USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 288 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 485 MET CE :methyl -163:sc= -0.424 (180deg=-1.11) USER MOD Single : A 490 ASN : amide:sc= -5.09! C(o=-5.1!,f=-15!) USER MOD Single : A 496 TYR OH : rot 180:sc= 0 USER MOD Single : A 498 HIS : no HD1:sc= -5.18! C(o=-5.2!,f=-7.6!) USER MOD Single : A 499 ASN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 500 THR OG1 : rot 87:sc= 1.29 USER MOD Single : A 501 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 502 THR OG1 : rot 180:sc= 0 USER MOD Single : A 503 THR OG1 : rot 174:sc= 0.0274 USER MOD Single : A 504 THR OG1 : rot 170:sc= 0.116 USER MOD Single : B 206 ASN : amide:sc= 0.244 K(o=0.24,f=-0.5) USER MOD ----------------------------------------------------------------- ATOM 29 N PHE A 478 -10.527 -0.088 3.112 1.00 15.00 N ATOM 30 CA PHE A 478 -10.872 0.216 1.707 1.00 15.00 C ATOM 31 C PHE A 478 -10.461 -1.065 1.027 1.00 15.00 C ATOM 32 O PHE A 478 -10.965 -1.518 0.000 1.00 15.00 O ATOM 33 CB PHE A 478 -9.855 1.108 0.989 1.00 15.00 C ATOM 34 CG PHE A 478 -9.079 1.994 1.875 1.00 15.00 C ATOM 35 CD1 PHE A 478 -9.580 2.597 3.009 1.00 15.00 C ATOM 36 CD2 PHE A 478 -7.710 2.009 1.651 1.00 15.00 C ATOM 37 CE1 PHE A 478 -8.710 3.181 3.898 1.00 15.00 C ATOM 38 CE2 PHE A 478 -6.882 2.612 2.492 1.00 15.00 C ATOM 39 CZ PHE A 478 -7.357 3.179 3.613 1.00 15.00 C ATOM 0 HA PHE A 478 -11.882 0.624 1.681 1.00 15.00 H new ATOM 0 HB2 PHE A 478 -9.163 0.474 0.435 1.00 15.00 H new ATOM 0 HB3 PHE A 478 -10.382 1.720 0.257 1.00 15.00 H new ATOM 0 HD1 PHE A 478 -10.644 2.610 3.196 1.00 15.00 H new ATOM 0 HD2 PHE A 478 -7.311 1.520 0.774 1.00 15.00 H new ATOM 0 HE1 PHE A 478 -9.078 3.635 4.806 1.00 15.00 H new ATOM 0 HE2 PHE A 478 -5.824 2.647 2.276 1.00 15.00 H new ATOM 0 HZ PHE A 478 -6.669 3.642 4.305 1.00 15.00 H new ATOM 49 N LEU A 479 -9.426 -1.558 1.690 1.00 15.00 N ATOM 50 CA LEU A 479 -8.236 -2.070 1.086 1.00 15.00 C ATOM 51 C LEU A 479 -7.928 -3.441 1.690 1.00 15.00 C ATOM 52 O LEU A 479 -8.188 -3.658 2.870 1.00 15.00 O ATOM 53 CB LEU A 479 -7.159 -0.957 1.349 1.00 15.00 C ATOM 54 CG LEU A 479 -5.852 -1.027 0.570 1.00 15.00 C ATOM 55 CD1 LEU A 479 -6.020 -0.284 -0.728 1.00 15.00 C ATOM 56 CD2 LEU A 479 -4.713 -0.392 1.342 1.00 15.00 C ATOM 0 H LEU A 479 -9.406 -1.608 2.709 1.00 15.00 H new ATOM 0 HA LEU A 479 -8.295 -2.255 0.014 1.00 15.00 H new ATOM 0 HB2 LEU A 479 -7.620 0.009 1.142 1.00 15.00 H new ATOM 0 HB3 LEU A 479 -6.916 -0.973 2.411 1.00 15.00 H new ATOM 0 HG LEU A 479 -5.613 -2.076 0.397 1.00 15.00 H new ATOM 0 HD11 LEU A 479 -5.090 -0.327 -1.295 1.00 15.00 H new ATOM 0 HD12 LEU A 479 -6.821 -0.742 -1.309 1.00 15.00 H new ATOM 0 HD13 LEU A 479 -6.271 0.756 -0.522 1.00 15.00 H new ATOM 0 HD21 LEU A 479 -3.795 -0.459 0.758 1.00 15.00 H new ATOM 0 HD22 LEU A 479 -4.944 0.655 1.536 1.00 15.00 H new ATOM 0 HD23 LEU A 479 -4.579 -0.915 2.289 1.00 15.00 H new ATOM 68 N PRO A 480 -7.337 -4.355 0.901 1.00 15.00 N ATOM 69 CA PRO A 480 -7.225 -5.788 1.265 1.00 15.00 C ATOM 70 C PRO A 480 -6.438 -6.019 2.578 1.00 15.00 C ATOM 71 O PRO A 480 -5.841 -5.091 3.133 1.00 15.00 O ATOM 72 CB PRO A 480 -6.435 -6.395 0.089 1.00 15.00 C ATOM 73 CG PRO A 480 -6.394 -5.374 -1.000 1.00 15.00 C ATOM 74 CD PRO A 480 -6.726 -4.043 -0.398 1.00 15.00 C ATOM 0 HA PRO A 480 -8.208 -6.228 1.432 1.00 15.00 H new ATOM 0 HB2 PRO A 480 -5.426 -6.662 0.402 1.00 15.00 H new ATOM 0 HB3 PRO A 480 -6.912 -7.310 -0.261 1.00 15.00 H new ATOM 0 HG2 PRO A 480 -5.407 -5.348 -1.461 1.00 15.00 H new ATOM 0 HG3 PRO A 480 -7.107 -5.626 -1.786 1.00 15.00 H new ATOM 0 HD2 PRO A 480 -5.832 -3.431 -0.277 1.00 15.00 H new ATOM 0 HD3 PRO A 480 -7.413 -3.483 -1.033 1.00 15.00 H new ATOM 82 N PRO A 481 -6.410 -7.276 3.077 1.00 15.00 N ATOM 83 CA PRO A 481 -5.687 -7.652 4.310 1.00 15.00 C ATOM 84 C PRO A 481 -4.161 -7.716 4.132 1.00 15.00 C ATOM 85 O PRO A 481 -3.475 -8.444 4.850 1.00 15.00 O ATOM 86 CB PRO A 481 -6.232 -9.055 4.633 1.00 15.00 C ATOM 87 CG PRO A 481 -7.385 -9.271 3.711 1.00 15.00 C ATOM 88 CD PRO A 481 -7.108 -8.432 2.504 1.00 15.00 C ATOM 0 HA PRO A 481 -5.845 -6.912 5.094 1.00 15.00 H new ATOM 0 HB2 PRO A 481 -5.465 -9.815 4.484 1.00 15.00 H new ATOM 0 HB3 PRO A 481 -6.547 -9.121 5.674 1.00 15.00 H new ATOM 0 HG2 PRO A 481 -7.478 -10.323 3.442 1.00 15.00 H new ATOM 0 HG3 PRO A 481 -8.323 -8.978 4.183 1.00 15.00 H new ATOM 0 HD2 PRO A 481 -6.491 -8.959 1.776 1.00 15.00 H new ATOM 0 HD3 PRO A 481 -8.025 -8.140 1.993 1.00 15.00 H new ATOM 96 N GLY A 482 -3.634 -6.915 3.215 1.00 15.00 N ATOM 97 CA GLY A 482 -2.207 -6.876 2.966 1.00 15.00 C ATOM 98 C GLY A 482 -1.698 -5.513 3.229 1.00 15.00 C ATOM 99 O GLY A 482 -0.534 -5.251 3.088 1.00 15.00 O ATOM 0 H GLY A 482 -4.180 -6.282 2.631 1.00 15.00 H new ATOM 0 HA2 GLY A 482 -1.696 -7.596 3.605 1.00 15.00 H new ATOM 0 HA3 GLY A 482 -1.999 -7.161 1.935 1.00 15.00 H new ATOM 103 N TRP A 483 -2.581 -4.627 3.603 1.00 15.00 N ATOM 104 CA TRP A 483 -2.404 -3.283 3.157 1.00 15.00 C ATOM 105 C TRP A 483 -2.382 -2.232 4.217 1.00 15.00 C ATOM 106 O TRP A 483 -3.227 -2.167 5.116 1.00 15.00 O ATOM 107 CB TRP A 483 -3.449 -3.011 2.115 1.00 15.00 C ATOM 108 CG TRP A 483 -3.296 -3.988 1.024 1.00 15.00 C ATOM 109 CD1 TRP A 483 -3.985 -5.117 0.838 1.00 15.00 C ATOM 110 CD2 TRP A 483 -2.314 -3.982 0.030 1.00 15.00 C ATOM 111 NE1 TRP A 483 -3.498 -5.801 -0.234 1.00 15.00 N ATOM 112 CE2 TRP A 483 -2.499 -5.126 -0.733 1.00 15.00 C ATOM 113 CE3 TRP A 483 -1.313 -3.129 -0.304 1.00 15.00 C ATOM 114 CZ2 TRP A 483 -1.752 -5.452 -1.787 1.00 15.00 C ATOM 115 CZ3 TRP A 483 -0.535 -3.449 -1.368 1.00 15.00 C ATOM 116 CH2 TRP A 483 -0.748 -4.608 -2.115 1.00 15.00 C ATOM 0 H TRP A 483 -3.396 -4.804 4.191 1.00 15.00 H new ATOM 0 HA TRP A 483 -1.397 -3.212 2.747 1.00 15.00 H new ATOM 0 HB2 TRP A 483 -4.445 -3.085 2.551 1.00 15.00 H new ATOM 0 HB3 TRP A 483 -3.344 -1.996 1.731 1.00 15.00 H new ATOM 0 HD1 TRP A 483 -4.812 -5.442 1.452 1.00 15.00 H new ATOM 0 HE1 TRP A 483 -3.854 -6.690 -0.587 1.00 15.00 H new ATOM 0 HE3 TRP A 483 -1.141 -2.224 0.260 1.00 15.00 H new ATOM 0 HZ2 TRP A 483 -1.940 -6.351 -2.355 1.00 15.00 H new ATOM 0 HZ3 TRP A 483 0.273 -2.788 -1.645 1.00 15.00 H new ATOM 0 HH2 TRP A 483 -0.110 -4.831 -2.957 1.00 15.00 H new ATOM 127 N GLU A 484 -1.390 -1.398 4.034 1.00 15.00 N ATOM 128 CA GLU A 484 -1.187 -0.209 4.832 1.00 15.00 C ATOM 129 C GLU A 484 -1.367 0.995 3.926 1.00 15.00 C ATOM 130 O GLU A 484 -0.583 1.186 2.998 1.00 15.00 O ATOM 131 CB GLU A 484 0.230 -0.193 5.428 1.00 15.00 C ATOM 132 CG GLU A 484 0.402 0.663 6.666 1.00 15.00 C ATOM 133 CD GLU A 484 -0.904 0.939 7.382 1.00 15.00 C ATOM 134 OE1 GLU A 484 -1.355 0.067 8.152 1.00 15.00 O ATOM 135 OE2 GLU A 484 -1.485 2.019 7.171 1.00 15.00 O ATOM 0 H GLU A 484 -0.683 -1.527 3.310 1.00 15.00 H new ATOM 0 HA GLU A 484 -1.903 -0.189 5.654 1.00 15.00 H new ATOM 0 HB2 GLU A 484 0.516 -1.216 5.671 1.00 15.00 H new ATOM 0 HB3 GLU A 484 0.924 0.158 4.664 1.00 15.00 H new ATOM 0 HG2 GLU A 484 1.088 0.166 7.352 1.00 15.00 H new ATOM 0 HG3 GLU A 484 0.863 1.610 6.385 1.00 15.00 H new ATOM 142 N MET A 485 -2.410 1.773 4.155 1.00 15.00 N ATOM 143 CA MET A 485 -2.582 3.003 3.414 1.00 15.00 C ATOM 144 C MET A 485 -1.887 4.107 4.166 1.00 15.00 C ATOM 145 O MET A 485 -2.390 4.611 5.170 1.00 15.00 O ATOM 146 CB MET A 485 -4.046 3.365 3.222 1.00 15.00 C ATOM 147 CG MET A 485 -4.281 4.540 2.269 1.00 15.00 C ATOM 148 SD MET A 485 -3.999 6.162 3.021 1.00 15.00 S ATOM 149 CE MET A 485 -5.208 6.141 4.346 1.00 15.00 C ATOM 0 H MET A 485 -3.140 1.576 4.839 1.00 15.00 H new ATOM 0 HA MET A 485 -2.153 2.868 2.421 1.00 15.00 H new ATOM 0 HB2 MET A 485 -4.578 2.492 2.843 1.00 15.00 H new ATOM 0 HB3 MET A 485 -4.480 3.606 4.193 1.00 15.00 H new ATOM 0 HG2 MET A 485 -3.625 4.432 1.406 1.00 15.00 H new ATOM 0 HG3 MET A 485 -5.305 4.495 1.898 1.00 15.00 H new ATOM 0 HE1 MET A 485 -5.372 7.157 4.705 1.00 15.00 H new ATOM 0 HE2 MET A 485 -6.147 5.731 3.975 1.00 15.00 H new ATOM 0 HE3 MET A 485 -4.840 5.522 5.164 1.00 15.00 H new ATOM 159 N ARG A 486 -0.701 4.431 3.725 1.00 15.00 N ATOM 160 CA ARG A 486 0.048 5.485 4.348 1.00 15.00 C ATOM 161 C ARG A 486 0.196 6.634 3.380 1.00 15.00 C ATOM 162 O ARG A 486 0.863 6.521 2.364 1.00 15.00 O ATOM 163 CB ARG A 486 1.413 4.978 4.816 1.00 15.00 C ATOM 164 CG ARG A 486 1.327 3.884 5.862 1.00 15.00 C ATOM 165 CD ARG A 486 0.788 4.405 7.182 1.00 15.00 C ATOM 166 NE ARG A 486 1.748 5.274 7.859 1.00 15.00 N ATOM 167 CZ ARG A 486 1.407 6.321 