USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 394 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 ARG N :NH3+ 178:sc= 0 (180deg=-0.00344) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 170:sc= 0 USER MOD Single : A 20 SER OG : rot -90:sc= 0.484 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 40:sc= -0.441 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 25 GLN :FLIP amide:sc= 0.591 F(o=-1.3,f=0.59) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -41:sc= 0.0861 USER MOD Single : A 28 ASN : amide:sc= -0.403 X(o=-0.4,f=-0.67) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.11 USER MOD Single : A 31 HIS : no HD1:sc= -0.0959 X(o=-0.096,f=-0.012) USER MOD Single : A 32 SER OG : rot 180:sc= 0.00142 USER MOD Single : A 34 THR OG1 : rot 37:sc= 0.0777 USER MOD Single : A 35 TYR OH : rot 25:sc= 0.41 USER MOD Single : A 36 SER OG : rot 153:sc= 0.917 USER MOD Single : A 41 ASN : amide:sc= -0.676! C(o=-0.68!,f=-1.4!) USER MOD Single : A 43 ASN : amide:sc= -0.459 K(o=-0.46,f=-3.8!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.933 X(o=-0.93,f=-1.2) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 12.289 -5.488 2.439 1.00 0.00 N ATOM 2 CA ARG A 1 10.857 -5.215 2.312 1.00 0.00 C ATOM 3 C ARG A 1 10.063 -6.309 3.032 1.00 0.00 C ATOM 4 O ARG A 1 10.285 -7.492 2.771 1.00 0.00 O ATOM 5 CB ARG A 1 10.474 -5.026 0.847 1.00 0.00 C ATOM 6 CG ARG A 1 10.803 -6.134 -0.166 1.00 0.00 C ATOM 7 CD ARG A 1 11.757 -5.648 -1.276 1.00 0.00 C ATOM 8 NE ARG A 1 13.181 -5.899 -1.014 1.00 0.00 N ATOM 9 CZ ARG A 1 13.814 -7.058 -1.258 1.00 0.00 C ATOM 10 NH1 ARG A 1 13.120 -8.158 -1.573 1.00 0.00 N ATOM 11 NH2 ARG A 1 15.143 -7.100 -1.183 1.00 0.00 N ATOM 0 H1 ARG A 1 12.828 -4.764 1.922 1.00 0.00 H new ATOM 0 H2 ARG A 1 12.558 -5.468 3.443 1.00 0.00 H new ATOM 0 H3 ARG A 1 12.500 -6.426 2.042 1.00 0.00 H new ATOM 0 HA ARG A 1 10.604 -4.274 2.800 1.00 0.00 H new ATOM 0 HB2 ARG A 1 9.398 -4.857 0.809 1.00 0.00 H new ATOM 0 HB3 ARG A 1 10.953 -4.111 0.499 1.00 0.00 H new ATOM 0 HG2 ARG A 1 11.256 -6.977 0.356 1.00 0.00 H new ATOM 0 HG3 ARG A 1 9.879 -6.497 -0.617 1.00 0.00 H new ATOM 0 HD2 ARG A 1 11.482 -6.135 -2.212 1.00 0.00 H new ATOM 0 HD3 ARG A 1 11.611 -4.577 -1.419 1.00 0.00 H new ATOM 0 HE ARG A 1 13.730 -5.136 -0.617 1.00 0.00 H new ATOM 0 HH11 ARG A 1 12.102 -8.120 -1.629 1.00 0.00 H new ATOM 0 HH12 ARG A 1 13.609 -9.034 -1.757 1.00 0.00 H new ATOM 0 HH21 ARG A 1 15.667 -6.259 -0.943 1.00 0.00 H new ATOM 0 HH22 ARG A 1 15.637 -7.974 -1.366 1.00 0.00 H new ATOM 25 N PRO A 2 9.196 -5.950 3.991 1.00 0.00 N ATOM 26 CA PRO A 2 8.409 -6.903 4.758 1.00 0.00 C ATOM 27 C PRO A 2 7.319 -7.542 3.899 1.00 0.00 C ATOM 28 O PRO A 2 6.648 -6.870 3.112 1.00 0.00 O ATOM 29 CB PRO A 2 7.835 -6.094 5.917 1.00 0.00 C ATOM 30 CG PRO A 2 7.703 -4.686 5.355 1.00 0.00 C ATOM 31 CD PRO A 2 8.870 -4.590 4.378 1.00 0.00 C ATOM 0 HA PRO A 2 9.007 -7.740 5.118 1.00 0.00 H new ATOM 0 HB2 PRO A 2 6.871 -6.487 6.239 1.00 0.00 H new ATOM 0 HB3 PRO A 2 8.494 -6.117 6.785 1.00 0.00 H new ATOM 0 HG2 PRO A 2 6.746 -4.540 4.854 1.00 0.00 H new ATOM 0 HG3 PRO A 2 7.771 -3.932 6.139 1.00 0.00 H new ATOM 0 HD2 PRO A 2 8.599 -3.993 3.507 1.00 0.00 H new ATOM 0 HD3 PRO A 2 9.727 -4.103 4.844 1.00 0.00 H new ATOM 39 N ARG A 3 7.078 -8.836 4.106 1.00 0.00 N ATOM 40 CA ARG A 3 6.102 -9.658 3.383 1.00 0.00 C ATOM 41 C ARG A 3 4.645 -9.197 3.475 1.00 0.00 C ATOM 42 O ARG A 3 3.772 -9.806 2.864 1.00 0.00 O ATOM 43 CB ARG A 3 6.305 -11.157 3.690 1.00 0.00 C ATOM 44 CG ARG A 3 5.553 -11.731 4.900 1.00 0.00 C ATOM 45 CD ARG A 3 5.782 -10.927 6.181 1.00 0.00 C ATOM 46 NE ARG A 3 5.053 -11.490 7.326 1.00 0.00 N ATOM 47 CZ ARG A 3 5.110 -11.019 8.578 1.00 0.00 C ATOM 48 NH1 ARG A 3 5.852 -9.957 8.877 1.00 0.00 N ATOM 49 NH2 ARG A 3 4.420 -11.608 9.543 1.00 0.00 N ATOM 0 H ARG A 3 7.581 -9.368 4.816 1.00 0.00 H new ATOM 0 HA ARG A 3 6.319 -9.504 2.326 1.00 0.00 H new ATOM 0 HB2 ARG A 3 6.011 -11.726 2.808 1.00 0.00 H new ATOM 0 HB3 ARG A 3 7.371 -11.330 3.841 1.00 0.00 H new ATOM 0 HG2 ARG A 3 4.486 -11.756 4.679 1.00 0.00 H new ATOM 0 HG3 ARG A 3 5.870 -12.761 5.062 1.00 0.00 H new ATOM 0 HD2 ARG A 3 6.848 -10.903 6.407 1.00 0.00 H new ATOM 0 HD3 ARG A 3 5.466 -9.896 6.022 1.00 0.00 H new ATOM 0 HE ARG A 3 4.459 -12.301 7.154 1.00 0.00 H new ATOM 0 HH11 ARG A 3 6.389 -9.488 8.147 1.00 0.00 H new ATOM 0 HH12 ARG A 3 5.884 -9.611 9.836 1.00 0.00 H new ATOM 0 HH21 ARG A 3 3.843 -12.423 9.333 1.00 0.00 H new ATOM 0 HH22 ARG A 3 4.465 -11.247 10.496 1.00 0.00 H new ATOM 63 N PHE A 4 4.335 -8.179 4.277 1.00 0.00 N ATOM 64 CA PHE A 4 2.974 -7.664 4.386 1.00 0.00 C ATOM 65 C PHE A 4 2.772 -6.512 3.393 1.00 0.00 C ATOM 66 O PHE A 4 1.647 -6.210 3.002 1.00 0.00 O ATOM 67 CB PHE A 4 2.681 -7.256 5.834 1.00 0.00 C ATOM 68 CG PHE A 4 3.201 -5.896 6.229 1.00 0.00 C ATOM 69 CD1 PHE A 4 2.478 -4.749 5.868 1.00 0.00 C ATOM 70 CD2 PHE A 4 4.413 -5.766 6.920 1.00 0.00 C ATOM 71 CE1 PHE A 4 2.966 -3.472 6.174 1.00 0.00 C ATOM 72 CE2 PHE A 4 4.922 -4.488 7.201 1.00 0.00 C ATOM 73 CZ PHE A 4 4.203 -3.341 6.830 1.00 0.00 C ATOM 0 H PHE A 4 5.014 -7.693 4.863 1.00 0.00 H new ATOM 0 HA PHE A 4 2.258 -8.443 4.124 1.00 0.00 H new ATOM 0 HB2 PHE A 4 1.602 -7.276 5.990 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.114 -8.002 6.501 1.00 0.00 H new ATOM 0 HD1 PHE A 4 1.536 -4.852 5.349 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.954 -6.646 7.235 1.00 0.00 H new ATOM 0 HE1 PHE A 4 2.396 -2.594 5.908 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.872 -4.387 7.705 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.599 -2.360 7.048 1.00 0.00 H new ATOM 83 N CYS A 5 3.859 -5.855 2.973 1.00 0.00 N ATOM 84 CA CYS A 5 3.827 -4.740 2.043 1.00 0.00 C ATOM 85 C CYS A 5 3.597 -5.203 0.603 1.00 0.00 C ATOM 86 O CYS A 5 3.211 -4.403 -0.252 1.00 0.00 O ATOM 87 CB CYS A 5 5.181 -4.032 2.151 1.00 0.00 C ATOM 88 SG CYS A 5 5.178 -2.262 1.824 1.00 0.00 S ATOM 0 H CYS A 5 4.801 -6.095 3.281 1.00 0.00 H new ATOM 0 HA CYS A 5 3.001 -4.075 2.295 1.00 0.00 H new ATOM 0 HB2 CYS A 5 5.574 -4.195 3.155 1.00 0.00 H new ATOM 0 HB3 CYS A 5 5.873 -4.508 1.457 1.00 0.00 H new ATOM 93 N GLU A 6 3.806 -6.493 0.345 