USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 424 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 36 ASN : amide:sc= -0.367 K(o=-0.38,f=-11!) USER MOD Set 1.2: A 38 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 39 THR OG1 : rot 180:sc= -0.0159 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.392 USER MOD Single : A 20 THR OG1 : rot -35:sc= -2.59! USER MOD Single : A 23 CYS SG : rot -160:sc= -2.02 USER MOD Single : A 27 THR OG1 : rot -130:sc= -0.726 USER MOD Single : A 35 TYR OH : rot 180:sc= -0.436 USER MOD Single : A 42 SER OG : rot 29:sc= 1.05 USER MOD Single : A 43 MET CE :methyl -161:sc= -1.87! (180deg=-3.94!) USER MOD Single : A 58 LYS NZ :NH3+ 131:sc= -0.083 (180deg=-0.508) USER MOD Single : A 61 GLN : amide:sc= -0.0889 K(o=-0.089,f=-0.69) USER MOD Single : A 65 HIS : no HD1:sc= -1.65 K(o=-1.6,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 120 N PRO A 11 -5.945 -10.322 -6.021 1.00 0.00 N ATOM 121 CA PRO A 11 -7.045 -9.918 -5.140 1.00 0.00 C ATOM 122 C PRO A 11 -8.252 -10.842 -5.260 1.00 0.00 C ATOM 123 O PRO A 11 -8.573 -11.322 -6.347 1.00 0.00 O ATOM 124 CB PRO A 11 -7.397 -8.512 -5.634 1.00 0.00 C ATOM 125 CG PRO A 11 -6.957 -8.489 -7.057 1.00 0.00 C ATOM 126 CD PRO A 11 -5.743 -9.374 -7.129 1.00 0.00 C ATOM 0 HA PRO A 11 -6.761 -9.956 -4.088 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -8.466 -8.318 -5.547 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -6.886 -7.747 -5.049 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.745 -8.854 -7.715 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -6.720 -7.474 -7.376 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.676 -9.886 -8.089 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.822 -8.804 -7.007 1.00 0.00 H new ATOM 134 N VAL A 12 -8.918 -11.087 -4.136 1.00 0.00 N ATOM 135 CA VAL A 12 -10.091 -11.952 -4.116 1.00 0.00 C ATOM 136 C VAL A 12 -11.359 -11.167 -4.433 1.00 0.00 C ATOM 137 O VAL A 12 -12.273 -11.679 -5.079 1.00 0.00 O ATOM 138 CB VAL A 12 -10.256 -12.642 -2.748 1.00 0.00 C ATOM 139 CG1 VAL A 12 -9.098 -13.593 -2.486 1.00 0.00 C ATOM 140 CG2 VAL A 12 -10.368 -11.606 -1.640 1.00 0.00 C ATOM 0 H VAL A 12 -8.665 -10.698 -3.227 1.00 0.00 H new ATOM 0 HA VAL A 12 -9.937 -12.712 -4.882 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.177 -13.225 -2.763 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.232 -14.071 -1.516 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.070 -14.355 -3.265 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.161 -13.035 -2.490 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.484 -12.110 -0.681 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.466 -10.994 -1.622 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -11.234 -10.970 -1.823 1.00 0.00 H new ATOM 150 N ALA A 13 -11.407 -9.921 -3.975 1.00 0.00 N ATOM 151 CA ALA A 13 -12.561 -9.063 -4.212 1.00 0.00 C ATOM 152 C ALA A 13 -12.139 -7.607 -4.374 1.00 0.00 C ATOM 153 O ALA A 13 -11.055 -7.212 -3.945 1.00 0.00 O ATOM 154 CB ALA A 13 -13.563 -9.201 -3.075 1.00 0.00 C ATOM 0 H ALA A 13 -10.659 -9.483 -3.437 1.00 0.00 H new ATOM 0 HA ALA A 13 -13.035 -9.381 -5.140 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -14.420 -8.555 -3.265 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -13.897 -10.236 -3.008 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -13.091 -8.911 -2.137 1.00 0.00 H new ATOM 160 N THR A 14 -13.003 -6.811 -4.998 1.00 0.00 N ATOM 161 CA THR A 14 -12.719 -5.399 -5.218 1.00 0.00 C ATOM 162 C THR A 14 -14.007 -4.593 -5.348 1.00 0.00 C ATOM 163 O THR A 14 -14.946 -5.011 -6.024 1.00 0.00 O ATOM 164 CB THR A 14 -11.866 -5.188 -6.483 1.00 0.00 C ATOM 165 OG1 THR A 14 -10.734 -6.066 -6.462 1.00 0.00 O ATOM 166 CG2 THR A 14 -11.393 -3.746 -6.583 1.00 0.00 C ATOM 0 H THR A 14 -13.905 -7.121 -5.360 1.00 0.00 H new ATOM 0 HA THR A 14 -12.161 -5.050 -4.349 1.00 0.00 H new ATOM 0 HB THR A 14 -12.484 -5.412 -7.353 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.197 -5.927 -7.270 1.00 0.00 H new ATOM 0 HG21 THR A 14 -10.793 -3.622 -7.484 1.00 0.00 H new ATOM 0 HG22 THR A 14 -12.256 -3.082 -6.628 1.00 0.00 H new ATOM 0 HG23 THR A 14 -10.790 -3.499 -5.709 1.00 0.00 H new ATOM 174 N ALA A 15 -14.043 -3.435 -4.697 1.00 0.00 N ATOM 175 CA ALA A 15 -15.215 -2.569 -4.743 1.00 0.00 C ATOM 176 C ALA A 15 -14.811 -1.099 -4.757 1.00 0.00 C ATOM 177 O ALA A 15 -13.935 -0.663 -4.009 1.00 0.00 O ATOM 178 CB ALA A 15 -16.129 -2.856 -3.561 1.00 0.00 C ATOM 0 H ALA A 15 -13.274 -3.075 -4.132 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.756 -2.779 -5.666 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -17.000 -2.202 -3.608 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.453 -3.896 -3.596 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.589 -2.675 -2.631 1.00 0.00 H new ATOM 184 N PRO A 16 -15.461 -0.314 -5.628 1.00 0.00 N ATOM 185 CA PRO A 16 -15.186 1.120 -5.761 1.00 0.00 C ATOM 186 C PRO A 16 -15.653 1.914 -4.546 1.00 0.00 C ATOM 187 O PRO A 16 -16.799 1.787 -4.113 1.00 0.00 O ATOM 188 CB PRO A 16 -15.987 1.521 -7.003 1.00 0.00 C ATOM 189 CG PRO A 16 -17.087 0.520 -7.084 1.00 0.00 C ATOM 190 CD PRO A 16 -16.517 -0.766 -6.551 1.00 0.00 C ATOM 0 HA PRO A 16 -14.118 1.325 -5.841 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -16.379 2.534 -6.911 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -15.366 1.500 -7.898 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -17.948 0.838 -6.497 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -17.429 0.399 -8.112 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -17.274 -1.358 -6.037 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -16.113 -1.388 -7.350 1.00 0.00 H new ATOM 198 N ILE A 17 -14.760 2.734 -4.002 1.00 0.00 N ATOM 199 CA ILE A 17 -15.082 3.550 -2.839 1.00 0.00 C ATOM 200 C ILE A 17 -15.981 4.722 -3.220 1.00 0.00 C ATOM 201 O ILE A 17 -15.747 5.419 -4.207 1.00 0.00 O ATOM 202 CB ILE A 17 -13.809 4.093 -2.162 1.00 0.00 C ATOM 203 CG1 ILE A 17 -12.978 2.943 -1.592 1.00 0.00 C ATOM 204 CG2 ILE A 17 -14.174 5.084 -1.066 1.00 0.00 C ATOM 205 CD1 ILE A 17 -12.038 3.366 -0.486 1.00 0.00 C ATOM 0 H ILE A 17 -13.808 2.851 -4.349 1.00 0.00 H new ATOM 0 HA ILE A 17 -15.610 2.904 -2.137 1.00 0.00 H new ATOM 0 HB ILE A 17 -13.210 4.612 -2.910 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -13.650 2.174 -1.212 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -12.399 2.491 -2.397 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -13.264 5.459 -0.597 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -14.729 5.917 -1.498 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -14.790 4.587 -0.317 