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+ -102:sc= 0.00683 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 41:sc= 0.178 USER MOD Single : A 16 THR OG1 : rot 71:sc= 1.15 USER MOD Single : A 18 GLN : amide:sc= -0.0135 K(o=-0.013,f=-1.2) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 90:sc= 0.0907 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 40:sc= 0.0726 USER MOD Single : A 50 SER OG : rot 180:sc= 0.00643 USER MOD Single : A 58 THR OG1 : rot -77:sc= 1.26 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -28:sc= 1.29 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc=-0.00096 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -4.808 10.080 19.669 1.00 25.00 N ATOM 2 CA ALA A 1 -4.273 9.368 18.493 1.00 25.00 C ATOM 3 C ALA A 1 -2.761 9.141 18.530 1.00 25.00 C ATOM 4 O ALA A 1 -2.012 9.778 19.240 1.00 25.00 O ATOM 5 CB ALA A 1 -4.661 10.170 17.240 1.00 25.00 C ATOM 0 H1 ALA A 1 -5.258 9.398 20.312 1.00 25.00 H new ATOM 0 H2 ALA A 1 -4.032 10.564 20.165 1.00 25.00 H new ATOM 0 H3 ALA A 1 -5.511 10.781 19.360 1.00 25.00 H new ATOM 0 HA ALA A 1 -4.709 8.369 18.486 1.00 25.00 H new ATOM 0 HB1 ALA A 1 -4.278 9.666 16.353 1.00 25.00 H new ATOM 0 HB2 ALA A 1 -5.747 10.242 17.176 1.00 25.00 H new ATOM 0 HB3 ALA A 1 -4.234 11.171 17.302 1.00 25.00 H new ATOM 10 N TYR A 2 -2.301 8.187 17.715 1.00 25.00 N ATOM 11 CA TYR A 2 -0.874 7.905 17.587 1.00 25.00 C ATOM 12 C TYR A 2 -0.237 9.024 16.763 1.00 25.00 C ATOM 13 O TYR A 2 -0.937 9.762 16.071 1.00 25.00 O ATOM 14 CB TYR A 2 -0.661 6.549 16.910 1.00 25.00 C ATOM 15 CG TYR A 2 0.746 6.010 17.070 1.00 25.00 C ATOM 16 CD1 TYR A 2 1.199 5.544 18.323 1.00 25.00 C ATOM 17 CD2 TYR A 2 1.636 5.964 15.976 1.00 25.00 C ATOM 18 CE1 TYR A 2 2.520 5.050 18.482 1.00 25.00 C ATOM 19 CE2 TYR A 2 2.957 5.457 16.133 1.00 25.00 C ATOM 20 CZ TYR A 2 3.385 5.012 17.387 1.00 25.00 C ATOM 21 OH TYR A 2 4.661 4.534 17.544 1.00 25.00 O ATOM 0 H TYR A 2 -2.899 7.598 17.135 1.00 25.00 H new ATOM 0 HA TYR A 2 -0.410 7.862 18.572 1.00 25.00 H new ATOM 0 HB2 TYR A 2 -1.367 5.829 17.325 1.00 25.00 H new ATOM 0 HB3 TYR A 2 -0.888 6.642 15.848 1.00 25.00 H new ATOM 0 HD1 TYR A 2 0.532 5.564 19.172 1.00 25.00 H new ATOM 0 HD2 TYR A 2 1.311 6.317 15.008 1.00 25.00 H new ATOM 0 HE1 TYR A 2 2.855 4.704 19.449 1.00 25.00 H new ATOM 0 HE2 TYR A 2 3.626 5.416 15.286 1.00 25.00 H new ATOM 0 HH TYR A 2 5.133 4.574 16.686 1.00 25.00 H new ATOM 31 N ARG A 3 1.084 9.150 16.821 1.00 25.00 N ATOM 32 CA ARG A 3 1.776 10.188 16.058 1.00 25.00 C ATOM 33 C ARG A 3 1.503 10.001 14.555 1.00 25.00 C ATOM 34 O ARG A 3 1.406 8.867 14.070 1.00 25.00 O ATOM 35 CB ARG A 3 3.286 10.166 16.341 1.00 25.00 C ATOM 36 CG ARG A 3 3.965 8.831 16.031 1.00 25.00 C ATOM 37 CD ARG A 3 5.475 8.962 15.996 1.00 25.00 C ATOM 38 NE ARG A 3 6.053 9.329 17.303 1.00 25.00 N ATOM 39 CZ ARG A 3 6.499 8.475 18.219 1.00 25.00 C ATOM 40 NH1 ARG A 3 6.450 7.174 18.056 1.00 25.00 N ATOM 41 NH2 ARG A 3 7.005 8.942 19.326 1.00 25.00 N ATOM 0 H ARG A 3 1.694 8.555 17.381 1.00 25.00 H new ATOM 0 HA ARG A 3 1.394 11.160 16.369 1.00 25.00 H new ATOM 0 HB2 ARG A 3 3.765 10.949 15.754 1.00 25.00 H new ATOM 0 HB3 ARG A 3 3.451 10.409 17.391 1.00 25.00 H new ATOM 0 HG2 ARG A 3 3.681 8.096 16.784 1.00 25.00 H new ATOM 0 HG3 ARG A 3 3.610 8.457 15.071 1.00 25.00 H new ATOM 0 HD2 ARG A 3 5.908 8.018 15.666 1.00 25.00 H new ATOM 0 HD3 ARG A 3 5.752 9.715 15.258 1.00 25.00 H new ATOM 0 HE ARG A 3 6.116 10.323 17.523 1.00 25.00 H new ATOM 0 HH11 ARG A 3 6.058 6.782 17.200 1.00 25.00 H new ATOM 0 HH12 ARG A 3 6.804 6.555 18.785 1.00 25.00 H new ATOM 0 HH21 ARG A 3 7.054 9.949 19.479 1.00 25.00 H new ATOM 0 HH22 ARG A 3 7.352 8.300 20.039 1.00 25.00 H new ATOM 55 N PRO A 4 1.365 11.107 13.806 1.00 25.00 N ATOM 56 CA PRO A 4 1.087 10.934 12.379 1.00 25.00 C ATOM 57 C PRO A 4 2.309 10.463 11.599 1.00 25.00 C ATOM 58 O PRO A 4 3.447 10.636 12.030 1.00 25.00 O ATOM 59 CB PRO A 4 0.670 12.340 11.944 1.00 25.00 C ATOM 60 CG PRO A 4 1.448 13.233 12.833 1.00 25.00 C ATOM 61 CD PRO A 4 1.428 12.537 14.172 1.00 25.00 C ATOM 0 HA PRO A 4 0.333 10.170 12.192 1.00 25.00 H new ATOM 0 HB2 PRO A 4 0.903 12.519 10.894 1.00 25.00 H new ATOM 0 HB3 PRO A 4 -0.403 12.493 12.063 1.00 25.00 H new ATOM 0 HG2 PRO A 4 2.467 13.367 12.469 1.00 25.00 H new ATOM 0 HG3 PRO A 4 0.998 14.224 12.893 1.00 25.00 H new ATOM 0 HD2 PRO A 4 2.319 12.764 14.758 1.00 25.00 H new ATOM 0 HD3 PRO A 4 0.568 12.838 14.770 1.00 25.00 H new ATOM 69 N SER A 5 2.061 9.899 10.429 1.00 25.00 N ATOM 70 CA SER A 5 3.122 9.450 9.529 1.00 25.00 C ATOM 71 C SER A 5 2.971 10.184 8.202 1.00 25.00 C ATOM 72 O SER A 5 2.358 9.673 7.276 1.00 25.00 O ATOM 73 CB SER A 5 3.033 7.938 9.312 1.00 25.00 C ATOM 74 OG SER A 5 3.169 7.247 10.545 1.00 25.00 O ATOM 0 H SER A 5 1.119 9.737 10.072 1.00 25.00 H new ATOM 0 HA SER A 5 4.096 9.670 9.967 1.00 25.00 H new ATOM 0 HB2 SER A 5 2.077 7.687 8.852 1.00 25.00 H new ATOM 0 HB3 SER A 5 3.813 7.618 8.622 1.00 25.00 H new ATOM 0 HG SER A 5 3.108 6.282 10.387 1.00 25.00 H new ATOM 80 N GLU A 6 3.497 11.404 8.136 1.00 25.00 N ATOM 81 CA GLU A 6 3.384 12.232 6.923 1.00 25.00 C ATOM 82 C GLU A 6 4.102 11.564 5.744 1.00 25.00 C ATOM 83 O GLU A 6 3.710 11.716 4.591 1.00 25.00 O ATOM 84 CB GLU A 6 3.935 13.646 7.181 1.00 25.00 C ATOM 85 CG GLU A 6 5.451 13.722 7.422 1.00 25.00 C ATOM 86 CD GLU A 6 5.905 15.108 7.788 1.00 25.00 C ATOM 87 OE1 GLU A 6 5.165 16.020 8.008 1.00 25.00 O ATOM 88 OE2 GLU A 6 7.182 15.226 7.861 1.00 25.00 O ATOM 0 H GLU A 6 4.005 11.846 8.902 1.00 25.00 H new ATOM 0 HA GLU A 6 2.329 12.324 6.663 1.00 25.00 H new ATOM 0 HB2 GLU A 6 3.687 14.277 6.328 1.00 25.00 H new ATOM 0 HB3 GLU A 6 3.424 14.066 8.047 1.00 25.00 H new ATOM 0 HG2 GLU A 6 5.724 13.031 8.219 1.00 25.00 H new ATOM 0 HG3 GLU A 6 5.976 13.396 6.524 1.00 25.00 H new ATOM 96 N THR A 7 5.089 10.746 6.072 1.00 25.00 N ATOM 97 CA THR A 7 5.713 9.840 5.123 1.00 25.00 C ATOM 98 C THR A 7 5.443 8.485 5.736 1.00 25.00 C ATOM 99 O THR A 7 5.820 8.218 6.883 1.00 25.00 O ATOM 100 CB THR A 7 7.220 10.083 4.988 1.00 25.00 C ATOM 101 OG1 THR A 7 7.775 10.310 6.288 1.00 25.00 O ATOM 102 CG2 THR A 7 7.487 11.297 4.128 1.00 25.00 C ATOM 0 H THR A 7 5.482 10.692 7.012 1.00 25.00 H new ATOM 0 HA THR A 7 5.322 9.959 4.112 1.00 25.00 H new ATOM 0 HB THR A 7 7.676 9.209 4.523 1.00 25.00 H new ATOM 0 HG1 THR A 7 7.375 9.685 6.928 1.00 25.00 H new ATOM 0 HG21 THR A 7 8.562 11.454 4.044 1.00 25.00 H new ATOM 0 HG22 THR A 7 7.064 11.140 3.136 1.00 25.00 H new ATOM 0 HG23 THR A 7 7.027 12.174 4.584 1.00 25.00 H new ATOM 110 N LEU A 8 4.699 7.668 5.018 1.00 25.00 N ATOM 111 CA LEU A 8 4.254 6.387 5.533 1.00 25.00 C ATOM 112 C LEU A 8 5.323 5.341 5.260 1.00 25.00 C ATOM 113 O LEU A 8 5.552 4.927 4.128 1.00 25.00 O ATOM 114 CB LEU A 8 2.927 6.013 4.890 1.00 25.00 C ATOM 115 CG LEU A 8 2.262 4.747 5.404 1.00 25.00 C ATOM 116 CD1 LEU A 8 1.848 4.862 6.874 1.00 25.00 C ATOM 117 CD2 LEU A 8 1.051 4.484 4.546 1.00 25.00 C ATOM 0 H LEU A 8 4.387 7.870 4.068 1.00 25.00 H new ATOM 0 HA LEU A 8 4.099 6.444 6.610 1.00 25.00 H new ATOM 0 HB2 LEU A 8 2.234 6.843 5.028 1.00 25.00 H new