1.00 0.00 N ATOM 94 CA GLU A 6 3.674 -7.117 -0.971 1.00 0.00 C ATOM 95 C GLU A 6 2.335 -7.836 -1.179 1.00 0.00 C ATOM 96 O GLU A 6 2.249 -8.735 -2.014 1.00 0.00 O ATOM 97 CB GLU A 6 4.888 -8.030 -1.209 1.00 0.00 C ATOM 98 CG GLU A 6 4.951 -9.217 -0.244 1.00 0.00 C ATOM 99 CD GLU A 6 6.280 -9.967 -0.313 1.00 0.00 C ATOM 100 OE1 GLU A 6 7.306 -9.398 0.130 1.00 0.00 O ATOM 101 OE2 GLU A 6 6.267 -11.172 -0.656 1.00 0.00 O ATOM 0 H GLU A 6 4.081 -7.155 1.071 1.00 0.00 H new ATOM 0 HA GLU A 6 3.665 -6.330 -1.725 1.00 0.00 H new ATOM 0 HB2 GLU A 6 4.858 -8.404 -2.232 1.00 0.00 H new ATOM 0 HB3 GLU A 6 5.801 -7.442 -1.111 1.00 0.00 H new ATOM 0 HG2 GLU A 6 4.793 -8.861 0.774 1.00 0.00 H new ATOM 0 HG3 GLU A 6 4.138 -9.907 -0.470 1.00 0.00 H new ATOM 108 N LEU A 7 1.305 -7.538 -0.381 1.00 0.00 N ATOM 109 CA LEU A 7 0.011 -8.198 -0.535 1.00 0.00 C ATOM 110 C LEU A 7 -0.819 -7.452 -1.580 1.00 0.00 C ATOM 111 O LEU A 7 -0.406 -6.403 -2.084 1.00 0.00 O ATOM 112 CB LEU A 7 -0.707 -8.309 0.814 1.00 0.00 C ATOM 113 CG LEU A 7 0.092 -9.027 1.913 1.00 0.00 C ATOM 114 CD1 LEU A 7 -0.773 -9.111 3.167 1.00 0.00 C ATOM 115 CD2 LEU A 7 0.548 -10.437 1.549 1.00 0.00 C ATOM 0 H LEU A 7 1.344 -6.850 0.371 1.00 0.00 H new ATOM 0 HA LEU A 7 0.159 -9.218 -0.890 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.955 -7.306 1.161 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.649 -8.837 0.666 1.00 0.00 H new ATOM 0 HG LEU A 7 0.997 -8.439 2.064 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.220 -9.618 3.957 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.036 -8.106 3.496 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.683 -9.669 2.945 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.104 -10.866 2.383 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.323 -11.057 1.335 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.189 -10.396 0.668 1.00 0.00 H new ATOM 127 N ALA A 8 -1.969 -8.014 -1.935 1.00 0.00 N ATOM 128 CA ALA A 8 -2.887 -7.461 -2.919 1.00 0.00 C ATOM 129 C ALA A 8 -3.992 -6.735 -2.161 1.00 0.00 C ATOM 130 O ALA A 8 -4.704 -7.385 -1.391 1.00 0.00 O ATOM 131 CB ALA A 8 -3.477 -8.572 -3.786 1.00 0.00 C ATOM 0 H ALA A 8 -2.296 -8.893 -1.533 1.00 0.00 H new ATOM 0 HA ALA A 8 -2.363 -6.772 -3.581 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.161 -8.139 -4.516 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -2.673 -9.093 -4.306 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.018 -9.277 -3.155 1.00 0.00 H new ATOM 137 N PRO A 9 -4.185 -5.425 -2.347 1.00 0.00 N ATOM 138 CA PRO A 9 -5.216 -4.697 -1.623 1.00 0.00 C ATOM 139 C PRO A 9 -6.627 -5.147 -2.017 1.00 0.00 C ATOM 140 O PRO A 9 -7.137 -4.734 -3.055 1.00 0.00 O ATOM 141 CB PRO A 9 -4.962 -3.228 -1.938 1.00 0.00 C ATOM 142 CG PRO A 9 -4.240 -3.259 -3.287 1.00 0.00 C ATOM 143 CD PRO A 9 -3.431 -4.547 -3.233 1.00 0.00 C ATOM 0 HA PRO A 9 -5.165 -4.887 -0.551 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.894 -2.665 -1.997 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.351 -2.755 -1.169 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.945 -3.263 -4.118 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.598 -2.388 -3.418 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.320 -4.986 -4.224 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.426 -4.367 -2.850 1.00 0.00 H new ATOM 151 N SER A 10 -7.290 -5.920 -1.151 1.00 0.00 N ATOM 152 CA SER A 10 -8.644 -6.438 -1.359 1.00 0.00 C ATOM 153 C SER A 10 -9.712 -5.336 -1.177 1.00 0.00 C ATOM 154 O SER A 10 -10.615 -5.443 -0.343 1.00 0.00 O ATOM 155 CB SER A 10 -8.842 -7.662 -0.443 1.00 0.00 C ATOM 156 OG SER A 10 -9.998 -8.394 -0.796 1.00 0.00 O ATOM 0 H SER A 10 -6.887 -6.210 -0.260 1.00 0.00 H new ATOM 0 HA SER A 10 -8.771 -6.767 -2.390 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.967 -8.309 -0.506 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.921 -7.333 0.593 1.00 0.00 H new ATOM 0 HG SER A 10 -10.093 -9.164 -0.197 1.00 0.00 H new ATOM 162 N ALA A 11 -9.603 -4.238 -1.926 1.00 0.00 N ATOM 163 CA ALA A 11 -10.504 -3.095 -1.871 1.00 0.00 C ATOM 164 C ALA A 11 -11.907 -3.369 -2.428 1.00 0.00 C ATOM 165 O ALA A 11 -12.789 -2.534 -2.241 1.00 0.00 O ATOM 166 CB ALA A 11 -9.854 -1.933 -2.631 1.00 0.00 C ATOM 0 H ALA A 11 -8.857 -4.120 -2.611 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.654 -2.854 -0.819 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.513 -1.065 -2.602 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -8.902 -1.681 -2.165 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.684 -2.226 -3.667 1.00 0.00 H new ATOM 172 N GLY A 12 -12.149 -4.494 -3.105 1.00 0.00 N ATOM 173 CA GLY A 12 -13.459 -4.812 -3.668 1.00 0.00 C ATOM 174 C GLY A 12 -14.456 -5.326 -2.630 1.00 0.00 C ATOM 175 O GLY A 12 -15.659 -5.373 -2.903 1.00 0.00 O ATOM 0 H GLY A 12 -11.441 -5.208 -3.277 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -13.868 -3.921 -4.144 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.338 -5.563 -4.449 1.00 0.00 H new ATOM 179 N SER A 13 -13.973 -5.674 -1.435 1.00 0.00 N ATOM 180 CA SER A 13 -14.762 -6.204 -0.333 1.00 0.00 C ATOM 181 C SER A 13 -15.902 -5.286 0.112 1.00 0.00 C ATOM 182 O SER A 13 -16.952 -5.784 0.526 1.00 0.00 O ATOM 183 CB SER A 13 -13.816 -6.480 0.838 1.00 0.00 C ATOM 184 OG SER A 13 -14.166 -7.665 1.518 1.00 0.00 O ATOM 0 H SER A 13 -12.983 -5.589 -1.205 1.00 0.00 H new ATOM 0 HA SER A 13 -15.245 -7.117 -0.681 1.00 0.00 H new ATOM 0 HB2 SER A 13 -12.793 -6.559 0.470 1.00 0.00 H new ATOM 0 HB3 SER A 13 -13.840 -5.640 1.532 1.00 0.00 H new ATOM 0 HG SER A 13 -13.457 -7.900 2.152 1.00 0.00 H new ATOM 190 N CYS A 14 -15.718 -3.970 0.045 1.00 0.00 N ATOM 191 CA CYS A 14 -16.703 -2.975 0.440 1.00 0.00 C ATOM 192 C CYS A 14 -16.679 -1.828 -0.551 1.00 0.00 C ATOM 193 O CYS A 14 -15.725 -1.702 -1.322 1.00 0.00 O ATOM 194 CB CYS A 14 -16.348 -2.421 1.828 1.00 0.00 C ATOM 195 SG CYS A 14 -17.225 -3.229 3.176 1.00 0.00 S ATOM 0 H CYS A 14 -14.850 -3.557 -0.297 1.00 0.00 H new ATOM 0 HA CYS A 14 -17.690 -3.438 0.463 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -15.275 -2.528 1.989 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -16.569 -1.354 1.851 1.00 0.00 H new ATOM 200 N PHE A 15 -17.695 -0.970 -0.495 1.00 0.00 N ATOM 201 CA PHE A 15 -17.782 0.192 -1.352 1.00 0.00 C ATOM 202 C PHE A 15 -17.719 1.414 -0.447 1.00 0.00 C ATOM 203 O PHE A 15 -18.645 1.718 0.304 1.00 0.00 O ATOM 204 CB PHE A 15 -19.053 0.167 -2.205 1.00 0.00 C ATOM 205 CG PHE A 15 -19.408 1.513 -2.811 1.00 0.00 C ATOM 206 CD1 PHE A 15 -18.430 2.302 -3.448 1.00 0.00 C ATOM 207 CD2 PHE A 15 -20.712 2.012 -2.666 1.00 0.00 C ATOM 208 CE1 PHE A 15 -18.751 3.591 -3.900 1.00 0.00 C ATOM 209 CE2 PHE A 15 -21.043 3.285 -3.148 1.00 0.00 C ATOM 210 CZ PHE A 15 -20.062 4.081 -3.762 1.00 0.00 C ATOM 0 H PHE A 15 -18.479 -1.068 0.150 1.00 0.00 H new ATOM 0 HA PHE A 15 -16.958 0.211 -2.065 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -18.928 -0.561 -3.007 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -19.886 -0.176 -1.591 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -17.432 1.914 -3.589 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -21.465 1.410 -2.179 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -17.990 4.208 -4.355 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -22.053 3.655 -3.047 1.00 0.00 H new ATOM 0 HZ PHE A 15 -20.314 5.066 -4.127 1.00 0.00 H new ATOM 220 N ALA A 16 -16.567 2.064 -0.501 1.00 0.00 N ATOM 221 CA ALA A 16 -16.184 3.275 0.187 1.00 0.00 C ATOM 222 C ALA A 16 -15.191 3.972 -0.748 1.00 0.00 C ATOM 223 O ALA A 16 -14.764 3.375 -1.745 1.00 0.00 O ATOM 224 CB ALA A 16 -15.538 2.930 1.528 1.00 0.00 C ATOM 0 H ALA A 16 -15.807 1.718 -1.086 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.036 3.919 0.408 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -15.252 3.848 2.041 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.249 2.377 2.143 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -14.652 2.318 1.358 1.00 0.00 H new ATOM 230 N PHE A 17 -14.791 5.201 -0.433 1.00 0.00 N ATOM 231 CA PHE A 17 -13.834 5.938 -1.238 1.00 0.00 C ATOM 232 C PHE A 17 -12.770 6.526 -0.321 1.00 0.00 C ATOM 233 O PHE A 17 -12.981 7.568 0.309 1.00 0.00 O ATOM 234 CB PHE A 17 -14.554 6.989 -2.085 1.00 0.00 C ATOM 235 CG PHE A 17 -13.674 7.564 -3.175 1.00 0.00 C ATOM 236 CD1 PHE A 17 -13.055 6.697 -4.095 1.00 0.00 C ATOM 237 CD2 PHE A 17 -13.454 8.950 -3.267 1.00 0.00 C ATOM 238 CE1 PHE A 17 -12.165 7.199 -5.054 1.00 0.00 C ATOM 239 CE2 PHE A 17 -12.581 9.457 -4.246 1.00 0.00 C ATOM 240 CZ PHE A 17 -11.912 8.579 -5.115 1.00 0.00 C ATOM 0 H PHE A 17 -15.123 5.709 0.387 1.00 0.00 H new ATOM 0 HA PHE A 17 -13.330 5.277 -1.943 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -15.439 6.541 -2.537 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -14.899 7.796 -1.439 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -13.267 5.639 -4.062 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -13.954 9.624 -2.587 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -11.676 6.527 -5.744 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -12.425 10.522 -4.330 1.00 0.00 H new ATOM 0 HZ PHE A 17 -11.202 8.966 -5.831 1.00 0.00 H new ATOM 250 N VAL A 18 -11.635 5.837 -0.215 1.00 0.00 N ATOM 251 CA VAL A 18 -10.513 6.245 0.608 1.00 0.00 C ATOM 252 C VAL A 18 -9.237 6.011 -0.197 1.00 0.00 C ATOM 253 O VAL A 18 -8.805 4.862 -0.303 1.00 0.00 O ATOM 254 CB VAL A 18 -10.527 5.530 1.982 1.00 0.00 C ATOM 255 CG1 VAL A 18 -11.483 6.260 2.932 1.00 0.00 C ATOM 256 CG2 VAL A 18 -10.928 4.047 1.948 1.00 0.00 C ATOM 0 H VAL A 18 -11.473 4.961 -0.712 1.00 0.00 H new ATOM 0 HA VAL A 18 -10.576 7.305 0.854 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.493 5.562 2.324 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.492 5.755 3.898 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.150 7.290 3.063 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -12.488 6.255 2.511 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.906 3.641 2.959 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -11.934 3.951 1.540 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.228 3.495 1.320 1.00 0.00 H new ATOM 266 N PRO A 19 -8.645 7.042 -0.825 1.00 0.00 N ATOM 267 CA PRO A 19 -7.417 6.840 -1.568 1.00 0.00 C ATOM 268 C PRO A 19 -6.340 6.519 -0.543 1.00 0.00 C ATOM 269 O PRO A 19 -6.156 7.268 0.421 1.00 0.00 O ATOM 270 CB PRO A 19 -7.137 8.142 -2.316 1.00 0.00 C ATOM 271 CG PRO A 19 -7.839 9.196 -1.471 1.00 0.00 C ATOM 272 CD PRO A 19 -9.018 8.452 -0.832 1.00 0.00 C ATOM 0 HA PRO A 19 -7.463 6.028 -2.293 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.068 8.338 -2.395 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.531 8.114 -3.332 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -7.171 9.607 -0.714 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.181 10.032 -2.082 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -9.204 8.812 0.180 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -9.934 8.611 -1.401 1.00 0.00 H new ATOM 280 N SER A 20 -5.673 5.388 -0.708 1.00 0.00 N ATOM 281 CA SER A 20 -4.602 4.937 0.157 1.00 0.00 C ATOM 282 C SER A 20 -3.338 4.698 -0.719 1.00 0.00 C ATOM 283 O SER A 20 -3.321 5.098 -1.886 1.00 0.00 O ATOM 284 CB SER A 20 -5.112 3.868 1.130 1.00 0.00 C ATOM 285 OG SER A 20 -6.181 4.306 1.963 1.00 0.00 O ATOM 0 H SER A 20 -5.870 4.741 -1.472 1.00 0.00 H new ATOM 0 HA SER A 20 -4.246 5.675 0.876 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.442 3.000 0.560 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.285 3.540 1.760 1.00 0.00 H new ATOM 0 HG SER A 20 -5.817 4.690 2.788 1.00 0.00 H new ATOM 291 N TYR A 21 -2.233 4.161 -0.197 1.00 0.00 N ATOM 292 CA TYR A 21 -0.974 3.972 -0.938 1.00 0.00 C ATOM 293 C TYR A 21 -0.540 2.510 -1.161 1.00 0.00 C ATOM 294 O TYR A 21 -0.611 1.698 -0.236 1.00 0.00 O ATOM 295 CB TYR A 21 0.082 4.786 -0.184 1.00 0.00 C ATOM 296 CG TYR A 21 0.247 6.242 -0.623 1.00 0.00 C ATOM 297 CD1 TYR A 21 -0.586 7.210 -0.031 1.00 0.00 C ATOM 298 CD2 TYR A 21 1.213 6.659 -1.577 1.00 0.00 C ATOM 299 CE1 TYR A 21 -0.424 8.571 -0.332 1.00 0.00 C ATOM 300 CE2 TYR A 21 1.344 8.014 -1.930 1.00 0.00 C ATOM 301 CZ TYR A 21 0.550 8.978 -1.269 1.00 0.00 C ATOM 302 OH TYR A 21 0.708 10.306 -1.490 1.00 0.00 O ATOM 0 H TYR A 21 -2.182 3.838 