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 -160:sc= -0.469 (180deg=-1.42!) USER MOD Single : A 490 ASN : amide:sc= -5.64! C(o=-5.6!,f=-15!) USER MOD Single : A 496 TYR OH : rot 180:sc= -1.05 USER MOD Single : A 498 HIS : no HD1:sc= -3.94 K(o=-3.9,f=-6.6!) USER MOD Single : A 499 ASN : amide:sc= -0.153 X(o=-0.15,f=-0.16) USER MOD Single : A 500 THR OG1 : rot -50:sc= -0.452 USER MOD Single : A 501 LYS NZ :NH3+ 171:sc=-0.00687 (180deg=-0.093) USER MOD Single : A 502 THR OG1 : rot 180:sc= 0 USER MOD Single : A 503 THR OG1 : rot 180:sc= 0.0752 USER MOD Single : A 504 THR OG1 : rot 180:sc= 0 USER MOD Single : B 206 ASN : amide:sc= 0.257 K(o=0.26,f=-0.6) USER MOD ----------------------------------------------------------------- ATOM 29 N PHE A 478 -11.013 -0.136 3.012 1.00 15.00 N ATOM 30 CA PHE A 478 -10.912 0.183 1.581 1.00 15.00 C ATOM 31 C PHE A 478 -10.406 -1.119 1.024 1.00 15.00 C ATOM 32 O PHE A 478 -10.808 -1.634 -0.014 1.00 15.00 O ATOM 33 CB PHE A 478 -9.685 0.978 1.108 1.00 15.00 C ATOM 34 CG PHE A 478 -9.018 1.872 2.074 1.00 15.00 C ATOM 35 CD1 PHE A 478 -9.600 2.322 3.240 1.00 15.00 C ATOM 36 CD2 PHE A 478 -7.656 2.057 1.881 1.00 15.00 C ATOM 37 CE1 PHE A 478 -8.821 2.928 4.193 1.00 15.00 C ATOM 38 CE2 PHE A 478 -6.910 2.685 2.794 1.00 15.00 C ATOM 39 CZ PHE A 478 -7.472 3.105 3.947 1.00 15.00 C ATOM 0 HA PHE A 478 -11.847 0.679 1.322 1.00 15.00 H new ATOM 0 HB2 PHE A 478 -8.944 0.264 0.749 1.00 15.00 H new ATOM 0 HB3 PHE A 478 -9.988 1.580 0.252 1.00 15.00 H new ATOM 0 HD1 PHE A 478 -10.661 2.198 3.402 1.00 15.00 H new ATOM 0 HD2 PHE A 478 -7.192 1.687 0.978 1.00 15.00 H new ATOM 0 HE1 PHE A 478 -9.256 3.262 5.123 1.00 15.00 H new ATOM 0 HE2 PHE A 478 -5.860 2.856 2.610 1.00 15.00 H new ATOM 0 HZ PHE A 478 -6.857 3.588 4.691 1.00 15.00 H new ATOM 49 N LEU A 479 -9.458 -1.598 1.833 1.00 15.00 N ATOM 50 CA LEU A 479 -8.186 -2.095 1.369 1.00 15.00 C ATOM 51 C LEU A 479 -7.891 -3.473 1.973 1.00 15.00 C ATOM 52 O LEU A 479 -8.166 -3.705 3.149 1.00 15.00 O ATOM 53 CB LEU A 479 -7.134 -0.991 1.752 1.00 15.00 C ATOM 54 CG LEU A 479 -5.759 -1.088 1.103 1.00 15.00 C ATOM 55 CD1 LEU A 479 -5.791 -0.377 -0.226 1.00 15.00 C ATOM 56 CD2 LEU A 479 -4.687 -0.451 1.962 