A 69 12.759 -0.068 1.900 1.00 0.00 O ATOM 794 OE2 GLU A 69 14.697 -0.309 0.794 1.00 0.00 O ATOM 0 H GLU A 69 15.693 -1.250 -2.940 1.00 0.00 H new ATOM 0 HA GLU A 69 14.209 -2.324 -0.717 1.00 0.00 H new ATOM 0 HB2 GLU A 69 14.565 0.157 -1.479 1.00 0.00 H new ATOM 0 HB3 GLU A 69 13.238 -0.164 -2.579 1.00 0.00 H new ATOM 0 HG2 GLU A 69 12.133 0.648 -0.655 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.972 -1.088 -0.487 1.00 0.00 H new ATOM 802 N LEU A 70 13.289 -2.886 -3.786 1.00 0.00 N ATOM 803 CA LEU A 70 12.379 -3.648 -4.623 1.00 0.00 C ATOM 804 C LEU A 70 12.606 -5.143 -4.386 1.00 0.00 C ATOM 805 O LEU A 70 11.664 -5.878 -4.092 1.00 0.00 O ATOM 806 CB LEU A 70 12.522 -3.230 -6.088 1.00 0.00 C ATOM 807 CG LEU A 70 11.514 -2.195 -6.591 1.00 0.00 C ATOM 808 CD1 LEU A 70 10.184 -2.857 -6.956 1.00 0.00 C ATOM 809 CD2 LEU A 70 11.332 -1.067 -5.574 1.00 0.00 C ATOM 0 H LEU A 70 14.073 -2.463 -4.283 1.00 0.00 H new ATOM 0 HA LEU A 70 11.345 -3.435 -4.353 1.00 0.00 H new ATOM 0 HB2 LEU A 70 13.526 -2.832 -6.235 1.00 0.00 H new ATOM 0 HB3 LEU A 70 12.438 -4.122 -6.710 1.00 0.00 H new ATOM 0 HG LEU A 70 11.911 -1.747 -7.502 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.486 -2.099 -7.311 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.348 -3.595 -7.741 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.769 -3.350 -6.076 1.00 0.00 H new ATOM 0 HD21 LEU A 70 10.610 -0.345 -5.957 1.00 0.00 H new ATOM 0 HD22 LEU A 70 10.968 -1.480 -4.633 1.00 0.00 H new ATOM 0 HD23 LEU A 70 12.288 -0.571 -5.406 1.00 0.00 H new ATOM 821 N VAL A 71 13.860 -5.548 -4.522 1.00 0.00 N ATOM 822 CA VAL A 71 14.222 -6.941 -4.326 1.00 0.00 C ATOM 823 C VAL A 71 13.917 -7.344 -2.882 1.00 0.00 C ATOM 824 O VAL A 71 13.456 -8.456 -2.628 1.00 0.00 O ATOM 825 CB VAL A 71 15.686 -7.161 -4.712 1.00 0.00 C ATOM 826 CG1 VAL A 71 15.884 -7.010 -6.222 1.00 0.00 C ATOM 827 CG2 VAL A 71 16.604 -6.211 -3.941 1.00 0.00 C ATOM 0 H VAL A 71 14.638 -4.935 -4.766 1.00 0.00 H new ATOM 0 HA VAL A 71 13.629 -7.585 -4.975 1.00 0.00 H new ATOM 0 HB VAL A 71 15.955 -8.182 -4.440 1.00 0.00 H new ATOM 0 HG11 VAL A 71 16.933 -7.171 -6.469 1.00 0.00 H new ATOM 0 HG12 VAL A 71 15.271 -7.744 -6.745 1.00 0.00 H new ATOM 0 HG13 VAL A 71 15.589 -6.007 -6.529 1.00 0.00 H new ATOM 0 HG21 VAL A 71 17.639 -6.388 -4.234 1.00 0.00 H new ATOM 0 HG22 VAL A 71 16.334 -5.180 -4.168 1.00 0.00 H new ATOM 0 HG23 VAL A 71 16.494 -6.388 -2.871 1.00 0.00 H new ATOM 837 N LYS A 72 14.187 -6.418 -1.973 1.00 0.00 N ATOM 838 CA LYS A 72 13.948 -6.663 -0.561 1.00 0.00 C ATOM 839 C LYS A 72 12.440 -6.733 -0.309 1.00 0.00 C ATOM 840 O LYS A 72 11.958 -7.661 0.340 1.00 0.00 O ATOM 841 CB LYS A 72 14.666 -5.618 0.293 1.00 0.00 C ATOM 842 CG LYS A 72 14.456 -5.889 1.785 1.00 0.00 C ATOM 843 CD LYS A 72 14.488 -4.588 2.589 1.00 0.00 C ATOM 844 CE LYS A 72 15.912 -4.037 2.684 1.00 0.00 C ATOM 845 NZ LYS A 72 15.921 -2.749 3.413 1.00 0.00 N ATOM 0 H LYS A 72 14.569 -5.497 -2.187 