USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 395 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 TYR OH : rot 98:sc= 0.19 USER MOD Set 1.2: A 23 GLN : amide:sc= -0.683 K(o=-0.49,f=-7.4!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= -0.594 USER MOD Single : A 31 LYS NZ :NH3+ 151:sc= 0.628 (180deg=0.219) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 127:sc= 0.425 USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 41:sc= 0.0641 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN :FLIP amide:sc= -0.425 F(o=-1.6!,f=-0.43) USER MOD Single : A 58 HIS : no HD1:sc= -0.0423 X(o=-0.042,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -5.768 6.364 -7.348 1.00 0.00 N ATOM 60 CA GLY A 7 -5.353 5.459 -6.289 1.00 0.00 C ATOM 61 C GLY A 7 -4.433 6.167 -5.293 1.00 0.00 C ATOM 62 O GLY A 7 -4.195 7.368 -5.408 1.00 0.00 O ATOM 0 HA2 GLY A 7 -6.231 5.075 -5.769 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.837 4.601 -6.720 1.00 0.00 H new ATOM 66 N GLU A 8 -3.940 5.392 -4.338 1.00 0.00 N ATOM 67 CA GLU A 8 -3.051 5.930 -3.322 1.00 0.00 C ATOM 68 C GLU A 8 -1.671 5.277 -3.426 1.00 0.00 C ATOM 69 O GLU A 8 -1.556 4.053 -3.402 1.00 0.00 O ATOM 70 CB GLU A 8 -3.641 5.745 -1.923 1.00 0.00 C ATOM 71 CG GLU A 8 -4.785 6.731 -1.676 1.00 0.00 C ATOM 72 CD GLU A 8 -5.039 6.912 -0.178 1.00 0.00 C ATOM 73 OE1 GLU A 8 -5.533 5.941 0.435 1.00 0.00 O ATOM 74 OE2 GLU A 8 -4.733 8.017 0.320 1.00 0.00 O ATOM 0 H GLU A 8 -4.139 4.396 -4.246 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.939 7.001 -3.494 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.005 4.724 -1.810 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.863 5.890 -1.174 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.544 7.694 -2.127 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.692 6.370 -2.161 1.00 0.00 H new ATOM 81 N GLU A 9 -0.658 6.124 -3.538 1.00 0.00 N ATOM 82 CA GLU A 9 0.710 5.645 -3.645 1.00 0.00 C ATOM 83 C GLU A 9 1.282 5.359 -2.255 1.00 0.00 C ATOM 84 O GLU A 9 1.541 6.282 -1.484 1.00 0.00 O ATOM 85 CB GLU A 9 1.584 6.647 -4.402 1.00 0.00 C ATOM 86 CG GLU A 9 2.034 6.074 -5.748 1.00 0.00 C ATOM 87 CD GLU A 9 3.539 5.798 -5.751 1.00 0.00 C ATOM 88 OE1 GLU A 9 4.083 5.607 -4.642 1.00 0.00 O ATOM 89 OE2 GLU A 9 4.111 5.785 -6.862 1.00 0.00 O ATOM 0 H GLU A 9 -0.757 7.139 -3.557 1.00 0.00 H new ATOM 0 HA GLU A 9 0.706 4.715 -4.213 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.028 7.571 -4.563 1.00 0.00 H new ATOM 0 HB3 GLU A 9 2.457 6.901 -3.801 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.491 5.152 -5.954 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.788 6.774 -6.546 1.00 0.00 H new ATOM 96 N PHE A 10 1.463 4.076 -1.977 1.00 0.00 N ATOM 97 CA PHE A 10 2.000 3.657 -0.694 1.00 0.00 C ATOM 98 C PHE A 10 3.388 3.034 -0.857 1.00 0.00 C ATOM 99 O PHE A 10 3.732 2.551 -1.935 1.00 0.00 O ATOM 100 CB PHE A 10 1.044 2.604 -0.131 1.00 0.00 C ATOM 101 CG PHE A 10 -0.071 3.179 0.744 1.00 0.00 C ATOM 102 CD1 PHE A 10 -1.171 3.733 0.167 1.00 0.00 C ATOM 103 CD2 PHE A 10 0.037 3.136 2.099 1.00 0.00 C ATOM 104 CE1 PHE A 10 -2.206 4.267 0.979 1.00 0.00 C ATOM 105 CE2 PHE A 10 -0.998 3.671 2.911 1.00 0.00 C ATOM 106 CZ PHE A 10 -2.098 4.225 2.334 1.00 0.00 C ATOM 0 H PHE A 10 1.247 3.313 -2.619 1.00 0.00 H new ATOM 0 HA PHE A 10 2.093 4.517 -0.031 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.595 2.056 -0.959 1.00 0.00 H new ATOM 0 HB3 PHE A 10 1.617 1.885 0.454 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.257 3.767 -0.909 1.00 0.00 H new ATOM 0 HD2 PHE A 10 0.910 2.695 2.557 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -3.079 4.707 0.520 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.912 3.638 3.987 1.00 0.00 H new ATOM 0 HZ PHE A 10 -2.885 4.631 2.952 1.00 0.00 H new ATOM 116 N VAL A 11 4.147 3.065 0.228 1.00 0.00 N ATOM 117 CA VAL A 11 5.489 2.509 0.219 1.00 0.00 C ATOM 118 C VAL A 11 5.559 1.338 1.201 1.00 0.00 C ATOM 119 O VAL A 11 4.985 1.400 2.288 1.00 0.00 O ATOM 120 CB VAL A 11 6.512 3.606 0.523 1.00 0.00 C ATOM 121 CG1 VAL A 11 7.723 3.036 1.264 1.00 0.00 C ATOM 122 CG2 VAL A 11 6.941 4.326 -0.757 1.00 0.00 C ATOM 0 H VAL A 11 3.858 3.467 1.120 1.00 0.00 H new ATOM 0 HA VAL A 11 5.734 2.119 -0.769 1.00 0.00 H new ATOM 0 HB VAL A 11 6.035 4.338 1.175 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.435 3.836 1.468 1.00 0.00 H new ATOM 0 HG12 VAL A 11 7.398 2.591 2.205 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.201 2.274 0.648 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.668 5.100 -0.513 1.00 0.00 H new ATOM 0 HG22 VAL A 11 7.391 3.609 -1.444 1.00 0.00 H new ATOM 0 HG23 VAL A 11 6.070 4.782 -1.228 1.00 0.00 H new ATOM 132 N ALA A 12 6.266 0.299 0.784 1.00 0.00 N ATOM 133 CA ALA A 12 6.418 -0.885 1.613 1.00 0.00 C ATOM 134 C ALA A 12 7.347 -0.565 2.786 1.00 0.00 C ATOM 135 O ALA A 12 8.513 -0.229 2.584 1.00 0.00 O ATOM 136 CB ALA A 12 6.935 -2.044 0.759 1.00 0.00 C ATOM 0 H ALA A 12 6.741 0.252 -0.118 1.00 0.00 H new ATOM 0 HA ALA A 12 5.457 -1.189 2.027 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.049 -2.932 1.381 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.225 -2.251 -0.042 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.900 -1.776 0.328 1.00 0.00 H new ATOM 142 N ILE A 13 6.795 -0.679 3.985 1.00 0.00 N ATOM 143 CA ILE A 13 7.560 -0.406 5.190 1.00 0.00 C ATOM 144 C ILE A 13 8.584 -1.523 5.402 1.00 0.00 C ATOM 145 O ILE A 13 9.502 -1.383 6.209 1.00 0.00 O ATOM 146 CB ILE A 13 6.625 -0.195 6.382 1.00 0.00 C ATOM 147 CG1 ILE A 13 5.693 -1.394 6.567 1.00 0.00 C ATOM 148 CG2 ILE A 13 5.849 1.117 6.244 1.00 0.00 C ATOM 149 CD1 ILE A 13 5.476 -1.695 8.052 1.00 0.00 C ATOM 0 H ILE A 13 5.827 -0.957 4.148 1.00 0.00 H new ATOM 0 HA ILE A 13 8.119 0.524 5.084 1.00 0.00 H new ATOM 0 HB ILE A 13 7.233 -0.117 7.283 1.00 0.00 H new ATOM 0 HG12 ILE A 13 4.734 -1.191 6.089 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.117 -2.268 6.073 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.192 1.243 7.104 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.549 