USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 498 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0.0067 USER MOD Single : A 7 THR OG1 : rot -32:sc= 1.14 USER MOD Single : A 16 THR OG1 : rot 75:sc= 0.951 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -150:sc= 0.0994 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0.0131 USER MOD Single : A 58 THR OG1 : rot -59:sc= 1.09 USER MOD Single : A 59 TYR OH : rot 180:sc= 0.782 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00994) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -4.119 24.888 2.629 1.00 25.00 N ATOM 2 CA ALA A 1 -2.819 24.183 2.691 1.00 25.00 C ATOM 3 C ALA A 1 -2.701 22.969 1.763 1.00 25.00 C ATOM 4 O ALA A 1 -3.654 22.348 1.341 1.00 25.00 O ATOM 5 CB ALA A 1 -2.578 23.768 4.151 1.00 25.00 C ATOM 0 H1 ALA A 1 -4.109 25.693 3.287 1.00 25.00 H new ATOM 0 H2 ALA A 1 -4.281 25.234 1.662 1.00 25.00 H new ATOM 0 H3 ALA A 1 -4.882 24.233 2.894 1.00 25.00 H new ATOM 0 HA ALA A 1 -2.057 24.876 2.333 1.00 25.00 H new ATOM 0 HB1 ALA A 1 -1.625 23.245 4.228 1.00 25.00 H new ATOM 0 HB2 ALA A 1 -2.557 24.656 4.783 1.00 25.00 H new ATOM 0 HB3 ALA A 1 -3.381 23.108 4.479 1.00 25.00 H new ATOM 10 N TYR A 2 -1.454 22.630 1.420 1.00 25.00 N ATOM 11 CA TYR A 2 -1.183 21.481 0.561 1.00 25.00 C ATOM 12 C TYR A 2 -1.028 20.232 1.429 1.00 25.00 C ATOM 13 O TYR A 2 -0.830 20.335 2.639 1.00 25.00 O ATOM 14 CB TYR A 2 0.078 21.722 -0.273 1.00 25.00 C ATOM 15 CG TYR A 2 0.118 20.883 -1.533 1.00 25.00 C ATOM 16 CD1 TYR A 2 0.904 19.714 -1.606 1.00 25.00 C ATOM 17 CD2 TYR A 2 -0.645 21.248 -2.662 1.00 25.00 C ATOM 18 CE1 TYR A 2 0.923 18.920 -2.788 1.00 25.00 C ATOM 19 CE2 TYR A 2 -0.625 20.459 -3.843 1.00 25.00 C ATOM 20 CZ TYR A 2 0.157 19.305 -3.893 1.00 25.00 C ATOM 21 OH TYR A 2 0.169 18.547 -5.036 1.00 25.00 O ATOM 0 H TYR A 2 -0.622 23.135 1.724 1.00 25.00 H new ATOM 0 HA TYR A 2 -2.016 21.337 -0.127 1.00 25.00 H new ATOM 0 HB2 TYR A 2 0.134 22.777 -0.542 1.00 25.00 H new ATOM 0 HB3 TYR A 2 0.957 21.501 0.333 1.00 25.00 H new ATOM 0 HD1 TYR A 2 1.499 19.417 -0.755 1.00 25.00 H new ATOM 0 HD2 TYR A 2 -1.253 22.140 -2.628 1.00 25.00 H new ATOM 0 HE1 TYR A 2 1.526 18.025 -2.831 1.00 25.00 H new ATOM 0 HE2 TYR A 2 -1.214 20.752 -4.700 1.00 25.00 H new ATOM 0 HH TYR A 2 -0.419 18.955 -5.706 1.00 25.00 H new ATOM 31 N ARG A 3 -1.118 19.058 0.818 1.00 25.00 N ATOM 32 CA ARG A 3 -0.996 17.796 1.557 1.00 25.00 C ATOM 33 C ARG A 3 0.406 17.703 2.172 1.00 25.00 C ATOM 34 O ARG A 3 1.387 18.130 1.556 1.00 25.00 O ATOM 35 CB ARG A 3 -1.248 16.604 0.633 1.00 25.00 C ATOM 36 CG ARG A 3 -2.654 16.592 0.032 1.00 25.00 C ATOM 37 CD ARG A 3 -2.829 15.491 -1.006 1.00 25.00 C ATOM 38 NE ARG A 3 -4.159 15.589 -1.637 1.00 25.00 N ATOM 39 CZ ARG A 3 -4.538 14.944 -2.736 1.00 25.00 C ATOM 40 NH1 ARG A 3 -3.752 14.130 -3.378 1.00 25.00 N ATOM 41 NH2 ARG A 3 -5.743 15.134 -3.199 1.00 25.00 N ATOM 0 H ARG A 3 -1.274 18.947 -0.184 1.00 25.00 H new ATOM 0 HA ARG A 3 -1.743 17.774 2.350 1.00 25.00 H new ATOM 0 HB2 ARG A 3 -0.515 16.617 -0.174 1.00 25.00 H new ATOM 0 HB3 ARG A 3 -1.091 15.681 1.191 1.00 25.00 H new ATOM 0 HG2 ARG A 3 -3.386 16.457 0.828 1.00 25.00 H new ATOM 0 HG3 ARG A 3 -2.858 17.559 -0.429 1.00 25.00 H new ATOM 0 HD2 ARG A 3 -2.052 15.571 -1.766 1.00 25.00 H new ATOM 0 HD3 ARG A 3 -2.714 14.515 -0.534 1.00 25.00 H new ATOM 0 HE ARG A 3 -4.844 16.202 -1.194 1.00 25.00 H new ATOM 0 HH11 ARG A 3 -2.803 13.966 -3.042 1.00 25.00 H new ATOM 0 HH12 ARG A 3 -4.085 13.656 -4.218 1.00 25.00 H new ATOM 0 HH21 ARG A 3 -6.379 15.770 -2.719 1.00 25.00 H new ATOM 0 HH22 ARG A 3 -6.049 14.646 -4.041 1.00 25.00 H new ATOM 55 N PRO A 4 0.512 17.181 3.404 1.00 25.00 N ATOM 56 CA PRO A 4 1.806 17.197 4.089 1.00 25.00 C ATOM 57 C PRO A 4 2.770 16.099 3.652 1.00 25.00 C ATOM 58 O PRO A 4 2.375 15.030 3.187 1.00 25.00 O ATOM 59 CB PRO A 4 1.406 17.013 5.554 1.00 25.00 C ATOM 60 CG PRO A 4 0.205 16.156 5.492 1.00 25.00 C ATOM 61 CD PRO A 4 -0.544 16.610 4.260 1.00 25.00 C ATOM 0 HA PRO A 4 2.357 18.112 3.871 1.00 25.00 H new ATOM 0 HB2 PRO A 4 2.203 16.542 6.129 1.00 25.00 H new ATOM 0 HB3 PRO A 4 1.190 17.969 6.032 1.00 25.00 H new ATOM 0 HG2 PRO A 4 0.476 15.103 5.422 1.00 25.00 H new ATOM 0 HG3 PRO A 4 -0.406 16.269 6.388 1.00 25.00 H new ATOM 0 HD2 PRO A 4 -1.052 15.779 3.770 1.00 25.00 H new ATOM 0 HD3 PRO A 4 -1.306 17.350 4.504 1.00 25.00 H new ATOM 69 N SER A 5 4.050 16.355 3.867 1.00 25.00 N ATOM 70 CA SER A 5 5.112 15.400 3.557 1.00 25.00 C ATOM 71 C SER A 5 5.373 14.485 4.756 1.00 25.00 C ATOM 72 O SER A 5 6.512 14.214 5.099 1.00 25.00 O ATOM 73 CB SER A 5 6.384 16.174 3.213 1.00 25.00 C ATOM 74 OG SER A 5 6.720 17.052 4.275 1.00 25.00 O ATOM 0 H SER A 5 4.387 17.233 4.263 1.00 25.00 H new ATOM 0 HA SER A 5 4.809 14.783 2.711 1.00 25.00 H new ATOM 0 HB2 SER A 5 7.204 15.479 3.031 1.00 25.00 H new ATOM 0 HB3 SER A 5 6.237 16.741 2.294 1.00 25.00 H new ATOM 0 HG SER A 5 7.537 17.543 4.047 1.00 25.00 H new ATOM 80 N GLU A 6 4.308 14.056 5.417 1.00 25.00 N ATOM 81 CA GLU A 6 4.434 13.251 6.638 1.00 25.00 C ATOM 82 C GLU A 6 4.960 11.835 6.372 1.00 25.00 C ATOM 83 O GLU A 6 5.498 11.203 7.272 1.00 25.00 O ATOM 84 CB GLU A 6 3.081 13.174 7.362 1.00 25.00 C ATOM 85 CG GLU A 6 2.014 12.342 6.644 1.00 25.00 C ATOM 86 CD GLU A 6 0.696 12.363 7.358 1.00 25.00 C ATOM 87 OE1 GLU A 6 -0.023 13.320 7.386 1.00 25.00 O ATOM 88 OE2 GLU A 6 0.416 11.247 7.955 1.00 25.00 O ATOM 0 H GLU A 6 3.347 14.247 5.135 1.00 25.00 H new ATOM 0 HA GLU A 6 5.169 13.752 7.268 1.00 25.00 H new ATOM 0 HB2 GLU A 6 3.240 12.755 8.356 1.00 25.00 H new ATOM 0 HB3 GLU A 6 2.700 14.186 7.500 1.00 25.00 H new ATOM 0 HG2 GLU A 6 1.881 12.722 5.631 1.00 25.00 H new ATOM 0 HG3 GLU A 6 2.359 11.312 6.555 1.00 25.00 H new ATOM 96 N THR A 7 4.787 11.370 5.134 1.00 25.00 N ATOM 97 CA THR A 7 5.172 10.013 4.683 1.00 25.00 C ATOM 98 C THR A 7 4.510 8.863 5.463 1.00 25.00 C ATOM 99 O THR A 7 3.770 9.066 6.425 1.00 25.00 O ATOM 100 CB THR A 7 6.726 9.792 4.670 1.00 25.00 C ATOM 101 OG1 THR A 7 7.216 9.636 6.002 1.00 25.00 O ATOM 102 CG2 THR A 7 7.451 10.954 4.010 1.00 25.00 C ATOM 0 H THR A 7 4.367 11.931 4.393 1.00 25.00 H new ATOM 0 HA THR A 7 4.791 9.977 3.662 1.00 25.00 H new ATOM 0 HB THR A 7 6.919 8.887 4.094 1.00 25.00 H new ATOM 0 HG1 THR A 7 6.671 10.171 6.616 1.00 25.00 H new ATOM 0 HG21 THR A 7 8.525 10.766 4.020 1.00 25.00 H new ATOM 0 HG22 THR A 7 7.110 11.058 2.980 1.00 25.00 H new ATOM 0 HG23 THR A 7 7.239 11.873 4.557 1.00 25.00 H new ATOM 110 N LEU A 8 4.762 7.652 4.994 1.00 25.00 N ATOM 111 CA LEU A 8 4.258 6.425 5.594 1.00 25.00 C ATOM 112 C LEU A 8 5.361 5.392 5.459 1.00 25.00 C ATOM 113 O LEU A 8 5.739 4.997 4.357 1.00 25.00 O ATOM 114 CB LEU A 8 3.012 5.958 4.855 1.00 25.00 C ATOM 115 CG LEU A 8 2.251 4.771 5.440 1.00 25.00 C ATOM 116 CD1 LEU A 8 1.637 5.089 6.803 1.00 25.00 C ATOM 117 CD2 LEU A 8 1.157 4.386 4.459 1.00 25.00 C ATOM 0 H LEU A 8 5.336 7.490 4.166 1.00 25.00 H new ATOM 0 HA LEU A 8 3.988 6.578 6.639 1.00 25.00 H new ATOM 0 HB2 LEU A 8 2.323 6.800 4.790 1.00 25.00 H new ATOM 0 HB3 LEU A 8 3.301 5.703 3.835 1.00 25.00 H new ATOM 0 HG LEU A 8 2.951 