8.599 1.00 15.00 C ATOM 168 NH1 ARG A 486 0.128 6.650 8.739 1.00 15.00 N ATOM 169 NH2 ARG A 486 2.349 7.030 9.199 1.00 15.00 N ATOM 0 H ARG A 486 -0.235 3.980 2.938 1.00 15.00 H new ATOM 0 HA ARG A 486 -0.489 5.834 5.230 1.00 15.00 H new ATOM 0 HB2 ARG A 486 1.967 4.604 3.955 1.00 15.00 H new ATOM 0 HB3 ARG A 486 1.982 5.814 5.222 1.00 15.00 H new ATOM 0 HG2 ARG A 486 0.684 3.083 5.498 1.00 15.00 H new ATOM 0 HG3 ARG A 486 2.316 3.452 6.018 1.00 15.00 H new ATOM 0 HD2 ARG A 486 -0.137 4.954 7.005 1.00 15.00 H new ATOM 0 HD3 ARG A 486 0.540 3.564 7.830 1.00 15.00 H new ATOM 0 HE ARG A 486 2.741 5.063 7.756 1.00 15.00 H new ATOM 0 HH11 ARG A 486 -0.594 6.097 8.277 1.00 15.00 H new ATOM 0 HH12 ARG A 486 -0.132 7.455 9.308 1.00 15.00 H new ATOM 0 HH21 ARG A 486 3.329 6.770 9.091 1.00 15.00 H new ATOM 0 HH22 ARG A 486 2.095 7.836 9.770 1.00 15.00 H new ATOM 183 N ILE A 487 -0.474 7.717 3.688 1.00 15.00 N ATOM 184 CA ILE A 487 -0.339 8.941 2.934 1.00 15.00 C ATOM 185 C ILE A 487 0.775 9.742 3.548 1.00 15.00 C ATOM 186 O ILE A 487 0.714 10.175 4.698 1.00 15.00 O ATOM 187 CB ILE A 487 -1.664 9.699 2.861 1.00 15.00 C ATOM 188 CG1 ILE A 487 -1.441 11.129 2.335 1.00 15.00 C ATOM 189 CG2 ILE A 487 -2.384 9.644 4.196 1.00 15.00 C ATOM 190 CD1 ILE A 487 -2.661 12.020 2.442 1.00 15.00 C ATOM 0 H ILE A 487 -1.128 7.776 4.468 1.00 15.00 H new ATOM 0 HA ILE A 487 -0.081 8.728 1.897 1.00 15.00 H new ATOM 0 HB ILE A 487 -2.323 9.213 2.142 1.00 15.00 H new ATOM 0 HG12 ILE A 487 -0.620 11.585 2.889 1.00 15.00 H new ATOM 0 HG13 ILE A 487 -1.131 11.077 1.291 1.00 15.00 H new ATOM 0 HG21 ILE A 487 -3.325 10.189 4.125 1.00 15.00 H new ATOM 0 HG22 ILE A 487 -2.585 8.605 4.458 1.00 15.00 H new ATOM 0 HG23 ILE A 487 -1.759 10.098 4.965 1.00 15.00 H new ATOM 0 HD11 ILE A 487 -2.424 13.010 2.052 1.00 15.00 H new ATOM 0 HD12 ILE A 487 -3.479 11.588 1.865 1.00 15.00 H new ATOM 0 HD13 ILE A 487 -2.960 12.104 3.487 1.00 15.00 H new ATOM 202 N ALA A 488 1.807 9.900 2.751 1.00 15.00 N ATOM 203 CA ALA A 488 3.077 10.366 3.219 1.00 15.00 C ATOM 204 C ALA A 488 3.113 11.880 3.146 1.00 15.00 C ATOM 205 O ALA A 488 2.415 12.465 2.315 1.00 15.00 O ATOM 206 CB ALA A 488 4.197 9.788 2.379 1.00 15.00 C ATOM 0 H ALA A 488 1.780 9.704 1.750 1.00 15.00 H new ATOM 0 HA ALA A 488 3.215 10.043 4.251 1.00 15.00 H new ATOM 0 HB1 ALA A 488 5.155 10.153 2.749 1.00 15.00 H new ATOM 0 HB2 ALA A 488 4.175 8.700 2.442 1.00 15.00 H new ATOM 0 HB3 ALA A 488 4.069 10.094 1.341 1.00 15.00 H new ATOM 212 N PRO A 489 3.875 12.537 4.032 1.00 15.00 N ATOM 213 CA PRO A 489 3.953 14.007 4.098 1.00 15.00 C ATOM 214 C PRO A 489 4.329 14.687 2.770 1.00 15.00 C ATOM 215 O PRO A 489 4.371 15.917 2.694 1.00 15.00 O ATOM 216 CB PRO A 489 5.043 14.263 5.143 1.00 15.00 C ATOM 217 CG PRO A 489 5.070 13.033 5.981 1.00 15.00 C ATOM 218 CD PRO A 489 4.718 11.897 5.064 1.00 15.00 C ATOM 0 HA PRO A 489 2.977 14.427 4.342 1.00 15.00 H new ATOM 0 HB2 PRO A 489 6.009 14.440 4.670 1.00 15.00 H new ATOM 0 HB3 PRO A 489 4.816 15.144 5.743 1.00 15.00 H new ATOM 0 HG2 PRO A 489 6.055 12.885 6.425 1.00 15.00 H new ATOM 0 HG3 PRO A 489 4.358 13.106 6.803 1.00 15.00 H new ATOM 0 HD2 PRO A 489 5.608 11.441 4.630 1.00 15.00 H new ATOM 0 HD3 PRO A 489 4.180 11.108 5.590 1.00 15.00 H new ATOM 226 N ASN A 490 4.593 13.907 1.727 1.00 15.00 N ATOM 227 CA ASN A 490 4.939 14.462 0.430 1.00 15.00 C ATOM 228 C ASN A 490 3.723 14.431 -0.489 1.00 15.00 C ATOM 229 O ASN A 490 3.712 15.061 -1.545 1.00 15.00 O ATOM 230 CB ASN A 490 6.113 13.697 -0.192 1.00 15.00 C ATOM 231 CG ASN A 490 5.799 12.231 -0.406 1.00 15.00 C ATOM 232 OD1 ASN A 490 4.891 11.688 0.218 1.00 15.00 O ATOM 233 ND2 ASN A 490 6.560 11.566 -1.255 1.00 15.00 N ATOM 0 H ASN A 490 4.573 12.888 1.758 1.00 15.00 H new ATOM 0 HA ASN A 490 5.249 15.498 0.563 1.00 15.00 H new ATOM 0 HB2 ASN A 490 6.375 14.153 -1.147 1.00 15.00 H new ATOM 0 HB3 ASN A 490 6.986 13.788 0.455 1.00 15.00 H new ATOM 0 HD21 ASN A 490 6.402 10.570 -1.409 1.00 15.00 H new ATOM 0 HD22 ASN A 490 7.306 12.048 -1.757 1.00 15.00 H new ATOM 240 N GLY A 491 2.710 13.662 -0.090 1.00 15.00 N ATOM 241 CA GLY A 491 1.521 13.524 -0.901 1.00 15.00 C ATOM 242 C GLY A 491 1.464 12.162 -1.548 1.00 15.00 C ATOM 243 O GLY A 491 0.968 12.007 -2.663 1.00 15.00 O ATOM 0 H GLY A 491 2.697 13.134 0.782 1.00 15.00 H new ATOM 0 HA2 GLY A 491 0.636 13.675 -0.283 1.00 15.00 H new ATOM 0 HA3 GLY A 491 1.509 14.297 -1.670 1.00 15.00 H new ATOM 247 N ARG A 492 1.991 11.176 -0.842 1.00 15.00 N ATOM 248 CA ARG A 492 2.092 9.823 -1.359 1.00 15.00 C ATOM 249 C ARG A 492 1.403 8.824 -0.449 1.00 15.00 C ATOM 250 O ARG A 492 1.948 8.450 0.576 1.00 15.00 O ATOM 251 CB ARG A 492 3.559 9.429 -1.483 1.00 15.00 C ATOM 252 CG ARG A 492 4.297 10.116 -2.609 1.00 15.00 C ATOM 253 CD ARG A 492 3.987 9.592 -3.995 1.00 15.00 C ATOM 254 NE ARG A 492 5.113 9.836 -4.899 1.00 15.00 N ATOM 255 CZ ARG A 492 5.115 9.550 -6.201 1.00 15.00 C ATOM 256 NH1 ARG A 492 4.067 8.957 -6.758 1.00 15.00 N ATOM 257 NH2 ARG A 492 6.179 9.838 -6.942 1.00 15.00 N ATOM 0 H ARG A 492 2.359 11.291 0.102 1.00 15.00 H new ATOM 0 HA ARG A 492 1.603 9.807 -2.333 1.00 15.00 H new ATOM 0 HB2 ARG A 492 4.064 9.654 -0.543 1.00 15.00 H new ATOM 0 HB3 ARG A 492 3.622 8.351 -1.628 1.00 15.00 H new ATOM 0 HG2 ARG A 492 4.064 11.180 -2.579 1.00 15.00 H new ATOM 0 HG3 ARG A 492 5.368 10.020 -2.432 1.00 15.00 H new ATOM 0 HD2 ARG A 492 3.776 8.524 -3.948 1.00 15.00 H new ATOM 0 HD3 ARG A 492 3.091 10.077 -4.382 1.00 15.00 H new ATOM 0 HE ARG A 492 5.955 10.254 -4.504 1.00 15.00 H new ATOM 0 HH11 ARG A 492 3.255 8.718 -6.190 1.00 15.00 H new ATOM 0 HH12 ARG A 492 4.074 8.740 -7.755 1.00 15.00 H new ATOM 0 HH21 ARG A 492 6.994 10.278 -6.515 1.00 15.00 H new ATOM 0 HH22 ARG A 492 6.181 9.619 -7.938 1.00 15.00 H new ATOM 271 N PRO A 493 0.191 8.402 -0.790 1.00 15.00 N ATOM 272 CA PRO A 493 -0.453 7.270 -0.145 1.00 15.00 C ATOM 273 C PRO A 493 -0.091 6.010 -0.853 1.00 15.00 C ATOM 274 O PRO A 493 -0.573 5.705 -1.944 1.00 15.00 O ATOM 275 CB PRO A 493 -1.951 7.589 -0.264 1.00 15.00 C ATOM 276 CG PRO A 493 -1.988 8.967 -0.845 1.00 15.00 C ATOM 277 CD PRO A 493 -0.745 9.069 -1.679 1.00 15.00 C ATOM 0 HA PRO A 493 -0.152 7.123 0.892 1.00 15.00 H new ATOM 0 HB2 PRO A 493 -2.461 6.872 -0.907 1.00 15.00 H new ATOM 0 HB3 PRO A 493 -2.444 7.553 0.707 1.00 15.00 H new ATOM 0 HG2 PRO A 493 -2.883 9.117 -1.450 1.00 15.00 H new ATOM 0 HG3 PRO A 493 -2.002 9.725 -0.062 1.00 15.00 H new ATOM 0 HD2 PRO A 493 -0.842 8.565 -2.640 1.00 15.00 H new ATOM 0 HD3 PRO A 493 -0.463 10.101 -1.887 1.00 15.00 H new ATOM 285 N PHE A 494 0.843 5.313 -0.231 1.00 15.00 N ATOM 286 CA PHE A 494 1.401 4.153 -0.816 1.00 15.00 C ATOM 287 C PHE A 494 0.484 3.056 -0.316 1.00 15.00 C ATOM 288 O PHE A 494 0.274 2.946 0.894 1.00 15.00 O ATOM 289 CB PHE A 494 2.781 3.826 -0.240 1.00 15.00 C ATOM 290 CG PHE A 494 3.616 4.972 0.285 1.00 15.00 C ATOM 291 CD1 PHE A 494 3.394 5.391 1.585 1.00 15.00 C ATOM 292 CD2 PHE A 494 4.669 5.536 -0.407 1.00 15.00 C ATOM 293 CE1 PHE A 494 4.164 6.336 2.176 1.00 15.00 C ATOM 294 CE2 PHE A 494 5.473 6.483 0.199 1.00 15.00 C ATOM 295 CZ PHE A 494 5.216 6.883 1.496 1.00 15.00 C ATOM 0 H PHE A 494 1.220 5.550 0.687 1.00 15.00 H new ATOM 0 HA PHE A 494 1.496 4.266 -1.896 1.00 15.00 H new ATOM 0 HB2 PHE A 494 2.644 3.112 0.572 1.00 15.00 H new ATOM 0 HB3 PHE A 494 3.356 3.320 -1.016 1.00 15.00 H new ATOM 0 HD1 PHE A 494 2.582 4.951 2.145 1.00 15.00 H new ATOM 0 HD2 PHE A 494 4.865 5.236 -1.426 1.00 15.00 H new ATOM 0 HE1 PHE A 494 3.947 6.657 3.184 1.00 15.00 H new ATOM 0 HE2 PHE A 494 6.304 6.911 -0.342 1.00 15.00 H new ATOM 0 HZ PHE A 494 5.843 7.624 1.970 1.00 15.00 H new ATOM 305 N PHE A 495 -0.069 2.269 -1.182 1.00 15.00 N ATOM 306 CA PHE A 495 -0.847 1.150 -0.734 1.00 15.00 C ATOM 307 C PHE A 495 0.136 -0.026 -0.595 1.00 15.00 C ATOM 308 O PHE A 495 0.588 -0.566 -1.600 1.00 15.00 O ATOM 309 CB PHE A 495 -1.935 0.804 -1.754 1.00 15.00 C ATOM 310 CG PHE A 495 -2.927 1.906 -2.009 1.00 15.00 C ATOM 311 CD1 PHE A 495 -3.861 2.252 -1.047 1.00 15.00 C ATOM 312 CD2 PHE A 495 -2.926 2.597 -3.213 1.00 15.00 C ATOM 313 CE1 PHE A 495 -4.773 3.265 -1.276 1.00 15.00 C ATOM 314 CE2 PHE A 495 -3.836 3.609 -3.448 1.00 15.00 C ATOM 315 CZ PHE A 495 -4.760 3.944 -2.476 1.00 15.00 C ATOM 0 H PHE A 495 -0.000 2.375 -2.194 1.00 15.00 H new ATOM 0 HA PHE A 495 -1.346 1.373 0.209 1.00 15.00 H new ATOM 0 HB2 PHE A 495 -1.459 0.536 -2.697 1.00 15.00 H new ATOM 0 HB3 PHE A 495 -2.473 -0.078 -1.407 