1.00 15.00 C ATOM 0 H LEU A 479 -9.567 -1.647 2.846 1.00 15.00 H new ATOM 0 HA LEU A 479 -8.163 -2.261 0.292 1.00 15.00 H new ATOM 0 HB2 LEU A 479 -7.558 -0.018 1.502 1.00 15.00 H new ATOM 0 HB3 LEU A 479 -7.000 -1.012 2.834 1.00 15.00 H new ATOM 0 HG LEU A 479 -5.521 -2.144 0.980 1.00 15.00 H new ATOM 0 HD11 LEU A 479 -4.810 -0.442 -0.697 1.00 15.00 H new ATOM 0 HD12 LEU A 479 -6.535 -0.845 -0.871 1.00 15.00 H new ATOM 0 HD13 LEU A 479 -6.051 0.670 -0.072 1.00 15.00 H new ATOM 0 HD21 LEU A 479 -3.721 -0.541 1.465 1.00 15.00 H new ATOM 0 HD22 LEU A 479 -4.921 0.603 2.113 1.00 15.00 H new ATOM 0 HD23 LEU A 479 -4.646 -0.956 2.927 1.00 15.00 H new ATOM 68 N PRO A 480 -7.297 -4.383 1.173 1.00 15.00 N ATOM 69 CA PRO A 480 -7.139 -5.814 1.534 1.00 15.00 C ATOM 70 C PRO A 480 -6.318 -6.036 2.821 1.00 15.00 C ATOM 71 O PRO A 480 -5.746 -5.098 3.381 1.00 15.00 O ATOM 72 CB PRO A 480 -6.367 -6.408 0.343 1.00 15.00 C ATOM 73 CG PRO A 480 -6.380 -5.392 -0.750 1.00 15.00 C ATOM 74 CD PRO A 480 -6.709 -4.063 -0.140 1.00 15.00 C ATOM 0 HA PRO A 480 -8.111 -6.269 1.726 1.00 15.00 H new ATOM 0 HB2 PRO A 480 -5.344 -6.649 0.631 1.00 15.00 H new ATOM 0 HB3 PRO A 480 -6.831 -7.336 0.010 1.00 15.00 H new ATOM 0 HG2 PRO A 480 -5.411 -5.354 -1.247 1.00 15.00 H new ATOM 0 HG3 PRO A 480 -7.117 -5.657 -1.508 1.00 15.00 H new ATOM 0 HD2 PRO A 480 -5.817 -3.446 -0.033 1.00 15.00 H new ATOM 0 HD3 PRO A 480 -7.410 -3.506 -0.761 1.00 15.00 H new ATOM 82 N PRO A 481 -6.228 -7.298 3.292 1.00 15.00 N ATOM 83 CA PRO A 481 -5.401 -7.679 4.450 1.00 15.00 C ATOM 84 C PRO A 481 -3.908 -7.824 4.100 1.00 15.00 C ATOM 85 O PRO A 481 -3.211 -8.692 4.633 1.00 15.00 O ATOM 86 CB PRO A 481 -5.979 -9.043 4.871 1.00 15.00 C ATOM 87 CG PRO A 481 -7.178 -9.272 4.010 1.00 15.00 C ATOM 88 CD PRO A 481 -6.963 -8.456 2.774 1.00 15.00 C ATOM 0 HA PRO A 481 -5.435 -6.919 5.230 1.00 15.00 H new ATOM 0 HB2 PRO A 481 -5.244 -9.836 4.734 1.00 15.00 H new ATOM 0 HB3 PRO A 481 -6.252 -9.041 5.926 1.00 15.00 H new ATOM 0 HG2 PRO A 481 -7.286 -10.329 3.765 1.00 15.00 H new ATOM 0 HG3 PRO A 481 -8.090 -8.969 4.524 1.00 15.00 H new ATOM 0 HD2 PRO A 481 -6.390 -8.999 2.022 1.00 15.00 H new ATOM 0 HD3 PRO A 481 -7.905 -8.166 2.309 1.00 