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 HE2:sc= -0.292 K(o=-0.29,f=-1.4) USER MOD Set 1.2: B 931 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 500 THR OG1 : rot -37:sc= 1.06 USER MOD Set 2.2: A 502 THR OG1 : rot 96:sc= 0.704 USER MOD Single : A 485 MET CE :methyl -138:sc= -0.315 (180deg=-1.26!) USER MOD Single : A 490 ASN : amide:sc= 0.624 K(o=0.62,f=-0.22) USER MOD Single : A 499 ASN : amide:sc= -1.16 K(o=-1.2,f=-2.3!) USER MOD Single : A 501 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 503 THR OG1 : rot 37:sc= 0.845 USER MOD Single : A 504 THR OG1 : rot -140:sc= 1.28 USER MOD Single : B 933 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 21 N LEU A 479 -8.991 6.937 -0.508 1.00 15.00 N ATOM 22 CA LEU A 479 -8.742 6.419 0.827 1.00 15.00 C ATOM 23 C LEU A 479 -7.957 7.466 1.624 1.00 15.00 C ATOM 24 O LEU A 479 -7.394 8.384 1.024 1.00 15.00 O ATOM 25 CB LEU A 479 -8.020 5.052 0.775 1.00 15.00 C ATOM 26 CG LEU A 479 -6.572 5.027 0.266 1.00 15.00 C ATOM 27 CD1 LEU A 479 -5.957 3.659 0.525 1.00 15.00 C ATOM 28 CD2 LEU A 479 -6.495 5.340 -1.218 1.00 15.00 C ATOM 0 HA LEU A 479 -9.690 6.236 1.334 1.00 15.00 H new ATOM 0 HB2 LEU A 479 -8.029 4.630 1.780 1.00 15.00 H new ATOM 0 HB3 LEU A 479 -8.609 4.386 0.144 1.00 15.00 H new ATOM 0 HG LEU A 479 -6.018 5.795 0.806 1.00 15.00 H new ATOM 0 HD11 LEU A 479 -4.929 3.647 0.162 1.00 15.00 H new ATOM 0 HD12 LEU A 479 -5.966 3.453 1.595 1.00 15.00 H new ATOM 0 HD13 LEU A 479 -6.535 2.896 0.004 1.00 15.00 H new ATOM 0 HD21 LEU A 479 -5.455 5.313 -1.542 1.00 15.00 H new ATOM 0 HD22 LEU A 479 -7.068 4.600 -1.776 1.00 15.00 H new ATOM 0 HD23 LEU A 479 -6.907 6.332 -1.402 1.00 15.00 H new ATOM 40 N PRO A 480 -7.954 7.370 2.975 1.00 15.00 N ATOM 41 CA PRO A 480 -7.335 8.368 3.872 1.00 15.00 C ATOM 42 C PRO A 480 -6.018 8.963 3.348 1.00 15.00 C ATOM 43 O PRO A 480 -5.202 8.268 2.751 1.00 15.00 O ATOM 44 CB PRO A 480 -7.096 7.548 5.130 1.00 15.00 C ATOM 45 CG PRO A 480 -8.252 6.618 5.181 1.00 15.00 C ATOM 46 CD PRO A 480 -8.552 6.261 3.751 1.00 15.00 C ATOM 0 HA PRO A 480 -7.967 9.247 4.000 1.00 15.00 H new ATOM 0 HB2 PRO A 480 -6.151 7.007 5.080 1.00 15.00 H new ATOM 0 HB3 PRO A 480 -7.054 8.181 6.016 1.00 15.00 H new ATOM 0 HG2 PRO A 480 -8.013 5.729 5.765 1.00 15.00 H new ATOM 0 HG3 PRO A 480 -9.113 7.089 5.656 1.00 15.00 H new ATOM 0 HD2 PRO A 480 -8.114 5.301 3.478 1.00 15.00 H new ATOM 0 HD3 PRO A 480 -9.625 6.183 3.575 1.00 15.00 H new ATOM 54 N PRO A 481 -5.787 10.259 3.637 1.00 15.00 N ATOM 55 CA PRO A 481 -4.702 11.069 3.038 1.00 15.00 C ATOM 56 C PRO A 481 -3.285 10.480 3.134 1.00 15.00 C ATOM 57 O PRO A 481 -2.406 10.873 2.366 1.00 15.00 O ATOM 58 CB PRO A 481 -4.767 12.379 3.823 1.00 15.00 C ATOM 59 CG PRO A 481 -6.172 12.467 4.295 1.00 15.00 C ATOM 60 CD PRO A 481 -6.593 11.056 4.581 1.00 15.00 C ATOM 0 HA PRO A 481 -4.862 11.149 1.963 1.00 15.00 H new ATOM 0 HB2 PRO A 481 -4.068 12.374 4.659 1.00 15.00 H new ATOM 0 HB3 PRO A 481 -4.506 13.231 3.194 1.00 15.00 H new ATOM 0 HG2 PRO A 481 -6.247 13.087 5.189 1.00 15.00 H new ATOM 0 HG3 PRO A 481 -6.812 12.921 3.538 1.00 15.00 H new ATOM 0 HD2 PRO A 481 -6.391 10.778 5.615 1.00 15.00 H new ATOM 0 HD3 PRO A 481 -7.661 10.914 4.416 1.00 15.00 H new ATOM 68 N GLY A 482 -3.036 9.591 4.085 1.00 15.00 N ATOM 69 CA GLY A 482 -1.710 8.995 4.186 1.00 15.00 C ATOM 70 C GLY A 482 -1.698 7.558 3.747 1.00 15.00 C ATOM 71 O GLY A 482 -0.650 6.911 3.750 1.00 15.00 O ATOM 0 H GLY A 482 -3.712 9.273 4.779 1.00 15.00 H new ATOM 0 HA2 GLY A 482 -1.010 9.565 3.576 1.00 15.00 H new ATOM 0 HA3 GLY A 482 -1.361 9.061 5.217 1.00 15.00 H new ATOM 75 N TRP A 483 -2.862 7.062 3.376 1.00 15.00 N ATOM 76 CA TRP A 483 -2.987 5.719 2.859 1.00 15.00 C ATOM 77 C TRP A 483 -2.906 5.763 1.347 1.00 15.00 C ATOM 78 O TRP A 483 -3.733 6.384 0.684 1.00 15.00 O ATOM 79 CB TRP A 483 -4.302 5.082 3.300 1.00 15.00 C ATOM 80 CG TRP A 483 -4.328 4.653 4.735 1.00 15.00 C ATOM 81 CD1 TRP A 483 -4.488 5.447 5.830 1.00 15.00 C ATOM 82 CD2 TRP A 483 -4.196 3.315 5.227 1.00 15.00 C ATOM 83 NE1 TRP A 483 -4.481 4.685 6.969 1.00 15.00 N ATOM 84 CE2 TRP A 483 -4.299 3.374 6.624 1.00 15.00 C ATOM 85 CE3 TRP A 483 -4.005 2.073 4.622 1.00 15.00 C ATOM 86 CZ2 TRP A 483 -4.219 2.243 7.423 1.00 15.00 C ATOM 87 CZ3 TRP A 483 -3.917 0.949 5.418 1.00 15.00 C ATOM 88 CH2 TRP A 483 -4.024 1.040 6.806 1.00 15.00 C ATOM 0 H TRP A 483 -3.741 7.577 3.425 1.00 15.00 H new ATOM 0 HA TRP A 483 -2.175 5.109 3.255 1.00 15.00 H new