1.951 6.197 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.253 1.093 5.332 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.810 -2.551 8.156 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.434 -1.921 8.521 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.030 -0.827 8.538 1.00 0.00 H new ATOM 161 N ALA A 14 8.393 -2.606 4.664 1.00 0.00 N ATOM 162 CA ALA A 14 9.289 -3.746 4.762 1.00 0.00 C ATOM 163 C ALA A 14 9.000 -4.716 3.614 1.00 0.00 C ATOM 164 O ALA A 14 7.846 -4.914 3.240 1.00 0.00 O ATOM 165 CB ALA A 14 9.131 -4.404 6.134 1.00 0.00 C ATOM 0 H ALA A 14 7.631 -2.719 3.995 1.00 0.00 H new ATOM 0 HA ALA A 14 10.327 -3.427 4.671 1.00 0.00 H new ATOM 0 HB1 ALA A 14 9.803 -5.259 6.207 1.00 0.00 H new ATOM 0 HB2 ALA A 14 9.375 -3.683 6.914 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.102 -4.740 6.260 1.00 0.00 H new ATOM 171 N ASP A 15 10.070 -5.294 3.087 1.00 0.00 N ATOM 172 CA ASP A 15 9.946 -6.238 1.989 1.00 0.00 C ATOM 173 C ASP A 15 9.065 -7.409 2.427 1.00 0.00 C ATOM 174 O ASP A 15 9.119 -7.834 3.580 1.00 0.00 O ATOM 175 CB ASP A 15 11.312 -6.797 1.588 1.00 0.00 C ATOM 176 CG ASP A 15 11.838 -7.922 2.481 1.00 0.00 C ATOM 177 OD1 ASP A 15 12.307 -7.593 3.592 1.00 0.00 O ATOM 178 OD2 ASP A 15 11.760 -9.087 2.033 1.00 0.00 O ATOM 0 H ASP A 15 11.026 -5.127 3.400 1.00 0.00 H new ATOM 0 HA ASP A 15 9.508 -5.714 1.140 1.00 0.00 H new ATOM 0 HB2 ASP A 15 11.251 -7.165 0.564 1.00 0.00 H new ATOM 0 HB3 ASP A 15 12.036 -5.982 1.591 1.00 0.00 H new ATOM 183 N TYR A 16 8.275 -7.899 1.483 1.00 0.00 N ATOM 184 CA TYR A 16 7.384 -9.014 1.757 1.00 0.00 C ATOM 185 C TYR A 16 7.470 -10.069 0.652 1.00 0.00 C ATOM 186 O TYR A 16 7.945 -9.785 -0.447 1.00 0.00 O ATOM 187 CB TYR A 16 5.971 -8.428 1.777 1.00 0.00 C ATOM 188 CG TYR A 16 4.861 -9.481 1.791 1.00 0.00 C ATOM 189 CD1 TYR A 16 4.783 -10.388 2.828 1.00 0.00 C ATOM 190 CD2 TYR A 16 3.938 -9.524 0.765 1.00 0.00 C ATOM 191 CE1 TYR A 16 3.738 -11.380 2.841 1.00 0.00 C ATOM 192 CE2 TYR A 16 2.894 -10.516 0.778 1.00 0.00 C ATOM 193 CZ TYR A 16 2.845 -11.394 1.815 1.00 0.00 C ATOM 194 OH TYR A 16 1.859 -12.330 1.827 1.00 0.00 O ATOM 0 H TYR A 16 8.233 -7.544 0.528 1.00 0.00 H new ATOM 0 HA TYR A 16 7.650 -9.497 2.697 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.865 -7.792 2.655 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.841 -7.789 0.903 1.00 0.00 H new ATOM 0 HD1 TYR A 16 5.505 -10.354 3.630 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.999 -8.814 -0.047 1.00 0.00 H new ATOM 0 HE1 TYR A 16 3.665 -12.096 3.647 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.166 -10.561 -0.018 1.00 0.00 H new ATOM 0 HH TYR A 16 1.037 -11.935 2.187 1.00 0.00 H new ATOM 204 N ALA A 17 7.003 -11.264 0.981 1.00 0.00 N ATOM 205 CA ALA A 17 7.021 -12.363 0.031 1.00 0.00 C ATOM 206 C ALA A 17 5.645 -13.032 0.005 1.00 0.00 C ATOM 207 O ALA A 17 5.269 -13.721 0.951 1.00 0.00 O ATOM 208 CB ALA A 17 8.138 -13.340 0.401 1.00 0.00 C ATOM 0 H ALA A 17 6.609 -11.496 1.893 1.00 0.00 H new ATOM 0 HA ALA A 17 7.228 -11.997 -0.975 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.151 -14.164 -0.312 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.097 -12.823 0.375 1.00 0.00 H new ATOM 0 HB3 ALA A 17 7.963 -13.730 1.404 1.00 0.00 H new ATOM 214 N ALA A 18 4.933 -12.805 -1.089 1.00 0.00 N ATOM 215 CA ALA A 18 3.607 -13.377 -1.250 1.00 0.00 C ATOM 216 C ALA A 18 3.677 -14.889 -1.022 1.00 0.00 C ATOM 217 O ALA A 18 4.433 -15.587 -1.696 1.00 0.00 O ATOM 218 CB ALA A 18 3.062 -13.022 -2.635 1.00 0.00 C ATOM 0 H ALA A 18 5.249 -12.233 -1.872 1.00 0.00 H new ATOM 0 HA ALA A 18 2.919 -12.963 -0.513 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.067 -13.451 -2.756 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.004 -11.938 -2.737 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.726 -13.423 -3.401 1.00 0.00 H new ATOM 224 N THR A 19 2.880 -15.349 -0.069 1.00 0.00 N ATOM 225 CA THR A 19 2.842 -16.764 0.256 1.00 0.00 C ATOM 226 C THR A 19 1.923 -17.510 -0.713 1.00 0.00 C ATOM 227 O THR A 19 2.056 -18.719 -0.894 1.00 0.00 O ATOM 228 CB THR A 19 2.421 -16.902 1.721 1.00 0.00 C ATOM 229 OG1 THR A 19 3.642 -17.158 2.410 1.00 0.00 O ATOM 230 CG2 THR A 19 1.581 -18.155 1.973 1.00 0.00 C ATOM 0 H THR A 19 2.255 -14.766 0.489 1.00 0.00 H new ATOM 0 HA THR A 19 3.824 -17.222 0.140 1.00 0.00 H new ATOM 0 HB THR A 19 1.855 -16.020 2.021 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.462 -17.259 3.368 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.309 -18.205 3.027 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.676 -18.115 1.366 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.158 -19.040 1.705 1.00 0.00 H new ATOM 238 N ASP A 20 1.011 -16.758 -1.310 1.00 0.00 N ATOM 239 CA ASP A 20 0.069 -17.332 -2.256 1.00 0.00 C ATOM 240 C ASP A 20 0.241 -16.653 -3.617 1.00 0.00 C ATOM 241 O ASP A 20 1.109 -15.797 -3.782 1.00 0.00 O ATOM 242 CB ASP A 20 -1.374 -17.115 -1.798 1.00 0.00 C ATOM 243 CG ASP A 20 -1.614 -17.315 -0.300 1.00 0.00 C ATOM 244 OD1 ASP A 20 -1.608 -18.491 0.124 1.00 0.00 O ATOM 245 OD2 ASP A 20 -1.798 -16.287 0.387 1.00 0.00 O ATOM 0 H ASP A 20 0.904 -15.755 -1.157 1.00 0.00 H new ATOM 0 HA ASP A 20 0.269 -18.401 -2.323 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -1.676 -16.103 -2.067 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.021 -17.798 -2.349 1.00 0.00 H new ATOM 250 N GLU A 21 -0.601 -17.059 -4.556 1.00 0.00 N ATOM 251 CA GLU A 21 -0.553 -16.500 -5.896 1.00 0.00 C ATOM 252 C GLU A 21 -1.609 -15.404 -6.052 1.00 0.00 C ATOM 253 O GLU A 21 -1.961 -15.030 -7.169 1.00 0.00 O ATOM 254 CB GLU A 21 -0.737 -17.592 -6.952 1.00 0.00 C ATOM 255 CG GLU A 21 -2.092 -18.285 -6.794 1.00 0.00 C ATOM 256 CD GLU A 21 -2.465 -19.054 -8.063 1.00 0.00 C ATOM 257 OE1 GLU A 21 -2.101 -18.562 -9.153 1.00 0.00 O ATOM 258 OE2 GLU A 21 -3.107 -20.117 -7.915 1.00 0.00 O ATOM 0 H GLU A 21 -1.320 -17.768 -4.415 1.00 0.00 H new ATOM 0 HA GLU A 21 0.430 -16.055 -6.048 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.662 -17.156 -7.948 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.064 -18.326 -6.864 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.058 -18.969 -5.946 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.860 -17.544 -6.574 1.00 0.00 H new ATOM 265 N THR A 22 -2.084 -14.919 -4.914 1.00 0.00 N ATOM 266 CA THR A 22 -3.093 -13.873 -4.910 1.00 0.00 C ATOM 267 C THR A 22 -2.553 -12.614 -4.227 1.00 0.00 C ATOM 268 O THR A 22 -3.220 -11.581 -4.204 1.00 0.00 O ATOM 269 CB THR A 22 -4.352 -14.432 -4.244 1.00 0.00 C ATOM 270 OG1 THR A 22 -3.929 -14.761 -2.924 1.00 0.00 O ATOM 271 CG2 THR A 22 -4.784 -15.772 -4.842 1.00 0.00 C ATOM 0 H THR A 22 -1.789 -15.231 -3.989 1.00 0.00 H new ATOM 0 HA THR A 22 -3.352 -13.570 -5.924 1.00 0.00 H new ATOM 0 HB THR A 22 -5.165 -13.712 -4.341 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.685 -15.129 -2.421 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.682 -16.125 -4.334 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.994 -15.646 -5.904 1.00 0.00 H new ATOM 0 HG23 THR A 22 -3.985 -16.502 -4.715 1.00 0.00 H new ATOM 279 N GLN A 23 -1.349 -12.742 -3.688 1.00 0.00 N ATOM 280 CA GLN A 23 -0.712 -11.628 -3.007 1.00 0.00 C ATOM 281 C GLN A 23 0.371 -11.012 -3.896 1.00 0.00 C ATOM 282 O GLN A 23 0.856 -11.655 -4.825 1.00 0.00 O ATOM 283 CB GLN A 23 -0.132 -12.068 -1.661 1.00 0.00 C ATOM 284 CG GLN A 23 -1.240 -12.268 -0.626 1.00 0.00 C ATOM 285 CD GLN A 23 -0.660 -12.700 0.722 1.00 0.00 C ATOM 286 OE1 GLN A 23 -0.551 -11.925 1.658 1.00 0.00 O ATOM 287 NE2 GLN A 23 -0.296 -13.978 0.769 1.00 0.00 N ATOM 0 H GLN A 23 -0.798 -13.600 -3.709 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.468 -10.868 -2.809 1.00 0.00 H new ATOM 0 HB2 GLN A 23 0.425 -12.997 -1.787 1.00 0.00 H new ATOM 0 HB3 GLN A 23 0.574 -11.319 -1.303 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.800 -11.341 -0.504 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.943 -13.021 -0.982 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -0.415 -14.573 -0.051 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.102 -14.364 1.625 1.00 0.00 H new ATOM 296 N LEU A 24 0.718 -9.774 -3.578 1.00 0.00 N ATOM 297 CA LEU A 24 1.734 -9.064 -4.336 1.00 0.00 C ATOM 298 C LEU A 24 3.015 -8.975 -3.504 1.00 0.00 C ATOM 299 O LEU A 24 2.959 -8.826 -2.285 1.00 0.00 O ATOM 300 CB LEU A 24 1.206 -7.704 -4.799 1.00 0.00 C ATOM 301 CG LEU A 24 0.192 -7.733 -5.944 1.00 0.00 C ATOM 302 CD1 LEU A 24 -0.063 -6.325 -6.486 1.00 0.00 C ATOM 303 CD2 LEU A 24 0.635 -8.699 -7.044 1.00 0.00 C ATOM 0 H LEU A 24 0.314 -9.244 -2.806 1.00 0.00 H new ATOM 0 HA LEU A 24 1.981 -9.610 -5.246 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.747 -7.205 -3.946 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.054 -7.093 -5.107 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.755 -8.104 -5.552 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.787 -6.374 -7.299 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.455 -5.694 -5.688 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.871 -5.903 -6.857 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.103 -8.701 -7.846 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.600 -8.382 -7.440 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.725 -9.704 -6.631 1.00 0.00 H new ATOM 315 N SER A 25 4.141 -9.070 -4.197 1.00 0.00 N ATOM 316 CA SER A 25 5.434 -9.002 -3.538 1.00 0.00 C ATOM 317 C SER A 25 6.165 -7.723 -3.951 1.00 0.00 C ATOM 318 O SER A 25 6.228 -7.394 -5.135 1.00 0.00 O ATOM 319 CB SER A 25 6.284 -10.230 -3.866 1.00 0.00 C ATOM 320 OG SER A 25 6.303 -10.508 -5.264 1.00 0.00 O ATOM 0 H SER A 25 4.184 -9.194 -5.209 1.00 0.00 H new ATOM 0 HA SER A 25 5.269 -8.986 -2.461 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.303 -10.070 -3.514 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.894 -11.095 -3.330 1.00 0.00 H new ATOM 0 HG SER A 25 6.858 -11.298 -5.433 1.00 0.00 H new ATOM 326 N PHE A 26 6.701 -7.037 -2.952 1.00 0.00 N ATOM 327 CA PHE A 26 7.426 -5.802 -3.197 1.00 0.00 C ATOM 328 C PHE A 26 8.615 -5.666 -2.244 1.00 0.00 C ATOM 329 O PHE A 26 8.813 -6.507 -1.369 1.00 0.00 O ATOM 330 CB PHE A 26 6.449 -4.652 -2.943 1.00 0.00 C ATOM 331 CG PHE A 26 5.442 -4.927 -1.825 1.00 0.00 C ATOM 332 CD1 PHE A 26 5.788 -4.708 -0.529 1.00 0.00 C ATOM 333 CD2 PHE A 26 4.200 -5.391 -2.129 1.00 0.00 C ATOM 334 CE1 PHE A 26 4.852 -4.963 0.509 1.00 0.00 C ATOM 335 CE2 PHE A 26 3.264 -5.646 -1.091 1.00 0.00 C ATOM 336 CZ PHE A 26 3.610 -5.427 0.206 1.00 0.00 C ATOM 0 H PHE A 26 6.648 -7.313 -1.972 1.00 0.00 H new ATOM 0 HA PHE A 26 7.810 -5.792 -4.217 1.00 0.00 H new ATOM 0 HB2 PHE A 26 7.016 -3.755 -2.695 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.905 -4.441 -3.864 1.00 0.00 H new ATOM 0 HD1 PHE A 26 6.774 -4.340 -0.288 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.926 -5.565 -3.159 1.00 0.00 H new ATOM 0 HE1 PHE A 26 5.127 -4.788 1.539 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.278 -6.014 -1.332 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.899 -5.622 0.995 1.00 0.00 H new ATOM 346 N LEU A 27 9.375 -4.599 -2.446 1.00 0.00 N ATOM 347 CA LEU A 27 10.539 -4.342 -1.615 1.00 0.00 C ATOM 348 C LEU A 27 10.368 -2.996 -0.908 1.00 0.00 C ATOM 349 O LEU A 27 9.838 -2.049 -1.487 1.00 0.00 O ATOM 350 CB LEU A 27 11.821 -4.443 -2.443 1.00 0.00 C ATOM 351 CG LEU A 27 12.833 -3.311 -2.255 1.00 0.00 C ATOM 352 CD1 LEU A 27 13.582 -3.459 -0.929 1.00 0.00 C ATOM 353 CD2 LEU A 27 13.788 -3.225 -3.447 1.00 0.00 C ATOM 0 H LEU A 27 9.207 -3.903 -3.173 1.00 0.00 H new ATOM 0 HA LEU A 27 10.628 -5.102 -0.838 1.00 0.00 H new ATOM 0 HB2 LEU A 27 12.312 -5.386 -2.202 1.00 0.00 H new ATOM 0 HB3 LEU A 27 11.546 -4.487 -3.497 1.00 0.00 H new ATOM 0 HG LEU A 27 12.287 -2.369 -2.212 1.00 0.00 H new ATOM 0 HD11 LEU A 27 14.295 -2.642 -0.821 1.00 0.00 H new ATOM 0 HD12 LEU A 27 12.870 -3.431 -0.104 1.00 0.00 H new ATOM 0 HD13 LEU A 27 14.115 -4.410 -0.916 1.00 0.00 H new ATOM 0 HD21 LEU A 27 14.497 -2.412 -3.288 1.00 0.00 H new ATOM 0 HD22 LEU A 27 14.330 -4.165 -3.547 1.00 0.00 H new ATOM 0 HD23 LEU A 27 13.218 -3.036 -4.357 1.00 0.00 H new ATOM 