ATOM 0 HB3 LEU A 8 3.085 5.905 3.817 1.00 25.00 H new ATOM 0 HG LEU A 8 2.975 3.925 5.345 1.00 25.00 H new ATOM 0 HD11 LEU A 8 1.378 3.932 7.193 1.00 25.00 H new ATOM 0 HD12 LEU A 8 2.729 5.052 7.486 1.00 25.00 H new ATOM 0 HD13 LEU A 8 1.142 5.684 6.990 1.00 25.00 H new ATOM 0 HD21 LEU A 8 0.550 3.579 4.891 1.00 25.00 H new ATOM 0 HD22 LEU A 8 0.365 5.328 4.617 1.00 25.00 H new ATOM 0 HD23 LEU A 8 1.361 4.355 3.509 1.00 25.00 H new ATOM 129 N CYS A 9 6.015 4.962 6.319 1.00 25.00 N ATOM 130 CA CYS A 9 7.174 4.081 6.223 1.00 25.00 C ATOM 131 C CYS A 9 7.346 3.347 7.551 1.00 25.00 C ATOM 132 O CYS A 9 6.433 3.335 8.366 1.00 25.00 O ATOM 133 CB CYS A 9 8.420 4.912 5.917 1.00 25.00 C ATOM 134 SG CYS A 9 9.595 4.012 4.861 1.00 25.00 S ATOM 0 H CYS A 9 5.793 5.254 7.271 1.00 25.00 H new ATOM 0 HA CYS A 9 7.029 3.355 5.423 1.00 25.00 H new ATOM 0 HB2 CYS A 9 8.126 5.839 5.424 1.00 25.00 H new ATOM 0 HB3 CYS A 9 8.910 5.189 6.851 1.00 25.00 H new ATOM 139 N GLY A 10 8.515 2.760 7.783 1.00 25.00 N ATOM 140 CA GLY A 10 8.813 2.167 9.083 1.00 25.00 C ATOM 141 C GLY A 10 7.900 1.027 9.490 1.00 25.00 C ATOM 142 O GLY A 10 7.579 0.875 10.655 1.00 25.00 O ATOM 0 H GLY A 10 9.265 2.682 7.096 1.00 25.00 H new ATOM 0 HA2 GLY A 10 9.841 1.804 9.073 1.00 25.00 H new ATOM 0 HA3 GLY A 10 8.757 2.947 9.843 1.00 25.00 H new ATOM 146 N GLY A 11 7.439 0.248 8.522 1.00 25.00 N ATOM 147 CA GLY A 11 6.535 -0.856 8.814 1.00 25.00 C ATOM 148 C GLY A 11 5.074 -0.443 8.850 1.00 25.00 C ATOM 149 O GLY A 11 4.198 -1.250 8.550 1.00 25.00 O ATOM 0 H GLY A 11 7.673 0.358 7.535 1.00 25.00 H new ATOM 0 HA2 GLY A 11 6.667 -1.633 8.061 1.00 25.00 H new ATOM 0 HA3 GLY A 11 6.805 -1.293 9.775 1.00 25.00 H new ATOM 153 N GLU A 12 4.801 0.823 9.136 1.00 25.00 N ATOM 154 CA GLU A 12 3.423 1.323 9.143 1.00 25.00 C ATOM 155 C GLU A 12 2.842 1.213 7.738 1.00 25.00 C ATOM 156 O GLU A 12 1.659 0.959 7.557 1.00 25.00 O ATOM 157 CB GLU A 12 3.368 2.786 9.611 1.00 25.00 C ATOM 158 CG GLU A 12 3.875 3.034 11.041 1.00 25.00 C ATOM 159 CD GLU A 12 2.944 2.489 12.094 1.00 25.00 C ATOM 160 OE1 GLU A 12 1.939 1.873 11.859 1.00 25.00 O ATOM 161 OE2 GLU A 12 3.321 2.753 13.294 1.00 25.00 O ATOM 0 H GLU A 12 5.507 1.523 9.366 1.00 25.00 H new ATOM 0 HA GLU A 12 2.838 0.721 9.838 1.00 25.00 H new ATOM 0 HB2 GLU A 12 3.957 3.393 8.923 1.00 25.00 H new ATOM 0 HB3 GLU A 12 2.338 3.135 9.542 1.00 25.00 H new ATOM 0 HG2 GLU A 12 4.857 2.575 11.158 1.00 25.00 H new ATOM 0 HG3 GLU A 12 4.003 4.105 11.195 1.00 25.00 H new ATOM 168 N LEU A 13 3.706 1.344 6.742 1.00 25.00 N ATOM 169 CA LEU A 13 3.306 1.192 5.347 1.00 25.00 C ATOM 170 C LEU A 13 2.775 -0.217 5.067 1.00 25.00 C ATOM 171 O LEU A 13 1.775 -0.386 4.385 1.00 25.00 O ATOM 172 CB LEU A 13 4.514 1.477 4.446 1.00 25.00 C ATOM 173 CG LEU A 13 4.286 1.371 2.930 1.00 25.00 C ATOM 174 CD1 LEU A 13 3.118 2.218 2.468 1.00 25.00 C ATOM 175 CD2 LEU A 13 5.564 1.803 2.209 1.00 25.00 C ATOM 0 H LEU A 13 4.695 1.557 6.873 1.00 25.00 H new ATOM 0 HA LEU A 13 2.503 1.899 5.138 1.00 25.00 H new ATOM 0 HB2 LEU A 13 4.873 2.482 4.666 1.00 25.00 H new ATOM 0 HB3 LEU A 13 5.312 0.787 4.719 1.00 25.00 H new ATOM 0 HG LEU A 13 4.044 0.335 2.691 1.00 25.00 H new ATOM 0 HD11 LEU A 13 2.995 2.111 1.390 1.00 25.00 H new ATOM 0 HD12 LEU A 13 2.209 1.889 2.971 1.00 25.00 H new ATOM 0 HD13 LEU A 13 3.309 3.264 2.710 1.00 25.00 H new ATOM 0 HD21 LEU A 13 5.415 1.732 1.131 1.00 25.00 H new ATOM 0 HD22 LEU A 13 5.802 2.833 2.476 1.00 25.00 H new ATOM 0 HD23 LEU A 13 6.387 1.152 2.505 1.00 25.00 H new ATOM 187 N VAL A 14 3.440 -1.222 5.618 1.00 25.00 N ATOM 188 CA VAL A 14 3.035 -2.617 5.425 1.00 25.00 C ATOM 189 C VAL A 14 1.699 -2.854 6.121 1.00 25.00 C ATOM 190 O VAL A 14 0.810 -3.473 5.553 1.00 25.00 O ATOM 191 CB VAL A 14 4.119 -3.595 5.972 1.00 25.00 C ATOM 192 CG1 VAL A 14 3.672 -5.050 5.835 1.00 25.00 C ATOM 193 CG2 VAL A 14 5.444 -3.392 5.207 1.00 25.00 C ATOM 0 H VAL A 14 4.266 -1.102 6.205 1.00 25.00 H new ATOM 0 HA VAL A 14 2.926 -2.809 4.358 1.00 25.00 H new ATOM 0 HB VAL A 14 4.265 -3.377 7.030 1.00 25.00 H new ATOM 0 HG11 VAL A 14 4.449 -5.708 6.225 1.00 25.00 H new ATOM 0 HG12 VAL A 14 2.751 -5.202 6.398 1.00 25.00 H new ATOM 0 HG13 VAL A 14 3.497 -5.279 4.784 1.00 25.00 H new ATOM 0 HG21 VAL A 14 6.197 -4.079 5.594 1.00 25.00 H new ATOM 0 HG22 VAL A 14 5.286 -3.588 4.147 1.00 25.00 H new ATOM 0 HG23 VAL A 14 5.787 -2.366 5.339 1.00 25.00 H new ATOM 203 N ASP A 15 1.539 -2.303 7.316 1.00 25.00 N ATOM 204 CA ASP A 15 0.276 -2.427 8.049 1.00 25.00 C ATOM 205 C ASP A 15 -0.858 -1.776 7.251 1.00 25.00 C ATOM 206 O ASP A 15 -1.949 -2.314 7.141 1.00 25.00 O ATOM 207 CB ASP A 15 0.396 -1.753 9.421 1.00 25.00 C ATOM 208 CG ASP A 15 -0.797 -2.009 10.298 1.00 25.00 C ATOM 209 OD1 ASP A 15 -1.503 -2.964 10.195 1.00 25.00 O ATOM 210 OD2 ASP A 15 -0.982 -1.089 11.196 1.00 25.00 O ATOM 0 H ASP A 15 2.260 -1.768 7.800 1.00 25.00 H new ATOM 0 HA ASP A 15 0.053 -3.485 8.190 1.00 25.00 H new ATOM 0 HB2 ASP A 15 1.294 -2.114 9.922 1.00 25.00 H new ATOM 0 HB3 ASP A 15 0.518 -0.678 9.284 1.00 25.00 H new ATOM 215 N THR A 16 -0.577 -0.634 6.646 1.00 25.00 N ATOM 216 CA THR A 16 -1.581 0.062 5.843 1.00 25.00 C ATOM 217 C THR A 16 -1.942 -0.739 4.594 1.00 25.00 C ATOM 218 O THR A 16 -3.101 -0.837 4.242 1.00 25.00 O ATOM 219 CB THR A 16 -1.086 1.456 5.427 1.00 25.00 C ATOM 220 OG1 THR A 16 -0.644 2.163 6.588 1.00 25.00 O ATOM 221 CG2 THR A 16 -2.195 2.273 4.782 1.00 25.00 C ATOM 0 H THR A 16 0.329 -0.168 6.692 1.00 25.00 H new ATOM 0 HA THR A 16 -2.470 0.170 6.464 1.00 25.00 H new ATOM 0 HB THR A 16 -0.277 1.320 4.709 1.00 25.00 H new ATOM 0 HG1 THR A 16 0.195 1.772 6.910 1.00 25.00 H new ATOM 0 HG21 THR A 16 -1.809 3.253 4.501 1.00 25.00 H new ATOM 0 HG22 THR A 16 -2.557 1.757 3.893 1.00 25.00 H new ATOM 0 HG23 THR A 16 -3.015 2.396 5.490 1.00 25.00 H new ATOM 229 N LEU A 17 -0.963 -1.348 3.940 1.00 25.00 N ATOM 230 CA LEU A 17 -1.238 -2.169 2.755 1.00 25.00 C ATOM 231 C LEU A 17 -2.130 -3.355 3.119 1.00 25.00 C ATOM 232 O LEU A 17 -3.045 -3.707 2.374 1.00 25.00 O ATOM 233 CB LEU A 17 0.073 -2.672 2.150 1.00 25.00 C ATOM 234 CG LEU A 17 0.826 -1.641 1.294 1.00 25.00 C ATOM 235 CD1 LEU A 17 2.311 -1.922 1.315 1.00 25.00 C ATOM 236 CD2 LEU A 17 0.319 -1.661 -0.153 1.00 25.00 C ATOM 0 H LEU A 17 0.021 -1.294 4.201 1.00 25.00 H new ATOM 0 HA LEU A 17 -1.758 -1.553 2.021 1.00 25.00 H new ATOM 0 HB2 LEU A 17 0.727 -3.000 2.958 1.00 25.00 H new ATOM 0 HB3 LEU A 17 -0.139 -3.548 1.536 1.00 25.00 H new ATOM 0 HG LEU A 17 0.642 -0.654 1.717 1.00 25.00 H new ATOM 0 HD11 LEU A 17 2.830 -1.183 0.704 1.00 25.00 H new ATOM 0 HD12 LEU A 17 2.677 -1.867 2.340 1.00 25.00 H new ATOM 0 HD13 LEU A 17 2.498 -2.919 0.916 1.00 25.00 H new ATOM 0 HD21 LEU A 17 0.866 -0.924 -0.740 1.00 25.00 H new ATOM 0 HD22 LEU A 17 0.474 -2.652 -0.579 1.00 25.00 H new ATOM 0 HD23 LEU A 17 -0.744 -1.422 -0.169 1.00 25.00 H new ATOM 248 N GLN A 18 -1.884 -3.936 4.284 1.00 25.00 N ATOM 249 CA GLN A 18 -2.699 -5.043 4.781 1.00 25.00 C ATOM 250 C GLN A 18 -4.114 -4.563 5.100 1.00 25.00 C ATOM 251 O GLN A 18 -5.079 -5.248 4.806 1.00 25.00 O ATOM 252 CB GLN A 18 -2.054 -5.640 