USER MOD reduce.3.24.130724 H: found=0, std=0, add=301, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 303 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 498 HIS : no HD1:sc= -5.59! C(o=-5.2!,f=-13!) USER MOD Set 1.2: B 931 TYR OH : rot 82:sc= 0.421 USER MOD Set 2.1: A 500 THR OG1 : rot -102:sc= 1.41 USER MOD Set 2.2: A 502 THR OG1 : rot 90:sc= 0.964 USER MOD Single : A 485 MET CE :methyl -140:sc= -0.388 (180deg=-1.46!) USER MOD Single : A 490 ASN : amide:sc= -1.83! C(o=-1.8!,f=-9.3!) USER MOD Single : A 499 ASN : amide:sc= -1.25 X(o=-1.3,f=-1.7!) USER MOD Single : A 501 LYS NZ :NH3+ -165:sc=-0.00483 (180deg=-0.0719) USER MOD Single : A 503 THR OG1 : rot 180:sc= -0.0982 USER MOD Single : A 504 THR OG1 : rot 180:sc= 0.336 USER MOD Single : B 933 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 21 N LEU A 479 -9.100 7.793 -0.222 1.00 15.00 N ATOM 22 CA LEU A 479 -8.741 7.243 1.076 1.00 15.00 C ATOM 23 C LEU A 479 -7.776 8.203 1.777 1.00 15.00 C ATOM 24 O LEU A 479 -7.205 9.075 1.116 1.00 15.00 O ATOM 25 CB LEU A 479 -8.135 5.831 0.926 1.00 15.00 C ATOM 26 CG LEU A 479 -6.705 5.731 0.373 1.00 15.00 C ATOM 27 CD1 LEU A 479 -6.216 4.293 0.461 1.00 15.00 C ATOM 28 CD2 LEU A 479 -6.624 6.206 -1.069 1.00 15.00 C ATOM 0 HA LEU A 479 -9.636 7.139 1.689 1.00 15.00 H new ATOM 0 HB2 LEU A 479 -8.152 5.351 1.905 1.00 15.00 H new ATOM 0 HB3 LEU A 479 -8.789 5.251 0.275 1.00 15.00 H new ATOM 0 HG LEU A 479 -6.071 6.379 0.978 1.00 15.00 H new ATOM 0 HD11 LEU A 479 -5.202 4.229 0.067 1.00 15.00 H new ATOM 0 HD12 LEU A 479 -6.222 3.970 1.502 1.00 15.00 H new ATOM 0 HD13 LEU A 479 -6.873 3.649 -0.123 1.00 15.00 H new ATOM 0 HD21 LEU A 479 -5.597 6.120 -1.423 1.00 15.00 H new ATOM 0 HD22 LEU A 479 -7.275 5.592 -1.691 1.00 15.00 H new ATOM 0 HD23 LEU A 479 -6.942 7.247 -1.128 1.00 15.00 H new ATOM 40 N PRO A 480 -7.626 8.087 3.117 1.00 15.00 N ATOM 41 CA PRO A 480 -6.739 8.944 3.924 1.00 15.00 C ATOM 42 C PRO A 480 -5.434 9.318 3.212 1.00 15.00 C ATOM 43 O PRO A 480 -4.801 8.475 2.585 1.00 15.00 O ATOM 44 CB PRO A 480 -6.457 8.058 5.131 1.00 15.00 C ATOM 45 CG PRO A 480 -7.722 7.298 5.335 1.00 15.00 C ATOM 46 CD PRO A 480 -8.324 7.098 3.966 1.00 15.00 C ATOM 0 HA PRO A 480 -7.194 9.907 4.154 1.00 15.00 H new ATOM 0 HB2 PRO A 480 -5.617 7.389 4.945 1.00 15.00 H new ATOM 0 HB3 PRO A 480 -6.204 8.652 6.009 1.00 15.00 H new ATOM 0 HG2 PRO A 480 -7.526 6.340 5.817 1.00 15.00 H new ATOM 0 HG3 PRO A 480 -8.405 7.847 5.983 1.00 15.00 H new ATOM 0 HD2 PRO A 480 -8.166 6.081 3.606 1.00 15.00 H new ATOM 0 HD3 PRO A 480 -9.400 7.269 3.975 1.00 15.00 H new ATOM 54 N PRO A 481 -5.002 10.586 3.341 1.00 15.00 N ATOM 55 CA PRO A 481 -3.849 11.127 2.595 1.00 15.00 C ATOM 56 C PRO A 481 -2.516 10.448 2.927 1.00 15.00 C ATOM 57 O PRO A 481 -1.505 10.701 2.270 1.00 15.00 O ATOM 58 CB PRO A 481 -3.810 12.603 3.007 1.00 15.00 C ATOM 59 CG PRO A 481 -4.536 12.654 4.308 1.00 15.00 C ATOM 60 CD PRO A 481 -5.603 11.601 4.223 1.00 15.00 C ATOM 0 HA PRO A 481 -3.972 10.961 1.525 1.00 15.00 H new ATOM 0 HB2 PRO A 481 -2.785 12.958 3.112 1.00 15.00 H new ATOM 0 HB3 PRO A 481 -4.291 13.235 2.260 1.00 15.00 H new ATOM 0 HG2 PRO A 481 -3.860 12.459 5.141 1.00 15.00 H new ATOM 0 HG3 PRO A 481 -4.971 13.639 4.474 1.00 15.00 H new ATOM 0 HD2 PRO A 481 -5.844 11.191 5.204 1.00 15.00 H new ATOM 0 HD3 PRO A 481 -6.529 11.998 3.808 1.00 15.00 H new ATOM 68 N GLY A 482 -2.500 9.617 3.959 1.00 15.00 N ATOM 69 CA GLY A 482 -1.305 8.857 4.269 1.00 15.00 C ATOM 70 C GLY A 482 -1.414 7.430 3.801 1.00 15.00 C ATOM 71 O GLY A 482 -0.432 6.694 3.802 1.00 15.00 O ATOM 0 H GLY A 482 -3.289 9.455 4.585 1.00 15.00 H new ATOM 0 HA2 GLY A 482 -0.442 9.329 3.799 1.00 15.00 H new ATOM 0 HA3 GLY A 482 -1.132 8.875 5.345 1.00 15.00 H new ATOM 75 N TRP A 483 -2.616 7.042 3.404 1.00 15.00 N ATOM 76 CA TRP A 483 -2.862 5.708 2.894 1.00 15.00 C ATOM 77 C TRP A 483 -2.701 5.694 1.389 1.00 15.00 C ATOM 78 O TRP A 483 -3.521 6.243 0.655 1.00 15.00 O ATOM 79 CB TRP A 483 -4.258 5.222 3.282 1.00 15.00 C ATOM 80 CG TRP A 483 -4.338 4.690 4.676 1.00 15.00 C ATOM 81 CD1 TRP A 483 -4.357 5.412 5.834 1.00 15.00 C ATOM 82 CD2 TRP A 483 -4.413 3.314 5.054 1.00 15.00 C ATOM 83 NE1 TRP A 483 -4.435 4.565 6.914 1.00 15.00 N ATOM 84 CE2 TRP A 483 -4.471 3.270 6.460 1.00 15.00 C ATOM 85 CE3 TRP A 483 -4.432 2.111 4.338 1.00 15.00 C ATOM 86 CZ2 TRP A 483 -4.553 2.072 7.162 1.00 15.00 C ATOM 87 CZ3 TRP A 483 -4.511 0.924 5.038 1.00 15.00 C ATOM 88 CH2 TRP A 483 -4.572 0.911 6.438 1.00 