15.00 H new ATOM 96 N GLY A 482 -3.417 -6.945 3.240 1.00 15.00 N ATOM 97 CA GLY A 482 -2.011 -6.933 2.872 1.00 15.00 C ATOM 98 C GLY A 482 -1.418 -5.628 3.244 1.00 15.00 C ATOM 99 O GLY A 482 -0.240 -5.408 3.097 1.00 15.00 O ATOM 0 H GLY A 482 -3.977 -6.226 2.781 1.00 15.00 H new ATOM 0 HA2 GLY A 482 -1.484 -7.742 3.378 1.00 15.00 H new ATOM 0 HA3 GLY A 482 -1.902 -7.103 1.801 1.00 15.00 H new ATOM 103 N TRP A 483 -2.248 -4.761 3.741 1.00 15.00 N ATOM 104 CA TRP A 483 -2.094 -3.389 3.386 1.00 15.00 C ATOM 105 C TRP A 483 -1.995 -2.430 4.533 1.00 15.00 C ATOM 106 O TRP A 483 -2.580 -2.608 5.599 1.00 15.00 O ATOM 107 CB TRP A 483 -3.237 -3.054 2.457 1.00 15.00 C ATOM 108 CG TRP A 483 -3.192 -3.942 1.270 1.00 15.00 C ATOM 109 CD1 TRP A 483 -3.907 -5.060 1.032 1.00 15.00 C ATOM 110 CD2 TRP A 483 -2.310 -3.837 0.192 1.00 15.00 C ATOM 111 NE1 TRP A 483 -3.499 -5.646 -0.125 1.00 15.00 N ATOM 112 CE2 TRP A 483 -2.551 -4.915 -0.647 1.00 15.00 C ATOM 113 CE3 TRP A 483 -1.349 -2.945 -0.156 1.00 15.00 C ATOM 114 CZ2 TRP A 483 -1.894 -5.143 -1.784 1.00 15.00 C ATOM 115 CZ3 TRP A 483 -0.669 -3.164 -1.309 1.00 15.00 C ATOM 116 CH2 TRP A 483 -0.934 -4.255 -2.124 1.00 15.00 C ATOM 0 H TRP A 483 -3.018 -4.973 4.376 1.00 15.00 H new ATOM 0 HA TRP A 483 -1.125 -3.267 2.901 1.00 15.00 H new ATOM 0 HB2 TRP A 483 -4.188 -3.173 2.977 1.00 15.00 H new ATOM 0 HB3 TRP A 483 -3.172 -2.011 2.146 1.00 15.00 H new ATOM 0 HD1 TRP A 483 -4.693 -5.437 1.670 1.00 15.00 H new ATOM 0 HE1 TRP A 483 -3.871 -6.510 -0.519 1.00 15.00 H new ATOM 0 HE3 TRP A 483 -1.132 -2.088 0.465 1.00 15.00 H new ATOM 0 HZ2 TRP A 483 -2.119 -5.998 -2.405 1.00 15.00 H new ATOM 0 HZ3 TRP A 483 0.103 -2.467 -1.602 1.00 15.00 H new ATOM 0 HH2 TRP A 483 -0.370 -4.395 -3.034 1.00 15.00 H new ATOM 127 N GLU A 484 -1.226 -1.407 4.248 1.00 15.00 N ATOM 128 CA GLU A 484 -1.028 -0.277 5.131 1.00 15.00 C ATOM 129 C GLU A 484 -1.162 0.985 4.295 1.00 15.00 C ATOM 130 O GLU A 484 -0.356 1.219 3.393 1.00 15.00 O ATOM 131 CB GLU A 484 0.365 -0.364 5.777 1.00 15.00 C ATOM 132 CG GLU A 484 0.671 0.664 6.853 1.00 15.00 C ATOM 133 CD GLU A 484 -0.481 0.923 7.801 1.00 15.00 C ATOM 134 OE1 GLU A 484 -0.709 0.093 8.706 1.00 15.00 O ATOM 135 OE2 GLU