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -11.481 2.499 -0.130 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -11.342 4.113 -0.866 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -12.612 3.791 0.337 1.00 0.00 H new ATOM 217 N PRO A 18 -17.033 4.945 -2.420 1.00 0.00 N ATOM 218 CA PRO A 18 -17.987 6.034 -2.652 1.00 0.00 C ATOM 219 C PRO A 18 -17.375 7.406 -2.394 1.00 0.00 C ATOM 220 O PRO A 18 -16.787 7.646 -1.340 1.00 0.00 O ATOM 221 CB PRO A 18 -19.104 5.748 -1.644 1.00 0.00 C ATOM 222 CG PRO A 18 -18.443 4.971 -0.558 1.00 0.00 C ATOM 223 CD PRO A 18 -17.373 4.153 -1.226 1.00 0.00 C ATOM 0 HA PRO A 18 -18.326 6.065 -3.687 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -19.539 6.672 -1.262 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -19.914 5.180 -2.101 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -18.015 5.636 0.192 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -19.160 4.331 -0.044 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -16.509 4.014 -0.576 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -17.734 3.160 -1.492 1.00 0.00 H new ATOM 231 N GLY A 19 -17.518 8.305 -3.364 1.00 0.00 N ATOM 232 CA GLY A 19 -16.974 9.642 -3.221 1.00 0.00 C ATOM 233 C GLY A 19 -15.550 9.746 -3.730 1.00 0.00 C ATOM 234 O GLY A 19 -15.225 10.638 -4.514 1.00 0.00 O ATOM 0 H GLY A 19 -18.001 8.131 -4.245 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -17.603 10.347 -3.764 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -17.003 9.932 -2.171 1.00 0.00 H new ATOM 238 N THR A 20 -14.695 8.832 -3.281 1.00 0.00 N ATOM 239 CA THR A 20 -13.297 8.826 -3.693 1.00 0.00 C ATOM 240 C THR A 20 -13.066 7.849 -4.840 1.00 0.00 C ATOM 241 O THR A 20 -13.719 6.811 -4.944 1.00 0.00 O ATOM 242 CB THR A 20 -12.368 8.453 -2.522 1.00 0.00 C ATOM 243 OG1 THR A 20 -12.172 7.035 -2.484 1.00 0.00 O ATOM 244 CG2 THR A 20 -12.950 8.926 -1.198 1.00 0.00 C ATOM 0 H THR A 20 -14.947 8.086 -2.632 1.00 0.00 H new ATOM 0 HA THR A 20 -13.062 9.837 -4.027 1.00 0.00 H new ATOM 0 HB THR A 20 -11.409 8.947 -2.676 1.00 0.00 H new ATOM 0 HG1 THR A 20 -12.997 6.583 -2.761 1.00 0.00 H new ATOM 0 HG21 THR A 20 -12.277 8.651 -0.386 1.00 0.00 H new ATOM 0 HG22 THR A 20 -13.070 10.009 -1.220 1.00 0.00 H new ATOM 0 HG23 THR A 20 -13.921 8.457 -1.039 1.00 0.00 H new ATOM 252 N PRO A 21 -12.114 8.186 -5.723 1.00 0.00 N ATOM 253 CA PRO A 21 -11.774 7.351 -6.878 1.00 0.00 C ATOM 254 C PRO A 21 -11.077 6.056 -6.473 1.00 0.00 C ATOM 255 O PRO A 21 -10.768 5.216 -7.318 1.00 0.00 O ATOM 256 CB PRO A 21 -10.826 8.237 -7.690 1.00 0.00 C ATOM 257 CG PRO A 21 -10.228 9.167 -6.692 1.00 0.00 C ATOM 258 CD PRO A 21 -11.296 9.409 -5.661 1.00 0.00 C ATOM 0 HA PRO A 21 -12.661 7.036 -7.428 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -10.059 7.644 -8.188 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -11.362 8.782 -8.467 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.338 8.732 -6.237 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -9.921 10.101 -7.163 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -10.870 9.558 -4.669 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -11.884 10.298 -5.892 1.00 0.00 H new ATOM 266 N TRP A 22 -10.833 5.902 -5.177 1.00 0.00 N ATOM 267 CA TRP A 22 -10.173 4.709 -4.660 1.00 0.00 C ATOM 268 C TRP A 22 -11.101 3.501 -4.727 1.00 0.00 C ATOM 269 O TRP A 22 -12.324 3.646 -4.739 1.00 0.00 O ATOM 270 CB TRP A 22 -9.716 4.938 -3.218 1.00 0.00 C ATOM 271 CG TRP A 22 -8.540 5.861 -3.107 1.00 0.00 C ATOM 272 CD1 TRP A 22 -8.574 7.211 -2.903 1.00 0.00 C ATOM 273 CD2 TRP A 22 -7.157 5.501 -3.195 1.00 0.00 C ATOM 274 NE1 TRP A 22 -7.295 7.712 -2.859 1.00 0.00 N ATOM 275 CE2 TRP A 22 -6.408 6.683 -3.035 1.00 0.00 C ATOM 276 CE3 TRP A 22 -6.479 4.295 -3.391 1.00 0.00 C ATOM 277 CZ2 TRP A 22 -5.016 6.692 -3.067 1.00 0.00 C ATOM 278 CZ3 TRP A 22 -5.097 4.306 -3.423 1.00 0.00 C ATOM 279 CH2 TRP A 22 -4.378 5.497 -3.261 1.00 0.00 C ATOM 0 H TRP A 22 -11.082 6.588 -4.465 1.00 0.00 H new ATOM 0 HA TRP A 22 -9.301 4.508 -5.282 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -10.546 5.348 -2.642 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -9.459 3.978 -2.769 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -9.474 7.798 -2.793 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -7.047 8.691 -2.718 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -7.025 3.371 -3.515 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -4.460 7.609 -2.943 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -4.562 3.380 -3.576 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -3.299 5.472 -3.290 1.00 0.00 H new ATOM 290 N CYS A 23 -10.513 2.311 -4.769 1.00 0.00 N ATOM 291 CA CYS A 23 -11.288 1.077 -4.835 1.00 0.00 C ATOM 292 C CYS A 23 -10.761 0.050 -3.839 1.00 0.00 C ATOM 293 O CYS A 23 -9.624 -0.410 -3.947 1.00 0.00 O ATOM 294 CB CYS A 23 -11.248 0.500 -6.251 1.00 0.00 C ATOM 295 SG CYS A 23 -11.360 1.744 -7.558 1.00 0.00 S ATOM 0 H CYS A 23 -9.502 2.174 -4.759 1.00 0.00 H new ATOM 0 HA CYS A 23 -12.320 1.311 -4.575 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -10.322 -0.062 -6.377 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -12.069 -0.208 -6.367 1.00 0.00 H new ATOM 0 HG CYS A 23 -11.738 1.177 -8.665 1.00 0.00 H new ATOM 301 N VAL A 24 -11.595 -0.306 -2.866 1.00 0.00 N ATOM 302 CA VAL A 24 -11.213 -1.279 -1.850 1.00 0.00 C ATOM 303 C VAL A 24 -10.959 -2.649 -2.468 1.00 0.00 C ATOM 304 O VAL A 24 -11.876 -3.291 -2.979 1.00 0.00 O ATOM 305 CB VAL A 24 -12.298 -1.411 -0.764 1.00 0.00 C ATOM 306 CG1 VAL A 24 -11.835 -2.346 0.342 1.00 0.00 C ATOM 307 CG2 VAL A 24 -12.657 -0.044 -0.202 1.00 0.00 C ATOM 0 H VAL A 24 -12.539 0.065 -2.761 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.293 -0.914 -1.393 1.00 0.00 H new ATOM 0 HB VAL A 24 -13.192 -1.839 -1.218 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -12.614 -2.427 1.100 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -11.632 -3.332 -0.076 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -10.927 -1.950 0.796 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -13.425 -0.156 0.564 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -11.770 0.413 0.237 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -13.034 0.591 -1.004 1.00 0.00 H new ATOM 317 N VAL A 25 -9.707 -3.092 -2.417 1.00 0.00 N ATOM 318 CA VAL A 25 -9.331 -4.388 -2.970 1.00 0.00 C ATOM 319 C VAL A 25 -8.869 -5.341 -1.874 1.00 0.00 C ATOM 320 O VAL A 25 -7.953 -5.030 -1.113 1.00 0.00 O ATOM 321 CB VAL A 25 -8.211 -4.247 -4.018 1.00 0.00 C ATOM 322 CG1 VAL A 25 -7.856 -5.604 -4.605 1.00 0.00 C ATOM 323 CG2 VAL A 25 -8.625 -3.275 -5.112 1.00 0.00 C ATOM 0 H VAL A 25 -8.936 -2.572 -1.998 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.220 -4.796 -3.451 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.324 -3.848 -3.526 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.063 -5.485 -5.343 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.515 -6.266 -3.810 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.736 -6.035 -5.083 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.822 -3.187 -5.844 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.526 -3.643 -5.604 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.825 -2.297 -4.674 1.00 0.00 H new ATOM 333 N TRP A 26 -9.510 -6.502 -1.799 1.00 0.00 N ATOM 334 CA TRP A 26 -9.164 -7.502 -0.795 1.00 0.00 C ATOM 335 C TRP A 26 -8.215 -8.546 -1.371 1.00 0.00 C ATOM 336 O TRP A 26 -8.127 -8.717 -2.588 1.00 0.00 O ATOM 337 CB TRP A 26 -10.428 -8.181 -0.265 1.00 0.00 C ATOM 338 CG TRP A 26 -11.250 -7.296 0.623 1.00 0.00 C ATOM 339 CD1 TRP A 26 -11.168 -7.195 1.982 1.00 0.00 C ATOM 340 CD2 TRP A 26 -12.279 -6.389 0.213 1.00 0.00 C ATOM 341 NE1 TRP A 26 -12.084 -6.280 2.442 1.00 0.00 N ATOM 342 CE2 TRP A 26 -12.778 -5.771 1.376 1.00 0.00 C ATOM 343 CE3 TRP A 26 -12.827 -6.038 -1.024 1.00 0.00 C ATOM 344 CZ2 TRP A 26 -13.797 -4.824 1.337 1.00 0.00 C ATOM 345 CZ3 TRP A 26 -13.839 -5.098 -1.061 1.00 0.00 C ATOM 346 CH2 TRP A 26 -14.315 -4.499 0.113 1.00 0.00 C ATOM 0 H TRP A 26 -10.271 -6.774 -2.421 1.00 0.00 H new ATOM 0 HA TRP A 26 -8.660 -6.995 0.028 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -11.038 -8.505 -1.108 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -10.146 -9.077 0.288 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -10.484 -7.753 2.604 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -12.225 -6.022 3.419 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -12.466 -6.493 -1.934 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -14.166 -4.362 2.241 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -14.271 -4.820 -2.011 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -15.106 -3.767 0.050 1.00 0.00 H new ATOM 357 N THR A 27 -7.504 -9.244 -0.490 1.00 0.00 N ATOM 358 CA THR A 27 -6.560 -10.272 -0.912 1.00 0.00 C ATOM 359 C THR A 27 -6.866 -11.607 -0.244 1.00 0.00 C ATOM 360 O THR A 27 -7.773 -11.706 0.582 1.00 0.00 O ATOM 361 CB THR A 27 -5.109 -9.869 -0.589 1.00 0.00 C ATOM 362 OG1 THR A 27 -5.010 -9.449 0.777 1.00 0.00 O ATOM 363 CG2 THR A 27 -4.642 -8.748 -1.504 1.00 0.00 C ATOM 0 H THR A 27 -7.564 -9.116 0.520 1.00 0.00 H new ATOM 0 HA THR A 27 -6.668 -10.376 -1.992 1.00 0.00 H new ATOM 0 HB THR A 27 -4.470 -10.737 -0.749 1.00 0.00 H new ATOM 0 HG1 THR A 27 -4.547 -8.586 0.821 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.615 -8.481 -1.257 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.691 -9.080 -2.541 1.00 0.00 H new ATOM 0 HG23 THR A 27 -5.285 -7.878 -1.371 1.00 0.00 H new ATOM 371 N GLY A 28 -6.102 -12.634 -0.605 1.00 0.00 N ATOM 372 CA GLY A 28 -6.307 -13.950 -0.030 1.00 0.00 C ATOM 373 C GLY A 28 -5.749 -14.062 1.375 1.00 0.00 C ATOM 374 O GLY A 28 -6.163 -14.926 2.148 1.00 0.00 O ATOM 0 H GLY A 28 -5.345 -12.577 -1.286 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -7.374 -14.173 -0.013 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.835 -14.699 -0.666 1.00 0.00 H new ATOM 378 N ASP A 29 -4.806 -13.187 1.707 1.00 0.00 N ATOM 379 CA ASP A 29 -4.189 -13.192 3.028 1.00 0.00 C ATOM 380 C ASP A 29 -5.002 -12.355 4.010 1.00 0.00 C ATOM 381 O ASP A 29 -4.445 -11.611 4.817 1.00 0.00 O ATOM 382 CB ASP A 29 -2.758 -12.658 2.948 1.00 0.00 C ATOM 383 CG ASP A 29 -1.860 -13.247 4.018 1.00 0.00 C ATOM 384 OD1 ASP A 29 -1.935 -14.472 4.247 1.00 0.00 O ATOM 385 OD2 ASP A 29 -1.082 -12.482 4.628 1.00 0.00 O ATOM 0 H ASP A 29 -4.452 -12.465 1.079 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.165 -14.221 3.387 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.344 -12.883 1.965 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.772 -11.573 3.047 1.00 0.00 H new ATOM 390 N GLU A 30 -6.324 -12.481 3.935 1.00 0.00 N ATOM 391 CA GLU A 30 -7.213 -11.734 4.816 1.00 0.00 C ATOM 392 C GLU A 30 -6.763 -10.282 4.940 1.00 0.00 C ATOM 393 O GLU A 30 -6.834 -9.688 6.017 1.00 0.00 O ATOM 394 CB GLU A 30 -7.260 -12.385 6.200 1.00 0.00 C ATOM 395 CG GLU A 30 -8.147 -13.617 6.264 1.00 0.00 C ATOM 396 CD GLU A 30 -8.099 -14.301 7.617 1.00 0.00 C ATOM 397 OE1 GLU A 30 -7.013 -14.786 7.998 1.00 0.00 O ATOM 398 OE2 GLU A 30 -9.147 -14.351 8.294 1.00 0.00 O ATOM 0 H GLU A 30 -6.802 -13.093 3.274 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.212 -11.750 4.380 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.248 -12.661 6.497 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.617 -11.653 6.925 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.175 -13.332 6.042 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.838 -14.323 5.493 1.00 0.00 H new ATOM 405 N ARG A 31 -6.300 -9.715 3.831 1.00 0.00 N ATOM 406 CA ARG A 31 -5.836 -8.333 3.815 1.00 0.00 C ATOM 407 C ARG A 31 -6.611 -7.512 2.789 1.00 0.00 C ATOM 408 O ARG A 31 -7.465 -8.037 2.074 1.00 0.00 O ATOM 409 CB ARG A 31 -4.340 -8.278 3.502 1.00 0.00 C ATOM 410 CG ARG A 31 -3.457 -8.346 4.737 1.00 0.00 C ATOM 411 CD ARG A 31 -2.005 -8.042 4.401 1.00 0.00 C ATOM 412 NE ARG A 31 -1.097 -8.462 5.466 1.00 0.00 N ATOM 413 CZ ARG A 31 -0.901 -7.768 6.581 1.00 0.00 C ATOM 414 NH1 ARG A 31 -1.545 -6.625 6.776 1.00 0.00 N ATOM 415 NH2 ARG A 31 -0.059 -8.216 7.503 1.00 0.00 N ATOM 0 H ARG A 31 -6.236 -10.192 2.931 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.009 -7.907 4.803 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.086 -9.104 2.838 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.124 -7.356 2.962 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.816 -7.635 5.482 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.528 -9.338 5.183 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.734 -8.547 3.474 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.889 -6.972 4.227 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.586 -9.336 5.346 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.192 -6.277 6.069 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.393 -6.094 7.633 1.00 0.00 H new ATOM 0 HH21 ARG A 31 0.438 -9.094 7.356 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.091 -7.682 8.359 1.00 0.00 H new ATOM 429 N VAL A 32 -6.308 -6.219 2.722 1.00 0.00 N ATOM 430 CA VAL A 32 -6.976 -5.325 1.784 1.00 0.00 C ATOM 431 C VAL A 32 -6.147 -4.069 1.538 1.00 0.00 C ATOM 432 O VAL A 32 -5.587 -3.489 2.469 1.00 0.00 O ATOM 433 CB VAL A 32 -8.370 -4.915 2.294 1.00 0.00 C ATOM 434 CG1 