0.769 1.00 0.00 H new ATOM 0 HA TYR A 21 -1.114 4.320 -1.962 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.168 4.773 0.877 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.044 4.284 -0.291 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.356 6.903 0.661 1.00 0.00 H new ATOM 0 HD2 TYR A 21 1.857 5.925 -2.038 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.046 9.308 0.154 1.00 0.00 H new ATOM 0 HE2 TYR A 21 2.043 8.314 -2.697 1.00 0.00 H new ATOM 0 HH TYR A 21 1.412 10.445 -2.157 1.00 0.00 H new ATOM 312 N TYR A 22 -0.082 2.187 -2.387 1.00 0.00 N ATOM 313 CA TYR A 22 0.377 0.898 -2.924 1.00 0.00 C ATOM 314 C TYR A 22 1.896 0.810 -3.030 1.00 0.00 C ATOM 315 O TYR A 22 2.516 1.710 -3.592 1.00 0.00 O ATOM 316 CB TYR A 22 -0.121 0.762 -4.376 1.00 0.00 C ATOM 317 CG TYR A 22 -0.190 -0.673 -4.862 1.00 0.00 C ATOM 318 CD1 TYR A 22 0.993 -1.354 -5.203 1.00 0.00 C ATOM 319 CD2 TYR A 22 -1.423 -1.338 -4.960 1.00 0.00 C ATOM 320 CE1 TYR A 22 0.965 -2.701 -5.599 1.00 0.00 C ATOM 321 CE2 TYR A 22 -1.466 -2.667 -5.427 1.00 0.00 C ATOM 322 CZ TYR A 22 -0.274 -3.357 -5.753 1.00 0.00 C ATOM 323 OH TYR A 22 -0.332 -4.628 -6.239 1.00 0.00 O ATOM 0 H TYR A 22 -0.019 2.910 -3.104 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.001 0.132 -2.247 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.111 1.212 -4.456 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.540 1.328 -5.033 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.938 -0.832 -5.160 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.335 -0.833 -4.678 1.00 0.00 H new ATOM 0 HE1 TYR A 22 1.887 -3.232 -5.785 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.418 -3.164 -5.537 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.266 -4.922 -6.276 1.00 0.00 H new ATOM 333 N TYR A 23 2.518 -0.260 -2.561 1.00 0.00 N ATOM 334 CA TYR A 23 3.968 -0.415 -2.637 1.00 0.00 C ATOM 335 C TYR A 23 4.346 -1.210 -3.878 1.00 0.00 C ATOM 336 O TYR A 23 3.701 -2.222 -4.137 1.00 0.00 O ATOM 337 CB TYR A 23 4.436 -1.187 -1.408 1.00 0.00 C ATOM 338 CG TYR A 23 5.881 -1.616 -1.398 1.00 0.00 C ATOM 339 CD1 TYR A 23 6.922 -0.676 -1.465 1.00 0.00 C ATOM 340 CD2 TYR A 23 6.172 -2.981 -1.258 1.00 0.00 C ATOM 341 CE1 TYR A 23 8.255 -1.100 -1.389 1.00 0.00 C ATOM 342 CE2 TYR A 23 7.496 -3.404 -1.121 1.00 0.00 C ATOM 343 CZ TYR A 23 8.543 -2.469 -1.245 1.00 0.00 C ATOM 344 OH TYR A 23 9.816 -2.920 -1.242 1.00 0.00 O ATOM 0 H TYR A 23 2.038 -1.044 -2.118 1.00 0.00 H new ATOM 0 HA TYR A 23 4.435 0.569 -2.682 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.256 -0.570 -0.528 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.814 -2.077 -1.306 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.695 0.374 -1.575 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.371 -3.706 -1.256 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.058 -0.379 -1.441 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.716 -4.442 -0.921 1.00 0.00 H new ATOM 0 HH TYR A 23 10.382 -2.300 -0.736 1.00 0.00 H new ATOM 354 N ASN A 24 5.360 -0.808 -4.645 1.00 0.00 N ATOM 355 CA ASN A 24 5.784 -1.563 -5.821 1.00 0.00 C ATOM 356 C ASN A 24 7.261 -1.888 -5.668 1.00 0.00 C ATOM 357 O ASN A 24 8.116 -1.139 -6.151 1.00 0.00 O ATOM 358 CB ASN A 24 5.476 -0.852 -7.145 1.00 0.00 C ATOM 359 CG ASN A 24 4.010 -0.955 -7.538 1.00 0.00 C ATOM 360 OD1 ASN A 24 3.479 -2.052 -7.717 1.00 0.00 O ATOM 361 ND2 ASN A 24 3.329 0.169 -7.686 1.00 0.00 N ATOM 0 H ASN A 24 5.903 0.038 -4.471 1.00 0.00 H new ATOM 0 HA ASN A 24 5.206 -2.486 -5.873 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.753 0.199 -7.062 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.091 -1.282 -7.935 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.345 0.138 -7.953 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.788 1.067 -7.533 1.00 0.00 H new ATOM 368 N GLN A 25 7.569 -3.010 -5.005 1.00 0.00 N ATOM 369 CA GLN A 25 8.940 -3.466 -4.793 1.00 0.00 C ATOM 370 C GLN A 25 9.685 -3.609 -6.124 1.00 0.00 C ATOM 371 O GLN A 25 10.885 -3.347 -6.156 1.00 0.00 O ATOM 372 CB GLN A 25 8.992 -4.741 -3.930 1.00 0.00 C ATOM 373 CG GLN A 25 8.707 -6.092 -4.590 1.00 0.00 C ATOM 374 CD GLN A 25 7.402 -6.157 -5.378 1.00 0.00 C ATOM 375 OE1 GLN A 25 6.277 -5.680 -4.866 1.00 0.00 O flip ATOM 376 NE2 GLN A 25 7.419 -6.598 -6.515 1.00 0.00 N flip ATOM 0 H GLN A 25 6.866 -3.628 -4.600 1.00 0.00 H new ATOM 0 HA GLN A 25 9.466 -2.701 -4.223 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.984 -4.796 -3.482 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.280 -4.616 -3.114 1.00 0.00 H new ATOM 0 HG2 GLN A 25 9.532 -6.334 -5.260 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.687 -6.861 -3.818 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.286 -6.965 -6.907 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.566 -6.600 -7.074 1.00 0.00 H new ATOM 385 N TYR A 26 8.986 -3.921 -7.225 1.00 0.00 N ATOM 386 CA TYR A 26 9.583 -4.052 -8.551 1.00 0.00 C ATOM 387 C TYR A 26 10.350 -2.779 -8.929 1.00 0.00 C ATOM 388 O TYR A 26 11.387 -2.862 -9.586 1.00 0.00 O ATOM 389 CB TYR A 26 8.487 -4.248 -9.610 1.00 0.00 C ATOM 390 CG TYR A 26 7.589 -5.456 -9.458 1.00 0.00 C ATOM 391 CD1 TYR A 26 8.119 -6.751 -9.607 1.00 0.00 C ATOM 392 CD2 TYR A 26 6.218 -5.284 -9.187 1.00 0.00 C ATOM 393 CE1 TYR A 26 7.294 -7.876 -9.433 1.00 0.00 C ATOM 394 CE2 TYR A 26 5.388 -6.404 -9.022 1.00 0.00 C ATOM 395 CZ TYR A 26 5.926 -7.706 -9.124 1.00 0.00 C ATOM 396 OH TYR A 26 5.123 -8.790 -8.965 1.00 0.00 O ATOM 0 H TYR A 26 7.980 -4.090 -7.214 1.00 0.00 H new ATOM 0 HA TYR A 26 10.256 -4.909 -8.521 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.858 -3.358 -9.615 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.967 -4.304 -10.587 1.00 0.00 H new ATOM 0 HD1 TYR A 26 9.162 -6.881 -9.856 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.805 -4.290 -9.106 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.706 -8.869 -9.535 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.336 -6.270 -8.817 1.00 0.00 H new ATOM 0 HH TYR A 26 4.213 -8.495 -8.755 1.00 0.00 H new ATOM 406 N SER A 27 9.850 -1.618 -8.489 1.00 0.00 N ATOM 407 CA SER A 27 10.411 -0.305 -8.754 1.00 0.00 C