A 484 -1.158 1.958 7.650 1.00 15.00 O ATOM 0 H GLU A 484 -0.706 -1.333 3.374 1.00 15.00 H new ATOM 0 HA GLU A 484 -1.766 -0.270 5.933 1.00 15.00 H new ATOM 0 HB2 GLU A 484 0.480 -1.358 6.210 1.00 15.00 H new ATOM 0 HB3 GLU A 484 1.114 -0.270 4.991 1.00 15.00 H new ATOM 0 HG2 GLU A 484 1.533 0.327 7.428 1.00 15.00 H new ATOM 0 HG3 GLU A 484 0.953 1.602 6.375 1.00 15.00 H new ATOM 142 N MET A 485 -2.191 1.769 4.561 1.00 15.00 N ATOM 143 CA MET A 485 -2.426 2.978 3.797 1.00 15.00 C ATOM 144 C MET A 485 -1.698 4.122 4.451 1.00 15.00 C ATOM 145 O MET A 485 -2.101 4.614 5.508 1.00 15.00 O ATOM 146 CB MET A 485 -3.916 3.298 3.711 1.00 15.00 C ATOM 147 CG MET A 485 -4.255 4.462 2.779 1.00 15.00 C ATOM 148 SD MET A 485 -3.898 6.089 3.476 1.00 15.00 S ATOM 149 CE MET A 485 -4.428 7.145 2.131 1.00 15.00 C ATOM 0 H MET A 485 -2.874 1.590 5.297 1.00 15.00 H new ATOM 0 HA MET A 485 -2.056 2.826 2.783 1.00 15.00 H new ATOM 0 HB2 MET A 485 -4.448 2.409 3.372 1.00 15.00 H new ATOM 0 HB3 MET A 485 -4.285 3.528 4.710 1.00 15.00 H new ATOM 0 HG2 MET A 485 -3.696 4.345 1.851 1.00 15.00 H new ATOM 0 HG3 MET A 485 -5.313 4.412 2.522 1.00 15.00 H new ATOM 0 HE1 MET A 485 -3.965 8.126 2.235 1.00 15.00 H new ATOM 0 HE2 MET A 485 -4.130 6.702 1.181 1.00 15.00 H new ATOM 0 HE3 MET A 485 -5.513 7.251 2.157 1.00 15.00 H new ATOM 159 N ARG A 486 -0.596 4.509 3.856 1.00 15.00 N ATOM 160 CA ARG A 486 0.171 5.611 4.372 1.00 15.00 C ATOM 161 C ARG A 486 0.258 6.706 3.334 1.00 15.00 C ATOM 162 O ARG A 486 0.841 6.528 2.273 1.00 15.00 O ATOM 163 CB ARG A 486 1.570 5.159 4.790 1.00 15.00 C ATOM 164 CG ARG A 486 1.566 4.008 5.779 1.00 15.00 C ATOM 165 CD ARG A 486 0.900 4.391 7.090 1.00 15.00 C ATOM 166 NE ARG A 486 1.719 5.300 7.883 1.00 15.00 N ATOM 167 CZ ARG A 486 1.254 6.049 8.876 1.00 15.00 C ATOM 168 NH1 ARG A 486 -0.039 6.038 9.183 1.00 15.00 N ATOM 169 NH2 ARG A 486 2.094 6.795 9.578 1.00 15.00 N ATOM 0 H ARG A 486 -0.213 4.077 3.016 1.00 15.00 H new ATOM 0 HA ARG A 486 -0.333 5.998 5.258 1.00 15.00 H new ATOM 0 HB2 ARG A 486 2.127 4.862 3.902 1.00 15.00 H new ATOM 0 HB3 ARG A 486 2.099 6.004 5.231 1.00 15.00 H new ATOM 0 HG2 ARG A 486 1.045 3.156 5.342 1.00 15.00 H new ATOM 0 HG3 ARG A 486 2.591 3.691 