15.00 C ATOM 0 H TRP A 483 -3.442 7.641 3.427 1.00 15.00 H new ATOM 0 HA TRP A 483 -2.133 5.030 3.338 1.00 15.00 H new ATOM 0 HB2 TRP A 483 -4.964 6.046 3.175 1.00 15.00 H new ATOM 0 HB3 TRP A 483 -4.569 4.443 2.586 1.00 15.00 H new ATOM 0 HD1 TRP A 483 -4.317 6.490 5.893 1.00 15.00 H new ATOM 0 HE1 TRP A 483 -4.462 4.852 7.892 1.00 15.00 H new ATOM 0 HE3 TRP A 483 -4.386 2.112 3.259 1.00 15.00 H new ATOM 0 HZ2 TRP A 483 -4.600 2.059 8.241 1.00 15.00 H new ATOM 0 HZ3 TRP A 483 -4.526 -0.011 4.497 1.00 15.00 H new ATOM 0 HH2 TRP A 483 -4.635 -0.035 6.956 1.00 15.00 H new ATOM 99 N GLU A 484 -1.624 5.096 0.940 1.00 15.00 N ATOM 100 CA GLU A 484 -1.335 5.035 -0.470 1.00 15.00 C ATOM 101 C GLU A 484 -1.678 3.707 -1.054 1.00 15.00 C ATOM 102 O GLU A 484 -1.611 2.664 -0.410 1.00 15.00 O ATOM 103 CB GLU A 484 0.101 5.344 -0.786 1.00 15.00 C ATOM 104 CG GLU A 484 1.097 4.499 -0.035 1.00 15.00 C ATOM 105 CD GLU A 484 2.512 4.863 -0.384 1.00 15.00 C ATOM 106 OE1 GLU A 484 2.697 5.895 -1.053 1.00 15.00 O1- ATOM 107 OE2 GLU A 484 3.445 4.169 0.052 1.00 15.00 O ATOM 0 H GLU A 484 -0.931 4.643 1.535 1.00 15.00 H new ATOM 0 HA GLU A 484 -1.963 5.804 -0.920 1.00 15.00 H new ATOM 0 HB2 GLU A 484 0.262 5.210 -1.856 1.00 15.00 H new ATOM 0 HB3 GLU A 484 0.292 6.394 -0.564 1.00 15.00 H new ATOM 0 HG2 GLU A 484 0.944 4.623 1.037 1.00 15.00 H new ATOM 0 HG3 GLU A 484 0.926 3.447 -0.262 1.00 15.00 H new ATOM 114 N MET A 485 -2.008 3.785 -2.298 1.00 15.00 N ATOM 115 CA MET A 485 -2.499 2.638 -3.040 1.00 15.00 C ATOM 116 C MET A 485 -1.729 2.495 -4.347 1.00 15.00 C ATOM 117 O MET A 485 -1.850 3.328 -5.244 1.00 15.00 O ATOM 118 CB MET A 485 -4.006 2.791 -3.297 1.00 15.00 C ATOM 119 CG MET A 485 -4.686 1.548 -3.859 1.00 15.00 C ATOM 120 SD MET A 485 -4.426 1.328 -5.630 1.00 15.00 S ATOM 121 CE MET A 485 -5.132 2.852 -6.259 1.00 15.00 C ATOM 0 H MET A 485 -1.950 4.643 -2.846 1.00 15.00 H new ATOM 0 HA MET A 485 -2.343 1.732 -2.455 1.00 15.00 H new ATOM 0 HB2 MET A 485 -4.494 3.064 -2.362 1.00 15.00 H new ATOM 0 HB3 MET A 485 -4.160 3.618 -3.990 1.00 15.00 H new ATOM 0 HG2 MET A 485 -4.313 0.669 -3.333 1.00 15.00 H new ATOM 0 HG3 MET A 485 -5.756 1.608 -3.661 1.00 15.00 H new ATOM 0 HE1 MET A 485 -5.691 2.645 -7.171 1.00 15.00 H new ATOM 0 HE2 MET A 485 -5.801 3.278 -5.512 1.00 15.00 H new ATOM 0 HE3 MET A 485 -4.333 3.561 -6.477 1.00 15.00 H new ATOM 131 N ARG A 486 -0.903 1.460 -4.423 1.00 15.00 N ATOM 132 CA ARG A 486 -0.104 1.190 -5.614 1.00 15.00 C ATOM 133 C ARG A 486 -0.157 -0.297 -5.936 1.00 15.00 C ATOM 134 O ARG A 486 -0.210 -1.132 -5.031 1.00 15.00 O ATOM 135 CB ARG A 486 1.348 1.636 -5.407 1.00 15.00 C ATOM 136 CG ARG A 486 1.502 3.129 -5.153 1.00 15.00 C ATOM 137 CD ARG A 486 1.102 3.962 -6.363 1.00 15.00 C ATOM 138 NE ARG A 486 2.056 3.833 -7.467 1.00 15.00 N ATOM 139 CZ ARG A 486 1.727 3.920 -8.754 1.00 15.00 C ATOM 140 NH1 ARG A 486 0.471 4.155 -9.114 1.00 15.00 N1+ ATOM 141 NH2 ARG A 486 2.668 3.805 -9.680 1.00 15.00 N ATOM 0 H ARG A 486 -0.767 0.788 -3.668 1.00 15.00 H new ATOM 0 HA ARG A 486 -0.516 1.756 -6.450 1.00 15.00 H new ATOM 0 HB2 ARG A 486 1.770 1.088 -4.564 1.00 15.00 H new ATOM 0 HB3 ARG A 486 1.931 1.365 -6.287 1.00 15.00 H new ATOM 0 HG2 ARG A 486 0.889 3.416 -4.298 1.00 15.00 H new ATOM 0 HG3 ARG A 486 2.537 3.346 -4.890 1.00 15.00 H new ATOM 0 HD2 ARG A 486 0.113 3.654 -6.702 1.00 15.00 H new ATOM 0 HD3 ARG A 486 1.027 5.010 -6.071 1.00 15.00 H new ATOM 0 HE ARG A 486 3.035 3.666 -7.235 1.00 15.00 H new ATOM 0 HH11 ARG A 486 -0.250 4.270 -8.402 1.00 15.00 H new ATOM 0 HH12 ARG A 486 0.227 4.220 -10.102 1.00 15.00 H new ATOM 0 HH21 ARG A 486 3.638 3.651 -9.405 1.00 15.00 H new ATOM 0 HH22 ARG A 486 2.422 3.871 -10.668 1.00 15.00 H new ATOM 155 N ILE A 487 -0.123 -0.626 -7.215 1.00 15.00 N ATOM 156 CA ILE A 487 -0.306 -2.002 -7.649 1.00 15.00 C ATOM 157 C ILE A 487 1.003 -2.656 -8.089 1.00 15.00 C ATOM 158 O ILE A 487 1.923 -1.990 -8.565 1.00 15.00 O ATOM 159 CB ILE A 487 -1.328 -2.103 -8.796 1.00 15.00 C ATOM 160 CG1 ILE A 487 -0.912 -1.208 -9.964 1.00 15.00 C ATOM 161 CG2 ILE A 487 -2.718 -1.733 -8.302 1.00 15.00 C ATOM 162 CD1 ILE A 487 -1.833 -1.302 -11.157 1.00 15.00 C ATOM 0 H ILE A 487 0.030 0.040 -7.972 1.00 15.00 H new ATOM 0 HA ILE A 487 -0.684 -2.538 -6.778 1.00 15.00 H new ATOM 0 HB ILE A 487 -1.353 -3.134 -9.149 1.00 15.00 H new ATOM 0 HG12 ILE A 487 -0.877 -0.173 -9.623 1.00 15.00 H new ATOM 0 HG13 ILE A 487 0.098 -1.476 -10.274 1.00 15.00 H new ATOM 0 HG21 ILE A 487 -3.429 -1.809 -9.125 1.00 15.00 H new ATOM 0 HG22 ILE A 487 -3.013 -2.413 -7.503 1.00 15.00 H new ATOM 0 HG23 ILE A 487 -2.710 -0.711 -7.924 1.00 15.00 H new ATOM 0 HD11 ILE A 487 -1.475 -0.640 -11.946 1.00 15.00 H new ATOM 0 HD12 ILE A 487 -1.849 -2.328 -11.524 1.00 15.00 H new ATOM 0 HD13 ILE A 487 -2.840 -1.006 -10.863 1.00 15.00 H new ATOM 174 N ALA A 488 1.065 -3.965 -7.904 1.00 15.00 N ATOM 175 CA ALA A 488 2.173 -4.773 -8.383 1.00 15.00 C ATOM 176 C ALA A 488 1.863 -5.260 -9.797 1.00 15.00 C ATOM 177 O ALA A 488 0.695 -5.423 -10.142 1.00 15.00 O ATOM 178 CB ALA A 488 2.417 -5.947 -7.441 1.00 15.00 C ATOM 0 H ALA A 488 0.345 -4.498 -7.416 1.00 15.00 H new ATOM 0 HA ALA A 488 3.082 -4.172 -8.407 1.00 15.00 H new ATOM 0 HB1 ALA A 488 3.250 -6.544 -7.812 1.00 15.00 H new ATOM 0 HB2 ALA A 488 2.655 -5.572 -6.446 1.00 15.00 H new ATOM 0 HB3 ALA A 488 1.521 -6.566 -7.391 1.00 15.00 H new ATOM 184 N PRO A 489 2.897 -5.475 -10.638 1.00 15.00 N ATOM 185 CA PRO A 489 2.729 -5.812 -12.071 1.00 15.00 C ATOM 186 C PRO A 489 1.917 -7.088 -12.338 1.00 15.00 C ATOM 187 O PRO A 489 1.665 -7.443 -13.492 1.00 15.00 O ATOM 188 CB PRO A 489 4.165 -5.999 -12.569 1.00 15.00 C ATOM 189 CG PRO A 489 5.014 -5.262 -11.591 1.00 15.00 C ATOM 190 CD PRO A 489 4.322 -5.394 -10.265 1.00 15.00 C ATOM 0 HA PRO A 489 2.165 -5.028 -12.577 1.00 15.00 H new ATOM 0 HB2 PRO A 489 4.434 -7.054 -12.608 1.00 15.00 H new ATOM 0 HB3 PRO A 489 4.288 -5.601 -13.576 1.00 15.00 H new ATOM 0 HG2 PRO A 489 6.019 -5.683 -11.551 1.00 15.00 H new ATOM 0 HG3 PRO A 489 5.118 -4.215 -11.875 1.00 15.00 H new ATOM 0 HD2 PRO A 489 4.649 -6.283 -9.726 1.00 15.00 H new ATOM 0 HD3 PRO A 489 4.522 -4.539 -9.619 1.00 15.00 H new ATOM 198 N ASN A 490 1.530 -7.787 -11.285 1.00 15.00 N ATOM 199 CA ASN A 490 0.684 -8.968 -11.418 1.00 15.00 C ATOM 200 C ASN A 490 -0.741 -8.659 -10.957 1.00 15.00 C ATOM 201 O ASN A 490 -1.585 -9.553 -10.859 1.00 15.00 O ATOM 202 CB ASN A 490 1.272 -10.159 -10.641 1.00 15.00 C ATOM 203 CG ASN A 490 1.530 -9.866 -9.176 1.00 15.00 C ATOM 204 OD1 ASN A 490 1.805 -8.729 -8.792 1.00 15.00 O ATOM 205 ND2 ASN A 490 1.449 -10.892 -8.345 1.00 15.00 N ATOM 0 H ASN A 490 1.787 -7.559 -10.325 1.00 15.00 H new ATOM 0 HA ASN A 490 0.649 -9.247 -12.471 1.00 15.00 H new ATOM 0 HB2 ASN A 490 0.588 -11.004 -10.718 1.00 15.00 H new ATOM 0 HB3 ASN A 490 2.207 -10.462 -11.112 1.00 15.00 H new ATOM 0 HD21 ASN A 490 1.617 -10.755 -7.348 1.00 15.00 H new ATOM 0 HD22 ASN A 490 1.219 -11.820 -8.701 1.00 15.00 H new ATOM 212 N GLY A 491 -1.006 -7.380 -10.707 1.00 15.00 N ATOM 213 CA GLY A 491 -2.351 -6.939 -10.390 1.00 15.00 C ATOM 214 C GLY A 491 -2.647 -6.940 -8.905 1.00 15.00 C ATOM 215 O GLY A 491 -3.762 -7.252 -8.493 1.00 15.00 O ATOM 0 H GLY A 491 -0.307 -6.637 -10.719 1.00 15.00 H new ATOM 0 HA2 GLY A 491 -2.498 -5.933 -10.782 1.00 15.00 H new ATOM 0 HA3 GLY A 491 -3.067 -7.586 -10.897 1.00 15.00 H new ATOM 219 N ARG A 492 -1.657 -6.598 -8.087 1.00 15.00 N ATOM 220 CA ARG A 492 -1.841 -6.623 -6.640 1.00 15.00 C ATOM 221 C ARG A 492 -1.752 -5.217 -6.056 1.00 15.00 C ATOM 222 O ARG A 492 -0.696 -4.602 -6.102 1.00 15.00 O ATOM 223 CB ARG A 492 -0.786 -7.503 -5.961 1.00 15.00 C ATOM 224 CG ARG A 492 -0.516 -8.839 -6.639 1.00 15.00 C ATOM 225 CD ARG A 492 -1.790 -9.593 -7.011 1.00 15.00 C ATOM 226 NE ARG A 492 -2.855 -9.441 -6.019 1.00 15.00 N ATOM 227 CZ ARG A 492 -3.576 -10.452 -5.530 1.00 15.00 C ATOM 228 NH1 ARG A 492 -3.258 -11.708 -5.820 1.00 15.00 N1+ ATOM 229 NH2 ARG A 492 -4.608 -10.209 -4.733 1.00 15.00 N ATOM 0 H ARG A 492 -0.730 -6.304 -8.396 1.00 15.00 H new ATOM 0 HA ARG A 492 -2.832 -7.037 -6.452 1.00 15.00 H new ATOM 0 HB2 ARG A 492 0.149 -6.945 -5.909 1.00 15.00 H new ATOM 0 HB3 ARG A 492 -1.101 -7.693 -4.935 1.00 15.00 H new ATOM 0 HG2 ARG A 492 0.074 -8.669 -7.540 1.00 15.00 H new ATOM 0 HG3 ARG A 492 0.086 -9.461 -5.976 1.00 15.00 H new ATOM 0 HD2 ARG A 492 -2.147 -9.237 -7.977 1.00 15.00 H new ATOM 0 HD3 ARG A 492 -1.558 -10.652 -7.128 1.00 15.00 H new ATOM 0 HE ARG A 492 -3.060 -8.501 -5.679 1.00 15.00 H new ATOM 0 HH11 ARG A 492 -2.458 -11.906 -6.420 1.00 15.00 H new ATOM 0 HH12 ARG A 492 -3.814 -12.475 -5.442 1.00 15.00 H new ATOM 0 HH21 ARG A 492 -4.852 -9.248 -4.493 1.00 15.00 H new ATOM 0 HH22 ARG A 492 -5.158 -10.983 -4.360 1.00 15.00 H new ATOM 243 N PRO A 493 -2.846 -4.690 -5.500 1.00 15.00 N ATOM 244 CA PRO A 493 -2.848 -3.373 -4.880 1.00 15.00 C ATOM 245 C PRO A 493 -2.497 -3.424 -3.393 1.00 15.00 C ATOM 246 O PRO A 493 -3.182 -4.083 -2.609 1.00 15.00 O ATOM 247 CB PRO A 493 -4.291 -2.911 -5.076 1.00 15.00 C ATOM 248 CG PRO A 493 -5.112 -4.164 -5.149 1.00 15.00 C ATOM 249 CD PRO A 493 -4.175 -5.314 -5.445 1.00 15.00 C ATOM 0 HA PRO A 493 -2.103 -2.709 -5.317 1.00 15.00 H new ATOM 0 HB2 PRO A 493 -4.615 -2.278 -4.250 1.00 15.00 H new ATOM 0 HB3 PRO A 493 -4.393 -2.322 -5.988 1.00 15.00 H new ATOM 0 HG2 PRO A 493 -5.638 -4.332 -4.209 1.00 15.00 H new ATOM 0 HG3 PRO A 493 -5.870 -4.079 -5.927 1.00 15.00 H new ATOM 0 HD2 PRO A 493 -4.225 -6.078 -4.669 1.00 15.00 H new ATOM 0 HD3 PRO A 493 -4.426 -5.800 -6.388 1.00 15.00 H new ATOM 257 N PHE A 494 -1.418 -2.752 -3.012 1.00 15.00 N ATOM 258 CA PHE A 494 -1.043 -2.673 -1.608 1.00 15.00 C ATOM 259 C PHE A 494 -1.283 -1.272 -1.065 1.00 15.00 C ATOM 260 O PHE A 494 -1.073 -0.275 -1.762 1.00 15.00 O ATOM 261 CB PHE A 494 0.418 -3.108 -1.377 1.00 15.00 C ATOM 262 CG PHE A 494 1.463 -2.395 -2.207 1.00 15.00 C ATOM 263 CD1 PHE A 494 1.831 -1.083 -1.933 1.00 15.00 C ATOM 264 CD2 PHE A 494 2.090 -3.055 -3.249 1.00 15.00 C ATOM 265 CE1 PHE A 494 2.801 -0.444 -2.690 1.00 15.00 C ATOM 266 CE2 PHE A 494 3.059 -2.426 -4.006 1.00 15.00 C ATOM 267 CZ PHE A 494 3.415 -1.120 -3.727 1.00 15.00 C ATOM 0 H PHE A 494 -0.793 -2.258 -3.649 1.00 15.00 H new ATOM 0 HA PHE A 494 -1.678 -3.370 -1.061 1.00 15.00 H new ATOM 0 HB2 PHE A 494 0.657 -2.961 -0.324 1.00 15.00 H new ATOM 0 HB3 PHE A 494 0.493 -4.177 -1.575 1.00 15.00 H new ATOM 0 HD1 PHE A 494 1.355 -0.555 -1.120 1.00 15.00 H new ATOM 0 HD2 PHE A 494 1.818 -4.076 -3.473 1.00 15.00 H new ATOM 0 HE1 PHE A 494 3.075 0.577 -2.470 1.00 15.00 H new ATOM 0 HE2 PHE A 494 3.539 -2.955 -4.816 1.00 15.00 H new ATOM 0 HZ PHE A 494 4.173 -0.628 -4.319 1.00 15.00 H new ATOM 277 N PHE A 495 -1.732 -1.208 0.177 1.00 15.00 N ATOM 278 CA PHE A 495 -1.961 0.060 0.841 1.00 15.00 C ATOM 279 C PHE A 495 -0.835 0.330 1.829 1.00 15.00 C ATOM 280 O PHE A 495 -0.594 -0.464 2.738 1.00 15.00 O ATOM 281 CB PHE A 495 -3.307 0.062 1.577 1.00 15.00 C ATOM 282 CG PHE A 495 -4.470 -0.395 0.741 1.00 15.00 C ATOM 283 CD1 PHE A 495 -5.090 0.475 -0.140 1.00 15.00 C ATOM 284 CD2 PHE A 495 -4.945 -1.693 0.843 1.00 15.00 C ATOM 285 CE1 PHE A 495 -6.163 0.059 -0.906 1.00 15.00 C ATOM 286 CE2 PHE A 495 -6.017 -2.116 0.080 1.00 15.00 C ATOM 287 CZ PHE A 495 -6.628 -1.238 -0.795 1.00 15.00 C ATOM 0 H PHE A 495 -1.946 -2.026 0.747 1.00 15.00 H new ATOM 0 HA PHE A 495 -1.984 0.845 0.085 1.00 15.00 H new ATOM 0 HB2 PHE A 495 -3.230 -0.581 2.453 1.00 15.00 H new ATOM 0 HB3 PHE A 495 -3.509 1.070 1.939 1.00 15.00 H new ATOM 0 HD1 PHE A 495 -4.731 1.490 -0.230 1.00 15.00 H new ATOM 0 HD2 PHE A 495 -4.472 -2.382 1.527 1.00 15.00 H new ATOM 0 HE1 PHE A 495 -6.637 0.747 -1.590 1.00 15.00 H new ATOM 0 HE2 PHE A 495 -6.376 -3.131 0.167 1.00 15.00 H new ATOM 0 HZ PHE A 495 -7.467 -1.565 -1.391 1.00 15.00 H new ATOM 297 N ILE A 496 -0.133 1.434 1.638 1.00 15.00 N ATOM 298 CA ILE A 496 0.916 1.829 2.563 1.00 15.00 C ATOM 299 C ILE A 496 0.486 3.053 3.338 1.00 15.00 C ATOM 300 O ILE A 496 0.254 4.114 2.765 1.00 15.00 O ATOM 301 CB ILE A 496 2.259 2.123 1.858 1.00 15.00 C ATOM 302 CG1 ILE A 496 2.616 1.004 0.871 1.00 15.00 C ATOM 303 CG2 ILE A 496 3.364 2.308 2.891 1.00 15.00 C ATOM 304 CD1 ILE A 496 4.033 1.066 0.355 1.00 15.00 C ATOM 0 H ILE A 496 -0.270 2.071 0.853 1.00 15.00 H new ATOM 0 HA ILE A 496 1.075 0.985 3.235 1.00 15.00 H new ATOM 0 HB ILE A 496 2.156 3.047 1.290 1.00 15.00 H new ATOM 0 HG12 ILE A 496 2.460 0.041 1.358 1.00 15.00 H new ATOM 0 HG13 ILE A 496 1.930 1.048 0.025 1.00 15.00 H new ATOM 0 HG21 ILE A 496 4.306 2.515 2.383 1.00 15.00 H new ATOM 0 HG22 ILE A 496 3.114 3.143 3.546 1.00 15.00 H new ATOM 0 HG23 ILE A 496 3.463 1.399 3.484 1.00 15.00 H new ATOM 0 HD11 ILE A 496 4.205 0.241 -0.336 1.00 15.00 H new ATOM 0 HD12 ILE A 496 4.191 2.012 -0.163 1.00 15.00 H new ATOM 0 HD13 ILE A 496 4.728 0.990 1.191 1.00 15.00 H new ATOM 316 N ASP A 497 0.358 2.914 4.641 1.00 15.00 N ATOM 317 CA ASP A 497 0.070 4.063 5.463 1.00 15.00 C ATOM 318 C ASP A 497 1.385 4.677 5.888 1.00 15.00 C ATOM 319 O ASP A 497 2.235 4.033 6.506 1.00 15.00 O ATOM 320 CB ASP A 497 -0.805 3.714 6.668 1.00 15.00 C ATOM 321 CG ASP A 497 -0.093 2.893 7.719 1.00 15.00 C ATOM 322 OD1 ASP A 497 0.046 1.669 7.534 1.00 15.00 O ATOM 323 OD2 ASP A 497 0.320 3.473 8.744 1.00 15.00 O1- ATOM 0 H ASP A 497 0.448 2.031 5.144 1.00 15.00 H new ATOM 0 HA ASP A 497 -0.508 4.783 4.883 1.00 15.00 H new ATOM 0 HB2 ASP A 497 -1.166 4.636 7.123 1.00 15.00 