1.00 0.00 H new ATOM 0 HA LYS A 72 14.367 -7.625 -0.265 1.00 0.00 H new ATOM 0 HB2 LYS A 72 15.732 -5.627 0.065 1.00 0.00 H new ATOM 0 HB3 LYS A 72 14.295 -4.624 0.045 1.00 0.00 H new ATOM 0 HG2 LYS A 72 13.500 -6.390 1.936 1.00 0.00 H new ATOM 0 HG3 LYS A 72 15.231 -6.564 2.148 1.00 0.00 H new ATOM 0 HD2 LYS A 72 13.839 -3.849 2.118 1.00 0.00 H new ATOM 0 HD3 LYS A 72 14.095 -4.765 3.590 1.00 0.00 H new ATOM 0 HE2 LYS A 72 16.553 -4.755 3.195 1.00 0.00 H new ATOM 0 HE3 LYS A 72 16.322 -3.899 1.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 16.895 -2.388 3.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 15.325 -2.061 2.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 15.549 -2.891 4.374 1.00 0.00 H new ATOM 859 N LYS A 73 11.738 -5.741 -0.834 1.00 0.00 N ATOM 860 CA LYS A 73 10.295 -5.678 -0.674 1.00 0.00 C ATOM 861 C LYS A 73 9.662 -6.924 -1.298 1.00 0.00 C ATOM 862 O LYS A 73 8.628 -7.399 -0.831 1.00 0.00 O ATOM 863 CB LYS A 73 9.750 -4.364 -1.237 1.00 0.00 C ATOM 864 CG LYS A 73 10.089 -3.190 -0.316 1.00 0.00 C ATOM 865 CD LYS A 73 8.938 -2.900 0.649 1.00 0.00 C ATOM 866 CE LYS A 73 9.273 -3.379 2.063 1.00 0.00 C ATOM 867 NZ LYS A 73 9.962 -2.312 2.822 1.00 0.00 N ATOM 0 H LYS A 73 12.141 -4.973 -1.371 1.00 0.00 H new ATOM 0 HA LYS A 73 10.029 -5.680 0.383 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.170 -4.187 -2.227 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.669 -4.436 -1.357 1.00 0.00 H new ATOM 0 HG2 LYS A 73 10.994 -3.416 0.249 1.00 0.00 H new ATOM 0 HG3 LYS A 73 10.299 -2.303 -0.914 1.00 0.00 H new ATOM 0 HD2 LYS A 73 8.732 -1.830 0.663 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.032 -3.395 0.299 1.00 0.00 H new ATOM 0 HE2 LYS A 73 8.359 -3.670 2.581 1.00 0.00 H new ATOM 0 HE3 LYS A 73 9.906 -4.265 2.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 10.182 -2.654 3.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 10.844 -2.054 2.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 9.345 -1.477 2.886 1.00 0.00 H new ATOM 881 N VAL A 74 10.310 -7.417 -2.343 1.00 0.00 N ATOM 882 CA VAL A 74 9.823 -8.598 -3.035 1.00 0.00 C ATOM 883 C VAL A 74 10.067 -9.832 -2.164 1.00 0.00 C ATOM 884 O VAL A 74 9.130 -10.554 -1.829 1.00 0.00 O ATOM 885 CB VAL A 74 10.477 -8.702 -4.415 1.00 0.00 C ATOM 886 CG1 VAL A 74 10.136 -10.035 -5.084 1.00 0.00 C ATOM 887 CG2 VAL A 74 10.074 -7.524 -5.303 1.00 0.00 C ATOM 0 H VAL A 74 11.168 -7.020 -2.727 1.00 0.00 H new ATOM 0 HA VAL A 74 8.748 -8.526 -3.203 1.00 0.00 H new ATOM 0 HB VAL A 74 11.558 -8.663 -4.277 1.00 0.00 H new ATOM 0 HG11 VAL A 74 10.613 -10.083 -6.063 1.00 0.00 H new ATOM 0 HG12 VAL A 74 10.496 -10.856 -4.464 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.056 -10.117 -5.202 1.00 0.00 H new ATOM 0 HG21 VAL A 74 10.552 -7.623 -6.277 1.00 0.00 H new ATOM 0 HG22 VAL A 74 8.991 -7.517 -5.429 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.391 -6.591 -4.836 1.00 0.00 H new ATOM 897 N VAL A 