5.971 1.00 15.00 H new ATOM 0 HD2 ARG A 486 -0.062 4.860 6.883 1.00 15.00 H new ATOM 0 HD3 ARG A 486 0.697 3.490 7.669 1.00 15.00 H new ATOM 0 HE ARG A 486 2.712 5.365 7.661 1.00 15.00 H new ATOM 0 HH11 ARG A 486 -0.684 5.451 8.654 1.00 15.00 H new ATOM 0 HH12 ARG A 486 -0.387 6.617 9.948 1.00 15.00 H new ATOM 0 HH21 ARG A 486 3.089 6.791 9.354 1.00 15.00 H new ATOM 0 HH22 ARG A 486 1.746 7.373 10.342 1.00 15.00 H new ATOM 183 N ILE A 487 -0.380 7.812 3.629 1.00 15.00 N ATOM 184 CA ILE A 487 -0.207 9.027 2.866 1.00 15.00 C ATOM 185 C ILE A 487 0.930 9.798 3.485 1.00 15.00 C ATOM 186 O ILE A 487 0.887 10.196 4.649 1.00 15.00 O ATOM 187 CB ILE A 487 -1.507 9.827 2.793 1.00 15.00 C ATOM 188 CG1 ILE A 487 -1.245 11.240 2.230 1.00 15.00 C ATOM 189 CG2 ILE A 487 -2.202 9.825 4.143 1.00 15.00 C ATOM 190 CD1 ILE A 487 -2.430 12.175 2.348 1.00 15.00 C ATOM 0 H ILE A 487 -1.035 7.897 4.406 1.00 15.00 H new ATOM 0 HA ILE A 487 0.044 8.801 1.830 1.00 15.00 H new ATOM 0 HB ILE A 487 -2.194 9.350 2.094 1.00 15.00 H new ATOM 0 HG12 ILE A 487 -0.395 11.678 2.754 1.00 15.00 H new ATOM 0 HG13 ILE A 487 -0.964 11.156 1.180 1.00 15.00 H new ATOM 0 HG21 ILE A 487 -3.127 10.398 4.077 1.00 15.00 H new ATOM 0 HG22 ILE A 487 -2.431 8.799 4.433 1.00 15.00 H new ATOM 0 HG23 ILE A 487 -1.548 10.276 4.890 1.00 15.00 H new ATOM 0 HD11 ILE A 487 -2.169 13.148 1.931 1.00 15.00 H new ATOM 0 HD12 ILE A 487 -3.276 11.761 1.800 1.00 15.00 H new ATOM 0 HD13 ILE A 487 -2.699 12.291 3.398 1.00 15.00 H new ATOM 202 N ALA A 488 1.958 9.971 2.688 1.00 15.00 N ATOM 203 CA ALA A 488 3.243 10.381 3.177 1.00 15.00 C ATOM 204 C ALA A 488 3.336 11.889 3.192 1.00 15.00 C ATOM 205 O ALA A 488 2.672 12.549 2.394 1.00 15.00 O ATOM 206 CB ALA A 488 4.342 9.831 2.301 1.00 15.00 C ATOM 0 H ALA A 488 1.921 9.829 1.679 1.00 15.00 H new ATOM 0 HA ALA A 488 3.361 9.995 4.189 1.00 15.00 H new ATOM 0 HB1 ALA A 488 5.310 10.152 2.687 1.00 15.00 H new ATOM 0 HB2 ALA A 488 4.295 8.742 2.299 1.00 15.00 H new ATOM 0 HB3 ALA A 488 4.216 10.201 1.284 1.00 15.00 H new ATOM 212 N PRO A 489 4.126 12.455 4.113 1.00 15.00 N ATOM 213 CA PRO A 489 4.304 13.909 4.235 1.00 15.00 C ATOM 214 C PRO A 489 4.794 14.595 2.950 1.00 15.00 C ATOM 215 