365 N ARG A 28 10.827 -2.953 0.334 1.00 0.00 N ATOM 366 CA ARG A 28 10.732 -1.739 1.126 1.00 0.00 C ATOM 367 C ARG A 28 11.062 -0.517 0.266 1.00 0.00 C ATOM 368 O ARG A 28 12.202 -0.343 -0.160 1.00 0.00 O ATOM 369 CB ARG A 28 11.686 -1.785 2.322 1.00 0.00 C ATOM 370 CG ARG A 28 11.692 -0.450 3.070 1.00 0.00 C ATOM 371 CD ARG A 28 12.657 -0.491 4.256 1.00 0.00 C ATOM 372 NE ARG A 28 13.449 0.758 4.308 1.00 0.00 N ATOM 373 CZ ARG A 28 14.450 1.048 3.466 1.00 0.00 C ATOM 374 NH1 ARG A 28 14.789 0.180 2.503 1.00 0.00 N ATOM 375 NH2 ARG A 28 15.114 2.206 3.587 1.00 0.00 N ATOM 0 H ARG A 28 11.266 -3.740 0.812 1.00 0.00 H new ATOM 0 HA ARG A 28 9.709 -1.663 1.495 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.387 -2.584 3.000 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.694 -2.018 1.979 1.00 0.00 H new ATOM 0 HG2 ARG A 28 11.980 0.351 2.389 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.686 -0.222 3.423 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.100 -0.617 5.184 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.322 -1.350 4.165 1.00 0.00 H new ATOM 0 HE ARG A 28 13.218 1.441 5.030 1.00 0.00 H new ATOM 0 HH11 ARG A 28 14.285 -0.702 2.411 1.00 0.00 H new ATOM 0 HH12 ARG A 28 15.551 0.401 1.862 1.00 0.00 H new ATOM 0 HH21 ARG A 28 14.857 2.867 4.320 1.00 0.00 H new ATOM 0 HH22 ARG A 28 15.876 2.426 2.946 1.00 0.00 H new ATOM 389 N GLY A 29 10.042 0.297 0.036 1.00 0.00 N ATOM 390 CA GLY A 29 10.209 1.498 -0.765 1.00 0.00 C ATOM 391 C GLY A 29 9.335 1.445 -2.020 1.00 0.00 C ATOM 392 O GLY A 29 8.781 2.461 -2.438 1.00 0.00 O ATOM 0 H GLY A 29 9.097 0.148 0.390 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.948 2.374 -0.172 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.255 1.607 -1.050 1.00 0.00 H new ATOM 396 N GLU A 30 9.239 0.251 -2.586 1.00 0.00 N ATOM 397 CA GLU A 30 8.442 0.053 -3.784 1.00 0.00 C ATOM 398 C GLU A 30 7.136 0.844 -3.690 1.00 0.00 C ATOM 399 O GLU A 30 6.441 0.784 -2.677 1.00 0.00 O ATOM 400 CB GLU A 30 8.167 -1.434 -4.020 1.00 0.00 C ATOM 401 CG GLU A 30 9.059 -1.987 -5.133 1.00 0.00 C ATOM 402 CD GLU A 30 8.245 -2.276 -6.396 1.00 0.00 C ATOM 403 OE1 GLU A 30 7.886 -1.292 -7.077 1.00 0.00 O ATOM 404 OE2 GLU A 30 8.000 -3.475 -6.651 1.00 0.00 O ATOM 0 H GLU A 30 9.700 -0.589 -2.237 1.00 0.00 H new ATOM 0 HA GLU A 30 9.008 0.424 -4.638 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.342 -1.990 -3.099 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.119 -1.576 -4.285 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.848 -1.271 -5.361 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.546 -2.901 -4.793 1.00 0.00 H new ATOM 411 N LYS A 31 6.842 1.568 -4.760 1.00 0.00 N ATOM 412 CA LYS A 31 5.632 2.371 -4.811 1.00 0.00 C ATOM 413 C LYS A 31 4.433 1.460 -5.084 1.00 0.00 C ATOM 414 O LYS A 31 4.217 1.034 -6.217 1.00 0.00 O ATOM 415 CB LYS A 31 5.785 3.507 -5.825 1.00 0.00 C ATOM 416 CG LYS A 31 6.473 4.717 -5.192 1.00 0.00 C ATOM 417 CD LYS A 31 7.993 4.537 -5.174 1.00 0.00 C ATOM 418 CE LYS A 31 8.599 5.119 -3.895 1.00 0.00 C ATOM 419 NZ LYS A 31 10.000 4.670 -3.735 1.00 0.00 N ATOM 0 H LYS A 31 7.421 1.615 -5.598 1.00 0.00 H new ATOM 0 HA LYS A 31 5.454 2.854 -3.850 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.365 3.160 -6.680 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.804 3.798 -6.202 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.217 5.618 -5.749 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.108 4.856 -4.175 1.00 0.00 H new ATOM 0 HD2 LYS A 31 8.238 3.477 -5.247 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.431 5.027 -6.044 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.562 6.208 -3.930 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.010 4.808 -3.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.537 5.390 -3.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.019 3.773 -3.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.429 4.532 -4.672 1.00 0.00 H new ATOM 433 N ILE A 32 3.683 1.190 -4.025 1.00 0.00 N ATOM 434 CA ILE A 32 2.512 0.338 -4.136 1.00 0.00 C ATOM 435 C ILE A 32 1.267 1.211 -4.308 1.00 0.00 C ATOM 436 O ILE A 32 1.214 2.330 -3.802 1.00 0.00 O ATOM 437 CB ILE A 32 2.431 -0.620 -2.946 1.00 0.00 C ATOM 438 CG1 ILE A 32 3.814 -1.172 -2.591 1.00 0.00 C ATOM 439 CG2 ILE A 32 1.418 -1.737 -3.208 1.00 0.00 C ATOM 440 CD1 ILE A 32 4.256 -2.232 -3.602 1.00 0.00 C ATOM 0 H ILE A 32 3.864 1.546 -3.087 1.00 0.00 H new ATOM 0 HA ILE A 32 2.584 -0.295 -5.020 1.00 0.00 H new ATOM 0 HB ILE A 32 2.076 -0.060 -2.081 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.540 -0.359 -2.570 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.791 -1.605 -1.591 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.380 -2.404 -2.346 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.432 -1.303 -3.374 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.719 -2.301 -4.091 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.241 -2.608 -3.327 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.541 -3.055 -3.603 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.301 -1.789 -4.597 1.00 0.00 H new ATOM 452 N LEU A 33 0.295 0.665 -5.025 1.00 0.00 N ATOM 453 CA LEU A 33 -0.946 1.379 -5.270 1.00 0.00 C ATOM 454 C LEU A 33 -2.097 0.648 -4.575 1.00 0.00 C ATOM 455 O LEU A 33 -2.308 -0.542 -4.803 1.00 0.00 O ATOM 456 CB LEU A 33 -1.162 1.579 -6.771 1.00 0.00 C ATOM 457 CG LEU A 33 -1.525 2.997 -7.214 1.00 0.00 C ATOM 458 CD1 LEU A 33 -2.708 3.537 -6.408 1.00 0.00 C ATOM 459 CD2 LEU A 33 -0.310 3.923 -7.139 1.00 0.00 C ATOM 0 H LEU A 33 0.342 -0.264 -5.444 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.900 2.380 -4.842 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.253 1.279 -7.292 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.954 0.904 -7.097 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.837 2.959 -8.258 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.946 4.547 -6.743 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.574 2.892 -6.557 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.448 3.557 -5.350 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.596 4.925 -7.459 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.056 3.961 -6.113 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.477 3.544 -7.791 1.00 0.00 H new ATOM 471 N ILE A 34 -2.809 1.391 -3.741 1.00 0.00 N ATOM 472 CA ILE A 34 -3.933 0.828 -3.011 1.00 0.00 C ATOM 473 C ILE A 34 -5.236 1.212 -3.715 1.00 0.00 C ATOM 474 O ILE A 34 -5.706 2.342 -3.585 1.00 0.00 O ATOM 475 CB ILE A 34 -3.881 1.248 -1.541 1.00 0.00 C ATOM 476 CG1 ILE A 34 -2.496 0.988 -0.945 1.00 0.00 C ATOM 477 CG2 ILE A 34 -4.988 0.564 -0.736 1.00 0.00 C ATOM 478 CD1 ILE A 34 -1.995 -0.410 -1.311 1.00 0.00 C ATOM 0 H ILE A 34 -2.630 2.378 -3.554 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.880 -0.261 -3.009 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.059 2.322 -1.486 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.793 1.737 -1.309 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.538 1.091 0.139 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.929 0.880 0.306 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.960 0.842 -1.145 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.865 -0.517 -0.795 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.009 -0.569 -0.875 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.688 -1.158 -0.924 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.931 -0.501 -2.395 1.00 0.00 H new ATOM 490 N LEU A 35 -5.783 0.251 -4.445 1.00 0.00 N ATOM 491 CA LEU A 35 -7.023 0.475 -5.169 1.00 0.00 C ATOM 492 C LEU A 35 -8.182 0.557 -4.173 1.00 0.00 C ATOM 493 O LEU A 35 -8.773 1.620 -3.991 1.00 0.00 O ATOM 494 CB LEU A 35 -7.213 -0.594 -6.247 1.00 0.00 C ATOM 495 CG LEU A 35 -6.237 -0.541 -7.424 1.00 0.00 C ATOM 496 CD1 LEU A 35 -6.092 0.887 -7.952 1.00 0.00 C ATOM 497 CD2 LEU A 35 -4.886 -1.151 -7.043 1.00 0.00 C ATOM 0 H LEU A 35 -5.390 -0.684 -4.551 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.989 1.427 -5.698 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.131 -1.574 -5.777 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.227 -0.511 -6.638 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.646 -1.144 -8.235 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.393 0.897 -8.788 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.063 1.251 -8.287 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.717 1.532 -7.158 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.210 -1.101 -7.897 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.458 -0.595 -6.209 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.026 -2.192 -6.752 1.00 0.00 H new ATOM 509 N ARG A 36 -8.472 -0.578 -3.556 1.00 0.00 N ATOM 510 CA ARG A 36 -9.549 -0.647 -2.584 1.00 0.00 C ATOM 511 C ARG A 36 -9.021 -1.157 -1.241 1.00 0.00 C ATOM 512 O ARG A 36 -7.891 -1.634 -1.155 1.00 0.00 O ATOM 513 CB ARG A 36 -10.669 -1.572 -3.067 1.00 0.00 C ATOM 514 CG ARG A 36 -11.336 -1.013 -4.325 1.00 0.00 C ATOM 515 CD ARG A 36 -12.701 -1.664 -4.558 1.00 0.00 C ATOM 516 NE ARG A 36 -13.781 -0.704 -4.240 1.00 0.00 N ATOM 517 CZ ARG A 36 -15.067 -1.045 -4.081 1.00 0.00 C ATOM 518 NH1 ARG A 36 -15.441 -2.325 -4.209 1.00 0.00 N ATOM 519 NH2 ARG A 36 -15.979 -0.106 -3.794 1.00 0.00 N ATOM 0 H ARG A 36 -7.980 -1.458 -3.710 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.950 0.359 -2.463 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.264 -2.562 -3.275 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.413 -1.691 -2.279 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.456 0.066 -4.228 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.694 -1.187 -5.189 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.786 -1.989 -5.595 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -12.800 -2.554 -3.936 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.531 0.279 -4.135 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -14.747 -3.040 -4.427 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.420 -2.585 -4.088 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -15.694 0.869 -3.697 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -16.958 -0.366 -3.673 1.00 0.00 H new ATOM 533 N GLN A 37 -9.865 -1.038 -0.226 1.00 0.00 N ATOM 534 CA GLN A 37 -9.497 -1.480 1.108 1.00 0.00 C ATOM 535 C GLN A 37 -10.051 -2.881 1.374 1.00 0.00 C ATOM 536 O GLN A 37 -9.476 -3.643 2.150 1.00 0.00 O ATOM 537 CB GLN A 37 -9.982 -0.488 2.168 1.00 0.00 C ATOM 538 CG GLN A 37 -9.118 0.774 2.174 1.00 0.00 C ATOM 539 CD GLN A 37 -9.654 1.801 3.172 1.00 0.00 C ATOM 540 OE1 GLN A 37 -9.193 1.913 4.296 1.00 0.00 O ATOM 541 NE2 GLN A 37 -10.652 2.544 2.701 1.00 0.00 N ATOM 0 H GLN A 37 -10.802 -0.642 -0.301 1.00 0.00 H new ATOM 0 HA GLN A 37 -8.410 -1.523 1.169 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -11.021 -0.221 1.973 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -9.953 -0.958 3.151 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -8.091 0.514 2.430 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -9.097 1.209 1.175 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -10.991 2.399 1.750 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -11.078 3.259 3.291 1.00 0.00 H new ATOM 550 N THR A 38 -11.162 -3.178 0.716 1.00 0.00 N ATOM 551 CA THR A 38 -11.800 -4.475 0.872 1.00 0.00 C ATOM 552 C THR A 38 -12.358 -4.627 2.289 1.00 0.00 C ATOM 553 O THR A 38 -13.573 -4.659 2.481 1.00 0.00 O ATOM 554 CB THR A 38 -10.779 -5.552 0.502 1.00 0.00 C ATOM 555 OG1 THR A 38 -10.311 -5.159 -0.786 1.00 0.00 O ATOM 556 CG2 THR A 38 -11.428 -6.916 0.262 1.00 0.00 C ATOM 0 H THR A 38 -11.637 -2.543 0.074 1.00 0.00 H new ATOM 0 HA THR A 38 -12.657 -4.577 0.206 1.00 0.00 H new ATOM 0 HB THR A 38 -10.038 -5.637 1.297 1.00 0.00 H new ATOM 0 HG1 THR A 38 -9.643 -5.803 -1.102 1.00 0.00 H new ATOM 0 HG21 THR A 38 -10.659 -7.644 0.003 1.00 0.00 H new ATOM 0 HG22 THR A 38 -11.943 -7.238 1.167 1.00 0.00 H new ATOM 0 HG23 THR A 38 -12.145 -6.839 -0.555 1.00 0.00 H new ATOM 564 N THR A 39 -11.444 -4.719 3.244 1.00 0.00 N ATOM 565 CA THR A 39 -11.830 -4.868 4.637 1.00 0.00 C ATOM 566 C THR