3.949 5.594 1.00 25.00 H new ATOM 0 HD11 LEU A 8 1.107 4.213 7.176 1.00 25.00 H new ATOM 0 HD12 LEU A 8 2.427 5.361 7.503 1.00 25.00 H new ATOM 0 HD13 LEU A 8 0.939 5.920 6.703 1.00 25.00 H new ATOM 0 HD21 LEU A 8 0.597 3.538 4.853 1.00 25.00 H new ATOM 0 HD22 LEU A 8 0.484 5.231 4.315 1.00 25.00 H new ATOM 0 HD23 LEU A 8 1.605 4.112 3.504 1.00 25.00 H new ATOM 129 N CYS A 9 5.936 5.015 6.584 1.00 25.00 N ATOM 130 CA CYS A 9 7.106 4.142 6.592 1.00 25.00 C ATOM 131 C CYS A 9 7.250 3.480 7.958 1.00 25.00 C ATOM 132 O CYS A 9 6.359 3.593 8.790 1.00 25.00 O ATOM 133 CB CYS A 9 8.356 4.968 6.266 1.00 25.00 C ATOM 134 SG CYS A 9 9.613 4.048 5.321 1.00 25.00 S ATOM 0 H CYS A 9 5.615 5.298 7.510 1.00 25.00 H new ATOM 0 HA CYS A 9 6.986 3.362 5.840 1.00 25.00 H new ATOM 0 HB2 CYS A 9 8.060 5.850 5.698 1.00 25.00 H new ATOM 0 HB3 CYS A 9 8.800 5.322 7.196 1.00 25.00 H new ATOM 139 N GLY A 10 8.363 2.796 8.192 1.00 25.00 N ATOM 140 CA GLY A 10 8.613 2.201 9.501 1.00 25.00 C ATOM 141 C GLY A 10 7.659 1.079 9.861 1.00 25.00 C ATOM 142 O GLY A 10 7.318 0.902 11.016 1.00 25.00 O ATOM 0 H GLY A 10 9.099 2.640 7.503 1.00 25.00 H new ATOM 0 HA2 GLY A 10 9.633 1.818 9.526 1.00 25.00 H new ATOM 0 HA3 GLY A 10 8.546 2.979 10.261 1.00 25.00 H new ATOM 146 N GLY A 11 7.195 0.342 8.861 1.00 25.00 N ATOM 147 CA GLY A 11 6.254 -0.746 9.097 1.00 25.00 C ATOM 148 C GLY A 11 4.804 -0.308 9.017 1.00 25.00 C ATOM 149 O GLY A 11 3.949 -1.104 8.653 1.00 25.00 O ATOM 0 H GLY A 11 7.453 0.476 7.883 1.00 25.00 H new ATOM 0 HA2 GLY A 11 6.430 -1.535 8.366 1.00 25.00 H new ATOM 0 HA3 GLY A 11 6.444 -1.175 10.081 1.00 25.00 H new ATOM 153 N GLU A 12 4.538 0.971 9.258 1.00 25.00 N ATOM 154 CA GLU A 12 3.171 1.506 9.169 1.00 25.00 C ATOM 155 C GLU A 12 2.635 1.341 7.747 1.00 25.00 C ATOM 156 O GLU A 12 1.442 1.197 7.527 1.00 25.00 O ATOM 157 CB GLU A 12 3.151 2.999 9.533 1.00 25.00 C ATOM 158 CG GLU A 12 3.672 3.344 10.935 1.00 25.00 C ATOM 159 CD GLU A 12 2.667 3.059 12.014 1.00 25.00 C ATOM 160 OE1 GLU A 12 2.329 1.962 12.324 1.00 25.00 O ATOM 161 OE2 GLU A 12 2.219 4.129 12.594 1.00 25.00 O ATOM 0 H GLU A 12 5.244 1.660 9.516 1.00 25.00 H new ATOM 0 HA GLU A 12 2.545 0.953 9.869 1.00 25.00 H new ATOM 0 HB2 GLU A 12 3.747 3.542 8.799 1.00 25.00 H new ATOM 0 HB3 GLU A 12 2.127 3.363 9.445 1.00 25.00 H new ATOM 0 HG2 GLU A 12 4.580 2.774 11.131 1.00 25.00 H new ATOM 0 HG3 GLU A 12 3.944 4.399 10.967 1.00 25.00 H new ATOM 168 N LEU A 13 3.543 1.336 6.779 1.00 25.00 N ATOM 169 CA LEU A 13 3.167 1.138 5.382 1.00 25.00 C ATOM 170 C LEU A 13 2.559 -0.237 5.175 1.00 25.00 C ATOM 171 O LEU A 13 1.575 -0.390 4.477 1.00 25.00 O ATOM 172 CB LEU A 13 4.396 1.261 4.480 1.00 25.00 C ATOM 173 CG LEU A 13 4.229 2.143 3.236 1.00 25.00 C ATOM 174 CD1 LEU A 13 5.524 2.084 2.433 1.00 25.00 C ATOM 175 CD2 LEU A 13 3.059 1.771 2.357 1.00 25.00 C ATOM 0 H LEU A 13 4.543 1.466 6.933 1.00 25.00 H new ATOM 0 HA LEU A 13 2.434 1.903 5.126 1.00 25.00 H new ATOM 0 HB2 LEU A 13 5.220 1.656 5.074 1.00 25.00 H new ATOM 0 HB3 LEU A 13 4.687 0.262 4.157 1.00 25.00 H new ATOM 0 HG LEU A 13 4.014 3.153 3.586 1.00 25.00 H new ATOM 0 HD11 LEU A 13 5.428 2.705 1.542 1.00 25.00 H new ATOM 0 HD12 LEU A 13 6.348 2.451 3.044 1.00 25.00 H new ATOM 0 HD13 LEU A 13 5.722 1.054 2.138 1.00 25.00 H new ATOM 0 HD21 LEU A 13 3.017 2.446 1.502 1.00 25.00 H new ATOM 0 HD22 LEU A 13 3.180 0.747 2.005 1.00 25.00 H new ATOM 0 HD23 LEU A 13 2.134 1.852 2.929 1.00 25.00 H new ATOM 187 N VAL A 14 3.183 -1.236 5.777 1.00 25.00 N ATOM 188 CA VAL A 14 2.753 -2.625 5.634 1.00 25.00 C ATOM 189 C VAL A 14 1.400 -2.808 6.308 1.00 25.00 C ATOM 190 O VAL A 14 0.523 -3.459 5.760 1.00 25.00 O ATOM 191 CB VAL A 14 3.797 -3.603 6.256 1.00 25.00 C ATOM 192 CG1 VAL A 14 3.338 -5.060 6.127 1.00 25.00 C ATOM 193 CG2 VAL A 14 5.164 -3.432 5.561 1.00 25.00 C ATOM 0 H VAL A 14 3.999 -1.112 6.377 1.00 25.00 H new ATOM 0 HA VAL A 14 2.668 -2.855 4.572 1.00 25.00 H new ATOM 0 HB VAL A 14 3.891 -3.362 7.315 1.00 25.00 H new ATOM 0 HG11 VAL A 14 4.086 -5.718 6.569 1.00 25.00 H new ATOM 0 HG12 VAL A 14 2.388 -5.190 6.646 1.00 25.00 H new ATOM 0 HG13 VAL A 14 3.213 -5.310 5.074 1.00 25.00 H new ATOM 0 HG21 VAL A 14 5.885 -4.119 6.003 1.00 25.00 H new ATOM 0 HG22 VAL A 14 5.061 -3.648 4.498 1.00 25.00 H new ATOM 0 HG23 VAL A 14 5.513 -2.407 5.691 1.00 25.00 H new ATOM 203 N ASP A 15 1.220 -2.185 7.461 1.00 25.00 N ATOM 204 CA ASP A 15 -0.060 -2.234 8.174 1.00 25.00 C ATOM 205 C ASP A 15 -1.165 -1.624 7.312 1.00 25.00 C ATOM 206 O ASP A 15 -2.210 -2.229 7.094 1.00 25.00 O ATOM 207 CB ASP A 15 0.055 -1.466 9.491 1.00 25.00 C ATOM 208 CG ASP A 15 -1.218 -1.525 10.306 1.00 25.00 C ATOM 209 OD1 ASP A 15 -2.033 -0.585 10.200 1.00 25.00 O ATOM 210 OD2 ASP A 15 -1.392 -2.495 11.070 1.00 25.00 O ATOM 0 H ASP A 15 1.941 -1.637 7.929 1.00 25.00 H new ATOM 0 HA ASP A 15 -0.311 -3.274 8.384 1.00 25.00 H new ATOM 0 HB2 ASP A 15 0.878 -1.876 10.077 1.00 25.00 H new ATOM 0 HB3 ASP A 15 0.301 -0.425 9.281 1.00 25.00 H new ATOM 215 N THR A 16 -0.886 -0.461 6.744 1.00 25.00 N ATOM 216 CA THR A 16 -1.840 0.201 5.854 1.00 25.00 C ATOM 217 C THR A 16 -2.146 -0.666 4.634 1.00 25.00 C ATOM 218 O THR A 16 -3.290 -0.785 4.226 1.00 25.00 O ATOM 219 CB THR A 16 -1.287 1.560 5.370 1.00 25.00 C ATOM 220 OG1 THR A 16 -0.929 2.361 6.501 1.00 25.00 O ATOM 221 CG2 THR A 16 -2.315 2.333 4.556 1.00 25.00 C ATOM 0 H THR A 16 -0.011 0.046 6.880 1.00 25.00 H new ATOM 0 HA THR A 16 -2.756 0.360 6.423 1.00 25.00 H new ATOM 0 HB THR A 16 -0.421 1.352 4.741 1.00 25.00 H new ATOM 0 HG1 THR A 16 -0.093 2.026 6.887 1.00 25.00 H new ATOM 0 HG21 THR A 16 -1.886 3.282 4.235 1.00 25.00 H new ATOM 0 HG22 THR A 16 -2.600 1.749 3.681 1.00 25.00 H new ATOM 0 HG23 THR A 16 -3.197 2.522 5.168 1.00 25.00 H new ATOM 229 N LEU A 17 -1.128 -1.290 4.058 1.00 25.00 N ATOM 230 CA LEU A 17 -1.325 -2.147 2.889 1.00 25.00 C ATOM 231 C LEU A 17 -2.205 -3.349 3.236 1.00 25.00 C ATOM 232 O LEU A 17 -3.066 -3.731 2.451 1.00 25.00 O ATOM 233 CB LEU A 17 0.028 -2.623 2.352 1.00 25.00 C ATOM 234 CG LEU A 17 0.769 -1.601 1.475 1.00 25.00 C ATOM 235 CD1 LEU A 17 2.271 -1.841 1.531 1.00 25.00 C ATOM 236 CD2 LEU A 17 0.293 -1.678 0.021 1.00 25.00 C ATOM 0 H LEU A 17 -0.161 -1.222 4.376 1.00 25.00 H new ATOM 0 HA LEU A 17 -1.830 -1.564 2.119 1.00 25.00 H new ATOM 0 HB2 LEU A 17 0.666 -2.887 3.196 1.00 25.00 H new ATOM 0 HB3 LEU A 17 -0.127 -3.533 1.773 1.00 25.00 H new ATOM 0 HG LEU A 17 0.548 -0.607 1.864 1.00 25.00 H new ATOM 0 HD11 LEU A 17 2.780 -1.109 0.904 1.00 25.00 H new ATOM 0 HD12 LEU A 17 2.617 -1.742 2.560 1.00 25.00 H new ATOM 0 HD13 LEU A 17 2.493 -2.845 1.169 1.00 25.00 H new ATOM 0 HD21 LEU A 17 0.833 -0.945 -0.578 1.00 25.00 H new ATOM 0 HD22 LEU A 17 0.482 -2.677 -0.371 1.00 25.00 H new ATOM 0 HD23 LEU A 17 -0.775 -1.467 -0.024 1.00 25.00 H new ATOM 248 N GLN A 18 -2.023 -3.913 4.421 1.00 25.00 N ATOM 249 CA GLN A 18 -2.862 -5.026 4.866 1.00 25.00 C ATOM 250 C GLN A 18 -4.295 -4.555 5.096 1.00 25.00 C ATOM 251 O GLN A 18 -5.232 -5.267 4.778 1.00 25.00 O ATOM 252 CB GLN A 18 -2.311 -5.646 6.156 1.00 25.00 C ATOM 253 CG GLN A 18 -1.036 -6.454 5.943 1.00 