O PRO A 489 5.010 15.807 2.947 1.00 15.00 O ATOM 216 CB PRO A 489 5.354 14.057 5.346 1.00 15.00 C ATOM 217 CG PRO A 489 5.978 12.711 5.485 1.00 15.00 C ATOM 218 CD PRO A 489 4.904 11.728 5.128 1.00 15.00 C ATOM 0 HA PRO A 489 3.350 14.392 4.447 1.00 15.00 H new ATOM 0 HB2 PRO A 489 6.098 14.810 5.085 1.00 15.00 H new ATOM 0 HB3 PRO A 489 4.894 14.375 6.281 1.00 15.00 H new ATOM 0 HG2 PRO A 489 6.839 12.608 4.824 1.00 15.00 H new ATOM 0 HG3 PRO A 489 6.336 12.548 6.502 1.00 15.00 H new ATOM 0 HD2 PRO A 489 5.319 10.801 4.733 1.00 15.00 H new ATOM 0 HD3 PRO A 489 4.295 11.462 5.992 1.00 15.00 H new ATOM 226 N ASN A 490 4.974 13.847 1.856 1.00 15.00 N ATOM 227 CA ASN A 490 5.353 14.457 0.594 1.00 15.00 C ATOM 228 C ASN A 490 4.155 14.477 -0.349 1.00 15.00 C ATOM 229 O ASN A 490 4.164 15.163 -1.371 1.00 15.00 O ATOM 230 CB ASN A 490 6.568 13.749 -0.031 1.00 15.00 C ATOM 231 CG ASN A 490 6.362 12.262 -0.212 1.00 15.00 C ATOM 232 OD1 ASN A 490 5.468 11.674 0.385 1.00 15.00 O ATOM 233 ND2 ASN A 490 7.199 11.633 -1.019 1.00 15.00 N ATOM 0 H ASN A 490 4.863 12.833 1.826 1.00 15.00 H new ATOM 0 HA ASN A 490 5.658 15.487 0.779 1.00 15.00 H new ATOM 0 HB2 ASN A 490 6.785 14.200 -0.999 1.00 15.00 H new ATOM 0 HB3 ASN A 490 7.441 13.914 0.600 1.00 15.00 H new ATOM 0 HD21 ASN A 490 7.112 10.627 -1.160 1.00 15.00 H new ATOM 0 HD22 ASN A 490 7.932 12.154 -1.500 1.00 15.00 H new ATOM 240 N GLY A 491 3.125 13.703 -0.006 1.00 15.00 N ATOM 241 CA GLY A 491 1.945 13.628 -0.840 1.00 15.00 C ATOM 242 C GLY A 491 1.834 12.278 -1.497 1.00 15.00 C ATOM 243 O GLY A 491 1.324 12.151 -2.609 1.00 15.00 O ATOM 0 H GLY A 491 3.091 13.128 0.836 1.00 15.00 H new ATOM 0 HA2 GLY A 491 1.057 13.817 -0.237 1.00 15.00 H new ATOM 0 HA3 GLY A 491 1.984 14.406 -1.603 1.00 15.00 H new ATOM 247 N ARG A 492 2.326 11.265 -0.800 1.00 15.00 N ATOM 248 CA ARG A 492 2.395 9.924 -1.352 1.00 15.00 C ATOM 249 C ARG A 492 1.637 8.913 -0.500 1.00 15.00 C ATOM 250 O ARG A 492 2.130 8.485 0.530 1.00 15.00 O ATOM 251 CB ARG A 492 3.849 9.473 -1.448 1.00 15.00 C ATOM 252 CG ARG A 492 4.721 10.327 -2.343 1.00 15.00 C ATOM 253 CD ARG A 492 5.760 9.506 -3.087 1.00 15.00 C ATOM 254 NE ARG A 492 6.699 10.332 -3.850 1.00 15.00 N ATOM 