H new ATOM 0 HB3 ASP A 497 -1.681 3.165 6.323 1.00 15.00 H new ATOM 328 N HIS A 498 1.559 5.924 5.519 1.00 15.00 N ATOM 329 CA HIS A 498 2.843 6.584 5.652 1.00 15.00 C ATOM 330 C HIS A 498 3.162 6.950 7.092 1.00 15.00 C ATOM 331 O HIS A 498 4.287 7.353 7.396 1.00 15.00 O ATOM 332 CB HIS A 498 2.890 7.821 4.763 1.00 15.00 C ATOM 333 CG HIS A 498 3.175 7.516 3.323 1.00 15.00 C ATOM 334 ND1 HIS A 498 4.428 7.683 2.768 1.00 15.00 N ATOM 335 CD2 HIS A 498 2.376 7.072 2.311 1.00 15.00 C ATOM 336 CE1 HIS A 498 4.386 7.364 1.492 1.00 15.00 C ATOM 337 NE2 HIS A 498 3.165 7.005 1.197 1.00 15.00 N ATOM 0 H HIS A 498 0.824 6.508 5.121 1.00 15.00 H new ATOM 0 HA HIS A 498 3.607 5.877 5.329 1.00 15.00 H new ATOM 0 HB2 HIS A 498 1.937 8.345 4.833 1.00 15.00 H new ATOM 0 HB3 HIS A 498 3.655 8.500 5.140 1.00 15.00 H new ATOM 0 HD2 HIS A 498 1.327 6.823 2.377 1.00 15.00 H new ATOM 0 HE1 HIS A 498 5.219 7.394 0.805 1.00 15.00 H new ATOM 0 HE2 HIS A 498 2.847 6.717 0.271 1.00 15.00 H new ATOM 346 N ASN A 499 2.189 6.816 7.979 1.00 15.00 N ATOM 347 CA ASN A 499 2.413 7.142 9.375 1.00 15.00 C ATOM 348 C ASN A 499 3.181 6.025 10.084 1.00 15.00 C ATOM 349 O ASN A 499 4.168 6.299 10.764 1.00 15.00 O ATOM 350 CB ASN A 499 1.099 7.486 10.097 1.00 15.00 C ATOM 351 CG ASN A 499 0.043 6.404 9.995 1.00 15.00 C ATOM 352 OD1 ASN A 499 -0.044 5.526 10.853 1.00 15.00 O ATOM 353 ND2 ASN A 499 -0.777 6.462 8.951 1.00 15.00 N ATOM 0 H ASN A 499 1.248 6.488 7.760 1.00 15.00 H new ATOM 0 HA ASN A 499 3.033 8.038 9.411 1.00 15.00 H new ATOM 0 HB2 ASN A 499 1.312 7.674 11.149 1.00 15.00 H new ATOM 0 HB3 ASN A 499 0.699 8.411 9.682 1.00 15.00 H new ATOM 0 HD21 ASN A 499 -1.511 5.763 8.840 1.00 15.00 H new ATOM 0 HD22 ASN A 499 -0.672 7.206 8.261 1.00 15.00 H new ATOM 360 N THR A 500 2.741 4.775 9.952 1.00 15.00 N ATOM 361 CA THR A 500 3.537 3.659 10.457 1.00 15.00 C ATOM 362 C THR A 500 4.650 3.304 9.470 1.00 15.00 C ATOM 363 O THR A 500 5.668 2.722 9.852 1.00 15.00 O ATOM 364 CB THR A 500 2.693 2.400 10.741 1.00 15.00 C ATOM 365 OG1 THR A 500 2.164 1.872 9.522 1.00 15.00 O ATOM 366 CG2 THR A 500 1.556 2.712 11.703 1.00 15.00 C ATOM 0 H THR A 500 1.859 4.513 9.511 1.00 15.00 H new ATOM 0 HA THR A 500 3.964 3.993 11.403 1.00 15.00 H new ATOM 0 HB THR A 500 3.343 1.656 11.202 1.00 15.00 H new ATOM 0 HG1 THR A 500 1.220 2.122 9.440 1.00 15.00 H new ATOM 0 HG21 THR A 500 0.976 1.807 11.887 1.00 15.00 H new ATOM 0 HG22 THR A 500 1.966 3.078 12.644 1.00 15.00 H new ATOM 0 HG23 THR A 500 0.910 3.475 11.268 1.00 15.00 H new ATOM 374 N LYS A 501 4.429 3.659 8.198 1.00 15.00 N ATOM 375 CA LYS A 501 5.338 3.319 7.101 1.00 15.00 C ATOM 376 C LYS A 501 5.334 1.803 6.892 1.00 15.00 C ATOM 377 O LYS A 501 6.377 1.153 6.846 1.00 15.00 O ATOM 378 CB LYS A 501 6.758 3.869 7.352 1.00 15.00 C ATOM 379 CG LYS A 501 7.595 4.021 6.083 1.00 15.00 C ATOM 380 CD LYS A 501 8.525 2.837 5.852 1.00 15.00 C ATOM 381 CE LYS A 501 9.951 3.143 6.276 1.00 15.00 C ATOM 382 NZ LYS A 501 10.619 4.086 5.340 1.00 15.00 N1+ ATOM 0 H LYS A 501 3.611 4.192 7.902 1.00 15.00 H new ATOM 0 HA LYS A 501 4.987 3.794 6.185 1.00 15.00 H new ATOM 0 HB2 LYS A 501 6.680 4.839 7.843 1.00 15.00 H new ATOM 0 HB3 LYS A 501 7.278 3.204 8.041 1.00 15.00 H new ATOM 0 HG2 LYS A 501 6.932 4.130 5.225 1.00 15.00 H new ATOM 0 HG3 LYS A 501 8.185 4.935 6.148 1.00 15.00 H new ATOM 0 HD2 LYS A 501 8.159 1.974 6.408 1.00 15.00 H new ATOM 0 HD3 LYS A 501 8.511 2.565 4.796 1.00 15.00 H new ATOM 0 HE2 LYS A 501 9.948 3.569 7.279 1.00 15.00 H new ATOM 0 HE3 LYS A 501 10.522 2.216 6.325 1.00 15.00 H new ATOM 0 HZ1 LYS A 501 11.645 4.074 5.509 1.00 15.00 H new ATOM 0 HZ2 LYS A 501 10.426 3.797 4.360 1.00 15.00 H new ATOM 0 HZ3 LYS A 501 10.254 5.047 5.496 1.00 15.00 H new ATOM 396 N THR A 502 4.139 1.244 6.787 1.00 15.00 N ATOM 397 CA THR A 502 3.983 -0.191 6.617 1.00 15.00 C ATOM 398 C THR A 502 3.110 -0.499 5.405 1.00 15.00 C ATOM 399 O THR A 502 2.071 0.133 5.198 1.00 15.00 O ATOM 400 CB THR A 502 3.342 -0.831 7.861 1.00 15.00 C ATOM 401 OG1 THR A 502 3.860 -0.223 9.052 1.00 15.00 O ATOM 402 CG2 THR A 502 3.608 -2.332 7.897 1.00 15.00 C ATOM 0 H THR A 502 3.262 1.764 6.817 1.00 15.00 H new ATOM 0 HA THR A 502 4.979 -0.608 6.469 1.00 15.00 H new ATOM 0 HB THR A 502 2.266 -0.668 7.809 1.00 15.00 H new ATOM 0 HG1 THR A 502 3.305 0.548 9.294 1.00 15.00 H new ATOM 0 HG21 THR A 502 3.145 -2.762 8.785 1.00 15.00 H new ATOM 0 HG22 THR A 502 3.186 -2.798 7.006 1.00 15.00 H new ATOM 0 HG23 THR A 502 4.683 -2.510 7.925 1.00 