25.00 C ATOM 254 CD GLN A 18 -0.481 -7.032 7.229 1.00 25.00 C ATOM 255 OE1 GLN A 18 -1.106 -6.990 8.269 1.00 25.00 O ATOM 256 NE2 GLN A 18 0.699 -7.591 7.153 1.00 25.00 N ATOM 0 H GLN A 18 -1.309 -3.624 5.090 1.00 25.00 H new ATOM 0 HA GLN A 18 -2.855 -5.784 4.083 1.00 25.00 H new ATOM 0 HB2 GLN A 18 -2.113 -4.852 6.876 1.00 25.00 H new ATOM 0 HB3 GLN A 18 -3.072 -6.291 6.594 1.00 25.00 H new ATOM 0 HG2 GLN A 18 -1.239 -7.265 5.244 1.00 25.00 H new ATOM 0 HG3 GLN A 18 -0.281 -5.817 5.482 1.00 25.00 H new ATOM 0 HE21 GLN A 18 1.198 -7.610 6.264 1.00 25.00 H new ATOM 0 HE22 GLN A 18 1.120 -8.008 7.983 1.00 25.00 H new ATOM 265 N PHE A 19 -4.473 -3.352 5.617 1.00 25.00 N ATOM 266 CA PHE A 19 -5.817 -2.818 5.832 1.00 25.00 C ATOM 267 C PHE A 19 -6.541 -2.527 4.509 1.00 25.00 C ATOM 268 O PHE A 19 -7.709 -2.863 4.346 1.00 25.00 O ATOM 269 CB PHE A 19 -5.739 -1.537 6.667 1.00 25.00 C ATOM 270 CG PHE A 19 -7.087 -0.990 7.052 1.00 25.00 C ATOM 271 CD1 PHE A 19 -7.706 0.006 6.272 1.00 25.00 C ATOM 272 CD2 PHE A 19 -7.753 -1.477 8.192 1.00 25.00 C ATOM 273 CE1 PHE A 19 -8.982 0.513 6.625 1.00 25.00 C ATOM 274 CE2 PHE A 19 -9.029 -0.978 8.557 1.00 25.00 C ATOM 275 CZ PHE A 19 -9.644 0.017 7.769 1.00 25.00 C ATOM 0 H PHE A 19 -3.716 -2.729 5.898 1.00 25.00 H new ATOM 0 HA PHE A 19 -6.390 -3.577 6.364 1.00 25.00 H new ATOM 0 HB2 PHE A 19 -5.165 -1.737 7.572 1.00 25.00 H new ATOM 0 HB3 PHE A 19 -5.195 -0.778 6.105 1.00 25.00 H new ATOM 0 HD1 PHE A 19 -7.203 0.388 5.396 1.00 25.00 H new ATOM 0 HD2 PHE A 19 -7.286 -2.241 8.797 1.00 25.00 H new ATOM 0 HE1 PHE A 19 -9.447 1.277 6.020 1.00 25.00 H new ATOM 0 HE2 PHE A 19 -9.528 -1.359 9.436 1.00 25.00 H new ATOM 0 HZ PHE A 19 -10.618 0.398 8.040 1.00 25.00 H new ATOM 285 N VAL A 20 -5.850 -1.886 3.576 1.00 25.00 N ATOM 286 CA VAL A 20 -6.452 -1.492 2.295 1.00 25.00 C ATOM 287 C VAL A 20 -6.727 -2.701 1.392 1.00 25.00 C ATOM 288 O VAL A 20 -7.766 -2.766 0.734 1.00 25.00 O ATOM 289 CB VAL A 20 -5.522 -0.472 1.534 1.00 25.00 C ATOM 290 CG1 VAL A 20 -6.060 -0.144 0.138 1.00 25.00 C ATOM 291 CG2 VAL A 20 -5.404 0.844 2.319 1.00 25.00 C ATOM 0 H VAL A 20 -4.869 -1.624 3.676 1.00 25.00 H new ATOM 0 HA VAL A 20 -7.405 -1.017 2.527 1.00 25.00 H new ATOM 0 HB VAL A 20 -4.547 -0.950 1.441 1.00 25.00 H new ATOM 0 HG11 VAL A 20 -5.391 0.562 -0.353 1.00 25.00 H new ATOM 0 HG12 VAL A 20 -6.120 -1.058 -0.453 1.00 25.00 H new ATOM 0 HG13 VAL A 20 -7.053 0.298 0.225 1.00 25.00 H new ATOM 0 HG21 VAL A 20 -4.758 1.534 1.777 1.00 25.00 H new ATOM 0 HG22 VAL A 20 -6.393 1.288 2.436 1.00 25.00 H new ATOM 0 HG23 VAL A 20 -4.978 0.644 3.302 1.00 25.00 H new ATOM 301 N CYS A 21 -5.788 -3.634 1.322 1.00 25.00 N ATOM 302 CA CYS A 21 -5.898 -4.756 0.386 1.00 25.00 C ATOM 303 C CYS A 21 -6.459 -6.031 1.010 1.00 25.00 C ATOM 304 O CYS A 21 -6.863 -6.962 0.302 1.00 25.00 O ATOM 305 CB CYS A 21 -4.521 -5.040 -0.200 1.00 25.00 C ATOM 306 SG CYS A 21 -3.746 -3.553 -0.918 1.00 25.00 S ATOM 0 H CYS A 21 -4.945 -3.641 1.896 1.00 25.00 H new ATOM 0 HA CYS A 21 -6.609 -4.458 -0.385 1.00 25.00 H new ATOM 0 HB2 CYS A 21 -3.874 -5.442 0.580 1.00 25.00 H new ATOM 0 HB3 CYS A 21 -4.608 -5.807 -0.969 1.00 25.00 H new ATOM 311 N GLY A 22 -6.476 -6.084 2.330 1.00 25.00 N ATOM 312 CA GLY A 22 -6.977 -7.253 3.022 1.00 25.00 C ATOM 313 C GLY A 22 -6.088 -8.469 2.841 1.00 25.00 C ATOM 314 O GLY A 22 -4.932 -8.386 2.421 1.00 25.00 O ATOM 0 H GLY A 22 -6.150 -5.334 2.940 1.00 25.00 H new ATOM 0 HA2 GLY A 22 -7.067 -7.029 4.085 1.00 25.00 H new ATOM 0 HA3 GLY A 22 -7.978 -7.483 2.659 1.00 25.00 H new ATOM 318 N ASP A 23 -6.675 -9.622 3.120 1.00 25.00 N ATOM 319 CA ASP A 23 -5.999 -10.921 3.017 1.00 25.00 C ATOM 320 C ASP A 23 -5.683 -11.326 1.566 1.00 25.00 C ATOM 321 O ASP A 23 -5.162 -12.399 1.305 1.00 25.00 O ATOM 322 CB ASP A 23 -6.911 -11.975 3.650 1.00 25.00 C ATOM 323 CG ASP A 23 -6.234 -13.319 3.810 1.00 25.00 C ATOM 324 OD1 ASP A 23 -6.771 -14.307 3.261 1.00 25.00 O ATOM 325 OD2 ASP A 23 -5.200 -13.400 4.499 1.00 25.00 O ATOM 0 H ASP A 23 -7.645 -9.691 3.428 1.00 25.00 H new ATOM 0 HA ASP A 23 -5.042 -10.846 3.533 1.00 25.00 H new ATOM 0 HB2 ASP A 23 -7.243 -11.622 4.627 1.00 25.00 H new ATOM 0 HB3 ASP A 23 -7.803 -12.094 3.034 1.00 25.00 H new ATOM 330 N ARG A 24 -6.033 -10.483 0.607 1.00 25.00 N ATOM 331 CA ARG A 24 -5.782 -10.795 -0.802 1.00 25.00 C ATOM 332 C ARG A 24 -4.360 -10.434 -1.209 1.00 25.00 C ATOM 333 O ARG A 24 -3.881 -10.877 -2.247 1.00 25.00 O ATOM 334 CB ARG A 24 -6.810 -10.088 -1.682 1.00 25.00 C ATOM 335 CG ARG A 24 -8.275 -10.441 -1.324 1.00 25.00 C ATOM 336 CD ARG A 24 -8.614 -11.940 -1.512 1.00 25.00 C ATOM 337 NE ARG A 24 -8.211 -12.802 -0.375 1.00 25.00 N ATOM 338 CZ ARG A 24 -8.599 -14.062 -0.188 1.00 25.00 C ATOM 339 NH1 ARG A 24 -9.419 -14.674 -1.010 1.00 25.00 N ATOM 340 NH2 ARG A 24 -8.159 -14.725 0.841 1.00 25.00 N ATOM 0 H ARG A 24 -6.488 -9.585 0.770 1.00 25.00 H new ATOM 0 HA ARG A 24 -5.887 -11.871 -0.941 1.00 25.00 H new ATOM 0 HB2 ARG A 24 -6.672 -9.010 -1.594 1.00 25.00 H new ATOM 0 HB3 ARG A 24 -6.626 -10.349 -2.724 1.00 25.00 H new ATOM 0 HG2 ARG A 24 -8.465 -10.161 -0.288 1.00 25.00 H new ATOM 0 HG3 ARG A 24 -8.945 -9.845 -1.943 1.00 25.00 H new ATOM 0 HD2 ARG A 24 -9.688 -12.041 -1.667 1.00 25.00 H new ATOM 0 HD3 ARG A 24 -8.126 -12.300 -2.417 1.00 25.00 H new ATOM 0 HE ARG A 24 -7.585 -12.397 0.321 1.00 25.00 H new ATOM 0 HH11 ARG A 24 -9.783 -14.183 -1.827 1.00 25.00 H new ATOM 0 HH12 ARG A 24 -9.693 -15.640 -0.832 1.00 25.00 H new ATOM 0 HH21 ARG A 24 -7.520 -14.279 1.500 1.00 25.00 H new ATOM 0 HH22 ARG A 24 -8.453 -15.690 0.989 1.00 25.00 H new ATOM 354 N GLY A 25 -3.665 -9.701 -0.355 1.00 25.00 N ATOM 355 CA GLY A 25 -2.265 -9.413 -0.588 1.00 25.00 C ATOM 356 C GLY A 25 -2.050 -8.162 -1.402 1.00 25.00 C ATOM 357 O GLY A 25 -2.990 -7.519 -1.868 1.00 25.00 O ATOM 0 H GLY A 25 -4.047 -9.298 0.500 1.00 25.00 H new ATOM 0 HA2 GLY A 25 -1.757 -9.308 0.370 1.00 25.00 H new ATOM 0 HA3 GLY A 25 -1.806 -10.258 -1.102 1.00 25.00 H new ATOM 361 N PHE A 26 -0.789 -7.788 -1.539 1.00 25.00 N ATOM 362 CA PHE A 26 -0.415 -6.547 -2.190 1.00 25.00 C ATOM 363 C PHE A 26 1.007 -6.657 -2.707 1.00 25.00 C ATOM 364 O PHE A 26 1.739 -7.581 -2.349 1.00 25.00 O ATOM 365 CB PHE A 26 -0.517 -5.408 -1.172 1.00 25.00 C ATOM 366 CG PHE A 26 0.271 -5.652 0.086 1.00 25.00 C ATOM 367 CD1 PHE A 26 1.652 -5.370 0.142 1.00 25.00 C ATOM 368 CD2 PHE A 26 -0.366 -6.170 1.231 1.00 25.00 C ATOM 369 CE1 PHE A 26 2.392 -5.615 1.326 1.00 25.00 C ATOM 370 CE2 PHE A 26 0.362 -6.416 2.416 1.00 25.00 C ATOM 371 CZ PHE A 26 1.742 -6.136 2.464 1.00 25.00 C ATOM 0 H PHE A 26 0.002 -8.336 -1.202 1.00 25.00 H new ATOM 0 HA PHE A 26 -1.081 -6.347 -3.030 1.00 25.00 H new ATOM 0 HB2 PHE A 26 -0.169 -4.485 -1.636 1.00 25.00 H new ATOM 0 HB3 PHE A 26 -1.565 -5.258 -0.911 1.00 25.00 H new ATOM 0 HD1 PHE A 26 2.150 -4.963 -0.726 1.00 25.00 H new ATOM 0 HD2 PHE A 26 -1.425 -6.382 1.202 1.00 25.00 H new ATOM 0 HE1 PHE A 26 3.451 -5.403 1.357 1.00 25.00 H new ATOM 0 HE2 PHE A 26 -0.139 -6.818 3.284 1.00 25.00 H new ATOM 0 HZ PHE A 26 2.301 -6.320 3.370 1.00 25.00 H new ATOM 381 N TYR A 27 1.401 -5.704 -3.533 1.00 25.00 N ATOM 382 CA TYR A 27 2.745 -5.663 -4.081 1.00 25.00 C ATOM 383 C TYR A 27 3.586 -4.653 -3.307 1.00 25.00 C ATOM 384 O TYR A 27 3.084 -3.648 -2.808 1.00 25.00 O ATOM 385 CB TYR A 27 2.684 -5.311 -5.566 1.00 25.00 C ATOM 386 CG TYR A 27 1.928 -6.348 -6.374 1.00 25.00 C ATOM 387 CD1 TYR A 27 2.516 -7.596 -6.676 1.00 25.00 C ATOM 388 CD2 TYR A 27 0.614 -6.101 -6.827 1.00 25.00 C ATOM 389 CE1 TYR A 27 1.802 -8.577 -7.420 1.00 25.00 C ATOM 390 CE2 TYR A 27 -0.094 -7.074 -7.575 1.00 25.00 C ATOM 391 CZ TYR A 27 0.502 -8.303 -7.860 1.00 25.00 C ATOM 392 OH TYR A 27 -0.197 -9.247 -8.569 1.00 25.00 O ATOM 0 H TYR A 27 0.801 -4.939 -3.842 1.00 25.00 H new ATOM 0 HA TYR A 27 3.214 -6.642 -3.982 1.00 25.00 H new ATOM 0 HB2 TYR A 27 2.205 -4.340 -5.687 1.00 25.00 H new ATOM 0 HB3 TYR A 27 3.697 -5.218 -5.957 1.00 25.00 H new ATOM 0 HD1 TYR A 27 3.520 -7.809 -6.338 1.00 25.00 H new ATOM 0 HD2 TYR A 27 0.142 -5.157 -6.600 1.00 25.00 H new ATOM 0 HE1 TYR A 27 2.261 -9.528 -7.644 1.00 25.00 H new ATOM 0 HE2 TYR A 27 -1.094 -6.865 -7.924 1.00 25.00 H new ATOM 0 HH TYR A 27 -1.083 -8.896 -8.796 1.00 25.00 H new ATOM 402 N PHE A 28 4.872 -4.943 -3.190 1.00 25.00 N ATOM 403 CA PHE A 28 5.795 -4.127 -2.408 1.00 25.00 C ATOM 404 C PHE A 28 6.965 -3.722 -3.297 1.00 25.00 C ATOM 405 O PHE A 28 6.962 -4.021 -4.489 1.00 25.00 O ATOM 406 CB PHE A 28 6.269 -4.910 -1.177 1.00 25.00 C ATOM 407 CG PHE A 28 6.613 -4.031 0.001 1.00 25.00 C ATOM 408 CD1 PHE A 28 5.587 -3.424 0.749 1.00 25.00 C ATOM 409 CD2 PHE A 28 7.954 -3.812 0.375 1.00 25.00 C ATOM 410 CE1 PHE A 28 5.890 -2.597 1.860 1.00 25.00 C ATOM 411 CE2 PHE A 28 8.269 -2.996 1.490 1.00 25.00 C ATOM 412 CZ PHE A 28 7.233 -2.385 2.232 1.00 25.00 C ATOM 0 H PHE A 28 5.308 -5.751 -3.634 1.00 25.00 H new ATOM 0 HA PHE A 28 5.297 -3.225 -2.053 1.00 25.00 H new ATOM 0 HB2 PHE A 28 5.490 -5.612 -0.881 1.00 25.00 H new ATOM 0 HB3 PHE A 28 7.144 -5.501 -1.447 1.00 25.00 H new ATOM 0 HD1 PHE A 28 4.556 -3.590 0.473 1.00 25.00 H new ATOM 0 HD2 PHE A 28 8.749 -4.271 -0.194 1.00 25.00 H new ATOM 0 HE1 PHE A 28 5.093 -2.130 2.420 1.00 25.00 H new ATOM 0 HE2 PHE A 28 9.300 -2.841 1.772 1.00 25.00 H new ATOM 0 HZ PHE A 28 7.469 -1.759 3.080 1.00 25.00 H new ATOM 422 N SER A 29 7.933 -3.005 -2.739 1.00 25.00 N ATOM 423 CA SER A 29 9.110 -2.584 -3.501 1.00 25.00 C ATOM 424 C SER A 29 9.762 -3.821 -4.120 1.00 25.00 C ATOM 425 O SER A 29 9.995 -4.818 -3.438 1.00 25.00 O ATOM 426 CB SER A 29 10.106 -1.856 -2.600 1.00 25.00 C ATOM 427 OG SER A 29 11.133 -1.265 -3.372 1.00 25.00 O ATOM 0 H SER A 29 7.930 -2.702 -1.765 1.00 25.00 H new ATOM 0 HA SER A 29 8.804 -1.893 -4.287 1.00 25.00 H new ATOM 0 HB2 SER A 29 9.590 -1.089 -2.023 1.00 25.00 H new ATOM 0 HB3 SER A 29 10.538 -2.556 -1.885 1.00 25.00 H new ATOM 0 HG SER A 29 11.762 -0.801 -2.780 1.00 25.00 H new ATOM 433 N ARG A 30 9.965 -3.779 -5.428 1.00 25.00 N ATOM 434 CA ARG A 30 10.387 -4.958 -6.183 1.00 25.00 C ATOM 435 C ARG A 30 11.904 -4.965 -6.396 1.00 25.00 C ATOM 436 O ARG A 30 12.475 -3.956 -6.808 1.00 25.00 O ATOM 437 CB ARG A 30 9.648 -4.955 -7.528 1.00 25.00 C ATOM 438 CG ARG A 30 9.323 -6.331 -8.101 1.00 25.00 C ATOM 439 CD ARG A 30 10.454 -6.860 -8.956 1.00 25.00 C ATOM 440 NE ARG A 30 10.099 -8.119 -9.627 1.00 25.00 N ATOM 441 CZ ARG A 30 10.953 -8.894 -10.286 1.00 25.00 C ATOM 442 NH1 ARG A 30 12.229 -8.604 -10.377 1.00 25.00 N ATOM 443 NH2 ARG A 30 10.515 -9.981 -10.862 1.00 25.00 N ATOM 0 H ARG A 30 9.845 -2.939 -5.994 1.00 25.00 H new ATOM 0 HA ARG A 30 10.140 -5.860 -5.623 1.00 25.00 H new ATOM 0 HB2 ARG A 30 8.717 -4.400 -7.410 1.00 25.00 H new ATOM 0 HB3 ARG A 30 10.253 -4.412 -8.254 1.00 25.00 H new ATOM 0 HG2 ARG A 30 9.126 -7.028 -7.286 1.00 25.00 H new ATOM 0 HG3 ARG A 30 8.412 -6.272 -8.697 1.00 25.00 H new ATOM 0 HD2 ARG A 30 10.721 -6.114 -9.704 1.00 25.00 H new ATOM 0 HD3 ARG A 30 11.335 -7.017 -8.334 1.00 25.00 H new ATOM 0 HE ARG A 30 9.125 -8.419 -9.583 1.00 25.00 H new ATOM 0 HH11 ARG A 30 12.593 -7.761 -9.934 1.00 25.00 H new ATOM 0 HH12 ARG A 30 12.857 -9.222 -10.891 1.00 25.00 H new ATOM 0 HH21 ARG A 30 9.527 -10.227 -10.803 1.00 25.00 H new ATOM 0 HH22 ARG A 30 11.161 -10.584 -11.371 1.00 25.00 H new ATOM 457 N PRO A 31 12.575 -6.101 -6.130 1.00 25.00 N ATOM 458 CA PRO A 31 14.027 -6.116 -6.348 1.00 25.00 C ATOM 459 C PRO A 31 14.426 -6.049 -7.824 1.00 25.00 C ATOM 460 O PRO A 31 13.673 -6.462 -8.718 1.00 25.00 O ATOM 461 CB PRO A 31 14.449 -7.452 -5.728 1.00 25.00 C ATOM 462 CG PRO A 31 13.259 -8.322 -5.901 1.00 25.00 C ATOM 463 CD PRO A 31 12.097 -7.402 -5.629 1.00 25.00 C ATOM 0 HA PRO A 31 14.510 -5.243 -5.909 1.00 25.00 H new ATOM 0 HB2 PRO A 31 15.323 -7.867 -6.231 1.00 25.00 H new ATOM 0 HB3 PRO A 31 14.711 -7.339 -4.676 1.00 25.00 H new ATOM 0 HG2 PRO A 31 13.212 -8.739 -6.907 1.00 25.00 H new ATOM 0 HG3 PRO A 31 13.274 -9.163 -5.207 1.00 25.00 H new ATOM 0 HD2 PRO A 31 11.195 -7.727 -6.148 1.00 25.00 H new ATOM 0 HD3 PRO A 31 11.856 -7.361 -4.567 1.00 25.00 H new ATOM 471 N ALA A 32 15.620 -5.530 -8.069 1.00 25.00 N ATOM 472 CA ALA A 32 16.153 -5.417 -9.421 1.00 25.00 C ATOM 473 C ALA A 32 16.501 -6.804 -9.981 1.00 25.00 C ATOM 474 O ALA A 32 16.539 -7.795 -9.257 1.00 25.00 O ATOM 475 CB ALA A 32 17.398 -4.513 -9.411 1.00 25.00 C ATOM 0 H ALA A 32 16.244 -5.177 -7.343 1.00 25.00 H new ATOM 0 HA ALA A 32 15.395 -4.972 -10.065 1.00 25.00 H new ATOM 0 HB1 ALA A 32 17.795 -4.430 -10.423 1.00 25.00 H new ATOM 0 HB2 ALA A 32 17.126 -3.523 -9.045 1.00 25.00 H new ATOM 0 HB3 ALA A 32 18.156 -4.945 -8.758 1.00 25.00 H new ATOM 481 N SER A 33 16.766 -6.859 -11.274 1.00 25.00 N ATOM 482 CA SER A 33 17.139 -8.083 -11.951 1.00 25.00 C ATOM 483 C SER A 33 18.127 -7.675 -13.028 1.00 25.00 C ATOM 484 O SER A 33 18.206 -6.496 -13.352 1.00 25.00 O ATOM 485 CB SER A 33 15.896 -8.699 -12.573 1.00 25.00 C ATOM 486 OG SER A 33 14.975 -9.076 -11.563 1.00 25.00 O ATOM 0 H SER A 33 16.727 -6.045 -11.888 1.00 25.00 H new ATOM 0 HA SER A 33 17.578 -8.818 -11.276 1.00 25.00 H new ATOM 0 HB2 SER A 33 15.429 -7.986 -13.252 1.00 25.00 H new ATOM 0 HB3 SER A 33 16.172 -9.571 -13.167 1.00 25.00 H new ATOM 0 HG SER A 33 14.452 -9.847 -11.868 1.00 25.00 H new ATOM 492 N ARG A 34 18.855 -8.628 -13.604 1.00 25.00 N ATOM 493 CA ARG A 34 19.801 -8.304 -14.686 1.00 25.00 C ATOM 494 C ARG A 34 19.067 -7.801 -15.925 1.00 25.00 C ATOM 495 O ARG A 34 19.624 -7.066 -16.723 1.00 25.00 O ATOM 496 CB ARG A 34 20.659 -9.516 -15.072 1.00 25.00 C ATOM 497 CG ARG A 34 21.648 -9.943 -13.987 1.00 25.00 C ATOM 498 CD ARG A 34 23.044 -10.239 -14.564 1.00 25.00 C ATOM 499 NE ARG A 34 23.053 -11.370 -15.517 1.00 25.00 N ATOM 500 CZ ARG A 34 23.254 -11.279 -16.830 1.00 25.00 C ATOM 501 NH1 ARG A 34 23.457 -10.136 -17.440 1.00 25.00 N ATOM 502 NH2 ARG A 34 23.254 -12.370 -17.547 1.00 25.00 N ATOM 0 H ARG A 34 18.816 -9.615 -13.351 1.00 25.00 H new ATOM 0 HA ARG A 34 20.453 -7.518 -14.305 1.00 25.00 H new ATOM 0 HB2 ARG A 34 20.003 -10.355 -15.303 1.00 25.00 H new ATOM 0 HB3 ARG A 34 21.211 -9.283 -15.983 1.00 25.00 H new ATOM 0 HG2 ARG A 34 21.725 -9.156 -13.237 1.00 25.00 H new ATOM 0 HG3 ARG A 34 21.269 -10.831 -13.480 1.00 25.00 H new ATOM 0 HD2 ARG A 34 23.419 -9.347 -15.065 1.00 25.00 H new ATOM 0 HD3 ARG A 34 23.730 -10.457 -13.745 1.00 25.00 H new ATOM 0 HE ARG A 34 22.891 -12.302 -15.135 1.00 25.00 H new ATOM 0 HH11 ARG A 34 23.465 -9.267 -16.906 1.00 25.00 H new ATOM 0 HH12 ARG A 34 23.607 -10.116 -18.449 1.00 25.00 H new ATOM 0 HH21 ARG A 34 23.102 -13.274 -17.100 1.00 25.00 H new ATOM 0 HH22 ARG A 34 23.406 -12.318 -18.554 1.00 25.00 H new ATOM 516 N VAL A 35 17.812 -8.193 -16.068 1.00 25.00 N ATOM 517 CA VAL A 35 16.979 -7.701 -17.159 1.00 25.00 C ATOM 518 C VAL A 35 16.287 -6.422 -16.694 1.00 25.00 C ATOM 519 O VAL A 35 15.941 -6.279 -15.517 1.00 25.00 O ATOM 520 CB VAL A 35 15.925 -8.758 -17.611 1.00 25.00 C ATOM 521 CG1 VAL A 35 16.629 -9.963 -18.247 1.00 25.00 C ATOM 522 CG2 VAL A 35 15.052 -9.236 -16.428 1.00 25.00 C ATOM 0 H VAL A 35 17.345 -8.851 -15.444 1.00 25.00 H new ATOM 0 HA VAL A 35 17.611 -7.500 -18.024 1.00 25.00 H new ATOM 0 HB VAL A 35 15.273 -8.281 -18.343 1.00 25.00 H new ATOM 0 HG11 VAL A 35 15.885 -10.696 -18.559 1.00 25.00 H new ATOM 0 HG12 VAL A 35 17.201 -9.634 -19.115 1.00 25.00 H new ATOM 0 HG13 VAL A 35 17.302 -10.417 -17.520 1.00 25.00 H new ATOM 0 HG21 VAL A 35 14.330 -9.972 -16.783 1.00 25.00 H new ATOM 0 HG22 VAL A 35 15.687 -9.689 -15.667 1.00 25.00 H new ATOM 0 HG23 VAL A 35 14.522 -8.385 -15.999 1.00 25.00 H new ATOM 532 N SER A 36 16.094 -5.489 -17.616 1.00 25.00 N ATOM 533 CA SER A 36 15.481 -4.196 -17.308 1.00 25.00 C ATOM 534 C SER A 36 13.967 -4.288 -17.104 1.00 25.00 C ATOM 535 O SER A 36 13.191 -3.821 -17.929 1.00 25.00 O ATOM 536 CB SER A 36 15.783 -3.215 -18.442 1.00 25.00 C ATOM 537 OG SER A 36 17.177 -3.185 -18.691 1.00 25.00 O ATOM 0 H SER A 36 16.355 -5.602 -18.595 1.00 25.00 H new ATOM 0 HA SER A 36 15.909 -3.849 -16.368 1.00 25.00 H new ATOM 0 HB2 SER A 36 15.249 -3.513 -19.345 1.00 25.00 H new ATOM 0 HB3 SER A 36 15.430 -2.218 -18.177 1.00 25.00 H new ATOM 0 HG SER A 36 17.366 -2.557 -19.419 1.00 25.00 H new ATOM 543 N ARG A 37 13.559 -4.905 -16.002 1.00 25.00 N ATOM 544 CA ARG A 37 12.138 -5.077 -15.657 1.00 25.00 C ATOM 545 C ARG A 37 11.873 -4.542 -14.251 1.00 25.00 C ATOM 546 O ARG A 37 11.047 -5.069 -13.515 1.00 25.00 O ATOM 547 CB ARG A 37 11.745 -6.562 -15.753 1.00 25.00 C ATOM 548 CG ARG A 37 11.868 -7.165 -17.163 1.00 25.00 C ATOM 549 CD ARG A 37 10.812 -6.608 -18.128 1.00 25.00 C ATOM 550 NE ARG A 37 11.427 -6.023 -19.335 1.00 25.00 N ATOM 551 CZ ARG A 37 10.763 -5.588 -20.402 1.00 25.00 C ATOM 552 NH1 ARG A 37 9.456 -5.649 -20.489 1.00 25.00 N ATOM 553 NH2 ARG A 37 11.429 -5.085 -21.404 1.00 25.00 N ATOM 0 H ARG A 37 14.199 -5.304 -15.316 1.00 25.00 H new ATOM 0 HA ARG A 37 11.530 -4.513 -16.364 1.00 25.00 H new ATOM 0 HB2 ARG A 37 12.372 -7.136 -15.070 1.00 25.00 H new ATOM 0 HB3 ARG A 37 10.716 -6.675 -15.412 1.00 25.00 H new ATOM 0 HG2 ARG A 37 12.863 -6.960 -17.558 1.00 25.00 H new ATOM 0 HG3 ARG A 37 11.767 -8.249 -17.103 1.00 25.00 H new ATOM 0 HD2 ARG A 37 10.128 -7.406 -18.419 1.00 25.00 H new ATOM 0 HD3 ARG A 37 10.218 -5.849 -17.618 1.00 25.00 H new ATOM 0 HE ARG A 37 12.444 -5.946 -19.352 1.00 25.00 H new ATOM 0 HH11 ARG A 37 8.911 -6.041 -19.721 1.00 25.00 H new ATOM 0 HH12 ARG A 37 8.984 -5.304 -21.325 1.00 25.00 H new ATOM 0 HH21 ARG A 37 12.447 -5.029 -21.363 1.00 25.00 H new ATOM 0 HH22 ARG A 37 10.932 -4.748 -22.229 1.00 25.00 H new ATOM 567 N ARG A 38 12.608 -3.503 -13.879 1.00 25.00 N ATOM 568 CA ARG A 38 12.424 -2.842 -12.582 1.00 25.00 C ATOM 569 C ARG A 38 11.112 -2.059 -12.632 1.00 25.00 C ATOM 570 O ARG A 38 10.647 -1.711 -13.714 1.00 25.00 O ATOM 571 CB ARG A 38 13.603 -1.902 -12.278 1.00 25.00 C ATOM 572 CG ARG A 38 13.766 -0.739 -13.268 1.00 25.00 C ATOM 573 CD ARG A 38 14.982 0.108 -12.915 1.00 25.00 C ATOM 574 NE ARG A 38 15.153 1.233 -13.855 1.00 25.00 N ATOM 575 CZ ARG A 38 16.141 2.124 -13.817 1.00 25.00 C ATOM 576 NH1 ARG A 38 17.083 2.088 -12.906 1.00 25.00 N ATOM 577 NH2 ARG A 38 16.181 3.068 -14.717 1.00 25.00 N ATOM 0 H ARG A 38 13.342 -3.094 -14.456 1.00 25.00 H new ATOM 0 HA ARG A 38 12.387 -3.586 -11.787 1.00 25.00 H new ATOM 0 HB2 ARG A 38 13.475 -1.493 -11.276 1.00 25.00 H new ATOM 0 HB3 ARG A 38 14.523 -2.486 -12.269 1.00 25.00 H new ATOM 0 HG2 ARG A 38 13.871 -1.130 -14.280 1.00 25.00 H new ATOM 0 HG3 ARG A 38 12.870 -0.119 -13.257 1.00 25.00 H new ATOM 0 HD2 ARG A 38 14.875 0.494 -11.901 1.00 25.00 H new ATOM 0 HD3 ARG A 38 15.876 -0.515 -12.927 1.00 25.00 H new ATOM 0 HE ARG A 38 14.457 1.336 -14.594 1.00 25.00 H new ATOM 0 HH11 ARG A 38 17.075 1.359 -12.193 1.00 25.00 H new ATOM 0 HH12 ARG A 38 17.824 2.789 -12.910 1.00 25.00 H new ATOM 0 HH21 ARG A 38 15.461 3.116 -15.438 1.00 25.00 H new ATOM 0 HH22 ARG A 38 16.932 3.758 -14.700 1.00 25.00 H new ATOM 591 N SER A 39 10.537 -1.762 -11.476 1.00 25.00 N ATOM 592 CA SER A 39 9.285 -1.012 -11.403 1.00 25.00 C ATOM 593 C SER A 39 9.295 -0.153 -10.149 1.00 25.00 C ATOM 594 O SER A 39 10.057 -0.417 -9.220 1.00 25.00 O ATOM 595 CB SER A 39 8.100 -1.980 -11.362 1.00 25.00 C ATOM 596 OG SER A 39 8.212 -2.858 -10.253 1.00 25.00 O ATOM 0 H SER A 39 10.918 -2.030 -10.568 1.00 25.00 H new ATOM 0 HA SER A 39 9.187 -0.375 -12.282 1.00 25.00 H new ATOM 0 HB2 SER A 39 7.167 -1.420 -11.297 1.00 25.00 H new ATOM 0 HB3 SER A 39 8.061 -2.556 -12.287 1.00 25.00 H new ATOM 0 HG SER A 39 7.446 -3.469 -10.241 1.00 25.00 H new ATOM 602 N ARG A 40 8.462 0.883 -10.134 1.00 25.00 N ATOM 603 CA ARG A 40 8.347 1.772 -8.975 1.00 25.00 C ATOM 604 C ARG A 40 7.721 0.989 -7.832 1.00 25.00 C ATOM 605 O ARG A 40 6.798 0.203 -8.044 1.00 25.00 O ATOM 606 CB ARG A 40 7.464 2.974 -9.318 1.00 25.00 C ATOM 607 CG ARG A 40 7.502 4.101 -8.289 1.00 25.00 C ATOM 608 CD ARG A 40 6.106 4.541 -7.911 1.00 25.00 C ATOM 609 NE ARG A 40 5.418 5.250 -9.003 1.00 25.00 N ATOM 610 CZ ARG A 40 4.102 5.439 -9.083 1.00 25.00 C ATOM 611 NH1 ARG A 40 3.268 4.974 -8.187 1.00 25.00 N ATOM 612 NH2 ARG A 40 3.618 6.105 -10.093 1.00 25.00 N ATOM 0 H ARG A 40 7.853 1.131 -10.913 1.00 25.00 H new ATOM 0 HA ARG A 40 9.334 2.137 -8.690 1.00 25.00 H new ATOM 0 HB2 ARG A 40 7.772 3.371 -10.285 1.00 25.00 H new ATOM 0 HB3 ARG A 40 6.434 2.633 -9.427 1.00 25.00 H new ATOM 0 HG2 ARG A 40 8.035 3.767 -7.399 1.00 25.00 H new ATOM 0 HG3 ARG A 40 8.057 4.948 -8.693 1.00 25.00 H new ATOM 0 HD2 ARG A 40 5.520 3.668 -7.624 1.00 25.00 H new ATOM 0 HD3 ARG A 40 6.158 5.191 -7.038 1.00 25.00 H new ATOM 0 HE ARG A 40 5.994 5.625 -9.757 1.00 25.00 H new ATOM 0 HH11 ARG A 40 3.620 4.444 -7.389 1.00 25.00 H new ATOM 0 HH12 ARG A 40 2.267 5.142 -8.287 1.00 25.00 H new ATOM 0 HH21 ARG A 40 4.245 6.473 -10.808 1.00 25.00 H new ATOM 0 HH22 ARG A 40 2.612 6.258 -10.168 1.00 25.00 H new ATOM 626 N GLY A 41 8.206 1.213 -6.624 1.00 25.00 N ATOM 627 CA GLY A 41 7.697 0.508 -5.464 1.00 25.00 C ATOM 628 C GLY A 41 6.825 1.380 -4.592 1.00 25.00 C ATOM 629 O GLY A 41 6.891 2.607 -4.639 1.00 25.00 O ATOM 0 H GLY A 41 8.952 1.878 -6.422 1.00 25.00 H new ATOM 0 HA2 GLY A 41 7.124 -0.359 -5.793 1.00 25.00 H new ATOM 0 HA3 GLY A 41 8.534 0.133 -4.875 1.00 25.00 H new ATOM 633 N ILE A 42 6.031 0.744 -3.749 1.00 25.00 N ATOM 