ATOM 0 HB2 TRP A 483 -5.111 5.792 3.131 1.00 15.00 H new ATOM 0 HB3 TRP A 483 -4.502 4.215 2.670 1.00 15.00 H new ATOM 0 HD1 TRP A 483 -4.604 6.520 5.804 1.00 15.00 H new ATOM 0 HE1 TRP A 483 -4.593 5.038 7.919 1.00 15.00 H new ATOM 0 HE3 TRP A 483 -3.927 1.992 3.548 1.00 15.00 H new ATOM 0 HZ2 TRP A 483 -4.308 2.311 8.497 1.00 15.00 H new ATOM 0 HZ3 TRP A 483 -3.763 -0.016 4.959 1.00 15.00 H new ATOM 0 HH2 TRP A 483 -3.951 0.143 7.403 1.00 15.00 H new ATOM 99 N GLU A 484 -1.884 5.137 0.815 1.00 15.00 N ATOM 100 CA GLU A 484 -1.657 5.123 -0.613 1.00 15.00 C ATOM 101 C GLU A 484 -2.014 3.752 -1.165 1.00 15.00 C ATOM 102 O GLU A 484 -1.892 2.753 -0.470 1.00 15.00 O ATOM 103 CB GLU A 484 -0.191 5.447 -0.885 1.00 15.00 C ATOM 104 CG GLU A 484 0.041 6.319 -2.106 1.00 15.00 C ATOM 105 CD GLU A 484 -0.449 5.708 -3.403 1.00 15.00 C ATOM 106 OE1 GLU A 484 0.309 4.942 -4.027 1.00 15.00 O ATOM 107 OE2 GLU A 484 -1.592 6.006 -3.809 1.00 15.00 O1- ATOM 0 H GLU A 484 -1.188 4.624 1.356 1.00 15.00 H new ATOM 0 HA GLU A 484 -2.282 5.870 -1.103 1.00 15.00 H new ATOM 0 HB2 GLU A 484 0.226 5.947 -0.011 1.00 15.00 H new ATOM 0 HB3 GLU A 484 0.358 4.514 -1.010 1.00 15.00 H new ATOM 0 HG2 GLU A 484 -0.458 7.276 -1.956 1.00 15.00 H new ATOM 0 HG3 GLU A 484 1.107 6.526 -2.194 1.00 15.00 H new ATOM 114 N MET A 485 -2.448 3.702 -2.403 1.00 15.00 N ATOM 115 CA MET A 485 -2.796 2.439 -3.026 1.00 15.00 C ATOM 116 C MET A 485 -1.898 2.211 -4.230 1.00 15.00 C ATOM 117 O MET A 485 -2.058 2.854 -5.268 1.00 15.00 O ATOM 118 CB MET A 485 -4.277 2.418 -3.425 1.00 15.00 C ATOM 119 CG MET A 485 -4.808 1.040 -3.812 1.00 15.00 C ATOM 120 SD MET A 485 -4.324 0.519 -5.472 1.00 15.00 S ATOM 121 CE MET A 485 -5.076 1.817 -6.456 1.00 15.00 C ATOM 0 H MET A 485 -2.570 4.519 -3.001 1.00 15.00 H new ATOM 0 HA MET A 485 -2.642 1.630 -2.312 1.00 15.00 H new ATOM 0 HB2 MET A 485 -4.870 2.802 -2.595 1.00 15.00 H new ATOM 0 HB3 MET A 485 -4.424 3.099 -4.263 1.00 15.00 H new ATOM 0 HG2 MET A 485 -4.449 0.306 -3.091 1.00 15.00 H new ATOM 0 HG3 MET A 485 -5.896 1.047 -3.745 1.00 15.00 H new ATOM 0 HE1 MET A 485 -5.537 1.381 -7.342 1.00 15.00 H new ATOM 0 HE2 MET A 485 -5.837 2.327 -5.865 1.00 15.00 H new ATOM 0 HE3 MET A 485 -4.312 2.533 -6.759 1.00 15.00 H new ATOM 131 N ARG A 486 -0.931 1.325 -4.073 1.00 15.00 N ATOM 132 CA ARG A 486 0.031 1.066 -5.129 1.00 15.00 C ATOM 133 C ARG A 486 -0.101 -0.351 -5.627 1.00 15.00 C ATOM 134 O ARG A 486 -0.272 -1.288 -4.850 1.00 15.00 O ATOM 135 CB ARG A 486 1.455 1.325 -4.643 1.00 15.00 C ATOM 136 CG ARG A 486 2.531 1.198 -5.722 1.00 15.00 C ATOM 137 CD ARG A 486 2.262 2.138 -6.888 1.00 15.00 C ATOM 138 NE ARG A 486 1.526 3.317 -6.453 1.00 15.00 N ATOM 139 CZ ARG A 486 0.768 4.064 -7.240 1.00 15.00 C ATOM 140 NH1 ARG A 486 0.804 3.934 -8.560 1.00 15.00 N1+ ATOM 141 NH2 ARG A 486 -0.002 4.983 -6.704 1.00 15.00 N ATOM 0 H ARG A 486 -0.791 0.774 -3.226 1.00 15.00 H new ATOM 0 HA ARG A 486 -0.179 1.748 -5.953 1.00 15.00 H new ATOM 0 HB2 ARG A 486 1.503 2.327 -4.218 1.00 15.00 H new ATOM 0 HB3 ARG A 486 1.683 0.626 -3.838 1.00 15.00 H new ATOM 0 HG2 ARG A 486 3.508 1.420 -5.292 1.00 15.00 H new ATOM 0 HG3 ARG A 486 2.567 0.170 -6.082 1.00 15.00 H new ATOM 0 HD2 ARG A 486 3.206 2.441 -7.340 1.00 15.00 H new ATOM 0 HD3 ARG A 486 1.694 1.615 -7.657 1.00 15.00 H new ATOM 0 HE ARG A 486 1.600 3.586 -5.472 1.00 15.00 H new ATOM 0 HH11 ARG A 486 1.425 3.247 -8.988 1.00 15.00 H new ATOM 0 HH12 ARG A 486 0.211 4.521 -9.147 1.00 15.00 H new ATOM 0 HH21 ARG A 486 -0.011 5.114 -5.693 1.00 15.00 H new ATOM 0 HH22 ARG A 486 -0.591 5.565 -7.299 1.00 15.00 H new ATOM 155 N ILE A 487 -0.007 -0.496 -6.925 1.00 15.00 N ATOM 156 CA ILE A 487 -0.161 -1.804 -7.546 1.00 15.00 C ATOM 157 C ILE A 487 1.182 -2.458 -7.875 1.00 15.00 C ATOM 158 O ILE A 487 2.157 -1.780 -8.201 1.00 15.00 O ATOM 159 CB ILE A 487 -1.014 -1.724 -8.829 1.00 15.00 C ATOM 160 CG1 ILE A 487 -0.417 -0.711 -9.811 1.00 15.00 C ATOM 161 CG2 ILE A 487 -2.453 -1.364 -8.484 1.00 15.00 C ATOM 162 CD1 ILE A 487 -1.162 -0.626 -11.123 1.00 15.00 C ATOM 0 H ILE A 487 0.175 0.267 -7.577 1.00 15.00 H new ATOM 0 HA ILE A 487 -0.672 -2.424 -6.810 1.00 15.00 H new ATOM 0 HB ILE A 487 -1.011 -2.702 -9.311 1.00 15.00 H new ATOM 0 HG12 ILE A 487 -0.409 0.274 -9.343 1.00 15.00 H new ATOM 0 HG13 ILE A 487 0.621 -0.979 -10.009 1.00 15.00 H new ATOM 0 HG21 ILE A 487 -3.044 -1.311 -9.398 1.00 15.00 H new ATOM 0 HG22 ILE A 487 -2.871 -2.126 -7.826 1.00 15.00 H new ATOM 0 HG23 ILE A 