A 39 -11.088 -3.851 5.507 1.00 0.00 C ATOM 567 O THR A 39 -11.653 -2.827 5.890 1.00 0.00 O ATOM 568 CB THR A 39 -11.572 -6.319 5.046 1.00 0.00 C ATOM 569 OG1 THR A 39 -10.194 -6.525 4.747 1.00 0.00 O ATOM 570 CG2 THR A 39 -12.302 -7.319 4.146 1.00 0.00 C ATOM 0 H THR A 39 -10.438 -4.693 3.081 1.00 0.00 H new ATOM 0 HA THR A 39 -12.890 -4.659 4.778 1.00 0.00 H new ATOM 0 HB THR A 39 -11.884 -6.465 6.080 1.00 0.00 H new ATOM 0 HG1 THR A 39 -9.735 -6.871 5.541 1.00 0.00 H new ATOM 0 HG21 THR A 39 -12.085 -8.334 4.479 1.00 0.00 H new ATOM 0 HG22 THR A 39 -13.376 -7.141 4.200 1.00 0.00 H new ATOM 0 HG23 THR A 39 -11.965 -7.195 3.117 1.00 0.00 H new ATOM 578 N ALA A 40 -9.834 -4.168 5.793 1.00 0.00 N ATOM 579 CA ALA A 40 -9.010 -3.294 6.611 1.00 0.00 C ATOM 580 C ALA A 40 -7.650 -3.955 6.844 1.00 0.00 C ATOM 581 O ALA A 40 -6.623 -3.279 6.866 1.00 0.00 O ATOM 582 CB ALA A 40 -9.739 -2.982 7.920 1.00 0.00 C ATOM 0 H ALA A 40 -9.368 -5.017 5.473 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.834 -2.346 6.103 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.121 -2.326 8.533 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.685 -2.488 7.701 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.931 -3.909 8.460 1.00 0.00 H new ATOM 588 N ASP A 41 -7.687 -5.269 7.013 1.00 0.00 N ATOM 589 CA ASP A 41 -6.470 -6.029 7.244 1.00 0.00 C ATOM 590 C ASP A 41 -5.912 -6.509 5.903 1.00 0.00 C ATOM 591 O ASP A 41 -4.743 -6.879 5.810 1.00 0.00 O ATOM 592 CB ASP A 41 -6.746 -7.259 8.110 1.00 0.00 C ATOM 593 CG ASP A 41 -7.300 -6.959 9.504 1.00 0.00 C ATOM 594 OD1 ASP A 41 -6.481 -6.584 10.371 1.00 0.00 O ATOM 595 OD2 ASP A 41 -8.529 -7.110 9.671 1.00 0.00 O ATOM 0 H ASP A 41 -8.541 -5.827 6.995 1.00 0.00 H new ATOM 0 HA ASP A 41 -5.758 -5.381 7.755 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -7.453 -7.902 7.586 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -5.820 -7.824 8.218 1.00 0.00 H new ATOM 600 N TRP A 42 -6.775 -6.489 4.898 1.00 0.00 N ATOM 601 CA TRP A 42 -6.383 -6.918 3.566 1.00 0.00 C ATOM 602 C TRP A 42 -6.826 -5.842 2.573 1.00 0.00 C ATOM 603 O TRP A 42 -8.006 -5.503 2.505 1.00 0.00 O ATOM 604 CB TRP A 42 -6.955 -8.300 3.245 1.00 0.00 C ATOM 605 CG TRP A 42 -6.341 -9.434 4.068 1.00 0.00 C ATOM 606 CD1 TRP A 42 -6.764 -9.924 5.242 1.00 0.00 C ATOM 607 CD2 TRP A 42 -5.170 -10.206 3.730 1.00 0.00 C ATOM 608 NE1 TRP A 42 -5.954 -10.950 5.683 1.00 0.00 N ATOM 609 CE2 TRP A 42 -4.954 -11.127 4.735 1.00 0.00 C ATOM 610 CE3 TRP A 42 -4.321 -10.128 2.612 1.00 0.00 C ATOM 611 CZ2 TRP A 42 -3.893 -12.041 4.722 1.00 0.00 C ATOM 612 CZ3 TRP A 42 -3.265 -11.048 2.615 1.00 0.00 C ATOM 613 CH2 TRP A 42 -3.034 -11.982 3.618 1.00 0.00 C ATOM 0 H TRP A 42 -7.744 -6.182 4.979 1.00 0.00 H new ATOM 0 HA TRP A 42 -5.301 -7.028 3.499 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -8.032 -8.284 3.414 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -6.801 -8.509 2.186 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -7.630 -9.561 5.776 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -6.068 -11.481 6.546 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -4.471 -9.415 1.814 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -3.745 -12.753 5.521 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -2.582 -11.030 1.779 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -2.196 -12.659 3.546 1.00 0.00 H new ATOM 624 N TRP A 43 -5.855 -5.335 1.827 1.00 0.00 N ATOM 625 CA TRP A 43 -6.131 -4.304 0.840 1.00 0.00 C ATOM 626 C TRP A 43 -5.903 -4.906 -0.548 1.00 0.00 C ATOM 627 O TRP A 43 -5.271 -5.953 -0.679 1.00 0.00 O ATOM 628 CB TRP A 43 -5.282 -3.058 1.098 1.00 0.00 C ATOM 629 CG TRP A 43 -5.582 -2.365 2.429 1.00 0.00 C ATOM 630 CD1 TRP A 43 -6.511 -2.692 3.338 1.00 0.00 C ATOM 631 CD2 TRP A 43 -4.909 -1.208 2.967 1.00 0.00 C ATOM 632 NE1 TRP A 43 -6.486 -1.833 4.418 1.00 0.00 N ATOM 633 CE2 TRP A 43 -5.480 -0.902 4.186 1.00 0.00 C ATOM 634 CE3 TRP A 43 -3.852 -0.444 2.442 1.00 0.00 C ATOM 635 CZ2 TRP A 43 -5.062 0.172 4.981 1.00 0.00 C ATOM 636 CZ3 TRP A 43 -3.445 0.625 3.249 1.00 0.00 C ATOM 637 CH2 TRP A 43 -4.010 0.946 4.477 1.00 0.00 C ATOM 0 H TRP A 43 -4.877 -5.619 1.886 1.00 0.00 H new ATOM 0 HA TRP A 43 -7.166 -3.970 0.909 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.229 -3.337 1.075 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -5.441 -2.348 0.286 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.193 -3.523 3.238 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -7.094 -1.874 5.236 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.390 -0.664 1.491 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.526 0.391 5.931 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.635 1.244 2.892 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.639 1.789 5.041 1.00 0.00 H new ATOM 648 N TRP A 44 -6.429 -4.217 -1.550 1.00 0.00 N ATOM 649 CA TRP A 44 -6.291 -4.670 -2.924 1.00 0.00 C ATOM 650 C TRP A 44 -5.398 -3.671 -3.663 1.00 0.00 C ATOM 651 O TRP A 44 -5.769 -2.512 -3.837 1.00 0.00 O ATOM 652 CB TRP A 44 -7.660 -4.849 -3.582 1.00 0.00 C ATOM 653 CG TRP A 44 -7.595 -5.165 -5.078 1.00 0.00 C ATOM 654 CD1 TRP A 44 -7.831 -4.340 -6.106 1.00 0.00 C ATOM 655 CD2 TRP A 44 -7.260 -6.436 -5.674 1.00 0.00 C ATOM 656 NE1 TRP A 44 -7.673 -4.982 -7.317 1.00 0.00 N ATOM 657 CE2 TRP A 44 -7.315 -6.298 -7.046 1.00 0.00 C ATOM 658 CE3 TRP A 44 -6.921 -7.662 -5.075 1.00 0.00 C ATOM 659 CZ2 TRP A 44 -7.044 -7.346 -7.934 1.00 0.00 C ATOM 660 CZ3 TRP A 44 -6.653 -8.699 -5.975 1.00 0.00 C ATOM 661 CH2 TRP A 44 -6.705 -8.577 -7.359 1.00 0.00 C ATOM 0 H TRP A 44 -6.952 -3.348 -1.438 1.00 0.00 H new ATOM 0 HA TRP A 44 -5.820 -5.652 -2.961 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -8.193 -5.653 -3.074 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -8.243 -3.939 -3.438 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -8.110 -3.302 -6.000 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -7.796 -4.568 -8.241 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -6.871 -7.793 -4.