634 CA ILE A 42 5.161 1.459 -2.814 1.00 25.00 C ATOM 635 C ILE A 42 6.008 2.241 -1.787 1.00 25.00 C ATOM 636 O ILE A 42 5.644 3.329 -1.364 1.00 25.00 O ATOM 637 CB ILE A 42 4.164 0.469 -2.119 1.00 25.00 C ATOM 638 CG1 ILE A 42 3.086 1.235 -1.336 1.00 25.00 C ATOM 639 CG2 ILE A 42 4.901 -0.513 -1.189 1.00 25.00 C ATOM 640 CD1 ILE A 42 2.021 1.901 -2.200 1.00 25.00 C ATOM 0 H ILE A 42 5.966 -0.272 -3.688 1.00 25.00 H new ATOM 0 HA ILE A 42 4.563 2.183 -3.368 1.00 25.00 H new ATOM 0 HB ILE A 42 3.679 -0.109 -2.906 1.00 25.00 H new ATOM 0 HG12 ILE A 42 2.597 0.545 -0.648 1.00 25.00 H new ATOM 0 HG13 ILE A 42 3.572 1.999 -0.729 1.00 25.00 H new ATOM 0 HG21 ILE A 42 4.179 -1.185 -0.724 1.00 25.00 H new ATOM 0 HG22 ILE A 42 5.617 -1.095 -1.769 1.00 25.00 H new ATOM 0 HG23 ILE A 42 5.429 0.045 -0.415 1.00 25.00 H new ATOM 0 HD11 ILE A 42 1.304 2.417 -1.561 1.00 25.00 H new ATOM 0 HD12 ILE A 42 2.493 2.620 -2.870 1.00 25.00 H new ATOM 0 HD13 ILE A 42 1.503 1.143 -2.788 1.00 25.00 H new ATOM 652 N VAL A 43 7.189 1.737 -1.467 1.00 25.00 N ATOM 653 CA VAL A 43 8.105 2.451 -0.571 1.00 25.00 C ATOM 654 C VAL A 43 8.544 3.756 -1.237 1.00 25.00 C ATOM 655 O VAL A 43 8.617 4.803 -0.608 1.00 25.00 O ATOM 656 CB VAL A 43 9.347 1.567 -0.251 1.00 25.00 C ATOM 657 CG1 VAL A 43 10.395 2.341 0.559 1.00 25.00 C ATOM 658 CG2 VAL A 43 8.917 0.328 0.525 1.00 25.00 C ATOM 0 H VAL A 43 7.541 0.842 -1.808 1.00 25.00 H new ATOM 0 HA VAL A 43 7.593 2.675 0.365 1.00 25.00 H new ATOM 0 HB VAL A 43 9.798 1.272 -1.198 1.00 25.00 H new ATOM 0 HG11 VAL A 43 11.247 1.693 0.764 1.00 25.00 H new ATOM 0 HG12 VAL A 43 10.727 3.209 -0.011 1.00 25.00 H new ATOM 0 HG13 VAL A 43 9.956 2.672 1.500 1.00 25.00 H new ATOM 0 HG21 VAL A 43 9.791 -0.285 0.745 1.00 25.00 H new ATOM 0 HG22 VAL A 43 8.441 0.630 1.458 1.00 25.00 H new ATOM 0 HG23 VAL A 43 8.211 -0.248 -0.072 1.00 25.00 H new ATOM 668 N GLU A 44 8.796 3.698 -2.531 1.00 25.00 N ATOM 669 CA GLU A 44 9.257 4.852 -3.284 1.00 25.00 C ATOM 670 C GLU A 44 8.268 6.013 -3.342 1.00 25.00 C ATOM 671 O GLU A 44 8.653 7.169 -3.497 1.00 25.00 O ATOM 672 CB GLU A 44 9.550 4.402 -4.692 1.00 25.00 C ATOM 673 CG GLU A 44 10.693 5.109 -5.285 1.00 25.00 C ATOM 674 CD GLU A 44 10.589 5.086 -6.796 1.00 25.00 C ATOM 675 OE1 GLU A 44 10.276 6.139 -7.396 1.00 25.00 O ATOM 676 OE2 GLU A 44 10.649 3.971 -7.368 1.00 25.00 O ATOM 0 H GLU A 44 8.688 2.852 -3.090 1.00 25.00 H new ATOM 0 HA GLU A 44 10.137 5.231 -2.765 1.00 25.00 H new ATOM 0 HB2 GLU A 44 9.750 3.331 -4.693 1.00 25.00 H new ATOM 0 HB3 GLU A 44 8.668 4.562 -5.312 1.00 25.00 H new ATOM 0 HG2 GLU A 44 10.718 6.139 -4.930 1.00 25.00 H new ATOM 0 HG3 GLU A 44 11.625 4.640 -4.969 1.00 25.00 H new ATOM 683 N GLU A 45 6.987 5.708 -3.232 1.00 25.00 N ATOM 684 CA GLU A 45 5.967 6.751 -3.298 1.00 25.00 C ATOM 685 C GLU A 45 5.432 7.139 -1.929 1.00 25.00 C ATOM 686 O GLU A 45 4.950 8.235 -1.781 1.00 25.00 O ATOM 687 CB GLU A 45 4.820 6.327 -4.216 1.00 25.00 C ATOM 688 CG GLU A 45 4.057 5.113 -3.747 1.00 25.00 C ATOM 689 CD GLU A 45 3.573 4.280 -4.881 1.00 25.00 C ATOM 690 OE1 GLU A 45 2.487 4.329 -5.298 1.00 25.00 O ATOM 691 OE2 GLU A 45 4.488 3.557 -5.423 1.00 25.00 O ATOM 0 H GLU A 45 6.627 4.763 -3.098 1.00 25.00 H new ATOM 0 HA GLU A 45 6.452 7.635 -3.713 1.00 25.00 H new ATOM 0 HB2 GLU A 45 4.125 7.161 -4.316 1.00 25.00 H new ATOM 0 HB3 GLU A 45 5.222 6.126 -5.209 1.00 25.00 H new ATOM 0 HG2 GLU A 45 4.697 4.510 -3.103 1.00 25.00 H new ATOM 0 HG3 GLU A 45 3.207 5.431 -3.143 1.00 25.00 H new ATOM 698 N CYS A 46 5.506 6.245 -0.948 1.00 25.00 N ATOM 699 CA CYS A 46 4.948 6.529 0.378 1.00 25.00 C ATOM 700 C CYS A 46 5.988 6.817 1.459 1.00 25.00 C ATOM 701 O CYS A 46 5.669 7.457 2.439 1.00 25.00 O ATOM 702 CB CYS A 46 4.082 5.360 0.837 1.00 25.00 C ATOM 703 SG CYS A 46 2.626 5.045 -0.210 1.00 25.00 S ATOM 0 H CYS A 46 5.941 5.327 -1.040 1.00 25.00 H new ATOM 0 HA CYS A 46 4.364 7.441 0.255 1.00 25.00 H new ATOM 0 HB2 CYS A 46 4.695 4.459 0.866 1.00 25.00 H new ATOM 0 HB3 CYS A 46 3.747 5.550 1.857 1.00 25.00 H new ATOM 708 N CYS A 47 7.214 6.340 1.299 1.00 25.00 N ATOM 709 CA CYS A 47 8.262 6.572 2.302 1.00 25.00 C ATOM 710 C CYS A 47 9.247 7.640 1.824 1.00 25.00 C ATOM 711 O CYS A 47 9.580 8.554 2.559 1.00 25.00 O ATOM 712 CB CYS A 47 9.004 5.267 2.602 1.00 25.00 C ATOM 713 SG CYS A 47 10.240 5.395 3.938 1.00 25.00 S ATOM 0 H CYS A 47 7.514 5.793 0.492 1.00 25.00 H new ATOM 0 HA CYS A 47 7.787 6.929 3.216 1.00 25.00 H new ATOM 0 HB2 CYS A 47 8.275 4.502 2.869 1.00 25.00 H new ATOM 0 HB3 CYS A 47 9.502 4.929 1.693 1.00 25.00 H new ATOM 718 N PHE A 48 9.693 7.533 0.576 1.00 25.00 N ATOM 719 CA PHE A 48 10.601 8.542 0.013 1.00 25.00 C ATOM 720 C PHE A 48 9.834 9.839 -0.260 1.00 25.00 C ATOM 721 O PHE A 48 10.378 10.932 -0.155 1.00 25.00 O ATOM 722 CB PHE A 48 11.208 8.052 -1.302 1.00 25.00 C ATOM 723 CG PHE A 48 12.298 7.030 -1.134 1.00 25.00 C ATOM 724 CD1 PHE A 48 13.646 7.431 -1.107 1.00 25.00 C ATOM 725 CD2 PHE A 48 11.995 5.660 -1.040 1.00 25.00 C ATOM 726 CE1 PHE A 48 14.684 6.475 -0.996 1.00 25.00 C ATOM 727 CE2 PHE A 48 13.021 4.697 -0.944 1.00 25.00 C ATOM 728 CZ PHE A 48 14.368 5.105 -0.919 1.00 25.00 C ATOM 0 H PHE A 48 9.449 6.774 -0.060 1.00 25.00 H new ATOM 0 HA PHE A 48 11.397 8.719 0.736 1.00 25.00 H new ATOM 0 HB2 PHE A 48 10.416 7.625 -1.918 1.00 25.00 H new ATOM 0 HB3 PHE A 48 11.608 8.908 -1.846 1.00 25.00 H new ATOM 0 HD1 PHE A 48 13.892 8.481 -1.172 1.00 25.00 H new ATOM 0 HD2 PHE A 48 10.963 5.341 -1.041 1.00 25.00 H new ATOM 0 HE1 PHE A 48 15.715 6.795 -0.970 1.00 25.00 H new ATOM 0 HE2 PHE A 48 12.773 3.647 -0.890 1.00 25.00 H new ATOM 0 HZ PHE A 48 15.156 4.370 -0.841 1.00 25.00 H new ATOM 738 N ARG A 49 8.568 9.693 -0.630 1.00 25.00 N ATOM 739 CA ARG A 49 7.668 10.830 -0.871 1.00 25.00 C ATOM 740 C ARG A 49 6.353 10.525 -0.173 1.00 25.00 C ATOM 741 O ARG A 49 6.242 9.493 0.454 1.00 25.00 O ATOM 742 CB ARG A 49 7.452 11.026 -2.374 1.00 25.00 C ATOM 743 CG ARG A 49 8.680 11.584 -3.080 1.00 25.00 C ATOM 744 CD ARG A 49 8.407 11.829 -4.548 1.00 25.00 C ATOM 745 NE ARG A 49 8.330 10.572 -5.308 1.00 25.00 N ATOM 746 CZ ARG A 49 7.955 10.469 -6.577 1.00 25.00 C ATOM 747 NH1 ARG A 49 7.572 11.511 -7.279 1.00 25.00 N ATOM 748 NH2 ARG A 49 7.974 9.300 -7.152 1.00 25.00 N ATOM 0 H ARG A 49 8.129 8.784 -0.774 1.00 25.00 H new ATOM 0 HA ARG A 49 8.098 11.752 -0.480 1.00 25.00 H new ATOM 0 HB2 ARG A 49 7.182 10.071 -2.825 1.00 25.00 H new ATOM 0 HB3 ARG A 49 6.611 11.701 -2.530 1.00 25.00 H new ATOM 0 HG2 ARG A 49 8.983 12.516 -2.604 1.00 25.00 H new ATOM 0 HG3 ARG A 49 9.511 10.887 -2.974 1.00 25.00 H new ATOM 0 HD2 ARG A 49 7.471 12.377 -4.657 1.00 25.00 H new ATOM 0 HD3 ARG A 49 9.195 12.457 -4.964 1.00 25.00 H new ATOM 0 HE ARG A 49 8.585 9.712 -4.822 1.00 25.00 H new ATOM 0 HH11 ARG A 49 7.556 12.437 -6.851 1.00 25.00 H new ATOM 0 HH12 ARG A 49 7.290 11.395 -8.252 1.00 25.00 H new ATOM 0 HH21 ARG A 49 8.274 8.478 -6.627 1.00 25.00 H new ATOM 0 HH22 ARG A 49 7.688 9.206 -8.127 1.00 25.00 H new ATOM 762 N SER A 50 5.371 11.407 -0.281 1.00 25.00 N ATOM 763 CA SER A 50 4.038 11.154 0.273 1.00 25.00 C ATOM 764 C SER A 50 3.151 