487 -2.476 -0.397 -7.981 1.00 15.00 H new ATOM 0 HD11 ILE A 487 -0.682 0.111 -11.767 1.00 15.00 H new ATOM 0 HD12 ILE A 487 -1.148 -1.600 -11.613 1.00 15.00 H new ATOM 0 HD13 ILE A 487 -2.194 -0.328 -10.937 1.00 15.00 H new ATOM 174 N ALA A 488 1.220 -3.781 -7.764 1.00 15.00 N ATOM 175 CA ALA A 488 2.334 -4.571 -8.258 1.00 15.00 C ATOM 176 C ALA A 488 2.036 -4.943 -9.709 1.00 15.00 C ATOM 177 O ALA A 488 0.865 -5.057 -10.070 1.00 15.00 O ATOM 178 CB ALA A 488 2.560 -5.808 -7.398 1.00 15.00 C ATOM 0 H ALA A 488 0.480 -4.332 -7.330 1.00 15.00 H new ATOM 0 HA ALA A 488 3.256 -3.992 -8.207 1.00 15.00 H new ATOM 0 HB1 ALA A 488 3.400 -6.378 -7.794 1.00 15.00 H new ATOM 0 HB2 ALA A 488 2.778 -5.504 -6.374 1.00 15.00 H new ATOM 0 HB3 ALA A 488 1.664 -6.428 -7.410 1.00 15.00 H new ATOM 184 N PRO A 489 3.072 -5.112 -10.556 1.00 15.00 N ATOM 185 CA PRO A 489 2.920 -5.258 -12.025 1.00 15.00 C ATOM 186 C PRO A 489 1.953 -6.362 -12.486 1.00 15.00 C ATOM 187 O PRO A 489 1.686 -6.493 -13.679 1.00 15.00 O ATOM 188 CB PRO A 489 4.339 -5.586 -12.496 1.00 15.00 C ATOM 189 CG PRO A 489 5.227 -5.004 -11.455 1.00 15.00 C ATOM 190 CD PRO A 489 4.491 -5.159 -10.154 1.00 15.00 C ATOM 0 HA PRO A 489 2.483 -4.350 -12.442 1.00 15.00 H new ATOM 0 HB2 PRO A 489 4.487 -6.662 -12.586 1.00 15.00 H new ATOM 0 HB3 PRO A 489 4.541 -5.153 -13.476 1.00 15.00 H new ATOM 0 HG2 PRO A 489 6.186 -5.521 -11.426 1.00 15.00 H new ATOM 0 HG3 PRO A 489 5.437 -3.955 -11.663 1.00 15.00 H new ATOM 0 HD2 PRO A 489 4.738 -6.100 -9.662 1.00 15.00 H new ATOM 0 HD3 PRO A 489 4.737 -4.360 -9.455 1.00 15.00 H new ATOM 198 N ASN A 490 1.437 -7.152 -11.558 1.00 15.00 N ATOM 199 CA ASN A 490 0.514 -8.231 -11.904 1.00 15.00 C ATOM 200 C ASN A 490 -0.934 -7.818 -11.603 1.00 15.00 C ATOM 201 O ASN A 490 -1.857 -8.618 -11.729 1.00 15.00 O ATOM 202 CB ASN A 490 0.883 -9.503 -11.120 1.00 15.00 C ATOM 203 CG ASN A 490 0.508 -10.799 -11.836 1.00 15.00 C ATOM 204 OD1 ASN A 490 1.208 -11.806 -11.714 1.00 15.00 O ATOM 205 ND2 ASN A 490 -0.593 -10.798 -12.566 1.00 15.00 N ATOM 0 H ASN A 490 1.638 -7.070 -10.561 1.00 15.00 H new ATOM 0 HA ASN A 490 0.595 -8.436 -12.971 1.00 15.00 H new ATOM 0 HB2 ASN A 490 1.956 -9.502 -10.929 1.00 15.00 H new ATOM 0 HB3 ASN A 490 0.386 -9.478 -10.150 1.00 15.00 H new ATOM 0 HD21 ASN A 490 -0.886 -11.648 -13.049 1.00 15.00 H new ATOM 0 HD22 ASN A 490 -1.151 -9.948 -12.647 1.00 15.00 H new ATOM 212 N GLY A 491 -1.134 -6.556 -11.226 1.00 15.00 N ATOM 213 CA GLY A 491 -2.466 -6.103 -10.855 1.00 15.00 C ATOM 214 C GLY A 491 -2.700 -6.267 -9.370 1.00 15.00 C ATOM 215 O GLY A 491 -3.798 -6.606 -8.926 1.00 15.00 O ATOM 0 H GLY A 491 -0.405 -5.845 -11.171 1.00 15.00 H new ATOM 0 HA2 GLY A 491 -2.588 -5.056 -11.133 1.00 15.00 H new ATOM 0 HA3 GLY A 491 -3.214 -6.669 -11.409 1.00 15.00 H new ATOM 219 N ARG A 492 -1.643 -6.039 -8.609 1.00 15.00 N ATOM 220 CA ARG A 492 -1.611 -6.357 -7.188 1.00 15.00 C ATOM 221 C ARG A 492 -1.701 -5.087 -6.335 1.00 15.00 C ATOM 222 O ARG A 492 -0.715 -4.384 -6.185 1.00 15.00 O ATOM 223 CB ARG A 492 -0.289 -7.065 -6.909 1.00 15.00 C ATOM 224 CG ARG A 492 -0.239 -7.922 -5.680 1.00 15.00 C ATOM 225 CD ARG A 492 -0.855 -9.292 -5.917 1.00 15.00 C ATOM 226 NE ARG A 492 -2.273 -9.204 -6.262 1.00 15.00 N ATOM 227 CZ ARG A 492 -2.877 -9.986 -7.158 1.00 15.00 C ATOM 228 NH1 ARG A 492 -2.187 -10.918 -7.803 1.00 15.00 N1+ ATOM 229 NH2 ARG A 492 -4.173 -9.836 -7.408 1.00 15.00 N ATOM 0 H ARG A 492 -0.778 -5.626 -8.959 1.00 15.00 H new ATOM 0 HA ARG A 492 -2.462 -6.988 -6.932 1.00 15.00 H new ATOM 0 HB2 ARG A 492 -0.046 -7.688 -7.770 1.00 15.00 H new ATOM 0 HB3 ARG A 492 0.493 -6.310 -6.831 1.00 15.00 H new ATOM 0 HG2 ARG A 492 0.797 -8.040 -5.362 1.00 15.00 H new ATOM 0 HG3 ARG A 492 -0.767 -7.422 -4.868 1.00 15.00 H new ATOM 0 HD2 ARG A 492 -0.318 -9.797 -6.720 1.00 15.00 H new ATOM 0 HD3 ARG A 492 -0.737 -9.902 -5.021 1.00 15.00 H new ATOM 0 HE ARG A 492 -2.837 -8.499 -5.787 1.00 15.00 H new ATOM 0 HH11 ARG A 492 -1.192 -11.038 -7.614 1.00 15.00 H new ATOM 0 HH12 ARG A 492 -2.652 -11.514 -8.488 1.00 15.00 H new ATOM 0 HH21 ARG A 492 -4.708 -9.122 -6.914 1.00 15.00 H new ATOM 0 HH22 ARG A 492 -4.633 -10.435 -8.094 1.00 15.00 H new ATOM 243 N PRO A 493 -2.869 -4.764 -5.772 1.00 15.00 N ATOM 244 CA PRO A 493 -3.052 -3.528 -5.021 1.00 15.00 C ATOM 245 C PRO A 493 -2.737 -3.667 -3.529 1.00 15.00 C ATOM 246 O PRO A 493 -3.366 -4.457 -2.819 1.00 15.00 O ATOM 247 CB PRO A 493 -4.537 -3.218 -5.231 1.00 15.00 C ATOM 248 