ATOM 408 C SER A 27 10.978 0.361 -7.491 1.00 0.00 C ATOM 409 O SER A 27 11.351 1.529 -7.545 1.00 0.00 O ATOM 410 CB SER A 27 9.325 0.526 -9.456 1.00 0.00 C ATOM 411 OG SER A 27 9.852 1.659 -10.118 1.00 0.00 O ATOM 0 H SER A 27 9.008 -1.576 -7.915 1.00 0.00 H new ATOM 0 HA SER A 27 11.277 -0.389 -9.410 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.802 -0.101 -10.178 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.588 0.849 -8.721 1.00 0.00 H new ATOM 0 HG SER A 27 10.542 2.073 -9.559 1.00 0.00 H new ATOM 417 N ASN A 28 11.058 -0.344 -6.355 1.00 0.00 N ATOM 418 CA ASN A 28 11.584 0.157 -5.084 1.00 0.00 C ATOM 419 C ASN A 28 10.949 1.500 -4.680 1.00 0.00 C ATOM 420 O ASN A 28 11.617 2.380 -4.141 1.00 0.00 O ATOM 421 CB ASN A 28 13.127 0.211 -5.214 1.00 0.00 C ATOM 422 CG ASN A 28 13.923 0.654 -3.989 1.00 0.00 C ATOM 423 OD1 ASN A 28 14.556 1.710 -3.993 1.00 0.00 O ATOM 424 ND2 ASN A 28 13.979 -0.171 -2.958 1.00 0.00 N ATOM 0 H ASN A 28 10.746 -1.313 -6.296 1.00 0.00 H new ATOM 0 HA ASN A 28 11.318 -0.513 -4.266 1.00 0.00 H new ATOM 0 HB2 ASN A 28 13.475 -0.781 -5.500 1.00 0.00 H new ATOM 0 HB3 ASN A 28 13.372 0.884 -6.036 1.00 0.00 H new ATOM 0 HD21 ASN A 28 14.553 0.063 -2.148 1.00 0.00 H new ATOM 0 HD22 ASN A 28 13.448 -1.042 -2.972 1.00 0.00 H new ATOM 431 N THR A 29 9.658 1.697 -4.958 1.00 0.00 N ATOM 432 CA THR A 29 8.941 2.923 -4.617 1.00 0.00 C ATOM 433 C THR A 29 7.494 2.564 -4.252 1.00 0.00 C ATOM 434 O THR A 29 7.164 1.382 -4.088 1.00 0.00 O ATOM 435 CB THR A 29 9.112 3.975 -5.738 1.00 0.00 C ATOM 436 OG1 THR A 29 8.625 5.243 -5.324 1.00 0.00 O ATOM 437 CG2 THR A 29 8.425 3.564 -7.040 1.00 0.00 C ATOM 0 H THR A 29 9.078 1.003 -5.430 1.00 0.00 H new ATOM 0 HA THR A 29 9.360 3.405 -3.734 1.00 0.00 H new ATOM 0 HB THR A 29 10.182 4.041 -5.933 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.745 5.892 -6.048 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.577 4.338 -7.792 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.850 2.625 -7.395 1.00 0.00 H new ATOM 0 HG23 THR A 29 7.357 3.435 -6.863 1.00 0.00 H new ATOM 445 N CYS A 30 6.632 3.563 -4.056 1.00 0.00 N ATOM 446 CA CYS A 30 5.248 3.390 -3.701 1.00 0.00 C ATOM 447 C CYS A 30 4.445 4.431 -4.487 1.00 0.00 C ATOM 448 O CYS A 30 4.992 5.476 -4.849 1.00 0.00 O ATOM 449 CB CYS A 30 5.106 3.534 -2.181 1.00 0.00 C ATOM 450 SG CYS A 30 6.403 2.999 -1.042 1.00 0.00 S ATOM 0 H CYS A 30 6.901 4.543 -4.146 1.00 0.00 H new ATOM 0 HA CYS A 30 4.867 2.402 -3.957 1.00 0.00 H new ATOM 0 HB2 CYS A 30 4.928 4.591 -1.981 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.199 2.999 -1.898 1.00 0.00 H new ATOM 455 N HIS A 31 3.159 4.177 -4.739 1.00 0.00 N ATOM 456 CA HIS A 31 2.281 5.046 -5.491 1.00 0.00 C ATOM 457 C HIS A 31 0.855 5.016 -4.941 1.00 0.00 C ATOM 458 O HIS A 31 0.377 3.948 -4.549 1.00 0.00 O ATOM 459 CB HIS A 31 2.311 4.501 -6.923 1.00 0.00 C ATOM 460 CG HIS A 31 1.941 5.515 -7.956 1.00 0.00 C ATOM 461 ND1 HIS A 31 1.141 5.315 -9.055 1.00 0.00 N ATOM 462 CD2 HIS A 31 2.414 6.792 -7.998 1.00 0.00 C ATOM 463 CE1 HIS A 31 1.116 6.457 -9.755 1.00 0.00 C ATOM 464 NE2 HIS A 31 1.860 7.396 -9.137 1.00 0.00 N ATOM 0 H HIS A 31 2.695 3.330 -4.410 1.00 0.00 H new ATOM 0 HA HIS A 31 2.607 6.085 -5.433 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.310 4.123 -7.138 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.628 3.655 -6.995 1.00 0.00 H new ATOM 0 HD2 HIS A 31 3.087 7.252 -7.290 1.00 0.00 H new ATOM 0 HE1 HIS A 31 0.578 6.604 -10.680 1.00 0.00 H new ATOM 0 HE2 HIS A 31 1.995 8.361 -9.439 1.00 0.00 H new ATOM 472 N SER A 32 0.153 6.152 -4.918 1.00 0.00 N ATOM 473 CA SER A 32 -1.218 6.191 -4.416 1.00 0.00 C ATOM 474 C SER A 32 -2.155 5.390 -5.331 1.00 0.00 C ATOM 475 O SER A 32 -1.982 5.370 -6.555 1.00 0.00 O ATOM 476 CB SER A 32 -1.683 7.636 -4.219 1.00 0.00 C ATOM 477 OG SER A 32 -1.394 8.465 -5.328 1.00 0.00 O ATOM 0 H SER A 32 0.511 7.051 -5.240 1.00 0.00 H new ATOM 0 HA SER A 32 -1.248 5.713 -3.437 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.758 7.644 -4.036 1.00 0.00 H new ATOM 0 HB3 SER A 32 -1.205 8.048 -3.330 1.00 0.00 H new ATOM 0 HG SER A 32 -1.714 9.374 -5.149 1.00 0.00 H new ATOM 483 N PHE A 33 -3.125 4.690 -4.741 1.00 0.00 N ATOM 484 CA PHE A 33 -4.133 3.865 -5.403 1.00 0.00 C ATOM 485 C PHE A 33 -5.452 3.966 -4.616 1.00 0.00 C ATOM 486 O PHE A 33 -5.554 4.715 -3.643 1.00 0.00 O ATOM 487 CB PHE A 33 -3.650 2.426 -5.627 1.00 0.00 C ATOM 488 CG PHE A 33 -3.882 1.516 -4.449 1.00 0.00 C ATOM 489 CD1 PHE A 33 -3.056 1.659 -3.336 1.00 0.00 C ATOM 490 CD2 PHE A 33 -4.919 0.569 -4.424 1.00 0.00 C ATOM 491 CE1 PHE A 33 -3.145 0.760 -2.274 1.00 0.00 C ATOM 492 CE2 PHE A 33 -5.151 -0.170 -3.252 1.00 0.00 C ATOM 493 CZ PHE A 33 -4.260 -0.067 -2.168 1.00 0.00 C ATOM 0 H PHE A 33 -3.233 4.685 -3.727 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.315 4.243 -6.409 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.159 2.014 -6.498 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.585 2.442 -5.858 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.344 2.470 -3.296 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -5.533 0.410 -5.298 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.355 0.706 -1.539 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -6.013 -0.817 -3.183 1.00 0.00 H new ATOM 0 HZ PHE A 33 -4.440 -0.625 -1.261 1.00 0.00 H new ATOM 503 N THR A 34 -6.491 3.258 -5.036 1.00 0.00 N ATOM 504 CA THR A 34 -7.812 3.291 -4.391 1.00 0.00 C ATOM 505 C THR A 34 -8.040 2.198 -3.335 1.00 0.00 C ATOM 506 O THR A 34 -7.816 1.021 -3.620 1.00 0.00 O ATOM 507 CB THR A 34 -8.909 3.169 -5.468 1.00 0.00 C ATOM 508 OG1 THR A 34 -8.717 2.051 -6.311 1.00 0.00 O ATOM 509 CG2 THR A 34 -9.019 4.384 -6.379 1.00 0.00 C ATOM 0 H THR A 34 -6.448 2.635 -5.843 1.00 0.00 H new ATOM 0 HA THR A 34 -7.857 4.244 -3.864 1.00 0.00 H new ATOM 0 HB THR A 34 -9.823 3.068 -4.883 1.00 0.00 H new ATOM 0 HG1 THR A 34 -8.360 1.304 -5.787 1.00 0.00 H new ATOM 0 HG21 THR A 34 -9.812 4.221 -7.109 1.00 0.00 H new ATOM 0 HG22 THR A 34 -9.251 5.266 -5.782 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.073 4.536 -6.899 1.00 0.00 H new ATOM 517 N TYR A 35 -8.514 2.545 -2.131 1.00 0.00 N ATOM 518 CA TYR A 35 -8.806 1.552 -1.078 1.00 0.00 C ATOM 519 C TYR A 35 -10.279 1.639 -0.654 1.00 0.00 C ATOM 520 O TYR A 35 -11.035 2.440 -1.211 1.00 0.00 O ATOM 521 CB TYR A 35 -7.832 1.669 0.091 1.00 0.00 C ATOM 522 CG TYR A 35 -7.618 0.422 0.942 1.00 0.00 C ATOM 523 CD1 TYR A 35 -6.821 -0.646 0.478 1.00 0.00 C ATOM 524 CD2 TYR A 35 -8.138 0.367 2.245 1.00 0.00 C ATOM 525 CE1 TYR A 35 -6.475 -1.709 1.334 1.00 0.00 C ATOM 526 CE2 TYR A 35 -7.847 -0.717 3.091 1.00 0.00 C ATOM 527 CZ TYR A 35 -6.957 -1.725 2.664 1.00 0.00 C ATOM 528 OH TYR A 35 -6.538 -2.666 3.557 1.00 0.00 O ATOM 0 H TYR A 35 -8.705 3.509 -1.857 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.653 0.553 -1.486 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.865 1.979 -0.304 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -8.181 2.469 0.744 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -6.473 -0.648 -0.544 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -8.769 1.167 2.602 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.844 -2.509 0.977 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.304 -0.778 4.067 1.00 0.00 H new ATOM 0 HH TYR A 35 -5.656 -3.000 3.291 1.00 0.00 H new ATOM 538 N SER A 36 -10.712 0.806 0.295 1.00 0.00 N ATOM 539 CA SER A 36 -12.084 0.779 0.787 1.00 0.00 C ATOM 540 C SER A 36 -12.108 0.572 2.309 1.00 0.00 C ATOM 541 O SER A 36 -11.057 0.435 2.933 1.00 0.00 O ATOM 542 CB SER A 36 -12.858 -0.289 0.007 1.00 0.00 C ATOM 543 OG SER A 36 -14.244 -0.084 0.135 1.00 0.00 O ATOM 0 H SER A 36 -10.106 0.122 0.748 1.00 0.00 H new ATOM 0 HA SER A 36 -12.578 1.735 0.617 1.00 0.00 H new ATOM 0 HB2 SER A 36 -12.575 -0.256 -1.045 1.00 0.00 H new ATOM 0 HB3 SER A 36 -12.595 -1.280 0.377 1.00 0.00 H new ATOM 0 HG SER A 36 -14.702 -0.443 -0.653 1.00 0.00 H new ATOM 549 N GLY A 37 -13.303 0.555 2.898 1.00 0.00 N ATOM 550 CA GLY A 37 -13.521 0.398 4.326 1.00 0.00 C ATOM 551 C GLY A 37 -13.201 -1.005 4.826 1.00 0.00 C ATOM 552 O GLY A 37 -12.171 -1.215 5.473 1.00 0.00 O ATOM 0 H GLY A 37 -14.172 0.654 2.372 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.905 1.119 4.863 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -14.560 0.632 4.557 1.00 0.00 H new ATOM 556 N CYS A 38 -14.104 -1.964 4.601 1.00 0.00 N ATOM 557 CA CYS A 38 -13.879 -3.334 5.046 1.00 0.00 C ATOM 558 C CYS A 38 -12.968 -4.088 4.074 1.00 0.00 C ATOM 559 O CYS A 38 -12.683 -3.625 2.966 1.00 0.00 O ATOM 560 CB CYS A 38 -15.200 -4.076 5.268 1.00 0.00 C ATOM 561 SG CYS A 38 -16.027 -4.735 3.799 1.00 0.00 S ATOM 0 H CYS A 38 -14.989 -1.815 4.117 1.00 0.00 H new ATOM 0 HA CYS A 38 -13.369 -3.289 6.008 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -15.013 -4.904 5.952 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -15.890 -3.397 5.770 1.00 0.00 H new ATOM 566 N GLY A 39 -12.561 -5.294 4.473 1.00 0.00 N ATOM 567 CA GLY A 39 -11.691 -6.146 3.686 1.00 0.00 C ATOM 568 C GLY A 39 -10.313 -5.516 3.586 1.00 0.00 C ATOM 569 O GLY A 39 -9.729 -5.156 4.613 1.00 0.00 O ATOM 0 H GLY A 39 -12.834 -5.705 5.366 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.618 -7.132 4.145 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.110 -6.289 2.690 1.00 0.00 H new ATOM 573 N GLY A 40 -9.783 -5.400 2.368 1.00 0.00 N ATOM 574 CA GLY A 40 -8.467 -4.837 2.117 1.00 0.00 C ATOM 575 C GLY A 40 -7.377 -5.764 2.664 1.00 0.00 C ATOM 576 O GLY A 40 -7.682 -6.796 3.264 1.00 0.00 O ATOM 0 H GLY A 40 -10.266 -5.700 1.521 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.325 -4.691 1.046 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.388 -3.856 2.586 1.00 0.00 H new ATOM 580 N ASN A 41 -6.100 -5.486 2.395 1.00 0.00 N ATOM 581 CA ASN A 41 -4.969 -6.287 2.896 1.00 0.00 C ATOM 582 C ASN A 41 -3.959 -5.362 3.572 1.00 0.00 C ATOM 583 O ASN A 41 -4.027 -4.136 3.404 1.00 0.00 O ATOM 584 CB ASN A 41 -4.281 -7.131 1.801 1.00 0.00 C ATOM 585 CG ASN A 41 -4.945 -8.476 1.503 1.00 0.00 C ATOM 586 OD1 ASN A 41 -4.278 -9.441 1.146 1.00 0.00 O ATOM 587 ND2 ASN A 41 -6.245 -8.630 1.677 1.00 0.00 N ATOM 0 H ASN A 41 -5.814 -4.694 1.820 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.371 -7.001 3.615 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.250 -6.547 0.881 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.248 -7.312 2.099 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.677 -9.540 1.515 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -6.817 -7.839 1.974 1.00 0.00 H new ATOM 594 N ALA A 42 -2.987 -5.966 4.266 1.00 0.00 N ATOM 595 CA ALA A 42 -1.933 -5.276 5.003 1.00 0.00 C ATOM 596 C ALA A 42 -1.042 -4.404 4.125 1.00 0.00 C ATOM 597 O ALA A 42 -0.341 -3.546 4.657 1.00 0.00 O ATOM 598 CB ALA A 42 -1.060 -6.285 5.754 1.00 0.00 C ATOM 0 H ALA A 42 -2.914 -6.981 4.329 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.445 -4.614 5.701 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.278 -5.755 6.299 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -1.676 -6.847 6.457 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.604 -6.972 5.042 1.00 0.00 H new ATOM 604 N ASN A 43 -1.043 -4.592 2.799 1.00 0.00 N ATOM 605 CA ASN A 43 -0.212 -3.766 1.932 1.00 0.00 C ATOM 606 C ASN A 43 -0.668 -2.298 1.916 1.00 0.00 C ATOM 607 O ASN A 43 0.042 -1.462 1.361 1.00 0.00 O ATOM 608 CB ASN A 43 -0.184 -4.364 0.524 1.00 0.00 C ATOM 609 CG ASN A 43 -1.298 -3.825 -0.348 1.00 0.00 C ATOM 610 OD1 ASN A 43 -2.458 -4.136 -0.106 1.00 0.00 O ATOM 611 ND2 ASN A 43 -0.973 -2.999 -1.329 1.00 0.00 N ATOM 0 H ASN A 43 -1.601 -5.296 2.316 1.00 0.00 H new ATOM 0 HA ASN A 43 0.801 -3.763 2.333 1.00 0.00 H new ATOM 0 HB2 ASN A 43 0.777 -4.147 0.058 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -0.269 -5.449 0.590 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -1.701 -2.595 -1.918 1.00 0.00 H new ATOM 0 HD22 ASN A 43 0.006 -2.766 -1.496 1.00 0.00 H new ATOM 618 N ARG A 44 -1.787 -1.946 2.550 1.00 0.00 N ATOM 619 CA ARG A 44 -2.293 -0.589 2.566 1.00 0.00 C ATOM 620 C ARG A 44 -1.438 0.327 3.431 1.00 0.00 C ATOM 621 O ARG A 44 -1.048 -0.047 4.540 1.00 0.00 O ATOM 622 CB ARG A 44 -3.689 -0.646 3.203 1.00 0.00 C ATOM 623 CG ARG A 44 -4.458 0.677 3.129 1.00 0.00 C ATOM 