1.00 15.00 H new ATOM 0 HD1 PHE A 495 -3.877 1.723 -0.105 1.00 15.00 H new ATOM 0 HD2 PHE A 495 -2.205 2.340 -3.975 1.00 15.00 H new ATOM 0 HE1 PHE A 495 -5.495 3.524 -0.516 1.00 15.00 H new ATOM 0 HE2 PHE A 495 -3.826 4.138 -4.390 1.00 15.00 H new ATOM 0 HZ PHE A 495 -5.471 4.737 -2.656 1.00 15.00 H new ATOM 325 N TYR A 496 0.554 -0.361 0.624 1.00 15.00 N ATOM 326 CA TYR A 496 1.644 -1.334 0.799 1.00 15.00 C ATOM 327 C TYR A 496 1.164 -2.691 1.329 1.00 15.00 C ATOM 328 O TYR A 496 0.454 -2.761 2.335 1.00 15.00 O ATOM 329 CB TYR A 496 2.748 -0.728 1.691 1.00 15.00 C ATOM 330 CG TYR A 496 3.490 -1.720 2.585 1.00 15.00 C ATOM 331 CD1 TYR A 496 3.027 -2.015 3.866 1.00 15.00 C ATOM 332 CD2 TYR A 496 4.662 -2.346 2.161 1.00 15.00 C ATOM 333 CE1 TYR A 496 3.701 -2.902 4.686 1.00 15.00 C ATOM 334 CE2 TYR A 496 5.337 -3.232 2.983 1.00 15.00 C ATOM 335 CZ TYR A 496 4.852 -3.505 4.242 1.00 15.00 C ATOM 336 OH TYR A 496 5.520 -4.389 5.060 1.00 15.00 O ATOM 0 H TYR A 496 0.169 0.014 1.491 1.00 15.00 H new ATOM 0 HA TYR A 496 2.059 -1.541 -0.187 1.00 15.00 H new ATOM 0 HB2 TYR A 496 3.475 -0.229 1.050 1.00 15.00 H new ATOM 0 HB3 TYR A 496 2.300 0.039 2.323 1.00 15.00 H new ATOM 0 HD1 TYR A 496 2.125 -1.542 4.225 1.00 15.00 H new ATOM 0 HD2 TYR A 496 5.049 -2.136 1.175 1.00 15.00 H new ATOM 0 HE1 TYR A 496 3.323 -3.120 5.674 1.00 15.00 H new ATOM 0 HE2 TYR A 496 6.243 -3.708 2.637 1.00 15.00 H new ATOM 0 HH TYR A 496 6.314 -4.728 4.596 1.00 15.00 H new ATOM 346 N ASP A 497 1.602 -3.763 0.651 1.00 15.00 N ATOM 347 CA ASP A 497 1.218 -5.150 0.978 1.00 15.00 C ATOM 348 C ASP A 497 2.225 -5.703 1.992 1.00 15.00 C ATOM 349 O ASP A 497 3.424 -5.526 1.807 1.00 15.00 O ATOM 350 CB ASP A 497 1.295 -6.037 -0.272 1.00 15.00 C ATOM 351 CG ASP A 497 1.053 -7.505 0.040 1.00 15.00 C ATOM 352 OD1 ASP A 497 0.328 -7.804 1.010 1.00 15.00 O ATOM 353 OD2 ASP A 497 1.599 -8.371 -0.678 1.00 15.00 O ATOM 0 H ASP A 497 2.236 -3.694 -0.145 1.00 15.00 H new ATOM 0 HA ASP A 497 0.201 -5.151 1.371 1.00 15.00 H new ATOM 0 HB2 ASP A 497 0.559 -5.698 -1.000 1.00 15.00 H new ATOM 0 HB3 ASP A 497 2.276 -5.924 -0.734 1.00 15.00 H new ATOM 358 N HIS A 498 1.762 -6.383 3.035 1.00 15.00 N ATOM 359 CA HIS A 498 2.668 -6.917 4.055 1.00 15.00 C ATOM 360 C HIS A 498 3.072 -8.339 3.691 1.00 15.00 C ATOM 361 O HIS A 498 3.988 -8.904 4.287 1.00 15.00 O ATOM 362 CB HIS A 498 2.034 -6.917 5.461 1.00 15.00 C ATOM 363 CG HIS A 498 1.461 -5.601 5.913 1.00 15.00 C ATOM 364 ND1 HIS A 498 0.983 -4.664 5.034 1.00 15.00 N ATOM 365 CD2 HIS A 498 1.177 -5.117 7.149 1.00 15.00 C ATOM 366 CE1 HIS A 498 0.412 -3.692 5.681 1.00 15.00 C ATOM 367 NE2 HIS A 498 0.517 -3.926 6.971 1.00 15.00 N ATOM 0 H HIS A 498 0.774 -6.578 3.199 1.00 15.00 H new ATOM 0 HA HIS A 498 3.542 -6.266 4.082 1.00 15.00 H new ATOM 0 HB2 HIS A 498 1.242 -7.665 5.483 1.00 15.00 H new ATOM 0 HB3 HIS A 498 2.789 -7.231 6.181 1.00 15.00 H new ATOM 0 HD2 HIS A 498 1.423 -5.580 8.093 1.00 15.00 H new ATOM 0 HE1 HIS A 498 -0.069 -2.835 5.234 1.00 15.00 H new ATOM 0 HE2 HIS A 498 0.167 -3.323 7.715 1.00 15.00 H new ATOM 376 N ASN A 499 2.371 -8.925 2.723 1.00 15.00 N ATOM 377 CA ASN A 499 2.705 -10.267 2.259 1.00 15.00 C ATOM 378 C ASN A 499 3.947 -10.216 1.390 1.00 15.00 C ATOM 379 O ASN A 499 4.926 -10.914 1.641 1.00 15.00 O ATOM 380 CB ASN A 499 1.550 -10.901 1.469 1.00 15.00 C ATOM 381 CG ASN A 499 0.449 -11.476 2.347 1.00 15.00 C ATOM 382 OD1 ASN A 499 0.218 -10.874 3.505 1.00 15.00 O flip ATOM 383 ND2 ASN A 499 -0.194 -12.460 1.981 1.00 15.00 N flip ATOM 0 H ASN A 499 1.576 -8.496 2.249 1.00 15.00 H new ATOM 0 HA ASN A 499 2.890 -10.885 3.138 1.00 15.00 H new ATOM 0 HB2 ASN A 499 1.119 -10.150 0.807 1.00 15.00 H new ATOM 0 HB3 ASN A 499 1.948 -11.694 0.835 1.00 15.00 H new ATOM 0 HD21 ASN A 499 0.011 -12.898 1.083 1.00 15.00 H new ATOM 0 HD22 ASN A 499 -0.932 -12.837 2.576 1.00 15.00 H new ATOM 390 N THR A 500 3.898 -9.379 0.367 1.00 15.00 N ATOM 391 CA THR A 500 5.029 -9.193 -0.526 1.00 15.00 C ATOM 392 C THR A 500 5.957 -8.100 0.010 1.00 15.00 C ATOM 393 O THR A 500 7.087 -7.945 -0.455 1.00 15.00 O ATOM 394 CB THR A 500 4.545 -8.807 -1.938 1.00 15.00 C ATOM 395 OG1 THR A 500 3.349 -9.535 -2.259 1.00 15.00 O ATOM 396 CG2 THR A 500 5.611 -9.100 -2.984 