CG PRO A 493 -5.191 -4.510 -5.633 1.00 15.00 C ATOM 249 CD PRO A 493 -4.107 -5.543 -5.831 1.00 15.00 C ATOM 0 HA PRO A 493 -2.374 -2.746 -5.363 1.00 15.00 H new ATOM 0 HB2 PRO A 493 -4.984 -2.825 -4.318 1.00 15.00 H new ATOM 0 HB3 PRO A 493 -4.669 -2.460 -6.003 1.00 15.00 H new ATOM 0 HG2 PRO A 493 -5.892 -4.837 -4.865 1.00 15.00 H new ATOM 0 HG3 PRO A 493 -5.763 -4.378 -6.551 1.00 15.00 H new ATOM 0 HD2 PRO A 493 -4.136 -6.308 -5.055 1.00 15.00 H new ATOM 0 HD3 PRO A 493 -4.212 -6.055 -6.787 1.00 15.00 H new ATOM 257 N PHE A 494 -1.747 -2.905 -3.072 1.00 15.00 N ATOM 258 CA PHE A 494 -1.391 -2.862 -1.657 1.00 15.00 C ATOM 259 C PHE A 494 -1.486 -1.437 -1.128 1.00 15.00 C ATOM 260 O PHE A 494 -1.267 -0.472 -1.865 1.00 15.00 O ATOM 261 CB PHE A 494 0.020 -3.429 -1.409 1.00 15.00 C ATOM 262 CG PHE A 494 1.131 -2.800 -2.216 1.00 15.00 C ATOM 263 CD1 PHE A 494 1.647 -1.557 -1.874 1.00 15.00 C ATOM 264 CD2 PHE A 494 1.672 -3.465 -3.305 1.00 15.00 C ATOM 265 CE1 PHE A 494 2.675 -0.988 -2.606 1.00 15.00 C ATOM 266 CE2 PHE A 494 2.700 -2.904 -4.038 1.00 15.00 C ATOM 267 CZ PHE A 494 3.202 -1.664 -3.690 1.00 15.00 C ATOM 0 H PHE A 494 -1.174 -2.305 -3.666 1.00 15.00 H new ATOM 0 HA PHE A 494 -2.102 -3.490 -1.119 1.00 15.00 H new ATOM 0 HB2 PHE A 494 0.256 -3.316 -0.351 1.00 15.00 H new ATOM 0 HB3 PHE A 494 0.004 -4.498 -1.620 1.00 15.00 H new ATOM 0 HD1 PHE A 494 1.241 -1.027 -1.025 1.00 15.00 H new ATOM 0 HD2 PHE A 494 1.285 -4.434 -3.584 1.00 15.00 H new ATOM 0 HE1 PHE A 494 3.064 -0.019 -2.331 1.00 15.00 H new ATOM 0 HE2 PHE A 494 3.112 -3.435 -4.884 1.00 15.00 H new ATOM 0 HZ PHE A 494 4.004 -1.224 -4.264 1.00 15.00 H new ATOM 277 N PHE A 495 -1.802 -1.311 0.150 1.00 15.00 N ATOM 278 CA PHE A 495 -1.894 -0.010 0.788 1.00 15.00 C ATOM 279 C PHE A 495 -0.583 0.327 1.473 1.00 15.00 C ATOM 280 O PHE A 495 0.075 -0.543 2.039 1.00 15.00 O ATOM 281 CB PHE A 495 -3.005 0.023 1.837 1.00 15.00 C ATOM 282 CG PHE A 495 -4.338 -0.474 1.365 1.00 15.00 C ATOM 283 CD1 PHE A 495 -4.768 -0.273 0.064 1.00 15.00 C ATOM 284 CD2 PHE A 495 -5.166 -1.140 2.244 1.00 15.00 C ATOM 285 CE1 PHE A 495 -6.002 -0.738 -0.350 1.00 15.00 C ATOM 286 CE2 PHE A 495 -6.397 -1.607 1.845 1.00 15.00 C ATOM 287 CZ PHE A 495 -6.819 -1.407 0.544 1.00 15.00 C ATOM 0 H PHE A 495 -2.000 -2.098 0.768 1.00 15.00 H new ATOM 0 HA PHE A 495 -2.118 0.718 0.008 1.00 15.00 H new ATOM 0 HB2 PHE A 495 -2.693 -0.576 2.693 1.00 15.00 H new ATOM 0 HB3 PHE A 495 -3.120 1.048 2.190 1.00 15.00 H new ATOM 0 HD1 PHE A 495 -4.133 0.252 -0.634 1.00 15.00 H new ATOM 0 HD2 PHE A 495 -4.843 -1.298 3.262 1.00 15.00 H new ATOM 0 HE1 PHE A 495 -6.327 -0.580 -1.368 1.00 15.00 H new ATOM 0 HE2 PHE A 495 -7.032 -2.128 2.546 1.00 15.00 H new ATOM 0 HZ PHE A 495 -7.784 -1.772 0.226 1.00 15.00 H new ATOM 297 N ILE A 496 -0.219 1.589 1.423 1.00 15.00 N ATOM 298 CA ILE A 496 0.942 2.083 2.129 1.00 15.00 C ATOM 299 C ILE A 496 0.530 3.243 2.998 1.00 15.00 C ATOM 300 O ILE A 496 0.201 4.314 2.487 1.00 15.00 O ATOM 301 CB ILE A 496 2.067 2.574 1.184 1.00 15.00 C ATOM 302 CG1 ILE A 496 2.305 1.598 0.030 1.00 15.00 C ATOM 303 CG2 ILE A 496 3.352 2.782 1.969 1.00 15.00 C ATOM 304 CD1 ILE A 496 1.365 1.804 -1.141 1.00 15.00 C ATOM 0 H ILE A 496 -0.719 2.302 0.892 1.00 15.00 H new ATOM 0 HA ILE A 496 1.334 1.250 2.712 1.00 15.00 H new ATOM 0 HB ILE A 496 1.748 3.523 0.752 1.00 15.00 H new ATOM 0 HG12 ILE A 496 3.333 1.702 -0.317 1.00 15.00 H new ATOM 0 HG13 ILE A 496 2.195 0.578 0.399 1.00 15.00 H new ATOM 0 HG21 ILE A 496 4.137 3.127 1.297 1.00 15.00 H new ATOM 0 HG22 ILE A 496 3.187 3.528 2.747 1.00 15.00 H new ATOM 0 HG23 ILE A 496 3.655 1.841 2.427 1.00 15.00 H new ATOM 0 HD11 ILE A 496 1.591 1.078 -1.922 1.00 15.00 H new ATOM 0 HD12 ILE A 496 0.335 1.671 -0.809 1.00 15.00 H new ATOM 0 HD13 ILE A 496 1.491 2.812 -1.536 1.00 15.00 H new ATOM 316 N ASP A 497 0.532 3.052 4.302 1.00 15.00 N ATOM 317 CA ASP A 497 0.270 4.163 5.182 1.00 15.00 C ATOM 318 C ASP A 497 1.590 4.824 5.504 1.00 15.00 C ATOM 319 O ASP A 497 2.523 4.212 6.026 1.00 15.00 O ATOM 320 CB ASP A 497 -0.484 3.771 6.454 1.00 15.00 C ATOM 321 CG ASP A 497 0.396 3.182 7.535 1.00 15.00 C ATOM 322 OD1 ASP A 497 0.591 1.950 7.549 1.00 15.00 O1- ATOM 323 OD2 ASP A 497 0.897 3.958 8.378 1.00 15.00 O ATOM 0 H ASP A 497 0.708 2.159 4.763 1.00 15.00 H new ATOM 0 HA ASP A 497 -0.394 4.859 4.670 1.00 15.00 H new ATOM 0 HB2 ASP A 497 -0.989 4.652 6.851 1.00 15.00 H new ATOM 0 HB3 ASP A 497 -1.259 3.049 6.197 1.00 15.00 H new