15.00 H new ATOM 410 N THR A 503 3.542 -1.460 4.609 1.00 15.00 N ATOM 411 CA THR A 503 2.770 -1.917 3.466 1.00 15.00 C ATOM 412 C THR A 503 1.859 -3.056 3.901 1.00 15.00 C ATOM 413 O THR A 503 2.276 -3.927 4.662 1.00 15.00 O ATOM 414 CB THR A 503 3.696 -2.418 2.339 1.00 15.00 C ATOM 415 OG1 THR A 503 4.847 -1.569 2.240 1.00 15.00 O ATOM 416 CG2 THR A 503 2.967 -2.443 1.007 1.00 15.00 C ATOM 0 H THR A 503 4.431 -1.943 4.734 1.00 15.00 H new ATOM 0 HA THR A 503 2.182 -1.080 3.089 1.00 15.00 H new ATOM 0 HB THR A 503 4.009 -3.433 2.582 1.00 15.00 H new ATOM 0 HG1 THR A 503 5.432 -1.893 1.524 1.00 15.00 H new ATOM 0 HG21 THR A 503 3.642 -2.800 0.229 1.00 15.00 H new ATOM 0 HG22 THR A 503 2.107 -3.110 1.075 1.00 15.00 H new ATOM 0 HG23 THR A 503 2.627 -1.437 0.759 1.00 15.00 H new ATOM 424 N THR A 504 0.618 -3.045 3.450 1.00 15.00 N ATOM 425 CA THR A 504 -0.295 -4.122 3.782 1.00 15.00 C ATOM 426 C THR A 504 -1.154 -4.508 2.582 1.00 15.00 C ATOM 427 O THR A 504 -1.439 -3.681 1.712 1.00 15.00 O ATOM 428 CB THR A 504 -1.203 -3.752 4.977 1.00 15.00 C ATOM 429 OG1 THR A 504 -1.975 -4.892 5.377 1.00 15.00 O ATOM 430 CG2 THR A 504 -2.140 -2.600 4.632 1.00 15.00 C ATOM 0 H THR A 504 0.223 -2.312 2.860 1.00 15.00 H new ATOM 0 HA THR A 504 0.317 -4.978 4.067 1.00 15.00 H new ATOM 0 HB THR A 504 -0.559 -3.435 5.797 1.00 15.00 H new ATOM 0 HG1 THR A 504 -2.546 -4.650 6.136 1.00 15.00 H new ATOM 0 HG21 THR A 504 -2.763 -2.367 5.495 1.00 15.00 H new ATOM 0 HG22 THR A 504 -1.553 -1.722 4.361 1.00 15.00 H new ATOM 0 HG23 THR A 504 -2.774 -2.886 3.793 1.00 15.00 H new ATOM 438 N TRP A 505 -1.535 -5.776 2.537 1.00 15.00 N ATOM 439 CA TRP A 505 -2.440 -6.275 1.513 1.00 15.00 C ATOM 440 C TRP A 505 -3.863 -6.288 2.045 1.00 15.00 C ATOM 441 O TRP A 505 -4.811 -6.601 1.321 1.00 15.00 O ATOM 442 CB TRP A 505 -2.056 -7.695 1.084 1.00 15.00 C ATOM 443 CG TRP A 505 -0.713 -7.803 0.434 1.00 15.00 C ATOM 444 CD1 TRP A 505 0.392 -8.428 0.932 1.00 15.00 C ATOM 445 CD2 TRP A 505 -0.335 -7.273 -0.840 1.00 15.00 C ATOM 446 NE1 TRP A 505 1.430 -8.327 0.039 1.00 15.00 N ATOM 447 CE2 TRP A 505 1.010 -7.621 -1.054 1.00 15.00 C ATOM 448 CE3 TRP A 505 -1.006 -6.542 -1.822 1.00 15.00 C ATOM 449 CZ2 TRP A 505 1.699 -7.262 -2.209 1.00 15.00 C ATOM 450 CZ3 TRP A 505 -0.322 -6.186 -2.965 1.00 15.00 C ATOM 451 CH2 TRP A 505 1.018 -6.547 -3.151 1.00 15.00 C ATOM 0 H TRP A 505 -1.228 -6.484 3.204 1.00 15.00 H new ATOM 0 HA TRP A 505 -2.369 -5.614 0.649 1.00 15.00 H new ATOM 0 HB2 TRP A 505 -2.075 -8.344 1.960 1.00 15.00 H new ATOM 0 HB3 TRP A 505 -2.811 -8.069 0.393 1.00 15.00 H new ATOM 0 HD1 TRP A 505 0.443 -8.928 1.888 1.00 15.00 H new ATOM 0 HE1 TRP A 505 2.364 -8.716 0.170 1.00 15.00 H new ATOM 0 HE3 TRP A 505 -2.040 -6.261 -1.689 1.00 15.00 H new ATOM 0 HZ2 TRP A 505 2.733 -7.539 -2.354 1.00 15.00 H new ATOM 0 HZ3 TRP A 505 -0.829 -5.618 -3.731 1.00 15.00 H new ATOM 0 HH2 TRP A 505 1.523 -6.253 -4.059 1.00 15.00 H new ATOM 462 N GLU A 506 -4.008 -5.958 3.322 1.00 15.00 N ATOM 463 CA GLU A 506 -5.299 -6.049 3.979 1.00 15.00 C ATOM 464 C GLU A 506 -6.145 -4.838 3.694 1.00 15.00 C ATOM 465 O GLU A 506 -5.676 -3.701 3.710 1.00 15.00 O ATOM 466 CB GLU A 506 -5.139 -6.257 5.487 1.00 15.00 C ATOM 467 CG GLU A 506 -6.454 -6.560 6.194 1.00 15.00 C ATOM 468 CD GLU A 506 -7.178 -7.751 5.589 1.00 15.00 C ATOM 469 OE1 GLU A 506 -7.780 -7.599 4.503 1.00 15.00 O1- ATOM 470 OE2 GLU A 506 -7.143 -8.844 6.185 1.00 15.00 O ATOM 0 H GLU A 506 -3.250 -5.627 3.918 1.00 15.00 H new ATOM 0 HA GLU A 506 -5.813 -6.920 3.571 1.00 15.00 H new ATOM 0 HB2 GLU A 506 -4.442 -7.077 5.662 1.00 15.00 H new ATOM 0 HB3 GLU A 506 -4.696 -5.363 5.926 1.00 15.00 H new ATOM 0 HG2 GLU A 506 -6.259 -6.754 7.249 1.00 15.00 H new ATOM 0 HG3 GLU A 506 -7.100 -5.683 6.145 1.00 15.00 H new ATOM 477 N ASP A 507 -7.410 -5.116 3.464 1.00 15.00 N ATOM 478 CA ASP A 507 -8.353 -4.113 3.060 1.00 15.00 C ATOM 479 C ASP A 507 -9.014 -3.480 4.281 1.00 15.00 C ATOM 480 O ASP A 507 -9.791 -4.136 4.976 1.00 15.00 O ATOM 481 CB ASP A 507 -9.405 -4.739 2.140 1.00 15.00 C ATOM 482 CG ASP A 507 -10.518 -3.787 1.756 1.00 15.00 C ATOM 483 OD1 ASP A 507 -11.487 -3.654 2.532 1.00 15.00 O ATOM 484 OD2 ASP A 507 -10.449 -3.200 0.656 1.00 15.00 O1- ATOM 0 H ASP A 507 -7.809 -6.051 3.554 1.00 15.00 H new ATOM 0 HA ASP A 507 -7.829 -3.328 2.515 1.00 15.00 H new ATOM 0 HB2 ASP A 507 -8.916 -5.098 1.234 1.00 15.00 H new ATOM 0 HB3 ASP A 507 -9.837 -5.609 2.635 1.00 15.00 H new ATOM 585 N LEU B 928 4.289 -10.010 1.676 