1.00 15.00 C ATOM 0 H THR A 500 3.081 -8.814 0.134 1.00 15.00 H new ATOM 0 HA THR A 500 5.576 -10.134 -0.581 1.00 15.00 H new ATOM 0 HB THR A 500 4.340 -7.736 -1.944 1.00 15.00 H new ATOM 0 HG1 THR A 500 2.568 -9.043 -1.930 1.00 15.00 H new ATOM 0 HG21 THR A 500 5.241 -8.818 -3.970 1.00 15.00 H new ATOM 0 HG22 THR A 500 6.511 -8.528 -2.757 1.00 15.00 H new ATOM 0 HG23 THR A 500 5.846 -10.164 -2.976 1.00 15.00 H new ATOM 404 N LYS A 501 5.458 -7.351 0.999 1.00 15.00 N ATOM 405 CA LYS A 501 6.188 -6.223 1.589 1.00 15.00 C ATOM 406 C LYS A 501 6.523 -5.189 0.523 1.00 15.00 C ATOM 407 O LYS A 501 7.553 -4.520 0.582 1.00 15.00 O ATOM 408 CB LYS A 501 7.458 -6.697 2.293 1.00 15.00 C ATOM 409 CG LYS A 501 7.191 -7.632 3.461 1.00 15.00 C ATOM 410 CD LYS A 501 8.477 -8.015 4.174 1.00 15.00 C ATOM 411 CE LYS A 501 9.395 -8.826 3.274 1.00 15.00 C ATOM 412 NZ LYS A 501 10.694 -9.113 3.931 1.00 15.00 N ATOM 0 H LYS A 501 4.539 -7.509 1.412 1.00 15.00 H new ATOM 0 HA LYS A 501 5.544 -5.758 2.335 1.00 15.00 H new ATOM 0 HB2 LYS A 501 8.097 -7.205 1.570 1.00 15.00 H new ATOM 0 HB3 LYS A 501 8.011 -5.829 2.652 1.00 15.00 H new ATOM 0 HG2 LYS A 501 6.513 -7.151 4.166 1.00 15.00 H new ATOM 0 HG3 LYS A 501 6.692 -8.532 3.101 1.00 15.00 H new ATOM 0 HD2 LYS A 501 8.993 -7.113 4.504 1.00 15.00 H new ATOM 0 HD3 LYS A 501 8.240 -8.592 5.068 1.00 15.00 H new ATOM 0 HE2 LYS A 501 8.907 -9.763 3.007 1.00 15.00 H new ATOM 0 HE3 LYS A 501 9.569 -8.281 2.346 1.00 15.00 H new ATOM 0 HZ1 LYS A 501 11.294 -9.668 3.287 1.00 15.00 H new ATOM 0 HZ2 LYS A 501 11.171 -8.218 4.163 1.00 15.00 H new ATOM 0 HZ3 LYS A 501 10.530 -9.654 4.804 1.00 15.00 H new ATOM 426 N THR A 502 5.603 -5.022 -0.410 1.00 15.00 N ATOM 427 CA THR A 502 5.810 -4.129 -1.535 1.00 15.00 C ATOM 428 C THR A 502 4.984 -2.855 -1.378 1.00 15.00 C ATOM 429 O THR A 502 3.796 -2.901 -1.046 1.00 15.00 O ATOM 430 CB THR A 502 5.464 -4.822 -2.876 1.00 15.00 C ATOM 431 OG1 THR A 502 5.592 -3.905 -3.972 1.00 15.00 O ATOM 432 CG2 THR A 502 4.051 -5.393 -2.853 1.00 15.00 C ATOM 0 H THR A 502 4.700 -5.496 -0.410 1.00 15.00 H new ATOM 0 HA THR A 502 6.867 -3.863 -1.549 1.00 15.00 H new ATOM 0 HB THR A 502 6.171 -5.641 -3.011 1.00 15.00 H new ATOM 0 HG1 THR A 502 5.371 -4.363 -4.810 1.00 15.00 H new ATOM 0 HG21 THR A 502 3.837 -5.873 -3.808 1.00 15.00 H new ATOM 0 HG22 THR A 502 3.968 -6.127 -2.051 1.00 15.00 H new ATOM 0 HG23 THR A 502 3.336 -4.588 -2.683 1.00 15.00 H new ATOM 440 N THR A 503 5.631 -1.721 -1.582 1.00 15.00 N ATOM 441 CA THR A 503 4.947 -0.448 -1.623 1.00 15.00 C ATOM 442 C THR A 503 4.523 -0.159 -3.060 1.00 15.00 C ATOM 443 O THR A 503 5.298 -0.383 -3.990 1.00 15.00 O ATOM 444 CB THR A 503 5.867 0.684 -1.115 1.00 15.00 C ATOM 445 OG1 THR A 503 7.185 0.519 -1.655 1.00 15.00 O ATOM 446 CG2 THR A 503 5.946 0.706 0.404 1.00 15.00 C ATOM 0 H THR A 503 6.639 -1.660 -1.723 1.00 15.00 H new ATOM 0 HA THR A 503 4.071 -0.494 -0.976 1.00 15.00 H new ATOM 0 HB THR A 503 5.441 1.630 -1.448 1.00 15.00 H new ATOM 0 HG1 THR A 503 7.740 1.287 -1.404 1.00 15.00 H new ATOM 0 HG21 THR A 503 6.602 1.516 0.723 1.00 15.00 H new ATOM 0 HG22 THR A 503 4.950 0.862 0.818 1.00 15.00 H new ATOM 0 HG23 THR A 503 6.343 -0.244 0.762 1.00 15.00 H new ATOM 454 N THR A 504 3.301 0.300 -3.258 1.00 15.00 N ATOM 455 CA THR A 504 2.822 0.562 -4.602 1.00 15.00 C ATOM 456 C THR A 504 1.861 1.740 -4.613 1.00 15.00 C ATOM 457 O THR A 504 1.203 2.008 -3.626 1.00 15.00 O ATOM 458 CB THR A 504 2.130 -0.684 -5.190 1.00 15.00 C ATOM 459 OG1 THR A 504 2.045 -0.566 -6.611 1.00 15.00 O ATOM 460 CG2 THR A 504 0.732 -0.878 -4.623 1.00 15.00 C ATOM 0 H THR A 504 2.630 0.497 -2.516 1.00 15.00 H new ATOM 0 HA THR A 504 3.685 0.808 -5.220 1.00 15.00 H new ATOM 0 HB THR A 504 2.732 -1.551 -4.917 1.00 15.00 H new ATOM 0 HG1 THR A 504 1.755 -1.420 -6.993 1.00 15.00 H new ATOM 0 HG21 THR A 504 0.281 -1.767 -5.064 1.00 15.00 H new ATOM 0 HG22 THR A 504 0.792 -1.000 -3.541 1.00 15.00 H new ATOM 0 HG23 THR A 504 0.120 -0.007 -4.857 1.00 15.00 H new ATOM 468 N TRP A 505 1.807 2.473 -5.709 1.00 15.00 N ATOM 469 CA TRP A 505 0.792 3.504 -5.852 1.00 15.00 C ATOM 470 C TRP A 505 -0.381 2.921 -6.636 1.00 15.00 C ATOM 471 O TRP A 505 -1.384 3.594 -6.891 1.00 15.00 O ATOM 472 CB TRP A 