VAL A 32 -8.270 -4.281 3.673 1.00 0.00 C ATOM 435 CG2 VAL A 32 -9.040 -3.968 1.310 1.00 0.00 C ATOM 0 H VAL A 32 -5.604 -5.768 3.306 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.087 -5.873 0.849 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.985 -5.811 2.377 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.265 -3.998 4.016 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.835 -4.996 4.371 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.638 -3.394 3.621 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -10.024 -3.689 1.686 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.429 -3.073 1.193 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.148 -4.463 0.345 1.00 0.00 H new ATOM 445 N PHE A 33 -6.074 -3.652 0.278 1.00 0.00 N ATOM 446 CA PHE A 33 -5.314 -2.464 -0.091 1.00 0.00 C ATOM 447 C PHE A 33 -6.169 -1.505 -0.915 1.00 0.00 C ATOM 448 O PHE A 33 -7.213 -1.885 -1.445 1.00 0.00 O ATOM 449 CB PHE A 33 -4.064 -2.857 -0.881 1.00 0.00 C ATOM 450 CG PHE A 33 -4.369 -3.513 -2.198 1.00 0.00 C ATOM 451 CD1 PHE A 33 -4.629 -2.748 -3.324 1.00 0.00 C ATOM 452 CD2 PHE A 33 -4.395 -4.894 -2.310 1.00 0.00 C ATOM 453 CE1 PHE A 33 -4.911 -3.349 -4.536 1.00 0.00 C ATOM 454 CE2 PHE A 33 -4.676 -5.500 -3.520 1.00 0.00 C ATOM 455 CZ PHE A 33 -4.933 -4.727 -4.634 1.00 0.00 C ATOM 0 H PHE A 33 -6.532 -4.119 -0.504 1.00 0.00 H new ATOM 0 HA PHE A 33 -5.012 -1.958 0.826 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.461 -1.966 -1.059 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.461 -3.535 -0.277 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -4.611 -1.670 -3.253 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -4.193 -5.504 -1.442 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -5.114 -2.742 -5.406 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.694 -6.577 -3.594 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.151 -5.198 -5.581 1.00 0.00 H new ATOM 465 N PHE A 34 -5.718 -0.259 -1.016 1.00 0.00 N ATOM 466 CA PHE A 34 -6.442 0.756 -1.773 1.00 0.00 C ATOM 467 C PHE A 34 -5.800 0.976 -3.140 1.00 0.00 C ATOM 468 O PHE A 34 -4.592 1.195 -3.242 1.00 0.00 O ATOM 469 CB PHE A 34 -6.477 2.074 -0.996 1.00 0.00 C ATOM 470 CG PHE A 34 -6.812 1.903 0.459 1.00 0.00 C ATOM 471 CD1 PHE A 34 -5.854 1.458 1.356 1.00 0.00 C ATOM 472 CD2 PHE A 34 -8.084 2.188 0.929 1.00 0.00 C ATOM 473 CE1 PHE A 34 -6.160 1.299 2.694 1.00 0.00 C ATOM 474 CE2 PHE A 34 -8.395 2.031 2.266 1.00 0.00 C ATOM 475 CZ PHE A 34 -7.431 1.587 3.150 1.00 0.00 C ATOM 0 H PHE A 34 -4.855 0.072 -0.584 1.00 0.00 H new ATOM 0 HA PHE A 34 -7.462 0.403 -1.923 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -5.507 2.563 -1.082 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -7.211 2.737 -1.454 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.858 1.233 1.005 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -8.841 2.537 0.242 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.405 0.950 3.383 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -9.391 2.255 2.619 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.671 1.465 4.196 1.00 0.00 H new ATOM 485 N TYR A 35 -6.615 0.916 -4.186 1.00 0.00 N ATOM 486 CA TYR A 35 -6.128 1.105 -5.547 1.00 0.00 C ATOM 487 C TYR A 35 -6.925 2.189 -6.266 1.00 0.00 C ATOM 488 O TYR A 35 -8.141 2.286 -6.112 1.00 0.00 O ATOM 489 CB TYR A 35 -6.211 -0.207 -6.328 1.00 0.00 C ATOM 490 CG TYR A 35 -6.151 -0.024 -7.828 1.00 0.00 C ATOM 491 CD1 TYR A 35 -4.953 0.279 -8.463 1.00 0.00 C ATOM 492 CD2 TYR A 35 -7.293 -0.153 -8.610 1.00 0.00 C ATOM 493 CE1 TYR A 35 -4.894 0.448 -9.833 1.00 0.00 C ATOM 494 CE2 TYR A 35 -7.242 0.013 -9.980 1.00 0.00 C ATOM 495 CZ TYR A 35 -6.041 0.313 -10.587 1.00 0.00 C ATOM 496 OH TYR A 35 -5.987 0.481 -11.952 1.00 0.00 O ATOM 0 H TYR A 35 -7.617 0.738 -4.118 1.00 0.00 H new ATOM 0 HA TYR A 35 -5.087 1.422 -5.492 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.394 -0.858 -6.017 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.140 -0.716 -6.069 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.053 0.384 -7.876 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -8.236 -0.387 -8.138 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -3.955 0.685 -10.311 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.139 -0.092 -10.573 1.00 0.00 H new ATOM 0 HH TYR A 35 -6.880 0.351 -12.333 1.00 0.00 H new ATOM 506 N ASN A 36 -6.228 3.003 -7.052 1.00 0.00 N ATOM 507 CA ASN A 36 -6.870 4.082 -7.796 1.00 0.00 C ATOM 508 C ASN A 36 -6.702 3.881 -9.299 1.00 0.00 C ATOM 509 O ASN A 36 -5.639 4.128 -9.869 1.00 0.00 O ATOM 510 CB ASN A 36 -6.284 5.433 -7.382 1.00 0.00 C ATOM 511 CG ASN A 36 -7.148 6.598 -7.825 1.00 0.00 C ATOM 512 OD1 ASN A 36 -7.816 6.532 -8.857 1.00 0.00 O ATOM 513 ND2 ASN A 36 -7.139 7.672 -7.044 1.00 0.00 N ATOM 0 H ASN A 36 -5.220 2.937 -7.191 1.00 0.00 H new ATOM 0 HA ASN A 36 -7.935 4.068 -7.562 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.170 5.460 -6.298 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.287 5.540 -7.810 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.701 8.487 -7.291 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.570 7.682 -6.198 1.00 0.00 H new ATOM 520 N PRO A 37 -7.777 3.422 -9.958 1.00 0.00 N ATOM 521 CA PRO A 37 -7.775 3.179 -11.403 1.00 0.00 C ATOM 522 C PRO A 37 -7.711 4.472 -12.209 1.00 0.00 C ATOM 523 O PRO A 37 -7.665 4.448 -13.439 1.00 0.00 O ATOM 524 CB PRO A 37 -9.107 2.464 -11.645 1.00 0.00 C ATOM 525 CG PRO A 37 -9.984 2.909 -10.526 1.00 0.00 C ATOM 526 CD PRO A 37 -9.077 3.106 -9.343 1.00 0.00 C ATOM 0 HA PRO A 37 -6.904 2.605 -11.718 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.531 2.734 -12.612 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.981 1.381 -11.643 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.501 3.834 -10.780 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.750 2.164 -10.311 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -9.425 3.915 -8.701 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -9.022 2.210 -8.725 1.00 0.00 H new ATOM 534 N THR A 38 -7.708 5.601 -11.507 1.00 0.00 N ATOM 535 CA THR A 38 -7.650 6.905 -12.157 1.00 0.00 C ATOM 536 C THR A 38 -6.220 7.432 -12.206 1.00 0.00 C ATOM 537 O THR A 38 -5.832 8.118 -13.153 1.00 0.00 O ATOM 538 CB THR A 38 -8.539 7.933 -11.433 1.00 0.00 C ATOM 539 OG1 THR A 38 -9.830 7.369 -11.174 1.00 0.00 O ATOM 540 CG2 THR A 38 -8.692 9.198 -12.265 1.00 0.00 C ATOM 0 H THR A 38 -7.745 5.639 -10.488 1.00 0.00 H new ATOM 0 HA THR A 38 -8.019 6.768 -13.174 1.00 0.00 H new ATOM 0 HB THR A 38 -8.060 8.193 -10.489 1.00 0.00 H new ATOM 0 HG1 THR A 38 -10.388 8.029 -10.712 