1.00 15.00 N ATOM 586 CA LEU B 928 4.425 -8.563 1.753 1.00 15.00 C ATOM 587 C LEU B 928 5.881 -8.168 1.517 1.00 15.00 C ATOM 588 O LEU B 928 6.770 -8.576 2.267 1.00 15.00 O ATOM 589 CB LEU B 928 3.931 -8.080 3.130 1.00 15.00 C ATOM 590 CG LEU B 928 3.669 -6.572 3.285 1.00 15.00 C ATOM 591 CD1 LEU B 928 4.966 -5.789 3.408 1.00 15.00 C ATOM 592 CD2 LEU B 928 2.841 -6.050 2.121 1.00 15.00 C ATOM 0 HA LEU B 928 3.819 -8.089 0.981 1.00 15.00 H new ATOM 0 HB2 LEU B 928 3.008 -8.611 3.365 1.00 15.00 H new ATOM 0 HB3 LEU B 928 4.667 -8.375 3.877 1.00 15.00 H new ATOM 0 HG LEU B 928 3.106 -6.429 4.207 1.00 15.00 H new ATOM 0 HD11 LEU B 928 4.742 -4.728 3.516 1.00 15.00 H new ATOM 0 HD12 LEU B 928 5.518 -6.134 4.282 1.00 15.00 H new ATOM 0 HD13 LEU B 928 5.570 -5.943 2.514 1.00 15.00 H new ATOM 0 HD21 LEU B 928 2.666 -4.982 2.249 1.00 15.00 H new ATOM 0 HD22 LEU B 928 3.377 -6.221 1.188 1.00 15.00 H new ATOM 0 HD23 LEU B 928 1.885 -6.573 2.091 1.00 15.00 H new ATOM 604 N PRO B 929 6.144 -7.365 0.472 1.00 15.00 N ATOM 605 CA PRO B 929 7.495 -6.917 0.153 1.00 15.00 C ATOM 606 C PRO B 929 7.941 -5.748 1.030 1.00 15.00 C ATOM 607 O PRO B 929 7.205 -4.771 1.196 1.00 15.00 O ATOM 608 CB PRO B 929 7.387 -6.486 -1.311 1.00 15.00 C ATOM 609 CG PRO B 929 5.962 -6.078 -1.501 1.00 15.00 C ATOM 610 CD PRO B 929 5.145 -6.843 -0.488 1.00 15.00 C ATOM 0 HA PRO B 929 8.237 -7.696 0.326 1.00 15.00 H new ATOM 0 HB2 PRO B 929 8.064 -5.660 -1.528 1.00 15.00 H new ATOM 0 HB3 PRO B 929 7.655 -7.303 -1.982 1.00 15.00 H new ATOM 0 HG2 PRO B 929 5.846 -5.004 -1.358 1.00 15.00 H new ATOM 0 HG3 PRO B 929 5.628 -6.302 -2.514 1.00 15.00 H new ATOM 0 HD2 PRO B 929 4.419 -6.197 0.006 1.00 15.00 H new ATOM 0 HD3 PRO B 929 4.585 -7.652 -0.958 1.00 15.00 H new ATOM 618 N PRO B 930 9.151 -5.845 1.615 1.00 15.00 N ATOM 619 CA PRO B 930 9.747 -4.755 2.396 1.00 15.00 C ATOM 620 C PRO B 930 9.698 -3.441 1.628 1.00 15.00 C ATOM 621 O PRO B 930 10.037 -3.395 0.443 1.00 15.00 O ATOM 622 CB PRO B 930 11.191 -5.217 2.595 1.00 15.00 C ATOM 623 CG PRO B 930 11.118 -6.702 2.546 1.00 15.00 C ATOM 624 CD PRO B 930 10.031 -7.027 1.561 1.00 15.00 C ATOM 0 HA PRO B 930 9.224 -4.567 3.333 1.00 15.00 H new ATOM 0 HB2 PRO B 930 11.844 -4.826 1.815 1.00 15.00 H new ATOM 0 HB3 PRO B 930 11.591 -4.871 3.548 1.00 15.00 H new ATOM 0 HG2 PRO B 930 12.070 -7.130 2.233 1.00 15.00 H new ATOM 0 HG3 PRO B 930 10.891 -7.115 3.529 1.00 15.00 H new ATOM 0 HD2 PRO B 930 10.431 -7.184 0.559 1.00 15.00 H new ATOM 0 HD3 PRO B 930 9.498 -7.937 1.837 1.00 15.00 H new ATOM 632 N TYR B 931 9.287 -2.376 2.295 1.00 15.00 N ATOM 633 CA TYR B 931 8.996 -1.141 1.597 1.00 15.00 C ATOM 634 C TYR B 931 10.274 -0.378 1.270 1.00 15.00 C ATOM 635 O TYR B 931 11.032 0.022 2.155 1.00 15.00 O ATOM 636 CB TYR B 931 8.064 -0.295 2.478 1.00 15.00 C ATOM 637 CG TYR B 931 7.633 1.046 1.907 1.00 15.00 C ATOM 638 CD1 TYR B 931 7.495 1.255 0.540 1.00 15.00 C ATOM 639 CD2 TYR B 931 7.343 2.104 2.758 1.00 15.00 C ATOM 640 CE1 TYR B 931 7.083 2.481 0.044 1.00 15.00 C ATOM 641 CE2 TYR B 931 6.927 3.326 2.274 1.00 15.00 C ATOM 642 CZ TYR B 931 6.800 3.511 0.917 1.00 15.00 C ATOM 643 OH TYR B 931 6.376 4.728 0.435 1.00 15.00 O ATOM 0 H TYR B 931 9.149 -2.343 3.305 1.00 15.00 H new ATOM 0 HA TYR B 931 8.508 -1.365 0.649 1.00 15.00 H new ATOM 0 HB2 TYR B 931 7.169 -0.880 2.690 1.00 15.00 H new ATOM 0 HB3 TYR B 931 8.562 -0.117 3.431 1.00 15.00 H new ATOM 0 HD1 TYR B 931 7.712 0.450 -0.146 1.00 15.00 H new ATOM 0 HD2 TYR B 931 7.446 1.966 3.824 1.00 15.00 H new ATOM 0 HE1 TYR B 931 6.984 2.630 -1.021 1.00 15.00 H new ATOM 0 HE2 TYR B 931 6.702 4.133 2.956 1.00 15.00 H new ATOM 0 HH TYR B 931 5.416 4.688 0.244 1.00 15.00 H new ATOM 653 N GLU B 932 10.487 -0.188 -0.019 1.00 15.00 N ATOM 654 CA GLU B 932 11.473 0.739 -0.536 1.00 15.00 C ATOM 655 C GLU B 932 10.692 1.887 -1.149 1.00 15.00 C ATOM 656 O GLU B 932 9.786 1.632 -1.944 1.00 15.00 O ATOM 657 CB GLU B 932 12.351 0.044 -1.587 1.00 15.00 C ATOM 658 CG GLU B 932 13.768 0.595 -1.695 1.00 15.00 C ATOM 659 CD GLU B 932 13.828 2.024 -2.199 1.00 15.00 C ATOM 660 OE1 GLU B 932 13.801 2.228 -3.430 1.00 15.00 O1- ATOM 661 OE2 GLU B 932 13.920 2.951 -1.365 1.00 15.00 O ATOM 0 H GLU B 932 9.971 -0.682 -0.747 1.00 15.00 H new ATOM 0 HA GLU B 932 12.140 1.099 0.247 1.00 15.00 H new ATOM 0 HB2 GLU B 932 12.406 -1.019 -1.350 1.00 15.00 H new ATOM 0 HB3 GLU B 932 11.867 0.130 -2.560 1.00 15.00 H new ATOM 0 HG2 GLU B 932 14.244 0.544 -0.716 1.00 15.00 H new ATOM 0 HG3 GLU B 932 