6.035 1.00 25.00 C ATOM 253 CG GLN A 18 -0.738 -6.356 5.746 1.00 25.00 C ATOM 254 CD GLN A 18 0.086 -6.639 6.987 1.00 25.00 C ATOM 255 OE1 GLN A 18 -0.169 -6.125 8.058 1.00 25.00 O ATOM 256 NE2 GLN A 18 1.097 -7.450 6.832 1.00 25.00 N ATOM 0 H GLN A 18 -1.125 -3.661 4.907 1.00 25.00 H new ATOM 0 HA GLN A 18 -2.758 -5.809 4.008 1.00 25.00 H new ATOM 0 HB2 GLN A 18 -1.877 -4.845 6.759 1.00 25.00 H new ATOM 0 HB3 GLN A 18 -2.749 -6.342 6.495 1.00 25.00 H new ATOM 0 HG2 GLN A 18 -0.950 -7.297 5.239 1.00 25.00 H new ATOM 0 HG3 GLN A 18 -0.148 -5.750 5.059 1.00 25.00 H new ATOM 0 HE21 GLN A 18 1.283 -7.865 5.919 1.00 25.00 H new ATOM 0 HE22 GLN A 18 1.701 -7.669 7.624 1.00 25.00 H new ATOM 265 N PHE A 19 -4.234 -3.376 5.671 1.00 25.00 N ATOM 266 CA PHE A 19 -5.541 -2.800 5.989 1.00 25.00 C ATOM 267 C PHE A 19 -6.350 -2.464 4.730 1.00 25.00 C ATOM 268 O PHE A 19 -7.529 -2.786 4.640 1.00 25.00 O ATOM 269 CB PHE A 19 -5.338 -1.526 6.820 1.00 25.00 C ATOM 270 CG PHE A 19 -6.621 -0.835 7.193 1.00 25.00 C ATOM 271 CD1 PHE A 19 -7.101 0.241 6.420 1.00 25.00 C ATOM 272 CD2 PHE A 19 -7.350 -1.247 8.322 1.00 25.00 C ATOM 273 CE1 PHE A 19 -8.304 0.902 6.769 1.00 25.00 C ATOM 274 CE2 PHE A 19 -8.557 -0.591 8.683 1.00 25.00 C ATOM 275 CZ PHE A 19 -9.031 0.485 7.903 1.00 25.00 C ATOM 0 H PHE A 19 -3.442 -2.786 5.927 1.00 25.00 H new ATOM 0 HA PHE A 19 -6.106 -3.543 6.552 1.00 25.00 H new ATOM 0 HB2 PHE A 19 -4.795 -1.780 7.730 1.00 25.00 H new ATOM 0 HB3 PHE A 19 -4.712 -0.832 6.258 1.00 25.00 H new ATOM 0 HD1 PHE A 19 -6.546 0.565 5.552 1.00 25.00 H new ATOM 0 HD2 PHE A 19 -6.989 -2.070 8.921 1.00 25.00 H new ATOM 0 HE1 PHE A 19 -8.664 1.724 6.168 1.00 25.00 H new ATOM 0 HE2 PHE A 19 -9.110 -0.915 9.552 1.00 25.00 H new ATOM 0 HZ PHE A 19 -9.948 0.988 8.174 1.00 25.00 H new ATOM 285 N VAL A 20 -5.719 -1.798 3.774 1.00 25.00 N ATOM 286 CA VAL A 20 -6.404 -1.336 2.560 1.00 25.00 C ATOM 287 C VAL A 20 -6.847 -2.491 1.667 1.00 25.00 C ATOM 288 O VAL A 20 -7.958 -2.475 1.143 1.00 25.00 O ATOM 289 CB VAL A 20 -5.480 -0.358 1.750 1.00 25.00 C ATOM 290 CG1 VAL A 20 -6.068 -0.013 0.364 1.00 25.00 C ATOM 291 CG2 VAL A 20 -5.284 0.941 2.544 1.00 25.00 C ATOM 0 H VAL A 20 -4.728 -1.561 3.810 1.00 25.00 H new ATOM 0 HA VAL A 20 -7.302 -0.809 2.882 1.00 25.00 H new ATOM 0 HB VAL A 20 -4.527 -0.864 1.596 1.00 25.00 H new ATOM 0 HG11 VAL A 20 -5.394 0.666 -0.159 1.00 25.00 H new ATOM 0 HG12 VAL A 20 -6.187 -0.927 -0.219 1.00 25.00 H new ATOM 0 HG13 VAL A 20 -7.039 0.466 0.490 1.00 25.00 H new ATOM 0 HG21 VAL A 20 -4.643 1.619 1.981 1.00 25.00 H new ATOM 0 HG22 VAL A 20 -6.252 1.414 2.713 1.00 25.00 H new ATOM 0 HG23 VAL A 20 -4.819 0.714 3.503 1.00 25.00 H new ATOM 301 N CYS A 21 -5.991 -3.484 1.469 1.00 25.00 N ATOM 302 CA CYS A 21 -6.335 -4.572 0.554 1.00 25.00 C ATOM 303 C CYS A 21 -6.942 -5.791 1.255 1.00 25.00 C ATOM 304 O CYS A 21 -7.549 -6.656 0.616 1.00 25.00 O ATOM 305 CB CYS A 21 -5.113 -4.987 -0.257 1.00 25.00 C ATOM 306 SG CYS A 21 -5.595 -5.469 -1.941 1.00 25.00 S ATOM 0 H CYS A 21 -5.077 -3.563 1.914 1.00 25.00 H new ATOM 0 HA CYS A 21 -7.106 -4.181 -0.110 1.00 25.00 H new ATOM 0 HB2 CYS A 21 -4.401 -4.163 -0.299 1.00 25.00 H new ATOM 0 HB3 CYS A 21 -4.609 -5.819 0.235 1.00 25.00 H new ATOM 311 N GLY A 22 -6.788 -5.866 2.567 1.00 25.00 N ATOM 312 CA GLY A 22 -7.341 -6.980 3.316 1.00 25.00 C ATOM 313 C GLY A 22 -6.802 -8.320 2.851 1.00 25.00 C ATOM 314 O GLY A 22 -5.640 -8.459 2.462 1.00 25.00 O ATOM 0 H GLY A 22 -6.290 -5.176 3.130 1.00 25.00 H new ATOM 0 HA2 GLY A 22 -7.115 -6.849 4.374 1.00 25.00 H new ATOM 0 HA3 GLY A 22 -8.427 -6.975 3.219 1.00 25.00 H new ATOM 318 N ASP A 23 -7.675 -9.317 2.855 1.00 25.00 N ATOM 319 CA ASP A 23 -7.309 -10.684 2.469 1.00 25.00 C ATOM 320 C ASP A 23 -7.042 -10.860 0.967 1.00 25.00 C ATOM 321 O ASP A 23 -6.777 -11.964 0.512 1.00 25.00 O ATOM 322 CB ASP A 23 -8.405 -11.662 2.905 1.00 25.00 C ATOM 323 CG ASP A 23 -7.896 -13.072 3.045 1.00 25.00 C ATOM 324 OD1 ASP A 23 -6.814 -13.343 3.476 1.00 25.00 O ATOM 325 OD2 ASP A 23 -8.757 -13.971 2.682 1.00 25.00 O ATOM 0 H ASP A 23 -8.653 -9.209 3.123 1.00 25.00 H new ATOM 0 HA ASP A 23 -6.370 -10.897 2.980 1.00 25.00 H new ATOM 0 HB2 ASP A 23 -8.823 -11.334 3.857 1.00 25.00 H new ATOM 0 HB3 ASP A 23 -9.216 -11.642 2.177 1.00 25.00 H new ATOM 330 N ARG A 24 -7.155 -9.795 0.181 1.00 25.00 N ATOM 331 CA ARG A 24 -6.889 -9.886 -1.255 1.00 25.00 C ATOM 332 C ARG A 24 -5.392 -9.962 -1.528 1.00 25.00 C ATOM 333 O ARG A 24 -4.978 -10.416 -2.591 1.00 25.00 O ATOM 334 CB ARG A 24 -7.469 -8.669 -1.979 1.00 25.00 C ATOM 335 CG ARG A 24 -8.993 -8.485 -1.824 1.00 25.00 C ATOM 336 CD ARG A 24 -9.777 -9.700 -2.307 1.00 25.00 C ATOM 337 NE ARG A 24 -9.372 -10.067 -3.671 1.00 25.00 N ATOM 338 CZ ARG A 24 -9.895 -11.049 -4.394 1.00 25.00 C ATOM 339 NH1 ARG A 24 -10.870 -11.806 -3.949 1.00 25.00 N ATOM 340 NH2 ARG A 24 -9.425 -11.273 -5.589 1.00 25.00 N ATOM 0 H ARG A 24 -7.426 -8.867 0.507 1.00 25.00 H new ATOM 0 HA ARG A 24 -7.364 -10.795 -1.625 1.00 25.00 H new ATOM 0 HB2 ARG A 24 -6.970 -7.773 -1.609 1.00 25.00 H new ATOM 0 HB3 ARG A 24 -7.234 -8.750 -3.040 1.00 25.00 H new ATOM 0 HG2 ARG A 24 -9.229 -8.297 -0.777 1.00 25.00 H new ATOM 0 HG3 ARG A 24 -9.309 -7.606 -2.385 1.00 25.00 H new ATOM 0 HD2 ARG A 24 -9.608 -10.540 -1.633 1.00 25.00 H new ATOM 0 HD3 ARG A 24 -10.845 -9.483 -2.285 1.00 25.00 H new ATOM 0 HE ARG A 24 -8.625 -9.520 -4.099 1.00 25.00 H new ATOM 0 HH11 ARG A 24 -11.253 -11.649 -3.017 1.00 25.00 H new ATOM 0 HH12 ARG A 24 -11.245 -12.551 -4.536 1.00 25.00 H new ATOM 0 HH21 ARG A 24 -8.667 -10.697 -5.955 1.00 25.00 H new ATOM 0 HH22 ARG A 24 -9.816 -12.024 -6.158 1.00 25.00 H new ATOM 354 N GLY A 25 -4.591 -9.526 -0.565 1.00 25.00 N ATOM 355 CA GLY A 25 -3.144 -9.550 -0.717 1.00 25.00 C ATOM 356 C GLY A 25 -2.632 -8.322 -1.445 1.00 25.00 C ATOM 357 O GLY A 25 -3.389 -7.619 -2.103 1.00 25.00 O ATOM 0 H GLY A 25 -4.918 -9.153 0.326 1.00 25.00 H new ATOM 0 HA2 GLY A 25 -2.677 -9.611 0.266 1.00 25.00 H new ATOM 0 HA3 GLY A 25 -2.851 -10.446 -1.265 1.00 25.00 H new ATOM 361 N PHE A 26 -1.343 -8.052 -1.323 1.00 25.00 N ATOM 362 CA PHE A 26 -0.733 -6.876 -1.934 1.00 25.00 C ATOM 363 C PHE A 26 0.705 -7.215 -2.284 1.00 25.00 C ATOM 364 O PHE A 26 1.235 -8.222 -1.811 1.00 25.00 O ATOM 365 CB PHE A 26 -0.748 -5.699 -0.948 1.00 25.00 C ATOM 366 CG PHE A 26 0.169 -5.897 0.232 1.00 25.00 C ATOM 367 CD1 PHE A 26 1.488 -5.403 0.202 1.00 25.00 C ATOM 368 CD2 PHE A 26 -0.273 -6.586 1.375 1.00 25.00 C ATOM 369 CE1 PHE A 26 2.364 -5.606 1.296 1.00 25.00 C ATOM 370 CE2 PHE A 26 0.595 -6.798 2.471 1.00 25.00 C ATOM 371 CZ PHE A 26 1.916 -6.305 2.429 1.00 25.00 C ATOM 0 H PHE A 26 -0.690 -8.637 -0.801 1.00 25.00 H new ATOM 0 HA PHE A 26 -1.291 -6.593 -2.827 1.00 25.00 H new ATOM 0 HB2 PHE A 26 -0.460 -4.789 -1.475 1.00 25.00 H new ATOM 0 HB3 PHE A 26 -1.766 -5.549 -0.587 1.00 25.00 H new ATOM 0 HD1 PHE A 26 1.835 -4.863 -0.666 1.00 25.00 H new ATOM 0 HD2 PHE A 26 -1.286 -6.957 1.416 1.00 25.00 H new ATOM 0 HE1 PHE A 26 3.374 -5.224 1.259 1.00 25.00 H new ATOM 0 HE2 PHE A 26 0.247 -7.337 3.340 1.00 25.00 H new ATOM 0 HZ PHE A 26 2.581 -6.464 