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.324 9.909 -11.733 1.00 0.00 H new ATOM 0 HG22 THR A 38 -7.711 9.642 -12.436 1.00 0.00 H new ATOM 0 HG23 THR A 38 -9.151 8.951 -13.222 1.00 0.00 H new ATOM 548 N THR A 39 -5.439 7.106 -11.182 1.00 0.00 N ATOM 549 CA THR A 39 -4.052 7.547 -11.108 1.00 0.00 C ATOM 550 C THR A 39 -3.099 6.359 -11.060 1.00 0.00 C ATOM 551 O THR A 39 -1.945 6.492 -10.650 1.00 0.00 O ATOM 552 CB THR A 39 -3.809 8.435 -9.873 1.00 0.00 C ATOM 553 OG1 THR A 39 -4.083 7.697 -8.677 1.00 0.00 O ATOM 554 CG2 THR A 39 -4.685 9.678 -9.919 1.00 0.00 C ATOM 0 H THR A 39 -5.743 6.538 -10.392 1.00 0.00 H new ATOM 0 HA THR A 39 -3.858 8.129 -12.009 1.00 0.00 H new ATOM 0 HB THR A 39 -2.764 8.746 -9.877 1.00 0.00 H new ATOM 0 HG1 THR A 39 -3.925 8.268 -7.897 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.496 10.289 -9.037 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.454 10.253 -10.815 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.734 9.383 -9.938 1.00 0.00 H new ATOM 562 N ARG A 40 -3.587 5.197 -11.482 1.00 0.00 N ATOM 563 CA ARG A 40 -2.778 3.984 -11.487 1.00 0.00 C ATOM 564 C ARG A 40 -1.928 3.893 -10.223 1.00 0.00 C ATOM 565 O ARG A 40 -0.772 3.469 -10.268 1.00 0.00 O ATOM 566 CB ARG A 40 -1.878 3.950 -12.723 1.00 0.00 C ATOM 567 CG ARG A 40 -2.643 4.019 -14.035 1.00 0.00 C ATOM 568 CD ARG A 40 -1.733 3.755 -15.225 1.00 0.00 C ATOM 569 NE ARG A 40 -0.741 4.811 -15.400 1.00 0.00 N ATOM 570 CZ ARG A 40 -1.016 5.997 -15.932 1.00 0.00 C ATOM 571 NH1 ARG A 40 -2.247 6.276 -16.337 1.00 0.00 N ATOM 572 NH2 ARG A 40 -0.058 6.907 -16.058 1.00 0.00 N ATOM 0 H ARG A 40 -4.539 5.070 -11.825 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.452 3.128 -11.514 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.178 4.784 -12.676 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.285 3.036 -12.705 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.452 3.288 -14.025 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.103 5.002 -14.138 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.226 2.800 -15.088 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.335 3.670 -16.130 1.00 0.00 H new ATOM 0 HE ARG A 40 0.216 4.629 -15.097 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.986 5.579 -16.241 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.455 7.187 -16.745 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.890 6.696 -15.746 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -0.270 7.817 -16.467 1.00 0.00 H new ATOM 586 N LEU A 41 -2.506 4.295 -9.097 1.00 0.00 N ATOM 587 CA LEU A 41 -1.802 4.259 -7.820 1.00 0.00 C ATOM 588 C LEU A 41 -2.284 3.092 -6.964 1.00 0.00 C ATOM 589 O LEU A 41 -3.484 2.842 -6.857 1.00 0.00 O ATOM 590 CB LEU A 41 -2.003 5.576 -7.067 1.00 0.00 C ATOM 591 CG LEU A 41 -0.896 5.965 -6.087 1.00 0.00 C ATOM 592 CD1 LEU A 41 -0.948 5.087 -4.846 1.00 0.00 C ATOM 593 CD2 LEU A 41 0.467 5.865 -6.756 1.00 0.00 C ATOM 0 H LEU A 41 -3.461 4.650 -9.042 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.740 4.122 -8.023 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.111 6.377 -7.799 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.943 5.517 -6.518 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.054 6.999 -5.782 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.153 5.379 -4.160 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.913 5.208 -4.355 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.815 4.044 -5.133 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.243 6.145 -6.044 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.634 4.841 -7.090 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.502 6.537 -7.614 1.00 0.00 H new ATOM 605 N SER A 42 -1.339 2.382 -6.355 1.00 0.00 N ATOM 606 CA SER A 42 -1.668 1.240 -5.510 1.00 0.00 C ATOM 607 C SER A 42 -0.773 1.204 -4.274 1.00 0.00 C ATOM 608 O SER A 42 0.419 0.910 -4.366 1.00 0.00 O ATOM 609 CB SER A 42 -1.521 -0.063 -6.297 1.00 0.00 C ATOM 610 OG SER A 42 -0.170 -0.293 -6.657 1.00 0.00 O ATOM 0 H SER A 42 -0.341 2.577 -6.431 1.00 0.00 H new ATOM 0 HA SER A 42 -2.703 1.345 -5.186 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.888 -0.896 -5.698 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.137 -0.020 -7.195 1.00 0.00 H new ATOM 0 HG SER A 42 0.420 0.119 -5.992 1.00 0.00 H new ATOM 616 N MET A 43 -1.358 1.505 -3.119 1.00 0.00 N ATOM 617 CA MET A 43 -0.614 1.507 -1.864 1.00 0.00 C ATOM 618 C MET A 43 -1.033 0.334 -0.984 1.00 0.00 C ATOM 619 O MET A 43 -2.073 -0.284 -1.211 1.00 0.00 O ATOM 620 CB MET A 43 -0.834 2.824 -1.118 1.00 0.00 C ATOM 621 CG MET A 43 -0.844 4.043 -2.026 1.00 0.00 C ATOM 622 SD MET A 43 -0.247 5.530 -1.199 1.00 0.00 S ATOM 623 CE MET A 43 -0.974 5.329 0.425 1.00 0.00 C ATOM 0 H MET A 43 -2.344 1.750 -3.026 1.00 0.00 H new ATOM 0 HA MET A 43 0.446 1.404 -2.097 1.00 0.00 H new ATOM 0 HB2 MET A 43 -1.781 2.774 -0.581 1.00 0.00 H new ATOM 0 HB3 MET A 43 -0.050 2.944 -0.371 1.00 0.00 H new ATOM 0 HG2 MET A 43 -0.224 3.845 -2.901 1.00 0.00 H new ATOM 0 HG3 MET A 43 -1.858 4.215 -2.386 1.00 0.00 H new ATOM 0 HE1 MET A 43 -0.991 6.291 0.938 1.00 0.00 H new ATOM 0 HE2 MET A 43 -1.992 4.954 0.324 1.00 0.00 H new ATOM 0 HE3 MET A 43 -0.382 4.620 1.003 1.00 0.00 H new ATOM 633 N TRP A 44 -0.217 0.033 0.020 1.00 0.00 N ATOM 634 CA TRP A 44 -0.503 -1.067 0.935 1.00 0.00 C ATOM 635 C TRP A 44 -1.204 -0.561 2.191 1.00 0.00 C ATOM 636 O TRP A 44 -1.732 -1.348 2.977 1.00 0.00 O ATOM 637 CB TRP A 44 0.789 -1.792 1.313 1.00 0.00 C ATOM 638 CG TRP A 44 1.127 -2.923 0.389 1.00 0.00 C ATOM 639 CD1 TRP A 44 2.195 -2.997 -0.459 1.00 0.00 C ATOM 640 CD2 TRP A 44 0.393 -4.140 0.219 1.00 0.00 C ATOM 641 NE1 TRP A 44 2.169 -4.187 -1.146 1.00 0.00 N ATOM 642 CE2 TRP A 44 1.074 -4.906 -0.747 1.00 0.00 C ATOM 643 CE3 TRP A 44 -0.773 -4.658 0.790 1.00 0.00 C ATOM 644 CZ2 TRP A 44 0.625 -6.160 -1.154 1.00 0.00 C ATOM 645 CZ3 TRP A 44 -1.216 -5.903 0.386 1.00 0.00 C ATOM 646 CH2 TRP A 44 -0.518 -6.643 -0.578 1.00 0.00 C ATOM 0 H TRP A 44 0.648 0.535 0.221 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.168 -1.766 0.428 1.00 0.00 H new ATOM 0 HB2 TRP A 44 1.611 -1.076 1.316 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.698 -2.177 2.329 1.00 0.00 H new ATOM 0 HD1 TRP A 44 2.949 -2.233 -0.573 1.00 0.00 H new ATOM 0 HE1 TRP A 44 2.854 -4.486 -1.840 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.318 -4.095 1.534 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 1.160 -6.731 -1.898 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -2.116 -6.313 0.821 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.890 -7.613 -0.872 1.00 0.00 H new ATOM 657 N ASP A 45 -1.205 0.755 2.374 1.00 0.00 