14.346 -0.042 -2.364 1.00 15.00 H new ATOM 668 N THR B 933 10.998 3.124 -0.788 1.00 15.00 N ATOM 669 CA THR B 933 10.186 4.233 -1.250 1.00 15.00 C ATOM 670 C THR B 933 10.115 4.264 -2.778 1.00 15.00 C ATOM 671 O THR B 933 11.122 4.385 -3.480 1.00 15.00 O ATOM 672 CB THR B 933 10.684 5.587 -0.718 1.00 15.00 C ATOM 673 OG1 THR B 933 10.912 5.497 0.699 1.00 15.00 O ATOM 674 CG2 THR B 933 9.652 6.673 -1.003 1.00 15.00 C ATOM 0 H THR B 933 11.784 3.379 -0.191 1.00 15.00 H new ATOM 0 HA THR B 933 9.185 4.070 -0.851 1.00 15.00 H new ATOM 0 HB THR B 933 11.617 5.843 -1.220 1.00 15.00 H new ATOM 0 HG1 THR B 933 11.231 6.361 1.035 1.00 15.00 H new ATOM 0 HG21 THR B 933 10.014 7.628 -0.622 1.00 15.00 H new ATOM 0 HG22 THR B 933 9.491 6.749 -2.078 1.00 15.00 H new ATOM 0 HG23 THR B 933 8.712 6.420 -0.512 1.00 15.00 H new ATOM 682 N PHE B 934 8.898 4.148 -3.253 1.00 15.00 N ATOM 683 CA PHE B 934 8.569 4.141 -4.664 1.00 15.00 C ATOM 684 C PHE B 934 8.287 5.582 -5.105 1.00 15.00 C ATOM 685 O PHE B 934 8.464 6.511 -4.315 1.00 15.00 O ATOM 686 CB PHE B 934 7.377 3.206 -4.936 1.00 15.00 C ATOM 687 CG PHE B 934 6.091 3.767 -4.441 1.00 15.00 C ATOM 688 CD1 PHE B 934 5.376 4.617 -5.248 1.00 15.00 C ATOM 689 CD2 PHE B 934 5.630 3.507 -3.166 1.00 15.00 C ATOM 690 CE1 PHE B 934 4.225 5.203 -4.814 1.00 15.00 C ATOM 691 CE2 PHE B 934 4.485 4.103 -2.720 1.00 15.00 C ATOM 692 CZ PHE B 934 3.784 4.952 -3.549 1.00 15.00 C ATOM 0 H PHE B 934 8.080 4.053 -2.651 1.00 15.00 H new ATOM 0 HA PHE B 934 9.405 3.755 -5.247 1.00 15.00 H new ATOM 0 HB2 PHE B 934 7.301 3.021 -6.008 1.00 15.00 H new ATOM 0 HB3 PHE B 934 7.558 2.243 -4.458 1.00 15.00 H new ATOM 0 HD1 PHE B 934 5.733 4.825 -6.246 1.00 15.00 H new ATOM 0 HD2 PHE B 934 6.174 2.833 -2.522 1.00 15.00 H new ATOM 0 HE1 PHE B 934 3.668 5.860 -5.466 1.00 15.00 H new ATOM 0 HE2 PHE B 934 4.129 3.909 -1.719 1.00 15.00 H new ATOM 0 HZ PHE B 934 2.879 5.422 -3.194 1.00 15.00 H new ATOM 702 N GLU B 935 7.934 5.763 -6.377 1.00 15.00 N ATOM 703 CA GLU B 935 7.706 7.093 -6.965 1.00 15.00 C ATOM 704 C GLU B 935 6.797 7.992 -6.113 1.00 15.00 C ATOM 705 O GLU B 935 6.115 7.536 -5.200 1.00 15.00 O ATOM 706 CB GLU B 935 7.034 6.931 -8.333 1.00 15.00 C ATOM 707 CG GLU B 935 5.719 6.146 -8.295 1.00 15.00 C ATOM 708 CD GLU B 935 5.934 4.645 -8.413 1.00 15.00 C ATOM 709 OE1 GLU B 935 7.089 4.223 -8.650 1.00 15.00 O ATOM 710 OE2 GLU B 935 4.955 3.882 -8.274 1.00 15.00 O1- ATOM 0 H GLU B 935 7.797 4.995 -7.034 1.00 15.00 H new ATOM 0 HA GLU B 935 8.685 7.567 -7.034 1.00 15.00 H new ATOM 0 HB2 GLU B 935 6.843 7.919 -8.751 1.00 15.00 H new ATOM 0 HB3 GLU B 935 7.726 6.428 -9.008 1.00 15.00 H new ATOM 0 HG2 GLU B 935 5.197 6.363 -7.363 1.00 15.00 H new ATOM 0 HG3 GLU B 935 5.075 6.483 -9.107 1.00 15.00 H new ATOM 717 N ASP B 936 6.787 9.279 -6.454 1.00 15.00 N ATOM 718 CA ASP B 936 6.037 10.291 -5.706 1.00 15.00 C ATOM 719 C ASP B 936 4.564 9.917 -5.558 1.00 15.00 C ATOM 720 O ASP B 936 3.847 9.756 -6.550 1.00 15.00 O ATOM 721 CB ASP B 936 6.156 11.647 -6.405 1.00 15.00 C ATOM 722 CG ASP B 936 5.419 12.755 -5.678 1.00 15.00 C ATOM 723 OD1 ASP B 936 6.031 13.406 -4.804 1.00 15.00 O1- ATOM 724 OD2 ASP B 936 4.233 12.999 -5.993 1.00 15.00 O ATOM 0 H ASP B 936 7.297 9.651 -7.255 1.00 15.00 H new ATOM 0 HA ASP B 936 6.468 10.348 -4.706 1.00 15.00 H new ATOM 0 HB2 ASP B 936 7.209 11.914 -6.491 1.00 15.00 H new ATOM 0 HB3 ASP B 936 5.765 11.562 -7.419 1.00 15.00 H new ATOM 729 N LEU B 937 4.127 9.783 -4.313 1.00 15.00 N ATOM 730 CA LEU B 937 2.739 9.460 -4.008 1.00 15.00 C ATOM 731 C LEU B 937 1.908 10.734 -3.882 1.00 15.00 C ATOM 732 O LEU B 937 0.704 10.734 -4.137 1.00 15.00 O ATOM 733 CB LEU B 937 2.627 8.567 -2.738 1.00 15.00 C ATOM 734 CG LEU B 937 3.002 9.168 -1.357 1.00 15.00 C ATOM 735 CD1 LEU B 937 4.336 9.897 -1.379 1.00 15.00 C ATOM 736 CD2 LEU B 937 1.897 10.067 -0.817 1.00 15.00 C ATOM 0 H LEU B 937 4.720 9.894 -3.491 1.00 15.00 H new ATOM 0 HA LEU B 937 2.335 8.879 -4.837 1.00 15.00 H new ATOM 0 HB2 LEU B 937 1.598 8.214 -2.674 1.00 15.00 H new ATOM 0 HB3 LEU B 937 3.255 7.690 -2.896 1.00 15.00 H new ATOM 0 HG LEU B 937 3.113 8.324 -0.677 1.00 15.00 H new ATOM 0 HD11 LEU B 937 4.548 10.297 -0.388 1.00 15.00 H new ATOM 0 HD12 LEU B 937 5.125 9.203 -1.667 1.00 15.00 H new ATOM 0 HD13 LEU B 937 4.292 10.715 -2.098 1.00 15.00 H new ATOM 0 HD21 LEU B 937 2.196 10.469 0.151 1.00 15.00 H new ATOM 0 HD22 LEU B 937 1.723 10.888 -1.513 1.00 15.00 H new ATOM 0 HD23 LEU B 937 0.981 9.488 -0.702 1.00 15.00 H new