75 11.331 -10.034 -1.822 1.00 0.00 N ATOM 898 CA VAL A 75 11.710 -11.168 -0.995 1.00 0.00 C ATOM 899 C VAL A 75 10.879 -11.158 0.289 1.00 0.00 C ATOM 900 O VAL A 75 10.511 -12.213 0.804 1.00 0.00 O ATOM 901 CB VAL A 75 13.217 -11.144 -0.733 1.00 0.00 C ATOM 902 CG1 VAL A 75 13.525 -10.542 0.640 1.00 0.00 C ATOM 903 CG2 VAL A 75 13.819 -12.544 -0.865 1.00 0.00 C ATOM 0 H VAL A 75 12.105 -9.432 -2.102 1.00 0.00 H new ATOM 0 HA VAL A 75 11.499 -12.105 -1.511 1.00 0.00 H new ATOM 0 HB VAL A 75 13.678 -10.509 -1.489 1.00 0.00 H new ATOM 0 HG11 VAL A 75 14.603 -10.537 0.801 1.00 0.00 H new ATOM 0 HG12 VAL A 75 13.147 -9.521 0.683 1.00 0.00 H new ATOM 0 HG13 VAL A 75 13.045 -11.139 1.415 1.00 0.00 H new ATOM 0 HG21 VAL A 75 14.891 -12.499 -0.674 1.00 0.00 H new ATOM 0 HG22 VAL A 75 13.350 -13.212 -0.142 1.00 0.00 H new ATOM 0 HG23 VAL A 75 13.646 -12.921 -1.873 1.00 0.00 H new ATOM 913 N ALA A 76 10.607 -9.953 0.771 1.00 0.00 N ATOM 914 CA ALA A 76 9.826 -9.792 1.985 1.00 0.00 C ATOM 915 C ALA A 76 8.406 -10.308 1.746 1.00 0.00 C ATOM 916 O ALA A 76 7.902 -11.127 2.513 1.00 0.00 O ATOM 917 CB ALA A 76 9.848 -8.324 2.415 1.00 0.00 C ATOM 0 H ALA A 76 10.914 -9.080 0.342 1.00 0.00 H new ATOM 0 HA ALA A 76 10.256 -10.377 2.798 1.00 0.00 H new ATOM 0 HB1 ALA A 76 9.262 -8.203 3.326 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.876 -8.015 2.601 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.421 -7.707 1.624 1.00 0.00 H new ATOM 923 N VAL A 77 7.801 -9.808 0.679 1.00 0.00 N ATOM 924 CA VAL A 77 6.449 -10.208 0.329 1.00 0.00 C ATOM 925 C VAL A 77 6.397 -11.729 0.168 1.00 0.00 C ATOM 926 O VAL A 77 5.517 -12.386 0.721 1.00 0.00 O ATOM 927 CB VAL A 77 5.988 -9.458 -0.922 1.00 0.00 C ATOM 928 CG1 VAL A 77 4.563 -9.860 -1.309 1.00 0.00 C ATOM 929 CG2 VAL A 77 6.097 -7.945 -0.726 1.00 0.00 C ATOM 0 H VAL A 77 8.222 -9.129 0.045 1.00 0.00 H new ATOM 0 HA VAL A 77 5.754 -9.942 1.125 1.00 0.00 H new ATOM 0 HB VAL A 77 6.649 -9.738 -1.742 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.260 -9.312 -2.201 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.529 -10.931 -1.511 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.883 -9.624 -0.490 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.763 -7.436 -1.630 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.472 -7.641 0.114 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.134 -7.678 -0.521 1.00 0.00 H new ATOM 939 N CYS A 78 7.352 -12.244 -0.593 1.00 0.00 N ATOM 940 CA CYS A 78 7.427 -13.675 -0.834 1.00 0.00 C ATOM 941 C CYS A 78 7.456 -14.389 0.519 1.00 0.00 C ATOM 942 O CYS A 78 6.814 -15.424 0.692 1.00 0.00 O ATOM 943 CB CYS A 78 8.635 -14.041 -1.698 1.00 0.00 C ATOM 944 SG CYS A 78 9.970 -14.724 -0.651 1.00 0.00 S ATOM 0 H CYS A 78 8.080 -11.696 -1.051 1.00 0.00 H new ATOM 0 HA CYS A 78 6.551 -13.998 -1.396 1.00 0.00 H new ATOM 0 HB2 CYS A 78 8.344 -14.771 -2.453 1.00 0.00 H new ATOM 0 HB3 CYS A 78 8.993 -13.159 -2.229 1.00 0.00 H