N ATOM 658 CA ASP A 45 -1.842 1.365 3.535 1.00 0.00 C ATOM 659 C ASP A 45 -2.936 2.337 3.107 1.00 0.00 C ATOM 660 O ASP A 45 -3.121 2.593 1.917 1.00 0.00 O ATOM 661 CB ASP A 45 -0.803 2.091 4.391 1.00 0.00 C ATOM 662 CG ASP A 45 -1.316 2.406 5.782 1.00 0.00 C ATOM 663 OD1 ASP A 45 -1.176 1.543 6.675 1.00 0.00 O ATOM 664 OD2 ASP A 45 -1.858 3.513 5.979 1.00 0.00 O ATOM 0 H ASP A 45 -0.772 1.420 1.733 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.298 0.571 4.127 1.00 0.00 H new ATOM 0 HB2 ASP A 45 0.093 1.476 4.468 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -0.512 3.017 3.896 1.00 0.00 H new ATOM 669 N ARG A 46 -3.658 2.876 4.084 1.00 0.00 N ATOM 670 CA ARG A 46 -4.735 3.819 3.807 1.00 0.00 C ATOM 671 C ARG A 46 -4.190 5.235 3.648 1.00 0.00 C ATOM 672 O ARG A 46 -3.733 5.862 4.603 1.00 0.00 O ATOM 673 CB ARG A 46 -5.773 3.784 4.930 1.00 0.00 C ATOM 674 CG ARG A 46 -7.082 4.467 4.571 1.00 0.00 C ATOM 675 CD ARG A 46 -7.066 5.939 4.954 1.00 0.00 C ATOM 676 NE ARG A 46 -7.374 6.140 6.367 1.00 0.00 N ATOM 677 CZ ARG A 46 -8.611 6.220 6.845 1.00 0.00 C ATOM 678 NH1 ARG A 46 -9.650 6.116 6.027 1.00 0.00 N ATOM 679 NH2 ARG A 46 -8.811 6.404 8.144 1.00 0.00 N ATOM 0 H ARG A 46 -3.517 2.676 5.074 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.211 3.524 2.872 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -5.975 2.746 5.194 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.354 4.262 5.815 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.262 4.370 3.500 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.906 3.967 5.079 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.085 6.360 4.733 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.790 6.480 4.345 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.597 6.224 7.023 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.500 5.974 5.028 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -10.599 6.178 6.397 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.015 6.484 8.776 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -9.761 6.465 8.510 1.00 0.00 H new ATOM 693 N PRO A 47 -4.238 5.752 2.411 1.00 0.00 N ATOM 694 CA PRO A 47 -3.754 7.100 2.097 1.00 0.00 C ATOM 695 C PRO A 47 -4.641 8.188 2.692 1.00 0.00 C ATOM 696 O PRO A 47 -5.799 7.942 3.032 1.00 0.00 O ATOM 697 CB PRO A 47 -3.803 7.147 0.567 1.00 0.00 C ATOM 698 CG PRO A 47 -4.846 6.151 0.191 1.00 0.00 C ATOM 699 CD PRO A 47 -4.770 5.061 1.224 1.00 0.00 C ATOM 0 HA PRO A 47 -2.763 7.284 2.511 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -4.060 8.144 0.210 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.837 6.892 0.132 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.835 6.608 0.178 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.665 5.755 -0.808 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.749 4.623 1.419 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.116 4.250 0.905 1.00 0.00 H new ATOM 707 N ASP A 48 -4.091 9.391 2.815 1.00 0.00 N ATOM 708 CA ASP A 48 -4.834 10.518 3.368 1.00 0.00 C ATOM 709 C ASP A 48 -6.101 10.783 2.560 1.00 0.00 C ATOM 710 O ASP A 48 -7.172 11.007 3.124 1.00 0.00 O ATOM 711 CB ASP A 48 -3.957 11.771 3.392 1.00 0.00 C ATOM 712 CG ASP A 48 -3.179 11.909 4.685 1.00 0.00 C ATOM 713 OD1 ASP A 48 -2.081 11.323 4.782 1.00 0.00 O ATOM 714 OD2 ASP A 48 -3.669 12.602 5.602 1.00 0.00 O ATOM 0 H ASP A 48 -3.134 9.611 2.539 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.122 10.266 4.389 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.261 11.739 2.554 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.584 12.652 3.253 1.00 0.00 H new ATOM 719 N ASP A 49 -5.970 10.756 1.239 1.00 0.00 N ATOM 720 CA ASP A 49 -7.104 10.994 0.353 1.00 0.00 C ATOM 721 C ASP A 49 -8.367 10.336 0.900 1.00 0.00 C ATOM 722 O ASP A 49 -9.482 10.776 0.616 1.00 0.00 O ATOM 723 CB ASP A 49 -6.803 10.463 -1.049 1.00 0.00 C ATOM 724 CG ASP A 49 -5.602 11.140 -1.680 1.00 0.00 C ATOM 725 OD1 ASP A 49 -4.555 11.238 -1.007 1.00 0.00 O ATOM 726 OD2 ASP A 49 -5.710 11.574 -2.846 1.00 0.00 O ATOM 0 H ASP A 49 -5.090 10.572 0.757 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.271 12.070 0.297 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.625 9.389 -0.997 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -7.676 10.611 -1.685 1.00 0.00 H new ATOM 731 N LEU A 50 -8.185 9.279 1.684 1.00 0.00 N ATOM 732 CA LEU A 50 -9.311 8.559 2.270 1.00 0.00 C ATOM 733 C LEU A 50 -9.435 8.862 3.760 1.00 0.00 C ATOM 734 O LEU A 50 -10.530 8.823 4.322 1.00 0.00 O ATOM 735 CB LEU A 50 -9.145 7.053 2.056 1.00 0.00 C ATOM 736 CG LEU A 50 -9.274 6.562 0.614 1.00 0.00 C ATOM 737 CD1 LEU A 50 -9.020 5.065 0.536 1.00 0.00 C ATOM 738 CD2 LEU A 50 -10.648 6.902 0.055 1.00 0.00 C ATOM 0 H LEU A 50 -7.270 8.902 1.929 1.00 0.00 H new ATOM 0 HA LEU A 50 -10.222 8.892 1.773 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.165 6.759 2.433 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.888 6.536 2.663 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.523 7.069 0.009 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -9.116 4.733 -0.498 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.014 4.847 0.895 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -9.748 4.540 1.155 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -10.721 6.545 -0.972 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -11.416 6.423 0.662 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -10.792 7.982 0.075 1.00 0.00 H new ATOM 750 N ILE A 51 -8.307 9.166 4.392 1.00 0.00 N ATOM 751 CA ILE A 51 -8.290 9.479 5.816 1.00 0.00 C ATOM 752 C ILE A 51 -9.348 10.522 6.162 1.00 0.00 C ATOM 753 O ILE A 51 -9.279 11.665 5.712 1.00 0.00 O ATOM 754 CB ILE A 51 -6.910 9.997 6.262 1.00 0.00 C ATOM 755 CG1 ILE A 51 -5.874 8.874 6.196 1.00 0.00 C ATOM 756 CG2 ILE A 51 -6.989 10.570 7.669 1.00 0.00 C ATOM 757 CD1 ILE A 51 -4.492 9.300 6.640 1.00 0.00 C ATOM 0 H ILE A 51 -7.393 9.202 3.941 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.510 8.552 6.346 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.600 10.792 5.584 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -6.208 8.045 6.820 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.819 8.501 5.173 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.006 10.932 7.970 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.701 11.395 7.686 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.317 9.794 8.360 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.809 8.453 6.567 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.137 10.108 6.000 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.532 9.646 7.673 1.00 0.00 H