ATOM 328 N HIS A 498 1.676 6.066 5.122 1.00 15.00 N ATOM 329 CA HIS A 498 2.924 6.792 5.176 1.00 15.00 C ATOM 330 C HIS A 498 3.226 7.300 6.579 1.00 15.00 C ATOM 331 O HIS A 498 4.326 7.781 6.843 1.00 15.00 O ATOM 332 CB HIS A 498 2.934 7.909 4.129 1.00 15.00 C ATOM 333 CG HIS A 498 2.995 7.367 2.725 1.00 15.00 C ATOM 334 ND1 HIS A 498 4.184 7.108 2.071 1.00 15.00 N ATOM 335 CD2 HIS A 498 2.009 6.979 1.869 1.00 15.00 C ATOM 336 CE1 HIS A 498 3.933 6.588 0.884 1.00 15.00 C ATOM 337 NE2 HIS A 498 2.622 6.499 0.738 1.00 15.00 N ATOM 0 H HIS A 498 0.889 6.607 4.765 1.00 15.00 H new ATOM 0 HA HIS A 498 3.733 6.104 4.930 1.00 15.00 H new ATOM 0 HB2 HIS A 498 2.039 8.520 4.243 1.00 15.00 H new ATOM 0 HB3 HIS A 498 3.790 8.561 4.303 1.00 15.00 H new ATOM 0 HD1 HIS A 498 5.114 7.291 2.448 1.00 15.00 H new ATOM 0 HD2 HIS A 498 0.945 7.038 2.046 1.00 15.00 H new ATOM 0 HE1 HIS A 498 4.672 6.287 0.156 1.00 15.00 H new ATOM 346 N ASN A 499 2.253 7.194 7.481 1.00 15.00 N ATOM 347 CA ASN A 499 2.447 7.686 8.836 1.00 15.00 C ATOM 348 C ASN A 499 3.249 6.690 9.687 1.00 15.00 C ATOM 349 O ASN A 499 4.214 7.086 10.340 1.00 15.00 O ATOM 350 CB ASN A 499 1.110 8.055 9.503 1.00 15.00 C ATOM 351 CG ASN A 499 0.168 6.881 9.702 1.00 15.00 C ATOM 352 OD1 ASN A 499 0.183 6.231 10.745 1.00 15.00 O ATOM 353 ND2 ASN A 499 -0.679 6.617 8.718 1.00 15.00 N ATOM 0 H ASN A 499 1.339 6.779 7.300 1.00 15.00 H new ATOM 0 HA ASN A 499 3.035 8.601 8.768 1.00 15.00 H new ATOM 0 HB2 ASN A 499 1.314 8.511 10.472 1.00 15.00 H new ATOM 0 HB3 ASN A 499 0.610 8.809 8.895 1.00 15.00 H new ATOM 0 HD21 ASN A 499 -1.348 5.853 8.812 1.00 15.00 H new ATOM 0 HD22 ASN A 499 -0.662 7.178 7.866 1.00 15.00 H new ATOM 360 N THR A 500 2.860 5.409 9.705 1.00 15.00 N ATOM 361 CA THR A 500 3.687 4.394 10.362 1.00 15.00 C ATOM 362 C THR A 500 4.824 3.968 9.439 1.00 15.00 C ATOM 363 O THR A 500 5.839 3.427 9.894 1.00 15.00 O ATOM 364 CB THR A 500 2.896 3.141 10.808 1.00 15.00 C ATOM 365 OG1 THR A 500 2.465 2.384 9.674 1.00 15.00 O ATOM 366 CG2 THR A 500 1.693 3.521 11.657 1.00 15.00 C ATOM 0 H THR A 500 2.000 5.058 9.283 1.00 15.00 H new ATOM 0 HA THR A 500 4.077 4.862 11.266 1.00 15.00 H new ATOM 0 HB THR A 500 3.567 2.529 11.411 1.00 15.00 H new ATOM 0 HG1 THR A 500 2.209 2.994 8.951 1.00 15.00 H new ATOM 0 HG21 THR A 500 1.158 2.619 11.954 1.00 15.00 H new ATOM 0 HG22 THR A 500 2.029 4.054 12.547 1.00 15.00 H new ATOM 0 HG23 THR A 500 1.028 4.163 11.079 1.00 15.00 H new ATOM 374 N LYS A 501 4.620 4.207 8.137 1.00 15.00 N ATOM 375 CA LYS A 501 5.571 3.823 7.095 1.00 15.00 C ATOM 376 C LYS A 501 5.538 2.304 6.904 1.00 15.00 C ATOM 377 O LYS A 501 6.572 1.626 6.889 1.00 15.00 O ATOM 378 CB LYS A 501 6.978 4.339 7.431 1.00 15.00 C ATOM 379 CG LYS A 501 7.976 4.242 6.290 1.00 15.00 C ATOM 380 CD LYS A 501 9.239 5.030 6.599 1.00 15.00 C ATOM 381 CE LYS A 501 8.947 6.520 6.666 1.00 15.00 C ATOM 382 NZ LYS A 501 10.110 7.303 7.157 1.00 15.00 N1+ ATOM 0 H LYS A 501 3.787 4.674 7.779 1.00 15.00 H new ATOM 0 HA LYS A 501 5.285 4.284 6.150 1.00 15.00 H new ATOM 0 HB2 LYS A 501 6.904 5.381 7.744 1.00 15.00 H new ATOM 0 HB3 LYS A 501 7.363 3.777 8.282 1.00 15.00 H new ATOM 0 HG2 LYS A 501 8.230 3.197 6.113 1.00 15.00 H new ATOM 0 HG3 LYS A 501 7.523 4.620 5.373 1.00 15.00 H new ATOM 0 HD2 LYS A 501 9.658 4.695 7.548 1.00 15.00 H new ATOM 0 HD3 LYS A 501 9.989 4.837 5.833 1.00 15.00 H new ATOM 0 HE2 LYS A 501 8.664 6.877 5.676 1.00 15.00 H new ATOM 0 HE3 LYS A 501 8.094 6.691 7.322 1.00 15.00 H new ATOM 0 HZ1 LYS A 501 9.862 8.313 7.185 1.00 15.00 H new ATOM 0 HZ2 LYS A 501 10.366 6.983 8.113 1.00 15.00 H new ATOM 0 HZ3 LYS A 501 10.918 7.163 6.517 1.00 15.00 H new ATOM 396 N THR A 502 4.328 1.785 6.748 1.00 15.00 N ATOM 397 CA THR A 502 4.107 0.359 6.572 1.00 15.00 C ATOM 398 C THR A 502 3.214 0.104 5.354 1.00 15.00 C ATOM 399 O THR A 502 2.382 0.941 4.999 1.00 15.00 O ATOM 400 CB THR A 502 3.439 -0.248 7.827 1.00 15.00 C ATOM 401 OG1 THR A 502 4.155 0.149 9.004 1.00 15.00 O ATOM 402 CG2 THR A 502 3.399 -1.768 7.753 1.00 15.00 C ATOM 0 H THR A 502 3.473 2.342 6.740 1.00 15.00 H new ATOM 0 HA THR A 502 5.076 -0.115 6.417 1.00 15.00 H new ATOM 0 HB THR A 502 2.415 0.124 7.872 1.00 15.00 H new ATOM 0 HG1 THR A 502 3.722 0.933 9.402 1.00 15.00 H new ATOM 0 HG21 THR A 502 2.923 -2.164 8.650 1.00 15.00 H new ATOM 0 HG22 THR A 502 2.830 -2.075 6.875 1.00 15.00 H new ATOM 0 HG23 THR A 502 4.415 -2.156 7.680 1.00 15.00 H new ATOM 410 N THR A 503 3.404 -1.034 4.702 