3.265 1.00 25.00 H new ATOM 381 N TYR A 27 1.348 -6.361 -3.066 1.00 25.00 N ATOM 382 CA TYR A 27 2.766 -6.520 -3.374 1.00 25.00 C ATOM 383 C TYR A 27 3.558 -5.298 -2.923 1.00 25.00 C ATOM 384 O TYR A 27 3.037 -4.191 -2.834 1.00 25.00 O ATOM 385 CB TYR A 27 2.968 -6.787 -4.863 1.00 25.00 C ATOM 386 CG TYR A 27 2.642 -8.219 -5.228 1.00 25.00 C ATOM 387 CD1 TYR A 27 1.347 -8.588 -5.645 1.00 25.00 C ATOM 388 CD2 TYR A 27 3.630 -9.225 -5.138 1.00 25.00 C ATOM 389 CE1 TYR A 27 1.040 -9.943 -5.955 1.00 25.00 C ATOM 390 CE2 TYR A 27 3.325 -10.576 -5.448 1.00 25.00 C ATOM 391 CZ TYR A 27 2.032 -10.922 -5.847 1.00 25.00 C ATOM 392 OH TYR A 27 1.749 -12.233 -6.132 1.00 25.00 O ATOM 0 H TYR A 27 0.911 -5.548 -3.501 1.00 25.00 H new ATOM 0 HA TYR A 27 3.141 -7.383 -2.824 1.00 25.00 H new ATOM 0 HB2 TYR A 27 2.337 -6.112 -5.442 1.00 25.00 H new ATOM 0 HB3 TYR A 27 4.001 -6.569 -5.134 1.00 25.00 H new ATOM 0 HD1 TYR A 27 0.579 -7.834 -5.730 1.00 25.00 H new ATOM 0 HD2 TYR A 27 4.631 -8.962 -4.829 1.00 25.00 H new ATOM 0 HE1 TYR A 27 0.044 -10.214 -6.273 1.00 25.00 H new ATOM 0 HE2 TYR A 27 4.091 -11.334 -5.376 1.00 25.00 H new ATOM 0 HH TYR A 27 2.555 -12.777 -6.005 1.00 25.00 H new ATOM 402 N PHE A 28 4.824 -5.525 -2.616 1.00 25.00 N ATOM 403 CA PHE A 28 5.708 -4.485 -2.100 1.00 25.00 C ATOM 404 C PHE A 28 6.963 -4.476 -2.957 1.00 25.00 C ATOM 405 O PHE A 28 7.340 -5.510 -3.514 1.00 25.00 O ATOM 406 CB PHE A 28 6.083 -4.817 -0.644 1.00 25.00 C ATOM 407 CG PHE A 28 6.571 -3.631 0.158 1.00 25.00 C ATOM 408 CD1 PHE A 28 7.920 -3.213 0.110 1.00 25.00 C ATOM 409 CD2 PHE A 28 5.684 -2.942 0.995 1.00 25.00 C ATOM 410 CE1 PHE A 28 8.366 -2.110 0.876 1.00 25.00 C ATOM 411 CE2 PHE A 28 6.118 -1.842 1.770 1.00 25.00 C ATOM 412 CZ PHE A 28 7.463 -1.424 1.708 1.00 25.00 C ATOM 0 H PHE A 28 5.272 -6.436 -2.716 1.00 25.00 H new ATOM 0 HA PHE A 28 5.219 -3.511 -2.130 1.00 25.00 H new ATOM 0 HB2 PHE A 28 5.213 -5.245 -0.145 1.00 25.00 H new ATOM 0 HB3 PHE A 28 6.858 -5.583 -0.646 1.00 25.00 H new ATOM 0 HD1 PHE A 28 8.620 -3.742 -0.520 1.00 25.00 H new ATOM 0 HD2 PHE A 28 4.652 -3.256 1.049 1.00 25.00 H new ATOM 0 HE1 PHE A 28 9.398 -1.796 0.822 1.00 25.00 H new ATOM 0 HE2 PHE A 28 5.420 -1.322 2.409 1.00 25.00 H new ATOM 0 HZ PHE A 28 7.798 -0.582 2.296 1.00 25.00 H new ATOM 422 N SER A 29 7.647 -3.343 -3.002 1.00 25.00 N ATOM 423 CA SER A 29 8.958 -3.232 -3.645 1.00 25.00 C ATOM 424 C SER A 29 10.015 -3.821 -2.692 1.00 25.00 C ATOM 425 O SER A 29 10.848 -3.106 -2.134 1.00 25.00 O ATOM 426 CB SER A 29 9.240 -1.758 -3.926 1.00 25.00 C ATOM 427 OG SER A 29 8.747 -0.966 -2.853 1.00 25.00 O ATOM 0 H SER A 29 7.313 -2.470 -2.594 1.00 25.00 H new ATOM 0 HA SER A 29 8.984 -3.779 -4.587 1.00 25.00 H new ATOM 0 HB2 SER A 29 10.312 -1.599 -4.047 1.00 25.00 H new ATOM 0 HB3 SER A 29 8.766 -1.458 -4.861 1.00 25.00 H new ATOM 0 HG SER A 29 9.448 -0.859 -2.176 1.00 25.00 H new ATOM 433 N ARG A 30 9.882 -5.112 -2.426 1.00 25.00 N ATOM 434 CA ARG A 30 10.686 -5.815 -1.422 1.00 25.00 C ATOM 435 C ARG A 30 12.053 -6.230 -1.984 1.00 25.00 C ATOM 436 O ARG A 30 12.214 -6.349 -3.201 1.00 25.00 O ATOM 437 CB ARG A 30 9.882 -7.029 -0.896 1.00 25.00 C ATOM 438 CG ARG A 30 9.449 -8.077 -1.946 1.00 25.00 C ATOM 439 CD ARG A 30 10.510 -9.148 -2.141 1.00 25.00 C ATOM 440 NE ARG A 30 10.021 -10.297 -2.920 1.00 25.00 N ATOM 441 CZ ARG A 30 10.737 -11.381 -3.201 1.00 25.00 C ATOM 442 NH1 ARG A 30 11.984 -11.517 -2.817 1.00 25.00 N ATOM 443 NH2 ARG A 30 10.185 -12.350 -3.880 1.00 25.00 N ATOM 0 H ARG A 30 9.208 -5.712 -2.902 1.00 25.00 H new ATOM 0 HA ARG A 30 10.894 -5.142 -0.590 1.00 25.00 H new ATOM 0 HB2 ARG A 30 10.482 -7.533 -0.138 1.00 25.00 H new ATOM 0 HB3 ARG A 30 8.987 -6.656 -0.398 1.00 25.00 H new ATOM 0 HG2 ARG A 30 8.515 -8.543 -1.632 1.00 25.00 H new ATOM 0 HG3 ARG A 30 9.254 -7.581 -2.897 1.00 25.00 H new ATOM 0 HD2 ARG A 30 11.372 -8.712 -2.646 1.00 25.00 H new ATOM 0 HD3 ARG A 30 10.854 -9.495 -1.166 1.00 25.00 H new ATOM 0 HE ARG A 30 9.064 -10.259 -3.269 1.00 25.00 H new ATOM 0 HH11 ARG A 30 12.437 -10.775 -2.283 1.00 25.00 H new ATOM 0 HH12 ARG A 30 12.501 -12.364 -3.052 1.00 25.00 H new ATOM 0 HH21 ARG A 30 9.216 -12.269 -4.188 1.00 25.00 H new ATOM 0 HH22 ARG A 30 10.723 -13.188 -4.103 1.00 25.00 H new ATOM 457 N PRO A 31 13.059 -6.441 -1.108 1.00 25.00 N ATOM 458 CA PRO A 31 14.374 -6.811 -1.649 1.00 25.00 C ATOM 459 C PRO A 31 14.423 -8.217 -2.246 1.00 25.00 C ATOM 460 O PRO A 31 13.655 -9.105 -1.873 1.00 25.00 O ATOM 461 CB PRO A 31 15.285 -6.709 -0.422 1.00 25.00 C ATOM 462 CG PRO A 31 14.396 -7.027 0.714 1.00 25.00 C ATOM 463 CD PRO A 31 13.101 -6.345 0.366 1.00 25.00 C ATOM 0 HA PRO A 31 14.661 -6.168 -2.481 1.00 25.00 H new ATOM 0 HB2 PRO A 31 16.118 -7.409 -0.485 1.00 25.00 H new ATOM 0 HB3 PRO A 31 15.714 -5.712 -0.326 1.00 25.00 H new ATOM 0 HG2 PRO A 31 14.262 -8.103 0.827 1.00 25.00 H new ATOM 0 HG3 PRO A 31 14.802 -6.656 1.655 1.00 25.00 H new ATOM 0 HD2 PRO A 31 12.247 -6.841 0.827 1.00 25.00 H new ATOM 0 HD3 PRO A 31 13.088 -5.309 0.703 1.00 25.00 H new ATOM 471 N ALA A 32 15.346 -8.405 -3.178 1.00 25.00 N ATOM 472 CA ALA A 32 15.553 -9.678 -3.848 1.00 25.00 C ATOM 473 C ALA A 32 16.989 -9.623 -4.370 1.00 25.00 C ATOM 474 O ALA A 32 17.649 -8.603 -4.215 1.00 25.00 O ATOM 475 CB ALA A 32 14.547 -9.851 -4.998 1.00 25.00 C ATOM 0 H ALA A 32 15.978 -7.669 -3.493 1.00 25.00 H new ATOM 0 HA ALA A 32 15.402 -10.527 -3.181 1.00 25.00 H new ATOM 0 HB1 ALA A 32 14.716 -10.809 -5.489 1.00 25.00 H new ATOM 0 HB2 ALA A 32 13.532 -9.821 -4.601 1.00 25.00 H new ATOM 0 HB3 ALA A 32 14.678 -9.045 -5.720 1.00 25.00 H new ATOM 481 N SER A 33 17.452 -10.701 -4.982 1.00 25.00 N ATOM 482 CA SER A 33 18.832 -10.801 -5.465 1.00 25.00 C ATOM 483 C SER A 33 19.194 -10.095 -6.764 1.00 25.00 C ATOM 484 O SER A 33 19.770 -9.025 -6.779 1.00 25.00 O ATOM 485 CB SER A 33 19.154 -12.265 -5.667 1.00 25.00 C ATOM 486 OG SER A 33 19.191 -12.953 -4.432 1.00 25.00 O ATOM 0 H SER A 33 16.889 -11.532 -5.161 1.00 25.00 H new ATOM 0 HA SER A 33 19.408 -10.290 -4.694 1.00 25.00 H new ATOM 0 HB2 SER A 33 18.406 -12.719 -6.317 1.00 25.00 H new ATOM 0 HB3 SER A 33 20.116 -12.363 -6.170 1.00 25.00 H new ATOM 0 HG SER A 33 19.399 -13.898 -4.590 1.00 25.00 H new ATOM 492 N ARG A 34 18.912 -10.790 -7.853 1.00 25.00 N ATOM 493 CA ARG A 34 19.319 -10.412 -9.226 1.00 25.00 C ATOM 494 C ARG A 34 18.655 -9.157 -9.755 1.00 25.00 C ATOM 495 O ARG A 34 18.856 -8.755 -10.900 1.00 25.00 O ATOM 496 CB ARG A 34 18.978 -11.568 -10.167 1.00 25.00 C ATOM 497 CG ARG A 34 20.148 -12.476 -10.448 1.00 25.00 C ATOM 498 CD ARG A 34 21.100 -11.843 -11.469 1.00 25.00 C ATOM 499 NE ARG A 34 22.180 -12.763 -11.869 1.00 25.00 N ATOM 500 CZ ARG A 34 23.155 -12.474 -12.727 1.00 25.00 C ATOM 501 NH1 ARG A 34 23.252 -11.302 -13.305 1.00 25.00 N ATOM 502 NH2 ARG A 34 24.047 -13.382 -13.008 1.00 25.00 N ATOM 0 H ARG A 34 18.379 -11.659 -7.822 1.00 25.00 H new ATOM 0 HA ARG A 34 20.388 -10.203 -9.183 1.00 25.00 H new ATOM 0 HB2 ARG A 34 18.169 -12.154 -9.732 1.00 25.00 H new ATOM 0 HB3 ARG A 34 18.607 -11.163 -11.109 1.00 25.00 H new ATOM 0 HG2 ARG A 34 20.685 -12.680 -9.522 