624 CD ARG A 44 -5.316 0.957 4.348 1.00 0.00 C ATOM 625 NE ARG A 44 -6.155 2.124 4.066 1.00 0.00 N ATOM 626 CZ ARG A 44 -7.016 2.679 4.918 1.00 0.00 C ATOM 627 NH1 ARG A 44 -7.196 2.156 6.129 1.00 0.00 N ATOM 628 NH2 ARG A 44 -7.688 3.752 4.521 1.00 0.00 N ATOM 0 H ARG A 44 -2.366 -2.606 3.069 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.295 -0.199 1.548 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.272 -1.422 2.708 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.589 -0.939 4.248 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.747 1.493 3.002 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.094 0.668 2.244 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -5.936 0.092 4.582 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.688 1.143 5.219 1.00 0.00 H new ATOM 0 HE ARG A 44 -6.073 2.547 3.141 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -6.673 1.326 6.409 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -7.857 2.585 6.777 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -7.539 4.130 3.586 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -8.354 4.199 5.151 1.00 0.00 H new ATOM 642 N PHE A 45 -1.218 1.543 2.936 1.00 0.00 N ATOM 643 CA PHE A 45 -0.474 2.599 3.603 1.00 0.00 C ATOM 644 C PHE A 45 -1.255 3.896 3.497 1.00 0.00 C ATOM 645 O PHE A 45 -2.125 4.049 2.640 1.00 0.00 O ATOM 646 CB PHE A 45 0.935 2.746 3.028 1.00 0.00 C ATOM 647 CG PHE A 45 1.853 1.746 3.676 1.00 0.00 C ATOM 648 CD1 PHE A 45 2.331 2.002 4.973 1.00 0.00 C ATOM 649 CD2 PHE A 45 2.092 0.505 3.063 1.00 0.00 C ATOM 650 CE1 PHE A 45 3.053 1.016 5.656 1.00 0.00 C ATOM 651 CE2 PHE A 45 2.829 -0.476 3.741 1.00 0.00 C ATOM 652 CZ PHE A 45 3.321 -0.210 5.027 1.00 0.00 C ATOM 0 H PHE A 45 -1.569 1.827 2.022 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.352 2.338 4.654 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.916 2.591 1.949 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.304 3.757 3.199 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.142 2.957 5.441 1.00 0.00 H new ATOM 0 HD2 PHE A 45 1.709 0.307 2.073 1.00 0.00 H new ATOM 0 HE1 PHE A 45 3.402 1.198 6.662 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.017 -1.432 3.275 1.00 0.00 H new ATOM 0 HZ PHE A 45 3.912 -0.956 5.538 1.00 0.00 H new ATOM 662 N ARG A 46 -0.923 4.852 4.362 1.00 0.00 N ATOM 663 CA ARG A 46 -1.559 6.160 4.401 1.00 0.00 C ATOM 664 C ARG A 46 -0.697 7.185 3.683 1.00 0.00 C ATOM 665 O ARG A 46 -1.193 8.261 3.362 1.00 0.00 O ATOM 666 CB ARG A 46 -1.945 6.571 5.838 1.00 0.00 C ATOM 667 CG ARG A 46 -1.029 6.130 6.998 1.00 0.00 C ATOM 668 CD ARG A 46 0.440 6.556 6.893 1.00 0.00 C ATOM 669 NE ARG A 46 0.592 8.019 6.776 1.00 0.00 N ATOM 670 CZ ARG A 46 1.051 8.845 7.722 1.00 0.00 C ATOM 671 NH1 ARG A 46 1.401 8.400 8.918 1.00 0.00 N ATOM 672 NH2 ARG A 46 1.145 10.140 7.462 1.00 0.00 N ATOM 0 H ARG A 46 -0.193 4.734 5.065 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.504 6.108 3.860 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -2.015 7.658 5.865 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.944 6.183 6.037 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.436 6.527 7.928 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.067 5.043 7.072 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.981 6.206 7.772 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.894 6.075 6.027 1.00 0.00 H new ATOM 0 HE ARG A 46 0.321 8.441 5.888 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.323 7.406 9.135 1.00 0.00 H new ATOM 0 HH12 ARG A 46 1.748 9.051 9.623 1.00 0.00 H new ATOM 0 HH21 ARG A 46 0.869 10.498 6.548 1.00 0.00 H new ATOM 0 HH22 ARG A 46 1.494 10.780 8.176 1.00 0.00 H new ATOM 686 N THR A 47 0.586 6.895 3.461 1.00 0.00 N ATOM 687 CA THR A 47 1.492 7.781 2.767 1.00 0.00 C ATOM 688 C THR A 47 2.695 7.001 2.254 1.00 0.00 C ATOM 689 O THR A 47 3.016 5.923 2.769 1.00 0.00 O ATOM 690 CB THR A 47 1.917 8.960 3.663 1.00 0.00 C ATOM 691 OG1 THR A 47 2.540 9.945 2.872 1.00 0.00 O ATOM 692 CG2 THR A 47 2.913 8.516 4.744 1.00 0.00 C ATOM 0 H THR A 47 1.021 6.024 3.766 1.00 0.00 H new ATOM 0 HA THR A 47 0.973 8.207 1.909 1.00 0.00 H new ATOM 0 HB THR A 47 1.021 9.350 4.146 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.810 10.697 3.439 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.191 9.373 5.357 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.452 7.754 5.373 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.804 8.105 4.271 1.00 0.00 H new ATOM 700 N ILE A 48 3.348 7.567 1.243 1.00 0.00 N ATOM 701 CA ILE A 48 4.544 7.011 0.644 1.00 0.00 C ATOM 702 C ILE A 48 5.689 7.160 1.648 1.00 0.00 C ATOM 703 O ILE A 48 6.589 6.333 1.643 1.00 0.00 O ATOM 704 CB ILE A 48 4.874 7.701 -0.700 1.00 0.00 C ATOM 705 CG1 ILE A 48 6.242 7.197 -1.226 1.00 0.00 C ATOM 706 CG2 ILE A 48 4.798 9.243 -0.624 1.00 0.00 C ATOM 707 CD1 ILE A 48 6.541 7.686 -2.645 1.00 0.00 C ATOM 0 H ILE A 48 3.050 8.442 0.813 1.00 0.00 H new ATOM 0 HA ILE A 48 4.389 5.956 0.416 1.00 0.00 H new ATOM 0 HB ILE A 48 4.104 7.420 -1.419 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.032 7.534 -0.555 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.254 6.107 -1.211 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.040 9.668 -1.598 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.790 9.544 -0.337 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.510 9.606 0.117 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.511 7.304 -2.965 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.768 7.327 -3.324 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.558 8.776 -2.658 1.00 0.00 H new ATOM 719 N ASP A 49 5.666 8.172 2.520 1.00 0.00 N ATOM 720 CA ASP A 49 6.728 8.393 3.501 1.00 0.00 C ATOM 721 C ASP A 49 6.848 7.212 4.459 1.00 0.00 C ATOM 722 O ASP A 49 7.946 6.874 4.890 1.00 0.00 O ATOM 723 CB ASP A 49 6.526 9.701 4.275 1.00 0.00 C ATOM 724 CG ASP A 49 7.803 10.148 4.996 1.00 0.00 C ATOM 725 OD1 ASP A 49 8.924 9.849 4.525 1.00 0.00 O ATOM 726 OD2 ASP A 49 7.697 10.853 6.022 1.00 0.00 O ATOM 0 H ASP A 49 4.913 8.858 2.565 1.00 0.00 H new ATOM 0 HA ASP A 49 7.663 8.480 2.947 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.206 