1.00 15.00 N ATOM 411 CA THR A 503 2.543 -1.423 3.600 1.00 15.00 C ATOM 412 C THR A 503 1.851 -2.752 3.913 1.00 15.00 C ATOM 413 O THR A 503 2.445 -3.650 4.512 1.00 15.00 O ATOM 414 CB THR A 503 3.315 -1.502 2.262 1.00 15.00 C ATOM 415 OG1 THR A 503 2.435 -1.908 1.209 1.00 15.00 O ATOM 416 CG2 THR A 503 4.495 -2.460 2.341 1.00 15.00 C ATOM 0 H THR A 503 4.145 -1.701 4.918 1.00 15.00 H new ATOM 0 HA THR A 503 1.783 -0.650 3.483 1.00 15.00 H new ATOM 0 HB THR A 503 3.706 -0.506 2.053 1.00 15.00 H new ATOM 0 HG1 THR A 503 1.550 -1.512 1.351 1.00 15.00 H new ATOM 0 HG21 THR A 503 5.009 -2.485 1.380 1.00 15.00 H new ATOM 0 HG22 THR A 503 5.186 -2.123 3.113 1.00 15.00 H new ATOM 0 HG23 THR A 503 4.136 -3.460 2.586 1.00 15.00 H new ATOM 424 N THR A 504 0.584 -2.851 3.534 1.00 15.00 N ATOM 425 CA THR A 504 -0.241 -4.002 3.865 1.00 15.00 C ATOM 426 C THR A 504 -1.298 -4.234 2.783 1.00 15.00 C ATOM 427 O THR A 504 -1.725 -3.293 2.117 1.00 15.00 O ATOM 428 CB THR A 504 -0.920 -3.813 5.235 1.00 15.00 C ATOM 429 OG1 THR A 504 -1.784 -4.921 5.521 1.00 15.00 O ATOM 430 CG2 THR A 504 -1.709 -2.515 5.265 1.00 15.00 C ATOM 0 H THR A 504 0.101 -2.136 2.989 1.00 15.00 H new ATOM 0 HA THR A 504 0.407 -4.877 3.917 1.00 15.00 H new ATOM 0 HB THR A 504 -0.144 -3.766 5.999 1.00 15.00 H new ATOM 0 HG1 THR A 504 -2.606 -4.594 5.943 1.00 15.00 H new ATOM 0 HG21 THR A 504 -2.181 -2.399 6.240 1.00 15.00 H new ATOM 0 HG22 THR A 504 -1.037 -1.676 5.085 1.00 15.00 H new ATOM 0 HG23 THR A 504 -2.476 -2.537 4.491 1.00 15.00 H new ATOM 438 N TRP A 505 -1.693 -5.488 2.594 1.00 15.00 N ATOM 439 CA TRP A 505 -2.636 -5.846 1.536 1.00 15.00 C ATOM 440 C TRP A 505 -4.086 -5.524 1.919 1.00 15.00 C ATOM 441 O TRP A 505 -4.651 -4.531 1.463 1.00 15.00 O ATOM 442 CB TRP A 505 -2.502 -7.333 1.188 1.00 15.00 C ATOM 443 CG TRP A 505 -1.159 -7.688 0.624 1.00 15.00 C ATOM 444 CD1 TRP A 505 -0.169 -8.401 1.237 1.00 15.00 C ATOM 445 CD2 TRP A 505 -0.659 -7.335 -0.670 1.00 15.00 C ATOM 446 NE1 TRP A 505 0.915 -8.516 0.400 1.00 15.00 N ATOM 447 CE2 TRP A 505 0.640 -7.868 -0.776 1.00 15.00 C ATOM 448 CE3 TRP A 505 -1.184 -6.622 -1.748 1.00 15.00 C ATOM 449 CZ2 TRP A 505 1.419 -7.707 -1.920 1.00 15.00 C ATOM 450 CZ3 TRP A 505 -0.411 -6.464 -2.880 1.00 15.00 C ATOM 451 CH2 TRP A 505 0.877 -7.001 -2.960 1.00 15.00 C ATOM 0 H TRP A 505 -1.376 -6.276 3.159 1.00 15.00 H new ATOM 0 HA TRP A 505 -2.387 -5.243 0.663 1.00 15.00 H new ATOM 0 HB2 TRP A 505 -2.681 -7.927 2.084 1.00 15.00 H new ATOM 0 HB3 TRP A 505 -3.274 -7.602 0.467 1.00 15.00 H new ATOM 0 HD1 TRP A 505 -0.229 -8.814 2.233 1.00 15.00 H new ATOM 0 HE1 TRP A 505 1.783 -9.004 0.619 1.00 15.00 H new ATOM 0 HE3 TRP A 505 -2.177 -6.201 -1.697 1.00 15.00 H new ATOM 0 HZ2 TRP A 505 2.413 -8.124 -1.984 1.00 15.00 H new ATOM 0 HZ3 TRP A 505 -0.809 -5.915 -3.720 1.00 15.00 H new ATOM 0 HH2 TRP A 505 1.456 -6.856 -3.860 1.00 15.00 H new ATOM 462 N GLU A 506 -4.676 -6.355 2.772 1.00 15.00 N ATOM 463 CA GLU A 506 -6.083 -6.205 3.141 1.00 15.00 C ATOM 464 C GLU A 506 -6.233 -5.367 4.372 1.00 15.00 C ATOM 465 O GLU A 506 -5.933 -5.792 5.487 1.00 15.00 O ATOM 466 CB GLU A 506 -6.762 -7.571 3.301 1.00 15.00 C ATOM 467 CG GLU A 506 -6.013 -8.542 4.201 1.00 15.00 C ATOM 468 CD GLU A 506 -6.752 -9.853 4.372 1.00 15.00 C ATOM 469 OE1 GLU A 506 -7.650 -9.923 5.240 1.00 15.00 O1- ATOM 470 OE2 GLU A 506 -6.448 -10.814 3.638 1.00 15.00 O ATOM 0 H GLU A 506 -4.204 -7.139 3.222 1.00 15.00 H new ATOM 0 HA GLU A 506 -6.588 -5.683 2.328 1.00 15.00 H new ATOM 0 HB2 GLU A 506 -7.764 -7.421 3.703 1.00 15.00 H new ATOM 0 HB3 GLU A 506 -6.878 -8.023 2.316 1.00 15.00 H new ATOM 0 HG2 GLU A 506 -5.026 -8.736 3.781 1.00 15.00 H new ATOM 0 HG3 GLU A 506 -5.859 -8.084 5.178 1.00 15.00 H new ATOM 477 N ASP A 507 -6.715 -4.159 4.149 1.00 15.00 N ATOM 478 CA ASP A 507 -6.786 -3.187 5.202 1.00 15.00 C ATOM 479 C ASP A 507 -7.925 -2.156 4.962 1.00 15.00 C ATOM 480 O ASP A 507 -8.772 -2.408 4.104 1.00 15.00 O ATOM 481 CB ASP A 507 -5.394 -2.553 5.384 1.00 15.00 C ATOM 482 CG ASP A 507 -4.695 -3.028 6.650 1.00 15.00 C ATOM 483 OD1 ASP A 507 -3.999 -4.060 6.604 1.00 15.00 O1- ATOM 484 OD2 ASP A 507 -4.835 -2.368 7.700 1.00 15.00 O ATOM 0 H ASP A 507 -7.061 -3.836 3.246 1.00 15.00 H new ATOM 0 HA ASP A 507 -7.055 -3.671 6.141 1.00 15.00 H new ATOM 0 HB2 ASP A 507 -4.774 -2.792 4.520 1.00 15.00 H new ATOM 0 HB3 ASP A 507 -5.494 -1.468 5.414 1.00 15.00 H new ATOM 585 N LEU B 928 4.127 -10.625 1.217 1.00 15.00 N ATOM 586 CA LEU B 928 