new ATOM 769 N GLY A 52 -10.328 10.119 6.966 1.00 0.00 N ATOM 770 CA GLY A 52 -11.386 11.030 7.360 1.00 0.00 C ATOM 771 C GLY A 52 -12.761 10.526 6.969 1.00 0.00 C ATOM 772 O GLY A 52 -13.746 10.795 7.656 1.00 0.00 O ATOM 0 H GLY A 52 -10.407 9.178 7.351 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.350 11.178 8.439 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.214 12.003 6.899 1.00 0.00 H new ATOM 776 N ARG A 53 -12.828 9.794 5.862 1.00 0.00 N ATOM 777 CA ARG A 53 -14.093 9.254 5.379 1.00 0.00 C ATOM 778 C ARG A 53 -14.445 7.960 6.107 1.00 0.00 C ATOM 779 O ARG A 53 -13.569 7.154 6.420 1.00 0.00 O ATOM 780 CB ARG A 53 -14.022 9.001 3.872 1.00 0.00 C ATOM 781 CG ARG A 53 -13.710 10.246 3.059 1.00 0.00 C ATOM 782 CD ARG A 53 -14.080 10.064 1.595 1.00 0.00 C ATOM 783 NE ARG A 53 -14.440 11.329 0.960 1.00 0.00 N ATOM 784 CZ ARG A 53 -15.642 11.884 1.058 1.00 0.00 C ATOM 785 NH1 ARG A 53 -16.596 11.290 1.762 1.00 0.00 N ATOM 786 NH2 ARG A 53 -15.893 13.037 0.451 1.00 0.00 N ATOM 0 H ARG A 53 -12.021 9.561 5.283 1.00 0.00 H new ATOM 0 HA ARG A 53 -14.873 9.988 5.581 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -13.259 8.248 3.674 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -14.973 8.587 3.537 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -14.255 11.096 3.470 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -12.648 10.478 3.141 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -13.241 9.617 1.062 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -14.915 9.368 1.516 1.00 0.00 H new ATOM 0 HE ARG A 53 -13.729 11.812 0.411 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -16.407 10.404 2.230 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -17.518 11.719 1.835 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -15.162 13.498 -0.091 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -16.817 13.463 0.527 1.00 0.00 H new ATOM 800 N ALA A 54 -15.733 7.769 6.374 1.00 0.00 N ATOM 801 CA ALA A 54 -16.201 6.573 7.064 1.00 0.00 C ATOM 802 C ALA A 54 -16.473 5.442 6.078 1.00 0.00 C ATOM 803 O ALA A 54 -16.210 4.275 6.370 1.00 0.00 O ATOM 804 CB ALA A 54 -17.453 6.885 7.871 1.00 0.00 C ATOM 0 H ALA A 54 -16.471 8.427 6.123 1.00 0.00 H new ATOM 0 HA ALA A 54 -15.416 6.245 7.745 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -17.791 5.983 8.381 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -17.228 7.656 8.608 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -18.238 7.240 7.203 1.00 0.00 H new ATOM 810 N ASP A 55 -17.000 5.794 4.911 1.00 0.00 N ATOM 811 CA ASP A 55 -17.308 4.808 3.882 1.00 0.00 C ATOM 812 C ASP A 55 -16.123 3.875 3.652 1.00 0.00 C ATOM 813 O ASP A 55 -16.253 2.655 3.746 1.00 0.00 O ATOM 814 CB ASP A 55 -17.685 5.506 2.574 1.00 0.00 C ATOM 815 CG ASP A 55 -18.491 6.769 2.802 1.00 0.00 C ATOM 816 OD1 ASP A 55 -19.421 6.736 3.636 1.00 0.00 O ATOM 817 OD2 ASP A 55 -18.193 7.790 2.148 1.00 0.00 O ATOM 0 H ASP A 55 -17.223 6.755 4.654 1.00 0.00 H new ATOM 0 HA ASP A 55 -18.155 4.213 4.225 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -16.778 5.752 2.023 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -18.259 4.820 1.952 1.00 0.00 H new ATOM 822 N VAL A 56 -14.967 4.458 3.348 1.00 0.00 N ATOM 823 CA VAL A 56 -13.759 3.680 3.105 1.00 0.00 C ATOM 824 C VAL A 56 -13.543 2.643 4.201 1.00 0.00 C ATOM 825 O VAL A 56 -13.159 1.505 3.928 1.00 0.00 O ATOM 826 CB VAL A 56 -12.516 4.585 3.018 1.00 0.00 C ATOM 827 CG1 VAL A 56 -12.432 5.496 4.233 1.00 0.00 C ATOM 828 CG2 VAL A 56 -11.254 3.746 2.883 1.00 0.00 C ATOM 0 H VAL A 56 -14.843 5.467 3.264 1.00 0.00 H new ATOM 0 HA VAL A 56 -13.897 3.172 2.150 1.00 0.00 H new ATOM 0 HB VAL A 56 -12.606 5.211 2.130 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.547 6.128 4.154 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -13.323 6.123 4.280 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -12.366 4.891 5.137 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -10.386 4.402 2.823 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.156 3.093 3.751 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -11.315 3.141 1.979 1.00 0.00 H new ATOM 838 N ASP A 57 -13.792 3.043 5.443 1.00 0.00 N ATOM 839 CA ASP A 57 -13.627 2.147 6.583 1.00 0.00 C ATOM 840 C ASP A 57 -14.721 1.084 6.601 1.00 0.00 C ATOM 841 O ASP A 57 -14.437 -0.114 6.587 1.00 0.00 O ATOM 842 CB ASP A 57 -13.648 2.941 7.890 1.00 0.00 C ATOM 843 CG ASP A 57 -12.854 2.266 8.990 1.00 0.00 C ATOM 844 OD1 ASP A 57 -12.641 1.039 8.901 1.00 0.00 O ATOM 845 OD2 ASP A 57 -12.444 2.966 9.940 1.00 0.00 O ATOM 0 H ASP A 57 -14.109 3.981 5.687 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.663 1.648 6.486 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.243 3.937 7.713 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.680 3.070 8.217 1.00 0.00 H new ATOM 850 N LYS A 58 -15.972 1.530 6.634 1.00 0.00 N ATOM 851 CA LYS A 58 -17.109 0.618 6.655 1.00 0.00 C ATOM 852 C LYS A 58 -16.922 -0.509 5.643 1.00 0.00 C ATOM 853 O LYS A 58 -17.019 -1.687 5.987 1.00 0.00 O ATOM 854 CB LYS A 58 -18.404 1.377 6.355 1.00 0.00 C ATOM 855 CG LYS A 58 -19.637 0.491 6.334 1.00 0.00 C ATOM 856 CD LYS A 58 -20.783 1.149 5.584 1.00 0.00 C ATOM 857 CE LYS A 58 -22.084 0.383 5.770 1.00 0.00 C ATOM 858 NZ LYS A 58 -22.506 0.346 7.198 1.00 0.00 N ATOM 0 H LYS A 58 -16.224 2.518 6.647 1.00 0.00 H new ATOM 0 HA LYS A 58 -17.173 0.181 7.651 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -18.540 2.157 7.104 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -18.308 1.875 5.390 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -19.393 -0.462 5.865 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -19.947 0.273 7.356 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -20.909 2.173 5.936 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -20.541 1.204 4.523 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -22.868 0.847 5.172 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -21.962 -0.635 5.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -23.506 0.621 7.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -22.383 -0.617 7.