10.483 3.587 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.726 9.571 5.003 1.00 0.00 H new ATOM 731 N GLU A 50 5.719 6.580 4.795 1.00 0.00 N ATOM 732 CA GLU A 50 5.694 5.434 5.685 1.00 0.00 C ATOM 733 C GLU A 50 5.977 4.186 4.858 1.00 0.00 C ATOM 734 O GLU A 50 6.764 3.335 5.258 1.00 0.00 O ATOM 735 CB GLU A 50 4.340 5.320 6.393 1.00 0.00 C ATOM 736 CG GLU A 50 4.349 4.228 7.480 1.00 0.00 C ATOM 737 CD GLU A 50 5.416 4.475 8.555 1.00 0.00 C ATOM 738 OE1 GLU A 50 5.322 5.525 9.233 1.00 0.00 O ATOM 739 OE2 GLU A 50 6.349 3.655 8.702 1.00 0.00 O ATOM 0 H GLU A 50 4.799 6.856 4.452 1.00 0.00 H new ATOM 0 HA GLU A 50 6.453 5.550 6.459 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.085 6.279 6.844 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.565 5.096 5.660 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.367 4.182 7.951 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.525 3.258 7.014 1.00 0.00 H new ATOM 746 N CYS A 51 5.355 4.081 3.680 1.00 0.00 N ATOM 747 CA CYS A 51 5.560 2.929 2.826 1.00 0.00 C ATOM 748 C CYS A 51 7.038 2.753 2.474 1.00 0.00 C ATOM 749 O CYS A 51 7.561 1.641 2.482 1.00 0.00 O ATOM 750 CB CYS A 51 4.756 3.070 1.535 1.00 0.00 C ATOM 751 SG CYS A 51 5.275 1.896 0.259 1.00 0.00 S ATOM 0 H CYS A 51 4.712 4.779 3.306 1.00 0.00 H new ATOM 0 HA CYS A 51 5.221 2.052 3.378 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.698 2.921 1.752 1.00 0.00 H new ATOM 0 HB3 CYS A 51 4.863 4.086 1.154 1.00 0.00 H new ATOM 756 N ASN A 52 7.712 3.850 2.132 1.00 0.00 N ATOM 757 CA ASN A 52 9.105 3.800 1.752 1.00 0.00 C ATOM 758 C ASN A 52 9.939 3.438 2.960 1.00 0.00 C ATOM 759 O ASN A 52 10.569 2.386 2.959 1.00 0.00 O ATOM 760 CB ASN A 52 9.548 5.040 0.959 1.00 0.00 C ATOM 761 CG ASN A 52 10.062 6.231 1.751 1.00 0.00 C ATOM 762 OD1 ASN A 52 11.095 6.198 2.416 1.00 0.00 O ATOM 763 ND2 ASN A 52 9.347 7.330 1.640 1.00 0.00 N ATOM 0 H ASN A 52 7.304 4.785 2.113 1.00 0.00 H new ATOM 0 HA ASN A 52 9.270 3.002 1.028 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.331 4.734 0.265 1.00 0.00 H new ATOM 0 HB3 ASN A 52 8.703 5.375 0.358 1.00 0.00 H new ATOM 0 HD21 ASN A 52 9.646 8.183 2.113 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.494 7.329 1.081 1.00 0.00 H new ATOM 770 N ARG A 53 9.814 4.197 4.045 1.00 0.00 N ATOM 771 CA ARG A 53 10.602 3.918 5.245 1.00 0.00 C ATOM 772 C ARG A 53 10.427 2.506 5.801 1.00 0.00 C ATOM 773 O ARG A 53 11.370 1.950 6.362 1.00 0.00 O ATOM 774 CB ARG A 53 10.368 5.003 6.300 1.00 0.00 C ATOM 775 CG ARG A 53 9.140 4.800 7.214 1.00 0.00 C ATOM 776 CD ARG A 53 8.753 5.990 8.116 1.00 0.00 C ATOM 777 NE ARG A 53 9.039 7.284 7.485 1.00 0.00 N ATOM 778 CZ ARG A 53 10.235 7.870 7.443 1.00 0.00 C ATOM 779 NH1 ARG A 53 11.214 7.492 8.267 1.00 0.00 N ATOM 780 NH2 ARG A 53 10.476 8.805 6.544 1.00 0.00 N ATOM 0 H ARG A 53 9.186 4.997 4.120 1.00 0.00 H new ATOM 0 HA ARG A 53 11.649 3.951 4.943 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.257 5.070 6.927 1.00 0.00 H new ATOM 0 HB3 ARG A 53 10.264 5.961 5.791 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.284 4.554 6.586 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.327 3.935 7.851 1.00 0.00 H new ATOM 0 HD2 ARG A 53 7.691 5.932 8.355 1.00 0.00 H new ATOM 0 HD3 ARG A 53 9.296 5.920 9.059 1.00 0.00 H new ATOM 0 HE ARG A 53 8.261 7.773 7.044 1.00 0.00 H new ATOM 0 HH11 ARG A 53 11.052 6.744 8.942 1.00 0.00 H new ATOM 0 HH12 ARG A 53 12.124 7.951 8.222 1.00 0.00 H new ATOM 0 HH21 ARG A 53 9.748 9.077 5.884 1.00 0.00 H new ATOM 0 HH22 ARG A 53 11.390 9.255 6.509 1.00 0.00 H new ATOM 794 N THR A 54 9.261 1.889 5.624 1.00 0.00 N ATOM 795 CA THR A 54 8.994 0.555 6.131 1.00 0.00 C ATOM 796 C THR A 54 9.202 -0.549 5.080 1.00 0.00 C ATOM 797 O THR A 54 9.298 -1.708 5.490 1.00 0.00 O ATOM 798 CB THR A 54 7.575 0.588 6.727 1.00 0.00 C ATOM 799 OG1 THR A 54 7.387 -0.350 7.769 1.00 0.00 O ATOM 800 CG2 THR A 54 6.497 0.322 5.680 1.00 0.00 C ATOM 0 H THR A 54 8.476 2.305 5.123 1.00 0.00 H new ATOM 0 HA THR A 54 9.715 0.288 6.903 1.00 0.00 H new ATOM 0 HB THR A 54 7.478 1.599 7.123 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.470 -0.282 8.109 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.515 0.356 6.152 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.552 1.082 4.900 1.00 0.00 H new ATOM 0 HG23 THR A 54 6.653 -0.662 5.239 1.00 0.00 H new ATOM 808 N CYS A 55 9.321 -0.254 3.775 1.00 0.00 N ATOM 809 CA CYS A 55 9.490 -1.288 2.755 1.00 0.00 C ATOM 810 C CYS A 55 10.627 -1.040 1.772 1.00 0.00 C ATOM 811 O CYS A 55 11.302 -2.008 1.441 1.00 0.00 O ATOM 812 CB CYS A 55 8.173 -1.506 1.991 1.00 0.00 C ATOM 813 SG CYS A 55 6.693 -1.649 3.021 1.00 0.00 S ATOM 0 H CYS A 55 9.302 0.697 3.406 1.00 0.00 H new ATOM 0 HA CYS A 55 9.768 -2.188 3.304 1.00 0.00 H new ATOM 0 HB2 CYS A 55 8.034 -0.677 1.297 1.00 0.00 H new ATOM 0 HB3 CYS A 55 8.266 -2.411 1.391 1.00 0.00 H new ATOM 818 N VAL A 56 10.799 0.178 1.257 1.00 0.00 N ATOM 819 CA VAL A 56 11.843 0.557 0.304 1.00 0.00 C ATOM 820 C VAL A 56 13.210 0.339 0.965 1.00 0.00 C ATOM 821 O VAL A 56 13.736 1.199 1.674 1.00 0.00 O ATOM 822 CB VAL A 56 11.576 1.989 -0.209 1.00 0.00 C ATOM 823 CG1 VAL A 56 12.696 2.607 -1.045 1.00 0.00 C ATOM 824 CG2 VAL A 56 10.309 1.994 -1.089 1.00 0.00 C ATOM 0 H VAL A 56 10.190 0.959 1.502 1.00 0.00 H new ATOM 0 HA VAL A 56 11.837 -0.069 -0.588 1.00 0.00 H new ATOM 0 HB VAL A 56 11.479 2.588 0.696 1.00 0.00 H new ATOM 0 HG11 VAL A 56 12.407 3.611 -1.354 1.00 0.00 H new ATOM 0 HG12 VAL A 56 13.608 2.659 -0.450 1.00 0.00 H new ATOM 0 HG13 VAL A 56 12.873 1.992 -1.928 1.00 0.00 H new ATOM 0 HG21 VAL A 56 10.121 3.005 -1.451 1.00 0.00 H new ATOM 0 HG22 VAL A 56 10.453 1.326 -1.938 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.456 1.655 -0.501 1.00 0.00 H new ATOM 834 N GLY A 57 13.776 -0.850 0.753 1.00 0.00 N ATOM 835 CA GLY A 57 15.063 -1.235 1.305 1.00 0.00 C ATOM 836 C GLY A 57 16.168 -0.911 0.327 1.00 0.00 C ATOM 837 O GLY A 57 15.917 -0.927 -0.895 1.00 0.00 O ATOM 0 H GLY A 57 13.343 -1.578 0.185 1.00 0.00 H new ATOM 0 HA2 GLY A 57 15.235 -0.712 2.246 1.00 0.00 H new ATOM 0 HA3 GLY A 57 15.067 -2.302 1.529 1.00 0.00 H new TER 841 GLY A 57