new ATOM 0 HG CYS A 78 10.454 -13.783 0.104 1.00 0.00 H new ATOM 950 N GLU A 79 8.207 -13.808 1.443 1.00 0.00 N ATOM 951 CA GLU A 79 8.328 -14.376 2.775 1.00 0.00 C ATOM 952 C GLU A 79 7.048 -14.128 3.576 1.00 0.00 C ATOM 953 O GLU A 79 6.707 -14.908 4.464 1.00 0.00 O ATOM 954 CB GLU A 79 9.549 -13.810 3.503 1.00 0.00 C ATOM 955 CG GLU A 79 10.825 -14.543 3.085 1.00 0.00 C ATOM 956 CD GLU A 79 11.961 -14.276 4.075 1.00 0.00 C ATOM 957 OE1 GLU A 79 13.105 -14.044 3.658 1.00 0.00 O ATOM 958 OE2 GLU A 79 11.620 -14.313 5.318 1.00 0.00 O ATOM 0 H GLU A 79 8.738 -12.950 1.296 1.00 0.00 H new ATOM 0 HA GLU A 79 8.470 -15.452 2.679 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.647 -12.747 3.283 1.00 0.00 H new ATOM 0 HB3 GLU A 79 9.409 -13.901 4.580 1.00 0.00 H new ATOM 0 HG2 GLU A 79 10.631 -15.614 3.029 1.00 0.00 H new ATOM 0 HG3 GLU A 79 11.124 -14.220 2.088 1.00 0.00 H new ATOM 966 N GLU A 80 6.375 -13.040 3.233 1.00 0.00 N ATOM 967 CA GLU A 80 5.141 -12.679 3.910 1.00 0.00 C ATOM 968 C GLU A 80 3.993 -13.570 3.429 1.00 0.00 C ATOM 969 O GLU A 80 2.979 -13.705 4.113 1.00 0.00 O ATOM 970 CB GLU A 80 4.812 -11.200 3.699 1.00 0.00 C ATOM 971 CG GLU A 80 3.618 -10.776 4.558 1.00 0.00 C ATOM 972 CD GLU A 80 3.345 -9.278 4.416 1.00 0.00 C ATOM 973 OE1 GLU A 80 4.255 -8.513 4.062 1.00 0.00 O ATOM 974 OE2 GLU A 80 2.137 -8.916 4.686 1.00 0.00 O ATOM 0 H GLU A 80 6.661 -12.396 2.495 1.00 0.00 H new ATOM 0 HA GLU A 80 5.276 -12.838 4.980 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.680 -10.591 3.951 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.590 -11.019 2.647 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.734 -11.340 4.262 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.814 -11.016 5.603 1.00 0.00 H new ATOM 982 N LEU A 81 4.191 -14.154 2.257 1.00 0.00 N ATOM 983 CA LEU A 81 3.185 -15.028 1.677 1.00 0.00 C ATOM 984 C LEU A 81 3.351 -16.438 2.247 1.00 0.00 C ATOM 985 O LEU A 81 2.440 -17.259 2.156 1.00 0.00 O ATOM 986 CB LEU A 81 3.243 -14.972 0.149 1.00 0.00 C ATOM 987 CG LEU A 81 2.515 -13.797 -0.507 1.00 0.00 C ATOM 988 CD1 LEU A 81 2.501 -13.941 -2.030 1.00 0.00 C ATOM 989 CD2 LEU A 81 1.105 -13.636 0.066 1.00 0.00 C ATOM 0 H LEU A 81 5.033 -14.039 1.693 1.00 0.00 H new ATOM 0 HA LEU A 81 2.185 -14.690 1.948 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.290 -14.940 -0.154 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.825 -15.898 -0.245 1.00 0.00 H new ATOM 0 HG LEU A 81 3.063 -12.884 -0.275 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.977 -13.093 -2.471 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.525 -13.969 -2.402 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.990 -14.864 -2.303 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.610 -12.794 -0.417 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.533 -14.546 -0.115 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.167 -13.453 1.139 1.00 0.00 H new ATOM 1001 N GLY A 