4.252 -9.191 1.403 1.00 15.00 C ATOM 587 C LEU B 928 5.711 -8.779 1.244 1.00 15.00 C ATOM 588 O LEU B 928 6.582 -9.269 1.967 1.00 15.00 O ATOM 589 CB LEU B 928 3.736 -8.789 2.790 1.00 15.00 C ATOM 590 CG LEU B 928 3.840 -7.298 3.127 1.00 15.00 C ATOM 591 CD1 LEU B 928 2.945 -6.471 2.217 1.00 15.00 C ATOM 592 CD2 LEU B 928 3.480 -7.062 4.584 1.00 15.00 C ATOM 0 HA LEU B 928 3.653 -8.680 0.649 1.00 15.00 H new ATOM 0 HB2 LEU B 928 2.691 -9.090 2.871 1.00 15.00 H new ATOM 0 HB3 LEU B 928 4.289 -9.353 3.541 1.00 15.00 H new ATOM 0 HG LEU B 928 4.870 -6.982 2.965 1.00 15.00 H new ATOM 0 HD11 LEU B 928 3.037 -5.416 2.477 1.00 15.00 H new ATOM 0 HD12 LEU B 928 3.247 -6.617 1.180 1.00 15.00 H new ATOM 0 HD13 LEU B 928 1.909 -6.786 2.341 1.00 15.00 H new ATOM 0 HD21 LEU B 928 3.558 -5.999 4.810 1.00 15.00 H new ATOM 0 HD22 LEU B 928 2.459 -7.398 4.766 1.00 15.00 H new ATOM 0 HD23 LEU B 928 4.164 -7.620 5.223 1.00 15.00 H new ATOM 604 N PRO B 929 6.005 -7.905 0.277 1.00 15.00 N ATOM 605 CA PRO B 929 7.353 -7.391 0.068 1.00 15.00 C ATOM 606 C PRO B 929 7.711 -6.324 1.098 1.00 15.00 C ATOM 607 O PRO B 929 6.902 -5.440 1.384 1.00 15.00 O ATOM 608 CB PRO B 929 7.302 -6.773 -1.340 1.00 15.00 C ATOM 609 CG PRO B 929 5.944 -7.085 -1.885 1.00 15.00 C ATOM 610 CD PRO B 929 5.062 -7.349 -0.701 1.00 15.00 C ATOM 0 HA PRO B 929 8.107 -8.171 0.169 1.00 15.00 H new ATOM 0 HB2 PRO B 929 7.467 -5.696 -1.299 1.00 15.00 H new ATOM 0 HB3 PRO B 929 8.082 -7.190 -1.977 1.00 15.00 H new ATOM 0 HG2 PRO B 929 5.562 -6.252 -2.476 1.00 15.00 H new ATOM 0 HG3 PRO B 929 5.980 -7.953 -2.544 1.00 15.00 H new ATOM 0 HD2 PRO B 929 4.588 -6.438 -0.336 1.00 15.00 H new ATOM 0 HD3 PRO B 929 4.262 -8.051 -0.939 1.00 15.00 H new ATOM 618 N PRO B 930 8.920 -6.401 1.682 1.00 15.00 N ATOM 619 CA PRO B 930 9.430 -5.357 2.577 1.00 15.00 C ATOM 620 C PRO B 930 9.372 -4.003 1.887 1.00 15.00 C ATOM 621 O PRO B 930 9.761 -3.890 0.721 1.00 15.00 O ATOM 622 CB PRO B 930 10.885 -5.773 2.847 1.00 15.00 C ATOM 623 CG PRO B 930 11.194 -6.844 1.850 1.00 15.00 C ATOM 624 CD PRO B 930 9.882 -7.495 1.512 1.00 15.00 C ATOM 0 HA PRO B 930 8.850 -5.262 3.495 1.00 15.00 H new ATOM 0 HB2 PRO B 930 11.561 -4.926 2.733 1.00 15.00 H new ATOM 0 HB3 PRO B 930 11.004 -6.141 3.866 1.00 15.00 H new ATOM 0 HG2 PRO B 930 11.661 -6.423 0.959 1.00 15.00 H new ATOM 0 HG3 PRO B 930 11.894 -7.570 2.263 1.00 15.00 H new ATOM 0 HD2 PRO B 930 9.875 -7.885 0.494 1.00 15.00 H new ATOM 0 HD3 PRO B 930 9.663 -8.332 2.175 1.00 15.00 H new ATOM 632 N TYR B 931 8.895 -2.979 2.593 1.00 15.00 N ATOM 633 CA TYR B 931 8.579 -1.714 1.948 1.00 15.00 C ATOM 634 C TYR B 931 9.800 -1.139 1.236 1.00 15.00 C ATOM 635 O TYR B 931 10.829 -0.840 1.846 1.00 15.00 O ATOM 636 CB TYR B 931 8.041 -0.721 2.993 1.00 15.00 C ATOM 637 CG TYR B 931 7.643 0.641 2.449 1.00 15.00 C ATOM 638 CD1 TYR B 931 6.955 0.772 1.245 1.00 15.00 C ATOM 639 CD2 TYR B 931 7.947 1.801 3.154 1.00 15.00 C ATOM 640 CE1 TYR B 931 6.586 2.016 0.766 1.00 15.00 C ATOM 641 CE2 TYR B 931 7.578 3.046 2.682 1.00 15.00 C ATOM 642 CZ TYR B 931 6.900 3.148 1.489 1.00 15.00 C ATOM 643 OH TYR B 931 6.526 4.388 1.019 1.00 15.00 O ATOM 0 H TYR B 931 8.722 -3.003 3.598 1.00 15.00 H new ATOM 0 HA TYR B 931 7.812 -1.889 1.194 1.00 15.00 H new ATOM 0 HB2 TYR B 931 7.174 -1.167 3.481 1.00 15.00 H new ATOM 0 HB3 TYR B 931 8.801 -0.579 3.761 1.00 15.00 H new ATOM 0 HD1 TYR B 931 6.706 -0.112 0.676 1.00 15.00 H new ATOM 0 HD2 TYR B 931 8.482 1.727 4.089 1.00 15.00 H new ATOM 0 HE1 TYR B 931 6.054 2.101 -0.170 1.00 15.00 H new ATOM 0 HE2 TYR B 931 7.820 3.934 3.246 1.00 15.00 H new ATOM 0 HH TYR B 931 6.823 5.079 1.647 1.00 15.00 H new ATOM 653 N GLU B 932 9.643 -0.989 -0.064 1.00 15.00 N ATOM 654 CA GLU B 932 10.589 -0.302 -0.914 1.00 15.00 C ATOM 655 C GLU B 932 9.922 0.990 -1.328 1.00 15.00 C ATOM 656 O GLU B 932 8.765 0.952 -1.749 1.00 15.00 O ATOM 657 CB GLU B 932 10.881 -1.158 -2.151 1.00 15.00 C ATOM 658 CG GLU B 932 12.082 -0.705 -2.960 1.00 15.00 C ATOM 659 CD GLU B 932 13.370 -1.336 -2.479 1.00 15.00 C ATOM 660 OE1 GLU B 932 13.608 -2.518 -2.803 1.00 15.00 O1- ATOM 661 OE2 GLU B 932 14.154 -0.656 -1.785 1.00 15.00 O ATOM 0 H GLU B 932 8.834 -1.351 -0.569 1.00 15.00 H new ATOM 0 HA GLU B 932 11.532 -0.115 -0.400 1.00 15.00 H new ATOM 0 HB2 GLU B 932 11.040 -2.189 -1.835 1.00 15.00 H new ATOM 0 HB3 GLU B 932 10.002 -1.154 -2.796 1.00 15.00 H new ATOM 0 HG2 GLU B 932 11.926 -0.957 -4.009 1.00 15.00 H new ATOM 0 HG3 GLU B 932 12.168 0.380 -2.902 1.00 15.00 H new ATOM 668 N THR B 933 10.583 2.129 -1.218 1.00 15.00 N ATOM 669 CA THR B 933 9.882 3.346 -1.551 1.00 15.00 C ATOM 670 C THR B 933 9.657 3.439 -3.051 1.00 15.00 C ATOM 671 O THR B 933 10.587 3.454 -3.861 1.00 15.00 O ATOM 672 CB THR B 933 10.566 4.628 -1.051 1.00 15.00 C ATOM 673 OG1 THR B 933 11.012 4.457 0.305 1.00 15.00 O ATOM 674 CG2 THR B 933 9.578 5.791 -1.122 1.00 15.00 C ATOM 0 H THR B 933 11.552 2.233 -0.917 1.00 15.00 H new ATOM 0 HA THR B 933 8.929 3.282 -1.026 1.00 15.00 H new ATOM 0 HB THR B 933 11.429 4.840 -1.682 1.00 15.00 H new ATOM 0 HG1 THR B 933 11.448 5.279 0.612 1.00 15.00 H new ATOM 0 HG21 THR B 933 10.062 6.701 -0.768 1.00 15.00 H new ATOM 0 HG22 THR B 933 9.253 5.930 -2.153 1.00 15.00 H new ATOM 0 HG23 THR B 933 8.713 5.572 -0.496 1.00 15.00 H new ATOM 682 N PHE B 934 8.393 3.493 -3.375 1.00 15.00 N ATOM 683 CA PHE B 934 7.897 3.679 -4.716 1.00 15.00 C ATOM 684 C PHE B 934 7.599 5.167 -4.881 1.00 15.00 C ATOM 685 O PHE B 934 7.850 5.938 -3.952 1.00 15.00 O ATOM 686 CB PHE B 934 6.652 2.817 -4.943 1.00 15.00 C ATOM 687 CG PHE B 934 5.469 3.338 -4.211 1.00 15.00 C ATOM 688 CD1 PHE B 934 5.294 3.089 -2.861 1.00 15.00 C ATOM 689 CD2 PHE B 934 4.560 4.133 -4.869 1.00 15.00 C ATOM 690 CE1 PHE B 934 4.232 3.639 -2.190 1.00 15.00 C ATOM 691 CE2 PHE B 934 3.494 4.673 -4.210 1.00 15.00 C ATOM 692 CZ PHE B 934 3.334 4.432 -2.870 1.00 15.00 C ATOM 0 H PHE B 934 7.648 3.405 -2.684 1.00 15.00 H new ATOM 0 HA PHE B 934 8.630 3.367 -5.460 1.00 15.00 H new ATOM 0 HB2 PHE B 934 6.429 2.777 -6.009 1.00 15.00 H new ATOM 0 HB3 PHE B 934 6.856 1.796 -4.621 1.00 15.00 H new ATOM 0 HD1 PHE B 934 5.996 2.460 -2.334 1.00 15.00 H new ATOM 0 HD2 PHE B 934 4.692 4.333 -5.922 1.00 15.00 H new ATOM 0 HE1 PHE B 934 4.100 3.452 -1.135 1.00 15.00 H new ATOM 0 HE2 PHE B 934 2.781 5.286 -4.741 1.00 15.00 H new ATOM 0 HZ PHE B 934 2.498 4.867 -2.343 1.00 15.00 H new ATOM 702 N GLU B 935 7.098 5.571 -6.041 1.00 15.00 N ATOM 703 CA GLU B 935 6.938 6.988 -6.376 1.00 15.00 C ATOM 704 C GLU B 935 6.261 7.766 -5.246 1.00 15.00 C ATOM 705 O GLU B 935 5.175 7.420 -4.779 1.00 15.00 O ATOM 706 CB GLU B 935 6.084 7.126 -7.644 1.00 15.00 C ATOM 707 CG GLU B 935 4.793 6.300 -7.631 1.00 15.00 C ATOM 708 CD GLU B 935 4.973 4.940 -8.297 1.00 15.00 C ATOM 709 OE1 GLU B 935 5.801 4.135 -7.822 1.00 15.00 O1- ATOM 710 OE2 GLU B 935 4.313 4.684 -9.327 1.00 15.00 O ATOM 0 H GLU B 935 6.791 4.933 -6.775 1.00 15.00 H new ATOM 0 HA GLU B 935 7.934 7.401 -6.534 1.00 15.00 H new ATOM 0 HB2 GLU B 935 5.827 8.176 -7.782 1.00 15.00 H new ATOM 0 HB3 GLU B 935 6.683 6.828 -8.505 1.00 15.00 H new ATOM 0 HG2 GLU B 935 4.465 6.158 -6.601 1.00 15.00 H new ATOM 0 HG3 GLU B 935 4.005 6.852 -8.143 1.00 15.00 H new ATOM 717 N ASP B 936 6.945 8.818 -4.804 1.00 15.00 N ATOM 718 CA ASP B 936 6.491 9.620 -3.678 1.00 15.00 C ATOM 719 C ASP B 936 5.301 10.474 -4.079 1.00 15.00 C ATOM 720 O ASP B 936 5.277 11.071 -5.159 1.00 15.00 O ATOM 721 CB ASP B 936 7.627 10.498 -3.149 1.00 15.00 C ATOM 722 CG ASP B 936 7.273 11.186 -1.843 1.00 15.00 C ATOM 723 OD1 ASP B 936 6.335 10.733 -1.152 1.00 15.00 O ATOM 724 OD2 ASP B 936 7.952 12.172 -1.481 1.00 15.00 O1- ATOM 0 H ASP B 936 7.823 9.135 -5.215 1.00 15.00 H new ATOM 0 HA ASP B 936 6.179 8.946 -2.880 1.00 15.00 H new ATOM 0 HB2 ASP B 936 8.517 9.886 -3.003 1.00 15.00 H new ATOM 0 HB3 ASP B 936 7.877 11.251 -3.896 1.00 15.00 H new ATOM 729 N LEU B 937 4.337 10.552 -3.183 1.00 15.00 N ATOM 730 CA LEU B 937 3.063 11.184 -3.468 1.00 15.00 C ATOM 731 C LEU B 937 3.133 12.683 -3.223 1.00 15.00 C ATOM 732 O LEU B 937 3.132 13.145 -2.080 1.00 15.00 O ATOM 733 CB LEU B 937 1.948 10.541 -2.629 1.00 15.00 C ATOM 734 CG LEU B 937 1.664 9.065 -2.933 1.00 15.00 C ATOM 735 CD1 LEU B 937 1.488 8.840 -4.429 1.00 15.00 C ATOM 736 CD2 LEU B 937 2.765 8.171 -2.372 1.00 15.00 C ATOM 0 H LEU B 937 4.414 10.179 -2.237 1.00 15.00 H new ATOM 0 HA LEU B 937 2.831 11.030 -4.522 1.00 15.00 H new ATOM 0 HB2 LEU B 937 2.210 10.633 -1.575 1.00 15.00 H new ATOM 0 HB3 LEU B 937 1.030 11.109 -2.780 1.00 15.00 H new ATOM 0 HG LEU B 937 0.729 8.795 -2.442 1.00 15.00 H new ATOM 0 HD11 LEU B 937 1.288 7.785 -4.617 1.00 15.00 H new ATOM 0 HD12 LEU B 937 0.652 9.438 -4.791 1.00 15.00 H new ATOM 0 HD13 LEU B 937 2.398 9.135 -4.951 1.00 15.00 H new ATOM 0 HD21 LEU B 937 2.540 7.129 -2.601 1.00 15.00 H new ATOM 0 HD22 LEU B 937 3.720 8.443 -2.822 1.00 15.00 H new ATOM 0 HD23 LEU B 937 2.823 8.300 -1.291 1.00 15.00 H new