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -21.924 1.008 7.749 1.00 0.00 H new ATOM 872 N ILE A 59 -16.652 -0.138 4.396 1.00 0.00 N ATOM 873 CA ILE A 59 -16.449 -1.118 3.336 1.00 0.00 C ATOM 874 C ILE A 59 -15.462 -2.198 3.767 1.00 0.00 C ATOM 875 O ILE A 59 -15.779 -3.387 3.746 1.00 0.00 O ATOM 876 CB ILE A 59 -15.934 -0.453 2.046 1.00 0.00 C ATOM 877 CG1 ILE A 59 -16.959 0.555 1.521 1.00 0.00 C ATOM 878 CG2 ILE A 59 -15.631 -1.507 0.991 1.00 0.00 C ATOM 879 CD1 ILE A 59 -16.494 1.304 0.292 1.00 0.00 C ATOM 0 H ILE A 59 -16.569 0.833 4.095 1.00 0.00 H new ATOM 0 HA ILE A 59 -17.419 -1.574 3.138 1.00 0.00 H new ATOM 0 HB ILE A 59 -15.011 0.081 2.274 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -17.886 0.031 1.288 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -17.188 1.272 2.309 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -15.268 -1.021 0.085 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -14.869 -2.190 1.367 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -16.539 -2.066 0.764 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -17.270 2.001 -0.025 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -15.584 1.856 0.525 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -16.293 0.595 -0.511 1.00 0.00 H new ATOM 891 N ILE A 60 -14.265 -1.775 4.159 1.00 0.00 N ATOM 892 CA ILE A 60 -13.233 -2.705 4.599 1.00 0.00 C ATOM 893 C ILE A 60 -13.721 -3.558 5.764 1.00 0.00 C ATOM 894 O ILE A 60 -13.505 -4.769 5.793 1.00 0.00 O ATOM 895 CB ILE A 60 -11.950 -1.964 5.021 1.00 0.00 C ATOM 896 CG1 ILE A 60 -11.312 -1.275 3.813 1.00 0.00 C ATOM 897 CG2 ILE A 60 -10.968 -2.931 5.666 1.00 0.00 C ATOM 898 CD1 ILE A 60 -10.438 -0.097 4.182 1.00 0.00 C ATOM 0 H ILE A 60 -13.986 -0.794 4.181 1.00 0.00 H new ATOM 0 HA ILE A 60 -13.008 -3.350 3.750 1.00 0.00 H new ATOM 0 HB ILE A 60 -12.213 -1.201 5.754 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -10.715 -2.002 3.264 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -12.100 -0.936 3.140 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -10.067 -2.393 5.959 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -11.425 -3.380 6.548 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -10.708 -3.714 4.954 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -10.019 0.343 3.277 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -11.036 0.650 4.705 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -9.629 -0.433 4.830 1.00 0.00 H new ATOM 910 N GLN A 61 -14.383 -2.917 6.723 1.00 0.00 N ATOM 911 CA GLN A 61 -14.903 -3.618 7.891 1.00 0.00 C ATOM 912 C GLN A 61 -15.743 -4.821 7.475 1.00 0.00 C ATOM 913 O GLN A 61 -15.496 -5.943 7.915 1.00 0.00 O ATOM 914 CB GLN A 61 -15.741 -2.669 8.750 1.00 0.00 C ATOM 915 CG GLN A 61 -14.924 -1.583 9.431 1.00 0.00 C ATOM 916 CD GLN A 61 -15.564 -1.088 10.713 1.00 0.00 C ATOM 917 OE1 GLN A 61 -16.102 -1.873 11.495 1.00 0.00 O ATOM 918 NE2 GLN A 61 -15.509 0.220 10.936 1.00 0.00 N ATOM 0 H GLN A 61 -14.571 -1.915 6.714 1.00 0.00 H new ATOM 0 HA GLN A 61 -14.055 -3.975 8.476 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -16.501 -2.202 8.124 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -16.266 -3.248 9.510 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -13.928 -1.967 9.652 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -14.798 -0.745 8.745 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -15.053 0.834 10.261 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -15.923 0.611 11.783 1.00 0.00 H new ATOM 927 N GLU A 62 -16.735 -4.578 6.624 1.00 0.00 N ATOM 928 CA GLU A 62 -17.612 -5.642 6.150 1.00 0.00 C ATOM 929 C GLU A 62 -17.501 -5.804 4.637 1.00 0.00 C ATOM 930 O GLU A 62 -18.213 -5.162 3.865 1.00 0.00 O ATOM 931 CB GLU A 62 -19.063 -5.349 6.538 1.00 0.00 C ATOM 932 CG GLU A 62 -19.332 -5.477 8.028 1.00 0.00 C ATOM 933 CD GLU A 62 -19.133 -4.170 8.771 1.00 0.00 C ATOM 934 OE1 GLU A 62 -18.544 -3.238 8.185 1.00 0.00 O ATOM 935 OE2 GLU A 62 -19.567 -4.080 9.938 1.00 0.00 O ATOM 0 H GLU A 62 -16.951 -3.654 6.249 1.00 0.00 H new ATOM 0 HA GLU A 62 -17.299 -6.573 6.622 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -19.320 -4.340 6.216 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -19.719 -6.032 5.999 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -20.354 -5.825 8.180 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -18.671 -6.234 8.449 1.00 0.00 H new ATOM 942 N PRO A 63 -16.587 -6.684 4.201 1.00 0.00 N ATOM 943 CA PRO A 63 -16.361 -6.951 2.778 1.00 0.00 C ATOM 944 C PRO A 63 -17.526 -7.697 2.136 1.00 0.00 C ATOM 945 O PRO A 63 -18.236 -8.465 2.785 1.00 0.00 O ATOM 946 CB PRO A 63 -15.103 -7.823 2.776 1.00 0.00 C ATOM 947 CG PRO A 63 -15.094 -8.478 4.115 1.00 0.00 C ATOM 948 CD PRO A 63 -15.703 -7.485 5.065 1.00 0.00 C ATOM 0 HA PRO A 63 -16.260 -6.031 2.202 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -15.134 -8.561 1.974 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -14.206 -7.223 2.623 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -15.667 -9.405 4.100 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -14.079 -8.735 4.417 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -16.260 -7.980 5.861 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -14.942 -6.868 5.544 1.00 0.00 H new ATOM 956 N PRO A 64 -17.729 -7.467 0.830 1.00 0.00 N ATOM 957 CA PRO A 64 -18.807 -8.108 0.072 1.00 0.00 C ATOM 958 C PRO A 64 -18.567 -9.600 -0.128 1.00 0.00 C ATOM 959 O PRO A 64 -19.512 -10.380 -0.259 1.00 0.00 O ATOM 960 CB PRO A 64 -18.779 -7.377 -1.273 1.00 0.00 C ATOM 961 CG PRO A 64 -17.381 -6.878 -1.403 1.00 0.00 C ATOM 962 CD PRO A 64 -16.922 -6.563 -0.006 1.00 0.00 C ATOM 0 HA PRO A 64 -19.764 -8.041 0.589 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -19.038 -8.047 -2.093 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -19.496 -6.556 -1.293 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -16.740 -7.629 -1.864 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -17.340 -5.992 -2.036 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -15.855 -6.747 0.117 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -17.097 -5.518 0.248 1.00 0.00 H new ATOM 970 N HIS A 65 -17.297 -9.993 -0.150 1.00 0.00 N ATOM 971 CA HIS A 65 -16.933 -11.394 -0.334 1.00 0.00 C ATOM 972 C HIS A 65 -17.273 -12.210 0.909 1.00 0.00 C ATOM 973 O HIS A 65 -17.120 -13.432 0.924 1.00 0.00 O ATOM 974 CB HIS A 65 -15.442 -11.518 -0.647 1.00 0.00 C ATOM 975 CG HIS A 65 -14.572 -11.527 0.572 1.00 0.00 C ATOM 976 ND1 HIS A 65 -13.983 -10.390 1.085 1.00 0.00 N ATOM 977 CD2 HIS A 65 -14.193 -12.543 1.381 1.00 0.00 C ATOM 978 CE1 HIS A 65 -13.279 -10.708 2.156 1.00 0.00 C ATOM 979 NE2 HIS A 65 -13.390 -12.008 2.358 1.00 0.00 N ATOM 0 H HIS A 65 -16.503 -9.362 -0.043 1.00 0.00 H new ATOM 0 HA HIS A 65 -17.507 -11.786 -1.174 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -15.273 -12.435 -1.211 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -15.144 -10.690 -1.290 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -14.470 -13.582 1.278 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -12.709 -10.021 2.764 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -12.951 -12.530 3.116 1.00 0.00 H new