10.532 -0.814 1.00 25.00 C ATOM 765 O SER A 50 3.388 10.739 -2.009 1.00 25.00 O ATOM 766 CB SER A 50 3.432 12.469 0.765 1.00 25.00 C ATOM 767 OG SER A 50 3.532 13.474 -0.230 1.00 25.00 O ATOM 0 H SER A 50 5.467 12.309 -0.748 1.00 25.00 H new ATOM 0 HA SER A 50 4.109 10.464 1.114 1.00 25.00 H new ATOM 0 HB2 SER A 50 2.386 12.316 1.029 1.00 25.00 H new ATOM 0 HB3 SER A 50 3.945 12.795 1.670 1.00 25.00 H new ATOM 0 HG SER A 50 3.137 14.306 0.105 1.00 25.00 H new ATOM 773 N CYS A 51 2.136 9.777 -0.402 1.00 25.00 N ATOM 774 CA CYS A 51 1.237 9.095 -1.333 1.00 25.00 C ATOM 775 C CYS A 51 -0.207 9.192 -0.845 1.00 25.00 C ATOM 776 O CYS A 51 -0.452 9.536 0.308 1.00 25.00 O ATOM 777 CB CYS A 51 1.636 7.622 -1.457 1.00 25.00 C ATOM 778 SG CYS A 51 1.448 6.671 0.085 1.00 25.00 S ATOM 0 H CYS A 51 1.913 9.620 0.581 1.00 25.00 H new ATOM 0 HA CYS A 51 1.315 9.577 -2.308 1.00 25.00 H new ATOM 0 HB2 CYS A 51 1.031 7.157 -2.235 1.00 25.00 H new ATOM 0 HB3 CYS A 51 2.674 7.564 -1.783 1.00 25.00 H new ATOM 783 N ASP A 52 -1.146 8.895 -1.733 1.00 25.00 N ATOM 784 CA ASP A 52 -2.576 8.981 -1.428 1.00 25.00 C ATOM 785 C ASP A 52 -3.189 7.597 -1.256 1.00 25.00 C ATOM 786 O ASP A 52 -2.686 6.618 -1.798 1.00 25.00 O ATOM 787 CB ASP A 52 -3.304 9.682 -2.574 1.00 25.00 C ATOM 788 CG ASP A 52 -2.860 11.114 -2.752 1.00 25.00 C ATOM 789 OD1 ASP A 52 -2.552 11.497 -3.899 1.00 25.00 O ATOM 790 OD2 ASP A 52 -2.855 11.876 -1.762 1.00 25.00 O ATOM 0 H ASP A 52 -0.943 8.588 -2.684 1.00 25.00 H new ATOM 0 HA ASP A 52 -2.683 9.540 -0.498 1.00 25.00 H new ATOM 0 HB2 ASP A 52 -3.130 9.134 -3.500 1.00 25.00 H new ATOM 0 HB3 ASP A 52 -4.377 9.659 -2.386 1.00 25.00 H new ATOM 795 N LEU A 53 -4.317 7.532 -0.560 1.00 25.00 N ATOM 796 CA LEU A 53 -5.038 6.272 -0.343 1.00 25.00 C ATOM 797 C LEU A 53 -5.461 5.601 -1.652 1.00 25.00 C ATOM 798 O LEU A 53 -5.276 4.404 -1.827 1.00 25.00 O ATOM 799 CB LEU A 53 -6.289 6.546 0.506 1.00 25.00 C ATOM 800 CG LEU A 53 -7.167 5.326 0.844 1.00 25.00 C ATOM 801 CD1 LEU A 53 -6.413 4.308 1.690 1.00 25.00 C ATOM 802 CD2 LEU A 53 -8.415 5.791 1.588 1.00 25.00 C ATOM 0 H LEU A 53 -4.761 8.343 -0.130 1.00 25.00 H new ATOM 0 HA LEU A 53 -4.357 5.592 0.169 1.00 25.00 H new ATOM 0 HB2 LEU A 53 -5.973 7.009 1.441 1.00 25.00 H new ATOM 0 HB3 LEU A 53 -6.905 7.276 -0.019 1.00 25.00 H new ATOM 0 HG LEU A 53 -7.447 4.840 -0.091 1.00 25.00 H new ATOM 0 HD11 LEU A 53 -7.065 3.462 1.908 1.00 25.00 H new ATOM 0 HD12 LEU A 53 -5.536 3.959 1.144 1.00 25.00 H new ATOM 0 HD13 LEU A 53 -6.098 4.773 2.624 1.00 25.00 H new ATOM 0 HD21 LEU A 53 -9.038 4.929 1.828 1.00 25.00 H new ATOM 0 HD22 LEU A 53 -8.123 6.295 2.509 1.00 25.00 H new ATOM 0 HD23 LEU A 53 -8.978 6.481 0.959 1.00 25.00 H new ATOM 814 N ALA A 54 -6.012 6.379 -2.576 1.00 25.00 N ATOM 815 CA ALA A 54 -6.471 5.839 -3.858 1.00 25.00 C ATOM 816 C ALA A 54 -5.310 5.235 -4.647 1.00 25.00 C ATOM 817 O ALA A 54 -5.457 4.211 -5.292 1.00 25.00 O ATOM 818 CB ALA A 54 -7.151 6.945 -4.675 1.00 25.00 C ATOM 0 H ALA A 54 -6.153 7.383 -2.466 1.00 25.00 H new ATOM 0 HA ALA A 54 -7.191 5.045 -3.659 1.00 25.00 H new ATOM 0 HB1 ALA A 54 -7.490 6.538 -5.627 1.00 25.00 H new ATOM 0 HB2 ALA A 54 -8.006 7.333 -4.121 1.00 25.00 H new ATOM 0 HB3 ALA A 54 -6.441 7.751 -4.858 1.00 25.00 H new ATOM 824 N LEU A 55 -4.148 5.864 -4.561 1.00 25.00 N ATOM 825 CA LEU A 55 -2.956 5.354 -5.217 1.00 25.00 C ATOM 826 C LEU A 55 -2.522 4.062 -4.531 1.00 25.00 C ATOM 827 O LEU A 55 -2.209 3.075 -5.176 1.00 25.00 O ATOM 828 CB LEU A 55 -1.845 6.405 -5.126 1.00 25.00 C ATOM 829 CG LEU A 55 -0.416 5.894 -5.330 1.00 25.00 C ATOM 830 CD1 LEU A 55 -0.243 5.224 -6.686 1.00 25.00 C ATOM 831 CD2 LEU A 55 0.557 7.046 -5.169 1.00 25.00 C ATOM 0 H LEU A 55 -4.006 6.730 -4.042 1.00 25.00 H new ATOM 0 HA LEU A 55 -3.163 5.146 -6.267 1.00 25.00 H new ATOM 0 HB2 LEU A 55 -2.042 7.178 -5.869 1.00 25.00 H new ATOM 0 HB3 LEU A 55 -1.903 6.881 -4.147 1.00 25.00 H new ATOM 0 HG LEU A 55 -0.210 5.136 -4.574 1.00 25.00 H new ATOM 0 HD11 LEU A 55 0.784 4.876 -6.791 1.00 25.00 H new ATOM 0 HD12 LEU A 55 -0.923 4.376 -6.762 1.00 25.00 H new ATOM 0 HD13 LEU A 55 -0.466 5.940 -7.477 1.00 25.00 H new ATOM 0 HD21 LEU A 55 1.575 6.685 -5.314 1.00 25.00 H new ATOM 0 HD22 LEU A 55 0.336 7.815 -5.909 1.00 25.00 H new ATOM 0 HD23 LEU A 55 0.460 7.467 -4.168 1.00 25.00 H new ATOM 843 N LEU A 56 -2.516 4.066 -3.212 1.00 25.00 N ATOM 844 CA LEU A 56 -2.078 2.900 -2.463 1.00 25.00 C ATOM 845 C LEU A 56 -2.956 1.684 -2.776 1.00 25.00 C ATOM 846 O LEU A 56 -2.472 0.561 -2.867 1.00 25.00 O ATOM 847 CB LEU A 56 -2.091 3.230 -0.969 1.00 25.00 C ATOM 848 CG LEU A 56 -1.204 2.312 -0.122 1.00 25.00 C ATOM 849 CD1 LEU A 56 -0.563 3.115 0.994 1.00 25.00 C ATOM 850 CD2 LEU A 56 -1.978 1.155 0.472 1.00 25.00 C ATOM 0 H LEU A 56 -2.807 4.857 -2.638 1.00 25.00 H new ATOM 0 HA LEU A 56 -1.061 2.642 -2.759 1.00 25.00 H new ATOM 0 HB2 LEU A 56 -1.765 4.261 -0.832 1.00 25.00 H new ATOM 0 HB3 LEU A 56 -3.116 3.168 -0.602 1.00 25.00 H new ATOM 0 HG LEU A 56 -0.441 1.896 -0.779 1.00 25.00 H new ATOM 0 HD11 LEU A 56 0.068 2.461 1.596 1.00 25.00 H new ATOM 0 HD12 LEU A 56 0.045 3.912 0.566 1.00 25.00 H new ATOM 0 HD13 LEU A 56 -1.340 3.549 1.623 1.00 25.00 H new ATOM 0 HD21 LEU A 56 -1.306 0.533 1.064 1.00 25.00 H new ATOM 0 HD22 LEU A 56 -2.773 1.539 1.111 1.00 25.00 H new ATOM 0 HD23 LEU A 56 -2.413 0.558 -0.330 1.00 25.00 H new ATOM 862 N GLU A 57 -4.233 1.934 -3.018 1.00 25.00 N ATOM 863 CA GLU A 57 -5.186 0.885 -3.368 1.00 25.00 C ATOM 864 C GLU A 57 -4.850 0.167 -4.684 1.00 25.00 C ATOM 865 O GLU A 57 -5.229 -0.982 -4.880 1.00 25.00 O ATOM 866 CB GLU A 57 -6.584 1.505 -3.449 1.00 25.00 C ATOM 867 CG GLU A 57 -7.722 0.498 -3.407 1.00 25.00 C ATOM 868 CD GLU A 57 -9.068 1.159 -3.298 1.00 25.00 C ATOM 869 OE1 GLU A 57 -9.274 2.309 -3.585 1.00 25.00 O ATOM 870 OE2 GLU A 57 -9.991 0.369 -2.847 1.00 25.00 O ATOM 0 H GLU A 57 -4.641 2.868 -2.978 1.00 25.00 H new ATOM 0 HA GLU A 57 -5.138 0.123 -2.590 1.00 25.00 H new ATOM 0 HB2 GLU A 57 -6.705 2.206 -2.623 1.00 25.00 H new ATOM 0 HB3 GLU A 57 -6.659 2.082 -4.371 1.00 25.00 H new ATOM 0 HG2 GLU A 57 -7.694 -0.116 -4.307 1.00 25.00 H new ATOM 0 HG3 GLU A 57 -7.580 -0.172 -2.559 1.00 25.00 H new ATOM 878 N THR A 58 -4.124 0.817 -5.582 1.00 25.00 N ATOM 879 CA THR A 58 -3.782 0.192 -6.862 1.00 25.00 C ATOM 880 C THR A 58 -2.660 -0.834 -6.707 1.00 25.00 C ATOM 881 O THR A 58 -2.399 -1.613 -7.612 1.00 25.00 O ATOM 882 CB THR A 58 -3.402 1.227 -7.949 1.00 25.00 C ATOM 883 OG1 THR A 58 -2.121 1.798 -7.666 1.00 25.00 O ATOM 884 CG2 THR A 58 -4.436 2.350 -8.007 1.00 25.00 C ATOM 0 H THR A 58 -3.763 1.763 -5.456 1.00 25.00 H new ATOM 0 HA THR A 58 -4.685 -0.321 -7.193 1.00 25.00 H new ATOM 0 HB THR A 58 -3.372 0.709 -8.908 1.00 25.00 H new ATOM 0 HG1 THR A 58 -2.144 2.234 -6.788 1.00 25.00 H new ATOM 0 HG21 THR A 58 -4.151 3.067 -8.777 1.00 25.00 H new ATOM 0 HG22 THR A 58 -5.414 1.932 -8.244 1.00 25.00 H new ATOM 0 HG23 THR A 58 -4.481 2.853 -7.041 1.00 25.00 H new ATOM 892 N TYR A 59 -1.972 -0.810 -5.569 1.00 25.00 N ATOM 893 CA TYR A 59 -0.893 -1.766 -5.303 1.00 25.00 C ATOM 894 C TYR A 59 -1.417 -3.078 -4.723 1.00 25.00 C ATOM 895 O TYR A 59 -0.634 -3.986 -4.441 1.00 25.00 O ATOM 896 CB TYR A 59 0.152 -1.154 -4.360 1.00 25.00 C ATOM 897 CG TYR A 59 1.261 -0.467 -5.117 1.00 25.00 C ATOM 898 CD1 TYR A 59 1.093 0.838 -5.617 1.00 25.00 C ATOM 899 CD2 TYR A 59 2.481 -1.131 -5.364 1.00 25.00 C ATOM 900 CE1 TYR A 59 2.118 1.463 -6.370 1.00 25.00 C ATOM 901 CE2 TYR A 59 3.515 -0.504 -6.114 1.00 25.00 C ATOM 902 CZ TYR A 59 3.318 0.784 -6.618 1.00 25.00 C ATOM 903 OH TYR A 59 4.310 1.378 -7.364 1.00 25.00 O ATOM 0 H TYR A 59 -2.139 -0.142 -4.816 1.00 25.00 H new ATOM 0 HA TYR A 59 -0.424 -1.992 -6.261 1.00 25.00 H new ATOM 0 HB2 TYR A 59 -0.333 -0.437 -3.697 1.00 25.00 H new ATOM 0 HB3 TYR A 59 0.574 -1.936 -3.729 1.00 25.00 H new ATOM 0 HD1 TYR A 59 0.172 1.369 -5.425 1.00 25.00 H new ATOM 0 HD2 TYR A 59 2.632 -2.129 -4.979 1.00 25.00 H new ATOM 0 HE1 TYR A 59 1.974 2.463 -6.753 1.00 25.00 H new ATOM 0 HE2 TYR A 59 4.446 -1.021 -6.293 1.00 25.00 H new ATOM 0 HH TYR A 59 5.074 0.768 -7.437 1.00 25.00 H new ATOM 913 N CYS A 60 -2.726 -3.198 -4.560 1.00 25.00 N ATOM 914 CA CYS A 60 -3.314 -4.444 -4.076 1.00 25.00 C ATOM 915 C CYS A 60 -3.201 -5.528 -5.145 1.00 25.00 C ATOM 916 O CYS A 60 -3.135 -5.236 -6.339 1.00 25.00 O ATOM 917 CB CYS A 60 -4.781 -4.229 -3.707 1.00 25.00 C ATOM 918 SG CYS A 60 -5.024 -2.988 -2.392 1.00 25.00 S ATOM 0 H CYS A 60 -3.399 -2.456 -4.753 1.00 25.00 H new ATOM 0 HA CYS A 60 -2.770 -4.763 -3.187 1.00 25.00 H new ATOM 0 HB2 CYS A 60 -5.329 -3.917 -4.596 1.00 25.00 H new ATOM 0 HB3 CYS A 60 -5.209 -5.178 -3.384 1.00 25.00 H new ATOM 923 N ALA A 61 -3.156 -6.779 -4.714 1.00 25.00 N ATOM 924 CA ALA A 61 -3.034 -7.895 -5.638 1.00 25.00 C ATOM 925 C ALA A 61 -4.413 -8.347 -6.126 1.00 25.00 C ATOM 926 O ALA A 61 -5.443 -7.997 -5.552 1.00 25.00 O ATOM 927 CB ALA A 61 -2.284 -9.044 -4.967 1.00 25.00 C ATOM 0 H ALA A 61 -3.202 -7.047 -3.731 1.00 25.00 H new ATOM 0 HA ALA A 61 -2.465 -7.572 -6.510 1.00 25.00 H new ATOM 0 HB1 ALA A 61 -2.196 -9.877 -5.664 1.00 25.00 H new ATOM 0 HB2 ALA A 61 -1.289 -8.708 -4.675 1.00 25.00 H new ATOM 0 HB3 ALA A 61 -2.831 -9.368 -4.082 1.00 25.00 H new ATOM 933 N THR A 62 -4.416 -9.129 -7.195 1.00 25.00 N ATOM 934 CA THR A 62 -5.641 -9.648 -7.769 1.00 25.00 C ATOM 935 C THR A 62 -6.303 -10.620 -6.792 1.00 25.00 C ATOM 936 O THR A 62 -5.619 -11.388 -6.112 1.00 25.00 O ATOM 937 CB THR A 62 -5.342 -10.412 -9.070 1.00 25.00 C ATOM 938 OG1 THR A 62 -4.311 -11.373 -8.820 1.00 25.00 O ATOM 939 CG2 THR A 62 -4.850 -9.470 -10.158 1.00 25.00 C ATOM 0 H THR A 62 -3.570 -9.419 -7.685 1.00 25.00 H new ATOM 0 HA THR A 62 -6.301 -8.806 -7.975 1.00 25.00 H new ATOM 0 HB THR A 62 -6.262 -10.894 -9.401 1.00 25.00 H new ATOM 0 HG1 THR A 62 -4.116 -11.865 -9.645 1.00 25.00 H new ATOM 0 HG21 THR A 62 -4.647 -10.038 -11.066 1.00 25.00 H new ATOM 0 HG22 THR A 62 -5.614 -8.720 -10.362 1.00 25.00 H new ATOM 0 HG23 THR A 62 -3.936 -8.977 -9.826 1.00 25.00 H new ATOM 947 N PRO A 63 -7.642 -10.614 -6.724 1.00 25.00 N ATOM 948 CA PRO A 63 -8.315 -11.525 -5.795 1.00 25.00 C ATOM 949 C PRO A 63 -8.214 -12.984 -6.214 1.00 25.00 C ATOM 950 O PRO A 63 -8.068 -13.305 -7.393 1.00 25.00 O ATOM 951 CB PRO A 63 -9.763 -11.040 -5.824 1.00 25.00 C ATOM 952 CG PRO A 63 -9.925 -10.439 -7.180 1.00 25.00 C ATOM 953 CD PRO A 63 -8.601 -9.781 -7.468 1.00 25.00 C ATOM 0 HA PRO A 63 -7.864 -11.504 -4.803 1.00 25.00 H new ATOM 0 HB2 PRO A 63 -10.461 -11.863 -5.668 1.00 25.00 H new ATOM 0 HB3 PRO A 63 -9.953 -10.308 -5.039 1.00 25.00 H new ATOM 0 HG2 PRO A 63 -10.159 -11.200 -7.925 1.00 25.00 H new ATOM 0 HG3 PRO A 63 -10.739 -9.715 -7.197 1.00 25.00 H new ATOM 0 HD2 PRO A 63 -8.381 -9.770 -8.535 1.00 25.00 H new ATOM 0 HD3 PRO A 63 -8.584 -8.746 -7.128 1.00 25.00 H new ATOM 961 N ALA A 64 -8.312 -13.860 -5.227 1.00 25.00 N ATOM 962 CA ALA A 64 -8.213 -15.299 -5.440 1.00 25.00 C ATOM 963 C ALA A 64 -9.453 -15.985 -4.877 1.00 25.00 C ATOM 964 O ALA A 64 -10.161 -15.419 -4.037 1.00 25.00 O ATOM 965 CB ALA A 64 -6.943 -15.833 -4.760 1.00 25.00 C ATOM 0 H ALA A 64 -8.463 -13.595 -4.254 1.00 25.00 H new ATOM 0 HA ALA A 64 -8.152 -15.510 -6.508 1.00 25.00 H new ATOM 0 HB1 ALA A 64 -6.870 -16.909 -4.920 1.00 25.00 H new ATOM 0 HB2 ALA A 64 -6.068 -15.342 -5.187 1.00 25.00 H new ATOM 0 HB3 ALA A 64 -6.989 -15.627 -3.691 1.00 25.00 H new ATOM 971 N LYS A 65 -9.702 -17.207 -5.331 1.00 25.00 N ATOM 972 CA LYS A 65 -10.828 -18.005 -4.840 1.00 25.00 C ATOM 973 C LYS A 65 -10.475 -18.564 -3.471 1.00 25.00 C ATOM 974 O LYS A 65 -9.316 -18.839 -3.190 1.00 25.00 O ATOM 975 CB LYS A 65 -11.111 -19.180 -5.783 1.00 25.00 C ATOM 976 CG LYS A 65 -11.690 -18.787 -7.135 1.00 25.00 C ATOM 977 CD LYS A 65 -11.937 -20.037 -7.984 1.00 25.00 C ATOM 978 CE LYS A 65 -12.576 -19.703 -9.333 1.00 25.00 C ATOM 979 NZ LYS A 65 -14.008 -19.257 -9.180 1.00 25.00 N ATOM 0 H LYS A 65 -9.138 -17.673 -6.042 1.00 25.00 H new ATOM 0 HA LYS A 65 -11.711 -17.368 -4.786 1.00 25.00 H new ATOM 0 HB2 LYS A 65 -10.183 -19.729 -5.946 1.00 25.00 H new ATOM 0 HB3 LYS A 65 -11.803 -19.864 -5.292 1.00 25.00 H new ATOM 0 HG2 LYS A 65 -12.624 -18.242 -6.995 1.00 25.00 H new ATOM 0 HG3 LYS A 65 -11.004 -18.116 -7.652 1.00 25.00 H new ATOM 0 HD2 LYS A 65 -10.992 -20.554 -8.150 1.00 25.00 H new ATOM 0 HD3 LYS A 65 -12.584 -20.723 -7.437 1.00 25.00 H new ATOM 0 HE2 LYS A 65 -12.001 -18.917 -9.823 1.00 25.00 H new ATOM 0 HE3 LYS A 65 -12.535 -20.579 -9.981 1.00 25.00 H new ATOM 0 HZ1 LYS A 65 -14.421 -19.089 -10.119 1.00 25.00 H new ATOM 0 HZ2 LYS A 65 -14.551 -19.996 -8.690 1.00 25.00 H new ATOM 0 HZ3 LYS A 65 -14.040 -18.378 -8.625 1.00 25.00 H new ATOM 993 N SER A 66 -11.490 -18.784 -2.656 1.00 25.00 N ATOM 994 CA SER A 66 -11.334 -19.418 -1.353 1.00 25.00 C ATOM 995 C SER A 66 -12.684 -20.047 -1.063 1.00 25.00 C ATOM 996 O SER A 66 -13.708 -19.530 -1.505 1.00 25.00 O ATOM 997 CB SER A 66 -10.973 -18.382 -0.289 1.00 25.00 C ATOM 998 OG SER A 66 -11.864 -17.279 -0.334 1.00 25.00 O ATOM 0 H SER A 66 -12.452 -18.528 -2.877 1.00 25.00 H new ATOM 0 HA SER A 66 -10.531 -20.155 -1.346 1.00 25.00 H new ATOM 0 HB2 SER A 66 -11.007 -18.842 0.699 1.00 25.00 H new ATOM 0 HB3 SER A 66 -9.951 -18.036 -0.445 1.00 25.00 H new ATOM 0 HG SER A 66 -11.615 -16.629 0.356 1.00 25.00 H new ATOM 1004 N GLU A 67 -12.686 -21.189 -0.373 1.00 25.00 N ATOM 1005 CA GLU A 67 -13.924 -21.928 -0.072 1.00 25.00 C ATOM 1006 C GLU A 67 -14.430 -21.626 1.340 1.00 25.00 C ATOM 1007 O GLU A 67 -13.735 -22.183 2.296 1.00 25.00 O ATOM 1008 CB GLU A 67 -13.729 -23.439 -0.325 1.00 25.00 C ATOM 1009 CG GLU A 67 -13.370 -23.694 -1.802 1.00 25.00 C ATOM 1010 CD GLU A 67 -13.166 -25.162 -2.043 1.00 25.00 C ATOM 1011 OE1 GLU A 67 -13.878 -25.722 -2.843 1.00 25.00 O ATOM 1012 OE2 GLU A 67 -12.282 -25.726 -1.434 1.00 25.00 O ATOM 0 H GLU A 67 -11.841 -21.628 -0.008 1.00 25.00 H new ATOM 0 HA GLU A 67 -14.704 -21.586 -0.752 1.00 25.00 H new ATOM 0 HB2 GLU A 67 -12.938 -23.823 0.320 1.00 25.00 H new ATOM 0 HB3 GLU A 67 -14.641 -23.978 -0.067 1.00 25.00 H new ATOM 0 HG2 GLU A 67 -14.166 -23.320 -2.446 1.00 25.00 H new ATOM 0 HG3 GLU A 67 -12.464 -23.146 -2.063 1.00 25.00 H new TER 1019 GLU A 67