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -7.094 -7.212 -9.005 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -6.387 -9.662 -5.566 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -6.485 -9.427 -7.987 1.00 0.00 H new ATOM 672 N GLY A 45 -4.238 -4.159 -4.079 1.00 0.00 N ATOM 673 CA GLY A 45 -3.290 -3.323 -4.796 1.00 0.00 C ATOM 674 C GLY A 45 -3.133 -3.791 -6.245 1.00 0.00 C ATOM 675 O GLY A 45 -3.779 -4.750 -6.665 1.00 0.00 O ATOM 0 H GLY A 45 -3.934 -5.122 -3.933 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.628 -2.287 -4.779 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -2.323 -3.351 -4.294 1.00 0.00 H new ATOM 679 N GLU A 46 -2.272 -3.091 -6.969 1.00 0.00 N ATOM 680 CA GLU A 46 -2.023 -3.422 -8.361 1.00 0.00 C ATOM 681 C GLU A 46 -0.535 -3.271 -8.684 1.00 0.00 C ATOM 682 O GLU A 46 0.030 -2.189 -8.537 1.00 0.00 O ATOM 683 CB GLU A 46 -2.876 -2.557 -9.292 1.00 0.00 C ATOM 684 CG GLU A 46 -2.587 -2.881 -10.759 1.00 0.00 C ATOM 685 CD GLU A 46 -3.341 -1.929 -11.690 1.00 0.00 C ATOM 686 OE1 GLU A 46 -2.971 -0.735 -11.700 1.00 0.00 O ATOM 687 OE2 GLU A 46 -4.270 -2.417 -12.369 1.00 0.00 O ATOM 0 H GLU A 46 -1.738 -2.296 -6.617 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.307 -4.462 -8.523 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.933 -2.722 -9.081 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.674 -1.503 -9.102 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.516 -2.807 -10.947 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.878 -3.910 -10.972 1.00 0.00 H new ATOM 694 N ARG A 47 0.058 -4.374 -9.119 1.00 0.00 N ATOM 695 CA ARG A 47 1.470 -4.378 -9.464 1.00 0.00 C ATOM 696 C ARG A 47 1.653 -4.076 -10.952 1.00 0.00 C ATOM 697 O ARG A 47 0.688 -3.771 -11.651 1.00 0.00 O ATOM 698 CB ARG A 47 2.111 -5.729 -9.142 1.00 0.00 C ATOM 699 CG ARG A 47 2.636 -5.759 -7.705 1.00 0.00 C ATOM 700 CD ARG A 47 4.156 -5.586 -7.673 1.00 0.00 C ATOM 701 NE ARG A 47 4.790 -6.790 -7.092 1.00 0.00 N ATOM 702 CZ ARG A 47 5.109 -7.885 -7.795 1.00 0.00 C ATOM 703 NH1 ARG A 47 4.854 -7.935 -9.110 1.00 0.00 N ATOM 704 NH2 ARG A 47 5.682 -8.931 -7.184 1.00 0.00 N ATOM 0 H ARG A 47 -0.413 -5.270 -9.240 1.00 0.00 H new ATOM 0 HA ARG A 47 1.959 -3.606 -8.870 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.380 -6.525 -9.282 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.929 -5.922 -9.836 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.164 -4.966 -7.125 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.364 -6.704 -7.234 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.532 -5.418 -8.682 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.418 -4.707 -7.084 1.00 0.00 H new ATOM 0 HE ARG A 47 4.997 -6.786 -6.093 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.417 -7.139 -9.575 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.097 -8.769 -9.645 1.00 0.00 H new ATOM 0 HH21 ARG A 47 5.875 -8.894 -6.183 1.00 0.00 H new ATOM 0 HH22 ARG A 47 5.925 -9.764 -7.720 1.00 0.00 H new ATOM 718 N ALA A 48 2.899 -4.170 -11.394 1.00 0.00 N ATOM 719 CA ALA A 48 3.222 -3.910 -12.786 1.00 0.00 C ATOM 720 C ALA A 48 2.491 -4.922 -13.672 1.00 0.00 C ATOM 721 O ALA A 48 2.904 -6.077 -13.772 1.00 0.00 O ATOM 722 CB ALA A 48 4.739 -3.958 -12.977 1.00 0.00 C ATOM 0 H ALA A 48 3.697 -4.423 -10.811 1.00 0.00 H new ATOM 0 HA ALA A 48 2.889 -2.914 -13.077 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.981 -3.763 -14.022 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.209 -3.202 -12.348 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.110 -4.944 -12.697 1.00 0.00 H new ATOM 728 N GLY A 49 1.419 -4.452 -14.291 1.00 0.00 N ATOM 729 CA GLY A 49 0.627 -5.302 -15.165 1.00 0.00 C ATOM 730 C GLY A 49 0.018 -6.471 -14.388 1.00 0.00 C ATOM 731 O GLY A 49 -0.559 -7.381 -14.981 1.00 0.00 O ATOM 0 H GLY A 49 1.080 -3.494 -14.205 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.167 -4.715 -15.627 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.253 -5.684 -15.972 1.00 0.00 H new ATOM 735 N CYS A 50 0.169 -6.409 -13.073 1.00 0.00 N ATOM 736 CA CYS A 50 -0.359 -7.451 -12.210 1.00 0.00 C ATOM 737 C CYS A 50 -1.453 -6.840 -11.332 1.00 0.00 C ATOM 738 O CYS A 50 -1.524 -5.621 -11.181 1.00 0.00 O ATOM 739 CB CYS A 50 0.743 -8.105 -11.374 1.00 0.00 C ATOM 740 SG CYS A 50 1.339 -9.624 -12.204 1.00 0.00 S ATOM 0 H CYS A 50 0.649 -5.653 -12.585 1.00 0.00 H new ATOM 0 HA CYS A 50 -0.786 -8.248 -12.818 1.00 0.00 H new ATOM 0 HB2 CYS A 50 1.569 -7.407 -11.237 1.00 0.00 H new ATOM 0 HB3 CYS A 50 0.363 -8.348 -10.382 1.00 0.00 H new ATOM 0 HG CYS A 50 2.276 -10.171 -11.488 1.00 0.00 H new ATOM 746 N CYS A 51 -2.279 -7.714 -10.776 1.00 0.00 N ATOM 747 CA CYS A 51 -3.366 -7.276 -9.918 1.00 0.00 C ATOM 748 C CYS A 51 -3.612 -8.357 -8.864 1.00 0.00 C ATOM 749 O CYS A 51 -4.075 -9.450 -9.186 1.00 0.00 O ATOM 750 CB CYS A 51 -4.631 -6.964 -10.721 1.00 0.00 C ATOM 751 SG CYS A 51 -5.062 -8.387 -11.787 1.00 0.00 S ATOM 0 H CYS A 51 -2.217 -8.724 -10.903 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.089 -6.344 -9.424 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -5.456 -6.743 -10.044 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.474 -6.075 -11.332 1.00 0.00 H new ATOM 0 HG CYS A 51 -4.869 -9.494 -11.133 1.00 0.00 H new ATOM 757 N GLY A 52 -3.290 -8.014 -7.625 1.00 0.00 N ATOM 758 CA GLY A 52 -3.470 -8.942 -6.521 1.00 0.00 C ATOM 759 C GLY A 52 -3.791 -8.196 -5.224 1.00 0.00 C ATOM 760 O GLY A 52 -3.922 -6.973 -5.224 1.00 0.00 O ATOM 0 H GLY A 52 -2.906 -7.107 -7.361 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.276 -9.638 -6.754 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.565 -9.535 -6.389 1.00 0.00 H new ATOM 764 N TYR A 53 -3.909 -8.964 -4.151 1.00 0.00 N ATOM 765 CA TYR A 53 -4.212 -8.391 -2.851 1.00 0.00 C ATOM 766 C TYR A 53 -2.929 -8.051 -2.089 1.00 0.00 C ATOM 767 O TYR A 53 -1.854 -8.544 -2.426 1.00 0.00 O ATOM 768 CB TYR A 53 -4.976 -9.471 -2.082 1.00 0.00 C ATOM 769 CG TYR A 53 -6.493 -9.408 -2.264 1.00 0.00 C ATOM 770 CD1 TYR A 53 -7.255 -8.604 -1.440 1.00 0.00 C ATOM 771 CD2 TYR A 53 -7.101 -10.156 -3.252 1.00 0.00 C ATOM 