1.00 25.00 H new ATOM 0 HG3 ARG A 34 19.788 -13.433 -10.825 1.00 25.00 H new ATOM 0 HD2 ARG A 34 20.536 -11.543 -12.352 1.00 25.00 H new ATOM 0 HD3 ARG A 34 21.535 -10.938 -11.045 1.00 25.00 H new ATOM 0 HE ARG A 34 22.180 -13.695 -11.455 1.00 25.00 H new ATOM 0 HH11 ARG A 34 22.566 -10.575 -13.102 1.00 25.00 H new ATOM 0 HH12 ARG A 34 24.014 -11.117 -13.958 1.00 25.00 H new ATOM 0 HH21 ARG A 34 23.993 -14.302 -12.572 1.00 25.00 H new ATOM 0 HH22 ARG A 34 24.799 -13.172 -13.664 1.00 25.00 H new ATOM 516 N VAL A 35 17.833 -8.572 -8.919 1.00 25.00 N ATOM 517 CA VAL A 35 17.112 -7.356 -9.281 1.00 25.00 C ATOM 518 C VAL A 35 18.083 -6.183 -9.409 1.00 25.00 C ATOM 519 O VAL A 35 19.146 -6.164 -8.814 1.00 25.00 O ATOM 520 CB VAL A 35 16.009 -7.031 -8.254 1.00 25.00 C ATOM 521 CG1 VAL A 35 14.895 -8.079 -8.348 1.00 25.00 C ATOM 522 CG2 VAL A 35 16.579 -6.992 -6.837 1.00 25.00 C ATOM 0 H VAL A 35 17.640 -8.913 -7.977 1.00 25.00 H new ATOM 0 HA VAL A 35 16.631 -7.524 -10.245 1.00 25.00 H new ATOM 0 HB VAL A 35 15.600 -6.047 -8.480 1.00 25.00 H new ATOM 0 HG11 VAL A 35 14.116 -7.848 -7.621 1.00 25.00 H new ATOM 0 HG12 VAL A 35 14.470 -8.069 -9.352 1.00 25.00 H new ATOM 0 HG13 VAL A 35 15.306 -9.067 -8.138 1.00 25.00 H new ATOM 0 HG21 VAL A 35 15.782 -6.761 -6.130 1.00 25.00 H new ATOM 0 HG22 VAL A 35 17.011 -7.962 -6.592 1.00 25.00 H new ATOM 0 HG23 VAL A 35 17.351 -6.225 -6.776 1.00 25.00 H new ATOM 532 N SER A 36 17.698 -5.207 -10.218 1.00 25.00 N ATOM 533 CA SER A 36 18.558 -4.072 -10.544 1.00 25.00 C ATOM 534 C SER A 36 18.151 -2.824 -9.786 1.00 25.00 C ATOM 535 O SER A 36 18.563 -1.729 -10.130 1.00 25.00 O ATOM 536 CB SER A 36 18.480 -3.798 -12.044 1.00 25.00 C ATOM 537 OG SER A 36 18.319 -5.018 -12.750 1.00 25.00 O ATOM 0 H SER A 36 16.783 -5.177 -10.668 1.00 25.00 H new ATOM 0 HA SER A 36 19.577 -4.325 -10.253 1.00 25.00 H new ATOM 0 HB2 SER A 36 17.645 -3.131 -12.258 1.00 25.00 H new ATOM 0 HB3 SER A 36 19.386 -3.291 -12.378 1.00 25.00 H new ATOM 0 HG SER A 36 18.268 -4.835 -13.711 1.00 25.00 H new ATOM 543 N ARG A 37 17.305 -3.014 -8.772 1.00 25.00 N ATOM 544 CA ARG A 37 16.853 -1.926 -7.886 1.00 25.00 C ATOM 545 C ARG A 37 16.288 -0.740 -8.673 1.00 25.00 C ATOM 546 O ARG A 37 16.591 0.413 -8.397 1.00 25.00 O ATOM 547 CB ARG A 37 18.027 -1.486 -7.001 1.00 25.00 C ATOM 548 CG ARG A 37 18.586 -2.625 -6.129 1.00 25.00 C ATOM 549 CD ARG A 37 17.719 -2.871 -4.888 1.00 25.00 C ATOM 550 NE ARG A 37 17.724 -1.703 -3.987 1.00 25.00 N ATOM 551 CZ ARG A 37 16.989 -1.573 -2.887 1.00 25.00 C ATOM 552 NH1 ARG A 37 16.151 -2.500 -2.490 1.00 25.00 N ATOM 553 NH2 ARG A 37 17.094 -0.485 -2.177 1.00 25.00 N ATOM 0 H ARG A 37 16.911 -3.925 -8.537 1.00 25.00 H new ATOM 0 HA ARG A 37 16.040 -2.300 -7.263 1.00 25.00 H new ATOM 0 HB2 ARG A 37 18.824 -1.096 -7.633 1.00 25.00 H new ATOM 0 HB3 ARG A 37 17.702 -0.669 -6.357 1.00 25.00 H new ATOM 0 HG2 ARG A 37 18.644 -3.540 -6.719 1.00 25.00 H new ATOM 0 HG3 ARG A 37 19.602 -2.381 -5.820 1.00 25.00 H new ATOM 0 HD2 ARG A 37 16.696 -3.091 -5.195 1.00 25.00 H new ATOM 0 HD3 ARG A 37 18.087 -3.747 -4.353 1.00 25.00 H new ATOM 0 HE ARG A 37 18.344 -0.930 -4.228 1.00 25.00 H new ATOM 0 HH11 ARG A 37 16.046 -3.358 -3.031 1.00 25.00 H new ATOM 0 HH12 ARG A 37 15.604 -2.363 -1.640 1.00 25.00 H new ATOM 0 HH21 ARG A 37 17.734 0.254 -2.468 1.00 25.00 H new ATOM 0 HH22 ARG A 37 16.536 -0.372 -1.331 1.00 25.00 H new ATOM 567 N ARG A 38 15.474 -1.060 -9.668 1.00 25.00 N ATOM 568 CA ARG A 38 14.871 -0.055 -10.544 1.00 25.00 C ATOM 569 C ARG A 38 13.877 0.810 -9.773 1.00 25.00 C ATOM 570 O ARG A 38 13.413 0.429 -8.701 1.00 25.00 O ATOM 571 CB ARG A 38 14.175 -0.740 -11.728 1.00 25.00 C ATOM 572 CG ARG A 38 15.130 -1.574 -12.585 1.00 25.00 C ATOM 573 CD ARG A 38 14.440 -2.120 -13.832 1.00 25.00 C ATOM 574 NE ARG A 38 15.366 -2.930 -14.648 1.00 25.00 N ATOM 575 CZ ARG A 38 15.488 -4.255 -14.602 1.00 25.00 C ATOM 576 NH1 ARG A 38 14.764 -5.003 -13.802 1.00 25.00 N ATOM 577 NH2 ARG A 38 16.353 -4.838 -15.381 1.00 25.00 N ATOM 0 H ARG A 38 15.211 -2.019 -9.894 1.00 25.00 H new ATOM 0 HA ARG A 38 15.662 0.592 -10.923 1.00 25.00 H new ATOM 0 HB2 ARG A 38 13.379 -1.382 -11.352 1.00 25.00 H new ATOM 0 HB3 ARG A 38 13.704 0.018 -12.353 1.00 25.00 H new ATOM 0 HG2 ARG A 38 15.983 -0.962 -12.880 1.00 25.00 H new ATOM 0 HG3 ARG A 38 15.521 -2.402 -11.993 1.00 25.00 H new ATOM 0 HD2 ARG A 38 13.584 -2.728 -13.539 1.00 25.00 H new ATOM 0 HD3 ARG A 38 14.055 -1.293 -14.429 1.00 25.00 H new ATOM 0 HE ARG A 38 15.965 -2.430 -15.305 1.00 25.00 H new ATOM 0 HH11 ARG A 38 14.076 -4.572 -13.184 1.00 25.00 H new ATOM 0 HH12 ARG A 38 14.889 -6.015 -13.798 1.00 25.00 H new ATOM 0 HH21 ARG A 38 16.926 -4.280 -16.015 1.00 25.00 H new ATOM 0 HH22 ARG A 38 16.458 -5.852 -15.357 1.00 25.00 H new ATOM 591 N SER A 39 13.574 1.973 -10.333 1.00 25.00 N ATOM 592 CA SER A 39 12.671 2.942 -9.710 1.00 25.00 C ATOM 593 C SER A 39 11.206 2.482 -9.765 1.00 25.00 C ATOM 594 O SER A 39 10.901 1.455 -10.374 1.00 25.00 O ATOM 595 CB SER A 39 12.824 4.294 -10.418 1.00 25.00 C ATOM 596 OG SER A 39 12.403 5.369 -9.593 1.00 25.00 O ATOM 0 H SER A 39 13.946 2.275 -11.233 1.00 25.00 H new ATOM 0 HA SER A 39 12.941 3.033 -8.658 1.00 25.00 H new ATOM 0 HB2 SER A 39 13.866 4.440 -10.702 1.00 25.00 H new ATOM 0 HB3 SER A 39 12.240 4.291 -11.338 1.00 25.00 H new ATOM 0 HG SER A 39 12.696 5.208 -8.672 1.00 25.00 H new ATOM 602 N ARG A 40 10.335 3.282 -9.146 1.00 25.00 N ATOM 603 CA ARG A 40 8.893 3.047 -8.990 1.00 25.00 C ATOM 604 C ARG A 40 8.566 1.851 -8.112 1.00 25.00 C ATOM 605 O ARG A 40 9.005 0.728 -8.310 1.00 25.00 O ATOM 606 CB ARG A 40 8.179 2.965 -10.339 1.00 25.00 C ATOM 607 CG ARG A 40 6.661 2.990 -10.250 1.00 25.00 C ATOM 608 CD ARG A 40 6.108 1.573 -10.250 1.00 25.00 C ATOM 609 NE ARG A 40 4.642 1.555 -10.113 1.00 25.00 N ATOM 610 CZ ARG A 40 3.882 0.462 -10.098 1.00 25.00 C ATOM 611 NH1 ARG A 40 4.386 -0.742 -10.226 1.00 25.00 N ATOM 612 NH2 ARG A 40 2.592 0.582 -9.948 1.00 25.00 N ATOM 0 H ARG A 40 10.630 4.159 -8.716 1.00 25.00 H new ATOM 0 HA ARG A 40 8.509 3.921 -8.463 1.00 25.00 H new ATOM 0 HB2 ARG A 40 8.508 3.797 -10.961 1.00 25.00 H new ATOM 0 HB3 ARG A 40 8.486 2.049 -10.844 1.00 25.00 H new ATOM 0 HG2 ARG A 40 6.352 3.508 -9.342 1.00 25.00 H new ATOM 0 HG3 ARG A 40 6.250 3.548 -11.091 1.00 25.00 H new ATOM 0 HD2 ARG A 40 6.392 1.073 -11.176 1.00 25.00 H new ATOM 0 HD3 ARG A 40 6.556 1.009 -9.432 1.00 25.00 H new ATOM 0 HE ARG A 40 4.170 2.454 -10.022 1.00 25.00 H new ATOM 0 HH11 ARG A 40 5.392 -0.864 -10.342 1.00 25.00 H new ATOM 0 HH12 ARG A 40 3.772 -1.556 -10.210 1.00 25.00 H new ATOM 0 HH21 ARG A 40 2.175 1.507 -9.844 1.00 25.00 H new ATOM 0 HH22 ARG A 40 2.001 -0.249 -9.935 1.00 25.00 H new ATOM 626 N GLY A 41 7.734 2.133 -7.133 1.00 25.00 N ATOM 627 CA GLY A 41 7.289 1.124 -6.190 1.00 25.00 C ATOM 628 C GLY A 41 6.686 1.814 -4.994 1.00 25.00 C ATOM 629 O GLY A 41 6.912 3.002 -4.807 1.00 25.00 O ATOM 0 H GLY A 41 7.347 3.062 -6.967 1.00 25.00 H new ATOM 0 HA2 GLY A 41 6.555 0.467 -6.657 1.00 25.00 H new ATOM 0 HA3 GLY A 41 8.127 0.498 -5.883 1.00 25.00 H new ATOM 633 N ILE A 42 5.921 1.090 -4.193 1.00 25.00 N ATOM 634 CA ILE A 42 5.199 1.684 -3.065 1.00 25.00 C ATOM 635 C ILE A 42 6.125 2.420 -2.083 1.00 25.00 C ATOM 636 O ILE A 42 5.761 3.463 -1.547 1.00 25.00 O ATOM 637 CB ILE A 42 4.335 0.587 -2.339 1.00 25.00 C ATOM 638 CG1 ILE A 42 3.412 1.210 -1.282 1.00 25.00 C ATOM 639 CG2 ILE A 42 5.220 -0.504 -1.686 1.00 25.00 C ATOM 640 CD1 ILE A 42 2.202 1.917 -1.842 1.00 25.00 C ATOM 0 H ILE A 42 5.780 0.085 -4.299 1.00 25.00 H new ATOM 0 HA ILE A 42 4.532 2.446 -3.468 1.00 25.00 H new ATOM 0 HB ILE A 42 3.721 0.116 -3.106 1.00 25.00 H new ATOM 0 HG12 ILE A 42 3.076 0.425 -0.604 1.00 25.00 H new ATOM 0 HG13 ILE A 42 3.988 1.919 -0.688 1.00 25.00 H new ATOM 0 HG21 ILE A 42 4.585 -1.242 -1.195 1.00 25.00 H new ATOM 0 HG22 ILE A 42 5.819 -0.994 -2.453 1.00 25.00 H new ATOM 0 HG23 ILE A 42 5.879 -0.045 -0.949 1.00 25.00 H new ATOM 0 HD11 ILE A 42 1.608 2.325 -1.024 1.00 25.00 H new ATOM 0 HD12 ILE A 42 2.524 2.727 -2.496 1.00 25.00 H new ATOM 0 HD13 ILE A 42 1.598 1.210 -2.411 1.00 25.00 H new ATOM 652 N VAL A 43 7.341 1.929 -1.891 1.00 25.00 N ATOM 653 CA VAL A 43 8.270 2.582 -0.969 1.00 25.00 C ATOM 654 C VAL A 43 8.643 3.981 -1.472 1.00 25.00 C ATOM 655 O VAL A 43 8.851 4.895 -0.686 1.00 25.00 O ATOM 656 CB VAL A 43 9.549 1.702 -0.731 1.00 25.00 C ATOM 657 CG1 VAL A 43 10.473 1.675 -1.966 1.00 25.00 C ATOM 658 CG2 VAL A 43 10.323 2.195 0.485 1.00 25.00 C ATOM 0 H VAL A 43 7.707 1.095 -2.351 1.00 25.00 H new ATOM 0 HA VAL A 43 7.767 2.694 -0.008 1.00 25.00 H new ATOM 0 HB VAL A 43 9.205 0.684 -0.550 1.00 25.00 H new ATOM 0 HG11 VAL A 43 11.344 1.055 -1.755 1.00 25.00 H new ATOM 0 HG12 VAL A 43 9.931 1.262 -2.817 1.00 25.00 H new ATOM 0 HG13 VAL A 43 10.798 2.689 -2.200 1.00 25.00 H new ATOM 0 HG21 VAL A 43 11.205 1.572 0.632 1.00 25.00 H new ATOM 0 HG22 VAL A 43 10.631 3.228 0.326 1.00 25.00 H new ATOM 0 HG23 VAL A 43 9.687 2.138 1.369 1.00 25.00 H new ATOM 668 N GLU A 44 8.700 4.171 -2.779 1.00 25.00 N ATOM 669 CA GLU A 44 9.092 5.460 -3.323 1.00 25.00 C ATOM 670 C GLU A 44 7.967 6.465 -3.222 1.00 25.00 C ATOM 671 O GLU A 44 8.207 7.652 -3.054 1.00 25.00 O ATOM 672 CB GLU A 44 9.527 5.323 -4.773 1.00 25.00 C ATOM 673 CG GLU A 44 10.911 5.892 -5.005 1.00 25.00 C ATOM 674 CD GLU A 44 11.280 5.921 -6.462 1.00 25.00 C ATOM 675 OE1 GLU A 44 10.536 5.606 -7.347 1.00 25.00 O ATOM 676 OE2 GLU A 44 12.486 6.301 -6.683 1.00 25.00 O ATOM 0 H GLU A 44 8.483 3.459 -3.476 1.00 25.00 H new ATOM 0 HA GLU A 44 9.933 5.821 -2.731 1.00 25.00 H new ATOM 0 HB2 GLU A 44 9.515 4.271 -5.057 1.00 25.00 H new ATOM 0 HB3 GLU A 44 8.812 5.835 -5.416 1.00 25.00 H new ATOM 0 HG2 GLU A 44 10.958 6.903 -4.601 1.00 25.00 H new ATOM 0 HG3 GLU A 44 11.642 5.296 -4.459 1.00 25.00 H new ATOM 683 N GLU A 45 6.739 5.989 -3.320 1.00 25.00 N ATOM 684 CA GLU A 45 5.599 6.890 -3.282 1.00 25.00 C ATOM 685 C GLU A 45 5.193 7.251 -1.860 1.00 25.00 C ATOM 686 O GLU A 45 4.629 8.304 -1.641 1.00 25.00 O ATOM 687 CB GLU A 45 4.397 6.292 -4.019 1.00 25.00 C ATOM 688 CG GLU A 45 4.711 5.665 -5.388 1.00 25.00 C ATOM 689 CD GLU A 45 5.684 6.484 -6.234 1.00 25.00 C ATOM 690 OE1 GLU A 45 6.609 5.871 -6.817 1.00 25.00 O ATOM 691 OE2 GLU A 45 5.560 7.728 -6.304 1.00 25.00 O ATOM 0 H GLU A 45 6.506 5.001 -3.425 1.00 25.00 H new ATOM 0 HA GLU A 45 5.915 7.803 -3.786 1.00 25.00 H new ATOM 0 HB2 GLU A 45 3.945 5.530 -3.384 1.00 25.00 H new ATOM 0 HB3 GLU A 45 3.651 7.075 -4.159 1.00 25.00 H new ATOM 0 HG2 GLU A 45 5.127 4.670 -5.234 1.00 25.00 H new ATOM 0 HG3 GLU A 45 3.780 5.539 -5.941 1.00 25.00 H new ATOM 698 N CYS A 46 5.462 6.366 -0.905 1.00 25.00 N ATOM 699 CA CYS A 46 5.039 6.589 0.482 1.00 25.00 C ATOM 700 C CYS A 46 6.147 6.945 1.483 1.00 25.00 C ATOM 701 O CYS A 46 5.877 7.624 2.465 1.00 25.00 O ATOM 702 CB CYS A 46 4.310 5.351 0.994 1.00 25.00 C ATOM 703 SG CYS A 46 2.733 4.999 0.149 1.00 25.00 S ATOM 0 H CYS A 46 5.967 5.493 -1.059 1.00 25.00 H new ATOM 0 HA CYS A 46 4.399 7.470 0.431 1.00 25.00 H new ATOM 0 HB2 CYS A 46 4.966 4.488 0.886 1.00 25.00 H new ATOM 0 HB3 CYS A 46 4.117 5.473 2.060 1.00 25.00 H new ATOM 708 N CYS A 47 7.377 6.490 1.266 1.00 25.00 N ATOM 709 CA CYS A 47 8.469 6.825 2.191 1.00 25.00 C ATOM 710 C CYS A 47 9.247 8.041 1.701 1.00 25.00 C ATOM 711 O CYS A 47 9.641 8.891 2.487 1.00 25.00 O ATOM 712 CB CYS A 47 9.451 5.660 2.344 1.00 25.00 C ATOM 713 SG CYS A 47 8.730 4.138 3.032 1.00 25.00 S ATOM 0 H CYS A 47 7.646 5.901 0.478 1.00 25.00 H new ATOM 0 HA CYS A 47 8.006 7.041 3.154 1.00 25.00 H new ATOM 0 HB2 CYS A 47 9.879 5.433 1.367 1.00 25.00 H new ATOM 0 HB3 CYS A 47 10.273 5.978 2.986 1.00 25.00 H new ATOM 718 N PHE A 48 9.504 8.092 0.400 1.00 25.00 N ATOM 719 CA PHE A 48 10.294 9.179 -0.188 1.00 25.00 C ATOM 720 C PHE A 48 9.397 10.333 -0.633 1.00 25.00 C ATOM 721 O PHE A 48 9.854 11.458 -0.823 1.00 25.00 O ATOM 722 CB PHE A 48 11.096 8.650 -1.379 1.00 25.00 C ATOM 723 CG PHE A 48 12.206 7.712 -0.994 1.00 25.00 C ATOM 724 CD1 PHE A 48 11.987 6.323 -0.945 1.00 25.00 C ATOM 725 CD2 PHE A 48 13.484 8.211 -0.687 1.00 25.00 C ATOM 726 CE1 PHE A 48 13.030 5.436 -0.608 1.00 25.00 C ATOM 727 CE2 PHE A 48 14.540 7.334 -0.335 1.00 25.00 C ATOM 728 CZ PHE A 48 14.311 5.942 -0.301 1.00 25.00 C ATOM 0 H PHE A 48 9.180 7.396 -0.272 1.00 25.00 H new ATOM 0 HA PHE A 48 10.978 9.556 0.572 1.00 25.00 H new ATOM 0 HB2 PHE A 48 10.419 8.136 -2.062 1.00 25.00 H new ATOM 0 HB3 PHE A 48 11.519 9.494 -1.924 1.00 25.00 H new ATOM 0 HD1 PHE A 48 11.006 5.931 -1.169 1.00 25.00 H new ATOM 0 HD2 PHE A 48 13.663 9.276 -0.720 1.00 25.00 H new ATOM 0 HE1 PHE A 48 12.849 4.372 -0.585 1.00 25.00 H new ATOM 0 HE2 PHE A 48 15.516 7.729 -0.094 1.00 25.00 H new ATOM 0 HZ PHE A 48 15.113 5.267 -0.041 1.00 25.00 H new ATOM 738 N ARG A 49 8.113 10.042 -0.779 1.00 25.00 N ATOM 739 CA ARG A 49 7.090 11.039 -1.107 1.00 25.00 C ATOM 740 C ARG A 49 5.915 10.743 -0.194 1.00 25.00 C ATOM 741 O ARG A 49 5.939 9.753 0.515 1.00 25.00 O ATOM 742 CB ARG A 49 6.660 10.916 -2.573 1.00 25.00 C ATOM 743 CG ARG A 49 7.705 11.421 -3.547 1.00 25.00 C ATOM 744 CD ARG A 49 7.208 11.381 -4.994 1.00 25.00 C ATOM 745 NE ARG A 49 7.311 10.040 -5.605 1.00 25.00 N ATOM 746 CZ ARG A 49 8.401 9.535 -6.171 1.00 25.00 C ATOM 747 NH1 ARG A 49 9.540 10.190 -6.213 1.00 25.00 N ATOM 748 NH2 ARG A 49 8.347 8.356 -6.715 1.00 25.00 N ATOM 0 H ARG A 49 7.742 9.098 -0.673 1.00 25.00 H new ATOM 0 HA ARG A 49 7.468 12.052 -0.968 1.00 25.00 H new ATOM 0 HB2 ARG A 49 6.442 9.871 -2.794 1.00 25.00 H new ATOM 0 HB3 ARG A 49 5.735 11.473 -2.721 1.00 25.00 H new ATOM 0 HG2 ARG A 49 7.980 12.443 -3.286 1.00 25.00 H new ATOM 0 HG3 ARG A 49 8.607 10.816 -3.457 1.00 25.00 H new ATOM 0 HD2 ARG A 49 6.169 11.709 -5.024 1.00 25.00 H new ATOM 0 HD3 ARG A 49 7.783 12.090 -5.589 1.00 25.00 H new ATOM 0 HE ARG A 49 6.476 9.454 -5.591 1.00 25.00 H new ATOM 0 HH11 ARG A 49 9.609 11.121 -5.801 1.00 25.00 H new ATOM 0 HH12 ARG A 49 10.355 9.767 -6.657 1.00 25.00 H new ATOM 0 HH21 ARG A 49 7.474 7.829 -6.704 1.00 25.00 H new ATOM 0 HH22 ARG A 49 9.178 7.958 -7.153 1.00 25.00 H new ATOM 762 N SER A 50 4.893 11.580 -0.229 1.00 25.00 N ATOM 763 CA SER A 50 3.654 11.314 0.496 1.00 25.00 C ATOM 764 