505 1.335 4.737 -6.578 1.00 15.00 C ATOM 473 CG TRP A 505 2.789 5.018 -6.337 1.00 15.00 C ATOM 474 CD1 TRP A 505 3.806 4.739 -7.202 1.00 15.00 C ATOM 475 CD2 TRP A 505 3.399 5.633 -5.183 1.00 15.00 C ATOM 476 NE1 TRP A 505 5.002 5.141 -6.674 1.00 15.00 N ATOM 477 CE2 TRP A 505 4.783 5.693 -5.444 1.00 15.00 C ATOM 478 CE3 TRP A 505 2.932 6.147 -3.958 1.00 15.00 C ATOM 479 CZ2 TRP A 505 5.689 6.236 -4.544 1.00 15.00 C ATOM 480 CZ3 TRP A 505 3.835 6.680 -3.081 1.00 15.00 C ATOM 481 CH2 TRP A 505 5.197 6.724 -3.373 1.00 15.00 C ATOM 0 H TRP A 505 2.441 2.378 -6.502 1.00 15.00 H new ATOM 0 HA TRP A 505 0.474 3.823 -4.859 1.00 15.00 H new ATOM 0 HB2 TRP A 505 1.176 4.610 -7.649 1.00 15.00 H new ATOM 0 HB3 TRP A 505 0.755 5.607 -6.271 1.00 15.00 H new ATOM 0 HD1 TRP A 505 3.684 4.268 -8.166 1.00 15.00 H new ATOM 0 HE1 TRP A 505 5.911 5.044 -7.126 1.00 15.00 H new ATOM 0 HE3 TRP A 505 1.880 6.121 -3.716 1.00 15.00 H new ATOM 0 HZ2 TRP A 505 6.746 6.270 -4.765 1.00 15.00 H new ATOM 0 HZ3 TRP A 505 3.485 7.076 -2.139 1.00 15.00 H new ATOM 0 HH2 TRP A 505 5.877 7.155 -2.654 1.00 15.00 H new ATOM 492 N GLU A 506 -0.231 1.653 -7.014 1.00 15.00 N ATOM 493 CA GLU A 506 -1.234 0.940 -7.794 1.00 15.00 C ATOM 494 C GLU A 506 -2.316 0.376 -6.883 1.00 15.00 C ATOM 495 O GLU A 506 -2.052 0.033 -5.732 1.00 15.00 O ATOM 496 CB GLU A 506 -0.570 -0.186 -8.587 1.00 15.00 C ATOM 497 CG GLU A 506 0.556 0.298 -9.484 1.00 15.00 C ATOM 498 CD GLU A 506 1.162 -0.808 -10.317 1.00 15.00 C ATOM 499 OE1 GLU A 506 2.052 -1.526 -9.811 1.00 15.00 O ATOM 500 OE2 GLU A 506 0.769 -0.949 -11.489 1.00 15.00 O ATOM 0 H GLU A 506 0.591 1.093 -6.787 1.00 15.00 H new ATOM 0 HA GLU A 506 -1.700 1.638 -8.489 1.00 15.00 H new ATOM 0 HB2 GLU A 506 -0.179 -0.929 -7.892 1.00 15.00 H new ATOM 0 HB3 GLU A 506 -1.323 -0.685 -9.197 1.00 15.00 H new ATOM 0 HG2 GLU A 506 0.177 1.078 -10.145 1.00 15.00 H new ATOM 0 HG3 GLU A 506 1.334 0.751 -8.869 1.00 15.00 H new ATOM 507 N ASP A 507 -3.524 0.267 -7.410 1.00 15.00 N ATOM 508 CA ASP A 507 -4.672 -0.154 -6.617 1.00 15.00 C ATOM 509 C ASP A 507 -4.606 -1.646 -6.266 1.00 15.00 C ATOM 510 O ASP A 507 -4.704 -2.507 -7.122 1.00 15.00 O ATOM 511 CB ASP A 507 -5.959 0.173 -7.363 1.00 15.00 C ATOM 512 CG ASP A 507 -7.183 0.071 -6.482 1.00 15.00 C ATOM 513 OD1 ASP A 507 -7.548 -1.051 -6.079 1.00 15.00 O ATOM 514 OD2 ASP A 507 -7.788 1.122 -6.181 1.00 15.00 O ATOM 0 H ASP A 507 -3.738 0.465 -8.388 1.00 15.00 H new ATOM 0 HA ASP A 507 -4.655 0.395 -5.675 1.00 15.00 H new ATOM 0 HB2 ASP A 507 -5.892 1.182 -7.771 1.00 15.00 H new ATOM 0 HB3 ASP A 507 -6.067 -0.506 -8.209 1.00 15.00 H new ATOM 519 N PRO A 508 -4.474 -1.933 -4.967 1.00 15.00 N ATOM 520 CA PRO A 508 -4.262 -3.271 -4.387 1.00 15.00 C ATOM 521 C PRO A 508 -5.510 -4.060 -4.271 1.00 15.00 C ATOM 522 O PRO A 508 -5.495 -5.230 -3.952 1.00 15.00 O ATOM 523 CB PRO A 508 -3.708 -2.998 -3.004 1.00 15.00 C ATOM 524 CG PRO A 508 -3.733 -1.526 -2.833 1.00 15.00 C ATOM 525 CD PRO A 508 -4.578 -0.942 -3.912 1.00 15.00 C ATOM 0 HA PRO A 508 -3.602 -3.862 -5.023 1.00 15.00 H new ATOM 0 HB2 PRO A 508 -4.310 -3.489 -2.239 1.00 15.00 H new ATOM 0 HB3 PRO A 508 -2.693 -3.384 -2.908 1.00 15.00 H new ATOM 0 HG2 PRO A 508 -4.134 -1.265 -1.854 1.00 15.00 H new ATOM 0 HG3 PRO A 508 -2.722 -1.121 -2.882 1.00 15.00 H new ATOM 0 HD2 PRO A 508 -5.609 -0.802 -3.588 1.00 15.00 H new ATOM 0 HD3 PRO A 508 -4.209 0.032 -4.233 1.00 15.00 H new ATOM 533 N ARG A 509 -6.598 -3.422 -4.510 1.00 15.00 N ATOM 534 CA ARG A 509 -7.863 -4.002 -4.276 1.00 15.00 C ATOM 535 C ARG A 509 -8.080 -4.892 -5.456 1.00 15.00 C ATOM 536 O ARG A 509 -9.037 -5.659 -5.558 1.00 15.00 O ATOM 537 CB ARG A 509 -8.872 -2.897 -4.057 1.00 15.00 C ATOM 538 CG ARG A 509 -8.300 -1.899 -3.059 1.00 15.00 C ATOM 539 CD ARG A 509 -9.263 -0.770 -2.739 1.00 15.00 C ATOM 540 NE ARG A 509 -9.181 0.278 -3.753 1.00 15.00 N ATOM 541 CZ ARG A 509 -9.600 1.528 -3.583 1.00 15.00 C ATOM 542 NH1 ARG A 509 -10.320 1.865 -2.522 1.00 15.00 N ATOM 543 NH2 ARG A 509 -9.329 2.429 -4.510 1.00 15.00 N ATOM 0 H ARG A 509 -6.632 -2.471 -4.878 1.00 15.00 H new ATOM 0 HA ARG A 509 -7.956 -4.608 -3.375 1.00 15.00 H new ATOM 0 HB2 ARG A 509 -9.098 -2.400 -5.000 1.00 15.00 H new ATOM 0 HB3 ARG A 509 -9.809 -3.310 -3.683 1.00 15.00 H new ATOM 0 HG2 ARG A 509 -8.040 -2.421 -2.138 1.00 15.00 H new ATOM 0 HG3 ARG A 509 -7.377 -1.480 -3.459 1.00 15.00 H new ATOM 0 HD2 ARG A 509 -10.281 -1.156 -2.689 1.00 15.00 H new ATOM 0 HD3 ARG A 509 -9.031 -0.354 -1.759 1.00 15.00 H new ATOM 0 HE ARG A 509 -8.773 0.033 -4.655 1.00 15.00 H new ATOM 0 HH11 ARG A 509 -10.559 1.161 -1.823 1.00 15.00 H new ATOM 0 HH12 ARG A 509 -10.635 2.828 -2.404 1.00 15.00 H new ATOM 0 HH21 ARG A 509 -8.805 2.162 -5.343 1.00 15.00 H new ATOM 0 HH22 ARG A 509 -9.644 3.392 -4.393 1.00 15.00 H new ATOM 557 N LEU A 510 -7.149 -4.713 -6.385 1.00 15.00 N ATOM 558 CA LEU A 510 -7.086 -5.545 -7.541 1.00 15.00 C ATOM 559 C LEU A 510 -6.757 -7.006 -7.145 1.00 15.00 C ATOM 560 O LEU A 510 -7.170 -7.955 -7.809 1.00 15.00 O ATOM 561 CB LEU A 510 -6.072 -5.023 -8.594 1.00 15.00 C ATOM 562 CG LEU A 510 -4.574 -5.335 -8.350 1.00 15.00 C ATOM 563 CD1 LEU A 510 -4.212 -6.754 -8.780 1.00 15.00 C ATOM 564 CD2 LEU A 510 -3.690 -4.346 -9.094 1.00 15.00 C ATOM 0 H LEU A 510 -6.431 -3.990 -6.344 1.00 15.00 H new ATOM 0 HA LEU A 510 -8.071 -5.517 -8.006 1.00 15.00 H new ATOM 0 HB2 LEU A 510 -6.349 -5.436 -9.564 1.00 15.00 H new ATOM 0 HB3 LEU A 510 -6.185 -3.941 -8.664 1.00 15.00 H new ATOM 0 HG LEU A 510 -4.403 -5.245 -7.277 1.00 15.00 H new ATOM 0 HD11 LEU A 510 -3.153 -6.932 -8.592 1.00 15.00 H new ATOM 0 HD12 LEU A 510 -4.807 -7.469 -8.212 1.00 15.00 H new ATOM 0 HD13 LEU A 510 -4.417 -6.875 -9.844 1.00 15.00 H new ATOM 0 HD21 LEU A 510 -2.642 -4.583 -8.909 1.00 15.00 H new ATOM 0 HD22 LEU A 510 -3.893 -4.409 -10.163 1.00 15.00 H new ATOM 0 HD23 LEU A 510 -3.900 -3.335 -8.744 1.00 15.00 H new ATOM 701 N PRO B 205 4.860 1.700 6.027 1.00 15.00 N ATOM 702 CA PRO B 205 5.390 2.057 4.701 1.00 15.00 C ATOM 703 C PRO B 205 5.510 3.568 4.459 1.00 15.00 C ATOM 704 O PRO B 205 4.505 4.263 4.347 1.00 15.00 O ATOM 705 CB PRO B 205 4.348 1.471 3.739 1.00 15.00 C ATOM 706 CG PRO B 205 3.129 1.238 4.563 1.00 15.00 C ATOM 707 CD PRO B 205 3.631 0.895 5.925 1.00 15.00 C ATOM 0 HA PRO B 205 6.404 1.677 4.578 1.00 15.00 H new ATOM 0 HB2 PRO B 205 4.141 2.158 2.919 1.00 15.00 H new ATOM 0 HB3 PRO B 205 4.704 0.542 3.294 1.00 15.00 H new ATOM 0 HG2 PRO B 205 2.497 2.126 4.589 1.00 15.00 H new ATOM 0 HG3 PRO B 205 2.525 0.429 4.152 1.00 15.00 H new ATOM 0 HD2 PRO B 205 2.910 1.156 6.700 1.00 15.00 H new ATOM 0 HD3 PRO B 205 3.835 -0.171 6.025 1.00 15.00 H new ATOM 715 N ASN B 206 6.745 4.076 4.443 1.00 15.00 N ATOM 716 CA ASN B 206 7.011 5.452 4.008 1.00 15.00 C ATOM 717 C ASN B 206 7.961 5.452 2.806 1.00 15.00 C ATOM 718 O ASN B 206 8.130 6.461 2.132 1.00 15.00 O ATOM 719 CB ASN B 206 7.577 6.292 5.160 1.00 15.00 C ATOM 720 CG ASN B 206 7.442 7.811 4.992 1.00 15.00 C ATOM 721 OD1 ASN B 206 7.382 8.538 5.983 1.00 15.00 O ATOM 722 ND2 ASN B 206 7.389 8.309 3.765 1.00 15.00 N ATOM 0 H ASN B 206 7.576 3.557 4.726 1.00 15.00 H new ATOM 0 HA ASN B 206 6.069 5.907 3.701 1.00 15.00 H new ATOM 0 HB2 ASN B 206 7.075 5.999 6.082 1.00 15.00 H new ATOM 0 HB3 ASN B 206 8.633 6.049 5.281 1.00 15.00 H new ATOM 0 HD21 ASN B 206 7.297 9.315 3.627 1.00 15.00 H new ATOM 0 HD22 ASN B 206 7.441 7.686 2.959 1.00 15.00 H new ATOM 729 N LEU B 207 8.610 4.325 2.558 1.00 15.00 N ATOM 730 CA LEU B 207 9.529 4.219 1.430 1.00 15.00 C ATOM 731 C LEU B 207 8.767 4.280 0.106 1.00 15.00 C ATOM 732 O LEU B 207 8.049 3.344 -0.257 1.00 15.00 O ATOM 733 CB LEU B 207 10.381 2.939 1.508 1.00 15.00 C ATOM 734 CG LEU B 207 9.619 1.605 1.552 1.00 15.00 C ATOM 735 CD1 LEU B 207 10.532 0.463 1.132 1.00 15.00 C ATOM 736 CD2 LEU B 207 9.063 1.338 2.945 1.00 15.00 C ATOM 0 H LEU B 207 8.520 3.476 3.116 1.00 15.00 H new ATOM 0 HA LEU B 207 10.209 5.069 1.480 1.00 15.00 H new ATOM 0 HB2 LEU B 207 11.049 2.921 0.647 1.00 15.00 H new ATOM 0 HB3 LEU B 207 11.009 3.002 2.397 1.00 15.00 H new ATOM 0 HG LEU B 207 8.783 1.671 0.855 1.00 15.00 H new ATOM 0 HD11 LEU B 207 9.980 -0.476 1.168 1.00 15.00 H new ATOM 0 HD12 LEU B 207 10.888 0.636 0.116 1.00 15.00 H new ATOM 0 HD13 LEU B 207 11.383 0.409 1.811 1.00 15.00 H new ATOM 0 HD21 LEU B 207 8.529 0.388 2.948 1.00 15.00 H new ATOM 0 HD22 LEU B 207 9.883 1.295 3.662 1.00 15.00 H new ATOM 0 HD23 LEU B 207 8.379 2.140 3.224 1.00 15.00 H new