772 CE1 TYR A 53 -8.683 -8.545 -1.612 1.00 0.00 C ATOM 773 CE2 TYR A 53 -8.530 -10.097 -3.423 1.00 0.00 C ATOM 774 CZ TYR A 53 -9.250 -9.295 -2.595 1.00 0.00 C ATOM 775 OH TYR A 53 -10.600 -9.239 -2.756 1.00 0.00 O ATOM 0 H TYR A 53 -3.800 -9.978 -4.155 1.00 0.00 H new ATOM 0 HA TYR A 53 -4.786 -7.471 -2.962 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -4.622 -10.451 -2.403 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -4.743 -9.380 -1.021 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.780 -8.019 -0.666 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -6.505 -10.785 -3.897 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -9.290 -7.919 -0.975 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -9.018 -10.677 -4.192 1.00 0.00 H new ATOM 0 HH TYR A 53 -10.866 -9.825 -3.496 1.00 0.00 H new ATOM 785 N ILE A 54 -3.085 -7.210 -1.077 1.00 0.00 N ATOM 786 CA ILE A 54 -1.953 -6.798 -0.265 1.00 0.00 C ATOM 787 C ILE A 54 -2.413 -6.599 1.180 1.00 0.00 C ATOM 788 O ILE A 54 -3.563 -6.238 1.425 1.00 0.00 O ATOM 789 CB ILE A 54 -1.279 -5.566 -0.871 1.00 0.00 C ATOM 790 CG1 ILE A 54 -2.318 -4.597 -1.441 1.00 0.00 C ATOM 791 CG2 ILE A 54 -0.237 -5.969 -1.917 1.00 0.00 C ATOM 792 CD1 ILE A 54 -1.690 -3.235 -1.743 1.00 0.00 C ATOM 0 H ILE A 54 -3.979 -6.803 -0.801 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.190 -7.576 -0.253 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.750 -5.041 -0.076 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.748 -5.013 -2.352 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.135 -4.475 -0.730 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.227 -5.074 -2.332 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.527 -6.590 -1.449 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.722 -6.530 -2.716 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.450 -2.566 -2.147 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.283 -2.810 -0.825 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.889 -3.357 -2.472 1.00 0.00 H new ATOM 804 N PRO A 55 -1.466 -6.850 2.124 1.00 0.00 N ATOM 805 CA PRO A 55 -1.763 -6.702 3.539 1.00 0.00 C ATOM 806 C PRO A 55 -1.818 -5.225 3.936 1.00 0.00 C ATOM 807 O PRO A 55 -1.215 -4.379 3.278 1.00 0.00 O ATOM 808 CB PRO A 55 -0.663 -7.469 4.254 1.00 0.00 C ATOM 809 CG PRO A 55 0.461 -7.625 3.243 1.00 0.00 C ATOM 810 CD PRO A 55 -0.094 -7.279 1.871 1.00 0.00 C ATOM 0 HA PRO A 55 -2.743 -7.096 3.807 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -0.322 -6.930 5.137 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -1.021 -8.441 4.593 1.00 0.00 H new ATOM 0 HG2 PRO A 55 1.294 -6.969 3.494 1.00 0.00 H new ATOM 0 HG3 PRO A 55 0.845 -8.645 3.253 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.487 -6.488 1.397 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.065 -8.140 1.203 1.00 0.00 H new ATOM 818 N ALA A 56 -2.546 -4.961 5.011 1.00 0.00 N ATOM 819 CA ALA A 56 -2.687 -3.602 5.504 1.00 0.00 C ATOM 820 C ALA A 56 -1.746 -3.395 6.693 1.00 0.00 C ATOM 821 O ALA A 56 -2.171 -3.464 7.845 1.00 0.00 O ATOM 822 CB ALA A 56 -4.150 -3.339 5.866 1.00 0.00 C ATOM 0 H ALA A 56 -3.045 -5.666 5.554 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.408 -2.884 4.733 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.256 -2.319 6.236 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.773 -3.470 4.981 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.465 -4.040 6.639 1.00 0.00 H new ATOM 828 N ASN A 57 -0.485 -3.144 6.372 1.00 0.00 N ATOM 829 CA ASN A 57 0.520 -2.927 7.399 1.00 0.00 C ATOM 830 C ASN A 57 1.898 -2.822 6.744 1.00 0.00 C ATOM 831 O ASN A 57 2.666 -1.909 7.046 1.00 0.00 O ATOM 832 CB ASN A 57 0.555 -4.091 8.391 1.00 0.00 C ATOM 833 CG ASN A 57 1.758 -3.976 9.329 1.00 0.00 C ATOM 834 OD1 ASN A 57 2.888 -4.459 8.820 1.00 0.00 O flip ATOM 835 ND2 ASN A 57 1.666 -3.482 10.440 1.00 0.00 N flip ATOM 0 H ASN A 57 -0.136 -3.086 5.415 1.00 0.00 H new ATOM 0 HA ASN A 57 0.267 -2.009 7.930 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.366 -4.104 8.974 1.00 0.00 H new ATOM 0 HB3 ASN A 57 0.602 -5.035 7.848 1.00 0.00 H new ATOM 0 HD21 ASN A 57 0.767 -3.130 10.769 1.00 0.00 H new ATOM 0 HD22 ASN A 57 2.488 -3.421 11.041 1.00 0.00 H new ATOM 842 N HIS A 58 2.171 -3.769 5.858 1.00 0.00 N ATOM 843 CA HIS A 58 3.443 -3.795 5.158 1.00 0.00 C ATOM 844 C HIS A 58 3.635 -2.484 4.394 1.00 0.00 C ATOM 845 O HIS A 58 4.757 -2.127 4.037 1.00 0.00 O ATOM 846 CB HIS A 58 3.542 -5.027 4.256 1.00 0.00 C ATOM 847 CG HIS A 58 4.436 -6.116 4.799 1.00 0.00 C ATOM 848 ND1 HIS A 58 5.758 -5.897 5.146 1.00 0.00 N ATOM 849 CD2 HIS A 58 4.185 -7.432 5.051 1.00 0.00 C ATOM 850 CE1 HIS A 58 6.270 -7.037 5.585 1.00 0.00 C ATOM 851 NE2 HIS A 58 5.293 -7.988 5.525 1.00 0.00 N ATOM 0 H HIS A 58 1.532 -4.524 5.609 1.00 0.00 H new ATOM 0 HA HIS A 58 4.257 -3.878 5.878 1.00 0.00 H new ATOM 0 HB2 HIS A 58 2.542 -5.434 4.104 1.00 0.00 H new ATOM 0 HB3 HIS A 58 3.914 -4.720 3.278 1.00 0.00 H new ATOM 0 HD2 HIS A 58 3.244 -7.937 4.892 1.00 0.00 H new ATOM 0 HE1 HIS A 58 7.282 -7.187 5.930 1.00 0.00 H new ATOM 0 HE2 HIS A 58 5.397 -8.965 5.799 1.00 0.00 H new ATOM 859 N VAL A 59 2.523 -1.801 4.164 1.00 0.00 N ATOM 860 CA VAL A 59 2.555 -0.537 3.449 1.00 0.00 C ATOM 861 C VAL A 59 2.114 0.587 4.389 1.00 0.00 C ATOM 862 O VAL A 59 1.245 0.387 5.237 1.00 0.00 O ATOM 863 CB VAL A 59 1.698 -0.630 2.185 1.00 0.00 C ATOM 864 CG1 VAL A 59 2.388 -1.480 1.116 1.00 0.00 C ATOM 865 CG2 VAL A 59 0.305 -1.176 2.505 1.00 0.00 C ATOM 0 H VAL A 59 1.594 -2.100 4.461 1.00 0.00 H new ATOM 0 HA VAL A 59 3.569 -0.308 3.122 1.00 0.00 H new ATOM 0 HB VAL A 59 1.579 0.378 1.787 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.758 -1.530 0.228 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.346 -1.030 0.856 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.552 -2.486 1.501 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.283 -1.232 1.589 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.395 -2.172 2.939 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.191 -0.514 3.215 1.00 0.00 H new