C SER A 50 2.716 10.574 -0.456 1.00 25.00 C ATOM 765 O SER A 50 2.750 10.820 -1.662 1.00 25.00 O ATOM 766 CB SER A 50 3.019 12.634 0.916 1.00 25.00 C ATOM 767 OG SER A 50 2.855 13.475 -0.215 1.00 25.00 O ATOM 0 H SER A 50 4.893 12.455 -0.753 1.00 25.00 H new ATOM 0 HA SER A 50 3.846 10.718 1.388 1.00 25.00 H new ATOM 0 HB2 SER A 50 2.053 12.449 1.385 1.00 25.00 H new ATOM 0 HB3 SER A 50 3.645 13.128 1.659 1.00 25.00 H new ATOM 0 HG SER A 50 2.445 14.321 0.063 1.00 25.00 H new ATOM 773 N CYS A 51 1.858 9.707 0.071 1.00 25.00 N ATOM 774 CA CYS A 51 0.928 8.944 -0.761 1.00 25.00 C ATOM 775 C CYS A 51 -0.486 8.976 -0.188 1.00 25.00 C ATOM 776 O CYS A 51 -0.691 9.350 0.961 1.00 25.00 O ATOM 777 CB CYS A 51 1.419 7.500 -0.908 1.00 25.00 C ATOM 778 SG CYS A 51 1.532 6.562 0.646 1.00 25.00 S ATOM 0 H CYS A 51 1.785 9.514 1.070 1.00 25.00 H new ATOM 0 HA CYS A 51 0.894 9.408 -1.747 1.00 25.00 H new ATOM 0 HB2 CYS A 51 0.748 6.972 -1.585 1.00 25.00 H new ATOM 0 HB3 CYS A 51 2.402 7.513 -1.379 1.00 25.00 H new ATOM 783 N ASP A 52 -1.459 8.608 -1.013 1.00 25.00 N ATOM 784 CA ASP A 52 -2.877 8.663 -0.643 1.00 25.00 C ATOM 785 C ASP A 52 -3.523 7.295 -0.817 1.00 25.00 C ATOM 786 O ASP A 52 -2.960 6.424 -1.471 1.00 25.00 O ATOM 787 CB ASP A 52 -3.597 9.685 -1.525 1.00 25.00 C ATOM 788 CG ASP A 52 -3.087 11.078 -1.317 1.00 25.00 C ATOM 789 OD1 ASP A 52 -2.572 11.730 -2.171 1.00 25.00 O ATOM 790 OD2 ASP A 52 -3.245 11.509 -0.117 1.00 25.00 O ATOM 0 H ASP A 52 -1.292 8.262 -1.958 1.00 25.00 H new ATOM 0 HA ASP A 52 -2.957 8.960 0.403 1.00 25.00 H new ATOM 0 HB2 ASP A 52 -3.474 9.408 -2.572 1.00 25.00 H new ATOM 0 HB3 ASP A 52 -4.666 9.656 -1.312 1.00 25.00 H new ATOM 795 N LEU A 53 -4.717 7.125 -0.259 1.00 25.00 N ATOM 796 CA LEU A 53 -5.430 5.840 -0.276 1.00 25.00 C ATOM 797 C LEU A 53 -5.616 5.231 -1.669 1.00 25.00 C ATOM 798 O LEU A 53 -5.322 4.061 -1.875 1.00 25.00 O ATOM 799 CB LEU A 53 -6.809 6.032 0.374 1.00 25.00 C ATOM 800 CG LEU A 53 -7.738 4.806 0.443 1.00 25.00 C ATOM 801 CD1 LEU A 53 -7.137 3.694 1.280 1.00 25.00 C ATOM 802 CD2 LEU A 53 -9.084 5.223 1.032 1.00 25.00 C ATOM 0 H LEU A 53 -5.223 7.870 0.219 1.00 25.00 H new ATOM 0 HA LEU A 53 -4.807 5.138 0.278 1.00 25.00 H new ATOM 0 HB2 LEU A 53 -6.655 6.395 1.390 1.00 25.00 H new ATOM 0 HB3 LEU A 53 -7.331 6.819 -0.170 1.00 25.00 H new ATOM 0 HG LEU A 53 -7.872 4.425 -0.569 1.00 25.00 H new ATOM 0 HD11 LEU A 53 -7.822 2.846 1.305 1.00 25.00 H new ATOM 0 HD12 LEU A 53 -6.189 3.381 0.843 1.00 25.00 H new ATOM 0 HD13 LEU A 53 -6.968 4.053 2.295 1.00 25.00 H new ATOM 0 HD21 LEU A 53 -9.743 4.357 1.082 1.00 25.00 H new ATOM 0 HD22 LEU A 53 -8.934 5.623 2.035 1.00 25.00 H new ATOM 0 HD23 LEU A 53 -9.536 5.987 0.400 1.00 25.00 H new ATOM 814 N ALA A 54 -6.094 6.024 -2.621 1.00 25.00 N ATOM 815 CA ALA A 54 -6.351 5.523 -3.973 1.00 25.00 C ATOM 816 C ALA A 54 -5.065 5.011 -4.625 1.00 25.00 C ATOM 817 O ALA A 54 -5.051 3.968 -5.259 1.00 25.00 O ATOM 818 CB ALA A 54 -6.978 6.634 -4.823 1.00 25.00 C ATOM 0 H ALA A 54 -6.312 7.011 -2.487 1.00 25.00 H new ATOM 0 HA ALA A 54 -7.045 4.685 -3.907 1.00 25.00 H new ATOM 0 HB1 ALA A 54 -7.168 6.259 -5.829 1.00 25.00 H new ATOM 0 HB2 ALA A 54 -7.917 6.952 -4.370 1.00 25.00 H new ATOM 0 HB3 ALA A 54 -6.295 7.482 -4.875 1.00 25.00 H new ATOM 824 N LEU A 55 -3.981 5.743 -4.432 1.00 25.00 N ATOM 825 CA LEU A 55 -2.679 5.346 -4.961 1.00 25.00 C ATOM 826 C LEU A 55 -2.208 4.065 -4.277 1.00 25.00 C ATOM 827 O LEU A 55 -1.748 3.135 -4.926 1.00 25.00 O ATOM 828 CB LEU A 55 -1.685 6.490 -4.728 1.00 25.00 C ATOM 829 CG LEU A 55 -0.180 6.186 -4.647 1.00 25.00 C ATOM 830 CD1 LEU A 55 0.370 5.467 -5.868 1.00 25.00 C ATOM 831 CD2 LEU A 55 0.539 7.510 -4.465 1.00 25.00 C ATOM 0 H LEU A 55 -3.973 6.620 -3.911 1.00 25.00 H new ATOM 0 HA LEU A 55 -2.751 5.147 -6.030 1.00 25.00 H new ATOM 0 HB2 LEU A 55 -1.828 7.214 -5.530 1.00 25.00 H new ATOM 0 HB3 LEU A 55 -1.968 6.983 -3.798 1.00 25.00 H new ATOM 0 HG LEU A 55 -0.017 5.507 -3.810 1.00 25.00 H new ATOM 0 HD11 LEU A 55 1.437 5.288 -5.735 1.00 25.00 H new ATOM 0 HD12 LEU A 55 -0.145 4.514 -5.992 1.00 25.00 H new ATOM 0 HD13 LEU A 55 0.213 6.082 -6.754 1.00 25.00 H new ATOM 0 HD21 LEU A 55 1.613 7.335 -4.403 1.00 25.00 H new ATOM 0 HD22 LEU A 55 0.325 8.160 -5.314 1.00 25.00 H new ATOM 0 HD23 LEU A 55 0.196 7.987 -3.547 1.00 25.00 H new ATOM 843 N LEU A 56 -2.345 4.007 -2.965 1.00 25.00 N ATOM 844 CA LEU A 56 -1.892 2.848 -2.206 1.00 25.00 C ATOM 845 C LEU A 56 -2.625 1.571 -2.637 1.00 25.00 C ATOM 846 O LEU A 56 -2.032 0.497 -2.727 1.00 25.00 O ATOM 847 CB LEU A 56 -2.078 3.128 -0.714 1.00 25.00 C ATOM 848 CG LEU A 56 -1.164 2.301 0.195 1.00 25.00 C ATOM 849 CD1 LEU A 56 -0.655 3.165 1.345 1.00 25.00 C ATOM 850 CD2 LEU A 56 -1.882 1.096 0.744 1.00 25.00 C ATOM 0 H LEU A 56 -2.765 4.746 -2.401 1.00 25.00 H new ATOM 0 HA LEU A 56 -0.834 2.678 -2.408 1.00 25.00 H new ATOM 0 HB2 LEU A 56 -1.896 4.187 -0.528 1.00 25.00 H new ATOM 0 HB3 LEU A 56 -3.116 2.931 -0.445 1.00 25.00 H new ATOM 0 HG LEU A 56 -0.322 1.952 -0.402 1.00 25.00 H new ATOM 0 HD11 LEU A 56 -0.006 2.570 1.987 1.00 25.00 H new ATOM 0 HD12 LEU A 56 -0.094 4.010 0.945 1.00 25.00 H new ATOM 0 HD13 LEU A 56 -1.501 3.533 1.926 1.00 25.00 H new ATOM 0 HD21 LEU A 56 -1.206 0.530 1.385 1.00 25.00 H new ATOM 0 HD22 LEU A 56 -2.746 1.420 1.324 1.00 25.00 H new ATOM 0 HD23 LEU A 56 -2.215 0.464 -0.080 1.00 25.00 H new ATOM 862 N GLU A 57 -3.895 1.721 -2.985 1.00 25.00 N ATOM 863 CA GLU A 57 -4.729 0.620 -3.463 1.00 25.00 C ATOM 864 C GLU A 57 -4.214 -0.013 -4.762 1.00 25.00 C ATOM 865 O GLU A 57 -4.449 -1.187 -5.021 1.00 25.00 O ATOM 866 CB GLU A 57 -6.144 1.162 -3.690 1.00 25.00 C ATOM 867 CG GLU A 57 -7.211 0.106 -3.904 1.00 25.00 C ATOM 868 CD GLU A 57 -8.586 0.701 -4.035 1.00 25.00 C ATOM 869 OE1 GLU A 57 -8.824 1.873 -3.943 1.00 25.00 O ATOM 870 OE2 GLU A 57 -9.504 -0.168 -4.268 1.00 25.00 O ATOM 0 H GLU A 57 -4.382 2.616 -2.944 1.00 25.00 H new ATOM 0 HA GLU A 57 -4.710 -0.165 -2.708 1.00 25.00 H new ATOM 0 HB2 GLU A 57 -6.425 1.771 -2.831 1.00 25.00 H new ATOM 0 HB3 GLU A 57 -6.129 1.822 -4.557 1.00 25.00 H new ATOM 0 HG2 GLU A 57 -6.978 -0.466 -4.802 1.00 25.00 H new ATOM 0 HG3 GLU A 57 -7.199 -0.594 -3.069 1.00 25.00 H new ATOM 878 N THR A 58 -3.495 0.747 -5.572 1.00 25.00 N ATOM 879 CA THR A 58 -2.993 0.234 -6.852 1.00 25.00 C ATOM 880 C THR A 58 -1.918 -0.841 -6.685 1.00 25.00 C ATOM 881 O THR A 58 -1.582 -1.542 -7.635 1.00 25.00 O ATOM 882 CB THR A 58 -2.458 1.361 -7.758 1.00 25.00 C ATOM 883 OG1 THR A 58 -1.247 1.895 -7.220 1.00 25.00 O ATOM 884 CG2 THR A 58 -3.485 2.483 -7.868 1.00 25.00 C ATOM 0 H THR A 58 -3.243 1.716 -5.375 1.00 25.00 H new ATOM 0 HA THR A 58 -3.856 -0.227 -7.332 1.00 25.00 H new ATOM 0 HB THR A 58 -2.267 0.942 -8.746 1.00 25.00 H new ATOM 0 HG1 THR A 58 -1.456 2.484 -6.465 1.00 25.00 H new ATOM 0 HG21 THR A 58 -3.094 3.272 -8.510 1.00 25.00 H new ATOM 0 HG22 THR A 58 -4.408 2.091 -8.295 1.00 25.00 H new ATOM 0 HG23 THR A 58 -3.688 2.889 -6.877 1.00 25.00 H new ATOM 892 N TYR A 59 -1.374 -0.963 -5.479 1.00 25.00 N ATOM 893 CA TYR A 59 -0.359 -1.977 -5.185 1.00 25.00 C ATOM 894 C TYR A 