82 4.521 -16.676 2.822 1.00 0.00 N ATOM 1002 CA GLY A 82 4.817 -17.972 3.407 1.00 0.00 C ATOM 1003 C GLY A 82 4.152 -19.098 2.611 1.00 0.00 C ATOM 1004 O GLY A 82 3.621 -20.043 3.192 1.00 0.00 O ATOM 0 H GLY A 82 5.275 -15.993 2.895 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.896 -18.126 3.431 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.469 -17.997 4.440 1.00 0.00 H new ATOM 1008 N ALA A 83 4.204 -18.959 1.295 1.00 0.00 N ATOM 1009 CA ALA A 83 3.613 -19.952 0.414 1.00 0.00 C ATOM 1010 C ALA A 83 4.715 -20.602 -0.425 1.00 0.00 C ATOM 1011 O ALA A 83 5.534 -19.909 -1.027 1.00 0.00 O ATOM 1012 CB ALA A 83 2.535 -19.293 -0.449 1.00 0.00 C ATOM 0 H ALA A 83 4.646 -18.174 0.817 1.00 0.00 H new ATOM 0 HA ALA A 83 3.130 -20.740 0.992 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.092 -20.038 -1.110 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.762 -18.872 0.193 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.982 -18.499 -1.046 1.00 0.00 H new ATOM 1018 N GLU A 84 4.700 -21.927 -0.440 1.00 0.00 N ATOM 1019 CA GLU A 84 5.687 -22.679 -1.196 1.00 0.00 C ATOM 1020 C GLU A 84 5.028 -23.871 -1.892 1.00 0.00 C ATOM 1021 O GLU A 84 5.675 -24.889 -2.134 1.00 0.00 O ATOM 1022 CB GLU A 84 6.835 -23.137 -0.294 1.00 0.00 C ATOM 1023 CG GLU A 84 7.052 -22.155 0.859 1.00 0.00 C ATOM 1024 CD GLU A 84 6.156 -22.502 2.050 1.00 0.00 C ATOM 1025 OE1 GLU A 84 5.079 -21.909 2.210 1.00 0.00 O ATOM 1026 OE2 GLU A 84 6.614 -23.426 2.826 1.00 0.00 O ATOM 0 H GLU A 84 4.019 -22.499 0.060 1.00 0.00 H new ATOM 0 HA GLU A 84 6.107 -22.024 -1.960 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.616 -24.128 0.104 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.750 -23.224 -0.880 1.00 0.00 H new ATOM 0 HG2 GLU A 84 8.097 -22.176 1.167 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.839 -21.140 0.522 1.00 0.00 H new ATOM 1034 N GLU A 85 3.748 -23.706 -2.194 1.00 0.00 N ATOM 1035 CA GLU A 85 2.994 -24.755 -2.857 1.00 0.00 C ATOM 1036 C GLU A 85 1.497 -24.580 -2.595 1.00 0.00 C ATOM 1037 O GLU A 85 1.104 -23.921 -1.634 1.00 0.00 O ATOM 1038 CB GLU A 85 3.470 -26.139 -2.411 1.00 0.00 C ATOM 1039 CG GLU A 85 4.416 -26.753 -3.444 1.00 0.00 C ATOM 1040 CD GLU A 85 3.882 -28.096 -3.947 1.00 0.00 C ATOM 1041 OE1 GLU A 85 3.389 -28.181 -5.082 1.00 0.00 O ATOM 1042 OE2 GLU A 85 3.993 -29.074 -3.113 1.00 0.00 O ATOM 0 H GLU A 85 3.214 -22.861 -1.991 1.00 0.00 H new ATOM 0 HA GLU A 85 3.167 -24.676 -3.930 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.977 -26.060 -1.449 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.611 -26.794 -2.265 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.537 -26.068 -4.283 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.402 -26.893 -3.001 1.00 0.00 H new ATOM 1050 N CYS A 86 0.702 -25.182 -3.468 1.00 0.00 N ATOM 1051 CA CYS A 86 -0.744 -25.101 -3.343 1.00 0.00 C ATOM 1052 C CYS A 86 -1.247 -26.406 -2.722 1.00 0.00 C ATOM 1053 O CYS A 86 -1.630 -27.330 -3.437 1.00 0.00 O ATOM 1054 CB CYS A 86 -1.413 -24.814 -4.689 1.00 0.00 C ATOM 1055 SG CYS A 86 -3.197 -25.212 -4.599 1.00 0.00 S ATOM 0 H CYS A 86 1.032 -25.728 -4.264 1.00 0.00 H new ATOM 0 HA CYS A 86 -1.009 -24.266 -2.695 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -1.279 -23.765 -4.955 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -0.939 -25.405 -5.473 1.00 0.00 H new ATOM 0 HG CYS A 86 -3.428 -26.317 -5.244 1.00 0.00 H new ATOM 1060 N PHE A 87 -1.228 -26.439 -1.398 1.00 0.00 N ATOM 1061 CA PHE A 87 -1.678 -27.615 -0.673 1.00 0.00 C ATOM 1062 C PHE A 87 -3.106 -27.992 -1.071 1.00 0.00 C ATOM 1063 O PHE A 87 -3.490 -29.158 -0.992 1.00 0.00 O ATOM 1064 CB PHE A 87 -1.652 -27.261 0.815 1.00 0.00 C ATOM 1065 CG PHE A 87 -0.244 -27.157 1.406 1.00 0.00 C ATOM 1066 CD1 PHE A 87 0.553 -28.257 1.461 1.00 0.00 C ATOM 1067 CD2 PHE A 87 0.210 -25.964 1.875 1.00 0.00 C ATOM 1068 CE1 PHE A 87 1.859 -28.161 2.009 1.00 0.00 C ATOM 1069 CE2 PHE A 87 1.516 -25.868 2.423 1.00 0.00 C ATOM 1070 CZ PHE A 87 2.313 -26.968 2.479 1.00 0.00 C ATOM 0 H PHE A 87 -0.908 -25.671 -0.808 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.031 -28.462 -0.901 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -2.167 -26.312 0.961 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -2.212 -28.016 1.367 1.00 0.00 H new ATOM 0 HD1 PHE A 87 0.192 -29.204 1.088 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -0.423 -25.090 1.831 1.00 0.00 H new ATOM 0 HE1 PHE A 87 2.492 -29.035 2.053 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.877 -24.921 2.796 1.00 0.00 H new ATOM 0 HZ PHE A 87 3.306 -26.895 2.897 1.00 0.00 H new ATOM 1080 N SER A 88 -3.856 -26.983 -1.489 1.00 0.00 N ATOM 1081 CA SER A 88 -5.234 -27.193 -1.899 1.00 0.00 C ATOM 1082 C SER A 88 -5.288 -28.193 -3.056 1.00 0.00 C ATOM 1083 O SER A 88 -6.350 -28.732 -3.366 1.00 0.00 O ATOM 1084 CB SER A 88 -5.895 -25.875 -2.306 1.00 0.00 C ATOM 1085 OG SER A 88 -5.970 -24.957 -1.219 1.00 0.00 O ATOM 0 H SER A 88 -3.535 -26.017 -1.553 1.00 0.00 H new ATOM 0 HA SER A 88 -5.786 -27.597 -1.050 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.332 -25.424 -3.123 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.898 -26.074 -2.682 1.00 0.00 H new ATOM 0 HG SER A 88 -6.560 -24.212 -1.460 1.00 0.00 H new ATOM 1091 N CYS A 89 -4.131 -28.412 -3.663 1.00 0.00 N ATOM 1092 CA CYS A 89 -4.034 -29.338 -4.778 1.00 0.00 C ATOM 1093 C CYS A 89 -4.595 -30.689 -4.331 1.00 0.00 C ATOM 1094 O CYS A 89 -5.004 -31.500 -5.161 1.00 0.00 O ATOM 1095 CB CYS A 89 -2.597 -29.458 -5.290 1.00 0.00 C ATOM 1096 SG CYS A 89 -2.332 -28.307 -6.688 1.00 0.00 S ATOM 0 H CYS A 89 -3.252 -27.964 -3.403 1.00 0.00 H new ATOM 0 HA CYS A 89 -4.619 -28.963 -5.618 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -1.896 -29.234 -4.486 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -2.400 -30.482 -5.609 1.00 0.00 H new ATOM 0 HG CYS A 89 -1.108 -28.416 -7.114 1.00 0.00 H new