59 -0.981 -3.247 -4.588 1.00 25.00 C ATOM 895 O TYR A 59 -0.268 -4.146 -4.119 1.00 25.00 O ATOM 896 CB TYR A 59 0.715 -1.391 -4.268 1.00 25.00 C ATOM 897 CG TYR A 59 1.599 -0.392 -4.992 1.00 25.00 C ATOM 898 CD1 TYR A 59 1.281 0.982 -5.015 1.00 25.00 C ATOM 899 CD2 TYR A 59 2.755 -0.825 -5.675 1.00 25.00 C ATOM 900 CE1 TYR A 59 2.112 1.911 -5.701 1.00 25.00 C ATOM 901 CE2 TYR A 59 3.580 0.100 -6.370 1.00 25.00 C ATOM 902 CZ TYR A 59 3.252 1.459 -6.369 1.00 25.00 C ATOM 903 OH TYR A 59 4.060 2.350 -7.032 1.00 25.00 O ATOM 0 H TYR A 59 -1.618 -0.372 -4.684 1.00 25.00 H new ATOM 0 HA TYR A 59 0.112 -2.272 -6.123 1.00 25.00 H new ATOM 0 HB2 TYR A 59 0.239 -0.903 -3.417 1.00 25.00 H new ATOM 0 HB3 TYR A 59 1.331 -2.197 -3.869 1.00 25.00 H new ATOM 0 HD1 TYR A 59 0.396 1.333 -4.506 1.00 25.00 H new ATOM 0 HD2 TYR A 59 3.016 -1.873 -5.670 1.00 25.00 H new ATOM 0 HE1 TYR A 59 1.862 2.962 -5.705 1.00 25.00 H new ATOM 0 HE2 TYR A 59 4.457 -0.246 -6.897 1.00 25.00 H new ATOM 0 HH TYR A 59 4.810 1.870 -7.441 1.00 25.00 H new ATOM 913 N CYS A 60 -2.302 -3.353 -4.680 1.00 25.00 N ATOM 914 CA CYS A 60 -3.008 -4.591 -4.353 1.00 25.00 C ATOM 915 C CYS A 60 -2.552 -5.715 -5.289 1.00 25.00 C ATOM 916 O CYS A 60 -1.973 -5.469 -6.347 1.00 25.00 O ATOM 917 CB CYS A 60 -4.516 -4.398 -4.527 1.00 25.00 C ATOM 918 SG CYS A 60 -5.369 -3.784 -3.043 1.00 25.00 S ATOM 0 H CYS A 60 -2.911 -2.592 -4.980 1.00 25.00 H new ATOM 0 HA CYS A 60 -2.784 -4.852 -3.319 1.00 25.00 H new ATOM 0 HB2 CYS A 60 -4.689 -3.700 -5.346 1.00 25.00 H new ATOM 0 HB3 CYS A 60 -4.961 -5.349 -4.820 1.00 25.00 H new ATOM 923 N ALA A 61 -2.817 -6.953 -4.901 1.00 25.00 N ATOM 924 CA ALA A 61 -2.465 -8.094 -5.730 1.00 25.00 C ATOM 925 C ALA A 61 -3.444 -8.236 -6.897 1.00 25.00 C ATOM 926 O ALA A 61 -4.545 -7.692 -6.864 1.00 25.00 O ATOM 927 CB ALA A 61 -2.452 -9.366 -4.891 1.00 25.00 C ATOM 0 H ALA A 61 -3.273 -7.192 -4.020 1.00 25.00 H new ATOM 0 HA ALA A 61 -1.468 -7.931 -6.139 1.00 25.00 H new ATOM 0 HB1 ALA A 61 -2.187 -10.215 -5.521 1.00 25.00 H new ATOM 0 HB2 ALA A 61 -1.719 -9.266 -4.090 1.00 25.00 H new ATOM 0 HB3 ALA A 61 -3.440 -9.528 -4.461 1.00 25.00 H new ATOM 933 N THR A 62 -3.011 -9.022 -7.884 1.00 25.00 N ATOM 934 CA THR A 62 -3.732 -9.318 -9.143 1.00 25.00 C ATOM 935 C THR A 62 -3.789 -8.089 -10.065 1.00 25.00 C ATOM 936 O THR A 62 -3.675 -6.954 -9.614 1.00 25.00 O ATOM 937 CB THR A 62 -5.172 -9.933 -8.929 1.00 25.00 C ATOM 938 OG1 THR A 62 -6.105 -8.921 -8.558 1.00 25.00 O ATOM 939 CG2 THR A 62 -5.166 -11.014 -7.846 1.00 25.00 C ATOM 0 H THR A 62 -2.109 -9.495 -7.835 1.00 25.00 H new ATOM 0 HA THR A 62 -3.145 -10.094 -9.634 1.00 25.00 H new ATOM 0 HB THR A 62 -5.469 -10.380 -9.878 1.00 25.00 H new ATOM 0 HG1 THR A 62 -5.635 -8.198 -8.091 1.00 25.00 H new ATOM 0 HG21 THR A 62 -6.173 -11.414 -7.726 1.00 25.00 H new ATOM 0 HG22 THR A 62 -4.489 -11.817 -8.137 1.00 25.00 H new ATOM 0 HG23 THR A 62 -4.832 -10.582 -6.902 1.00 25.00 H new ATOM 947 N PRO A 63 -3.875 -8.307 -11.392 1.00 25.00 N ATOM 948 CA PRO A 63 -3.867 -7.118 -12.250 1.00 25.00 C ATOM 949 C PRO A 63 -5.154 -6.316 -12.172 1.00 25.00 C ATOM 950 O PRO A 63 -6.217 -6.842 -11.836 1.00 25.00 O ATOM 951 CB PRO A 63 -3.686 -7.703 -13.649 1.00 25.00 C ATOM 952 CG PRO A 63 -4.309 -9.049 -13.565 1.00 25.00 C ATOM 953 CD PRO A 63 -3.949 -9.548 -12.187 1.00 25.00 C ATOM 0 HA PRO A 63 -3.090 -6.413 -11.954 1.00 25.00 H new ATOM 0 HB2 PRO A 63 -4.172 -7.086 -14.405 1.00 25.00 H new ATOM 0 HB3 PRO A 63 -2.632 -7.768 -13.920 1.00 25.00 H new ATOM 0 HG2 PRO A 63 -5.390 -8.995 -13.698 1.00 25.00 H new ATOM 0 HG3 PRO A 63 -3.926 -9.713 -14.340 1.00 25.00 H new ATOM 0 HD2 PRO A 63 -4.702 -10.233 -11.797 1.00 25.00 H new ATOM 0 HD3 PRO A 63 -3.000 -10.084 -12.187 1.00 25.00 H new ATOM 961 N ALA A 64 -5.052 -5.041 -12.515 1.00 25.00 N ATOM 962 CA ALA A 64 -6.211 -4.164 -12.523 1.00 25.00 C ATOM 963 C ALA A 64 -7.207 -4.691 -13.560 1.00 25.00 C ATOM 964 O ALA A 64 -6.858 -4.892 -14.722 1.00 25.00 O ATOM 965 CB ALA A 64 -5.789 -2.722 -12.853 1.00 25.00 C ATOM 0 H ALA A 64 -4.179 -4.592 -12.791 1.00 25.00 H new ATOM 0 HA ALA A 64 -6.679 -4.153 -11.539 1.00 25.00 H new ATOM 0 HB1 ALA A 64 -6.668 -2.077 -12.855 1.00 25.00 H new ATOM 0 HB2 ALA A 64 -5.082 -2.369 -12.102 1.00 25.00 H new ATOM 0 HB3 ALA A 64 -5.318 -2.697 -13.836 1.00 25.00 H new ATOM 971 N LYS A 65 -8.435 -4.931 -13.123 1.00 25.00 N ATOM 972 CA LYS A 65 -9.478 -5.477 -13.996 1.00 25.00 C ATOM 973 C LYS A 65 -10.758 -4.667 -13.847 1.00 25.00 C ATOM 974 O LYS A 65 -11.851 -5.115 -14.184 1.00 25.00 O ATOM 975 CB LYS A 65 -9.704 -6.954 -13.657 1.00 25.00 C ATOM 976 CG LYS A 65 -10.112 -7.798 -14.858 1.00 25.00 C ATOM 977 CD LYS A 65 -10.219 -9.267 -14.485 1.00 25.00 C ATOM 978 CE LYS A 65 -10.550 -10.108 -15.716 1.00 25.00 C ATOM 979 NZ LYS A 65 -10.674 -11.568 -15.374 1.00 25.00 N ATOM 0 H LYS A 65 -8.740 -4.757 -12.165 1.00 25.00 H new ATOM 0 HA LYS A 65 -9.163 -5.410 -15.037 1.00 25.00 H new ATOM 0 HB2 LYS A 65 -8.790 -7.364 -13.229 1.00 25.00 H new ATOM 0 HB3 LYS A 65 -10.476 -7.029 -12.891 1.00 25.00 H new ATOM 0 HG2 LYS A 65 -11.069 -7.447 -15.244 1.00 25.00 H new ATOM 0 HG3 LYS A 65 -9.381 -7.675 -15.657 1.00 25.00 H new ATOM 0 HD2 LYS A 65 -9.280 -9.606 -14.047 1.00 25.00 H new ATOM 0 HD3 LYS A 65 -10.991 -9.401 -13.727 1.00 25.00 H new ATOM 0 HE2 LYS A 65 -11.483 -9.757 -16.157 1.00 25.00 H new ATOM 0 HE3 LYS A 65 -9.772 -9.975 -16.468 1.00 25.00 H new ATOM 0 HZ1 LYS A 65 -10.899 -12.108 -16.234 1.00 25.00 H new ATOM 0 HZ2 LYS A 65 -9.776 -11.909 -14.976 1.00 25.00 H new ATOM 0 HZ3 LYS A 65 -11.433 -11.698 -14.675 1.00 25.00 H new ATOM 993 N SER A 66 -10.610 -3.473 -13.301 1.00 25.00 N ATOM 994 CA SER A 66 -11.719 -2.549 -13.096 1.00 25.00 C ATOM 995 C SER A 66 -11.094 -1.168 -13.086 1.00 25.00 C ATOM 996 O SER A 66 -9.942 -1.028 -12.689 1.00 25.00 O ATOM 997 CB SER A 66 -12.410 -2.821 -11.759 1.00 25.00 C ATOM 998 OG SER A 66 -12.942 -4.135 -11.731 1.00 25.00 O ATOM 0 H SER A 66 -9.711 -3.111 -12.984 1.00 25.00 H new ATOM 0 HA SER A 66 -12.476 -2.653 -13.873 1.00 25.00 H new ATOM 0 HB2 SER A 66 -11.699 -2.693 -10.943 1.00 25.00 H new ATOM 0 HB3 SER A 66 -13.209 -2.096 -11.602 1.00 25.00 H new ATOM 0 HG SER A 66 -13.379 -4.293 -10.868 1.00 25.00 H new ATOM 1004 N GLU A 67 -11.847 -0.161 -13.555 1.00 25.00 N ATOM 1005 CA GLU A 67 -11.377 1.243 -13.648 1.00 25.00 C ATOM 1006 C GLU A 67 -10.005 1.359 -14.351 1.00 25.00 C ATOM 1007 O GLU A 67 -9.991 0.824 -15.528 1.00 25.00 O ATOM 1008 CB GLU A 67 -11.412 1.953 -12.265 1.00 25.00 C ATOM 1009 CG GLU A 67 -12.854 2.036 -11.717 1.00 25.00 C ATOM 1010 CD GLU A 67 -12.911 2.817 -10.424 1.00 25.00 C ATOM 1011 OE1 GLU A 67 -11.941 3.215 -9.828 1.00 25.00 O ATOM 1012 OE2 GLU A 67 -14.125 3.014 -10.004 1.00 25.00 O ATOM 0 H GLU A 67 -12.804 -0.291 -13.883 1.00 25.00 H new ATOM 0 HA GLU A 67 -12.081 1.776 -14.287 1.00 25.00 H new ATOM 0 HB2 GLU A 67 -10.782 1.411 -11.559 1.00 25.00 H new ATOM 0 HB3 GLU A 67 -10.997 2.957 -12.358 1.00 25.00 H new ATOM 0 HG2 GLU A 67 -13.499 2.509 -12.458 1.00 25.00 H new ATOM 0 HG3 GLU A 67 -13.241 1.030 -11.553 1.00 25.00 H new TER 1019 GLU A 67