255 CZ ARG A 492 7.405 9.886 -4.890 1.00 15.00 C ATOM 256 NH1 ARG A 492 7.221 8.652 -5.343 1.00 15.00 N ATOM 257 NH2 ARG A 492 8.291 10.672 -5.485 1.00 15.00 N ATOM 0 H ARG A 492 2.684 11.348 0.152 1.00 15.00 H new ATOM 0 HA ARG A 492 1.935 9.964 -2.339 1.00 15.00 H new ATOM 0 HB2 ARG A 492 4.279 9.465 -0.446 1.00 15.00 H new ATOM 0 HB3 ARG A 492 3.873 8.446 -1.814 1.00 15.00 H new ATOM 0 HG2 ARG A 492 4.094 10.854 -3.062 1.00 15.00 H new ATOM 0 HG3 ARG A 492 5.223 11.085 -1.742 1.00 15.00 H new ATOM 0 HD2 ARG A 492 6.316 8.899 -2.373 1.00 15.00 H new ATOM 0 HD3 ARG A 492 5.255 8.818 -3.765 1.00 15.00 H new ATOM 0 HE ARG A 492 6.820 11.305 -3.569 1.00 15.00 H new ATOM 0 HH11 ARG A 492 6.538 8.041 -4.896 1.00 15.00 H new ATOM 0 HH12 ARG A 492 7.763 8.315 -6.139 1.00 15.00 H new ATOM 0 HH21 ARG A 492 8.436 11.624 -5.148 1.00 15.00 H new ATOM 0 HH22 ARG A 492 8.828 10.325 -6.280 1.00 15.00 H new ATOM 271 N PRO A 493 0.422 8.539 -0.895 1.00 15.00 N ATOM 272 CA PRO A 493 -0.289 7.414 -0.296 1.00 15.00 C ATOM 273 C PRO A 493 0.040 6.140 -1.007 1.00 15.00 C ATOM 274 O PRO A 493 -0.409 5.876 -2.125 1.00 15.00 O ATOM 275 CB PRO A 493 -1.766 7.799 -0.462 1.00 15.00 C ATOM 276 CG PRO A 493 -1.724 9.191 -1.001 1.00 15.00 C ATOM 277 CD PRO A 493 -0.456 9.259 -1.798 1.00 15.00 C ATOM 0 HA PRO A 493 -0.022 7.236 0.746 1.00 15.00 H new ATOM 0 HB2 PRO A 493 -2.279 7.123 -1.146 1.00 15.00 H new ATOM 0 HB3 PRO A 493 -2.298 7.756 0.488 1.00 15.00 H new ATOM 0 HG2 PRO A 493 -2.594 9.400 -1.624 1.00 15.00 H new ATOM 0 HG3 PRO A 493 -1.725 9.926 -0.196 1.00 15.00 H new ATOM 0 HD2 PRO A 493 -0.545 8.777 -2.772 1.00 15.00 H new ATOM 0 HD3 PRO A 493 -0.127 10.282 -1.978 1.00 15.00 H new ATOM 285 N PHE A 494 0.917 5.392 -0.361 1.00 15.00 N ATOM 286 CA PHE A 494 1.435 4.196 -0.924 1.00 15.00 C ATOM 287 C PHE A 494 0.499 3.133 -0.367 1.00 15.00 C ATOM 288 O PHE A 494 0.359 3.039 0.858 1.00 15.00 O ATOM 289 CB PHE A 494 2.815 3.854 -0.349 1.00 15.00 C ATOM 290 CG PHE A 494 3.650 5.014 0.136 1.00 15.00 C ATOM 291 CD1 PHE A 494 3.424 5.448 1.430 1.00 15.00 C ATOM 292 CD2 PHE A 494 4.668 5.620 -0.590 1.00 15.00 C ATOM 293 CE1 PHE A 494 4.159 6.429 1.997 1.00 15.00 C ATOM 294 CE2 PHE A 494 5.409 6.646 -0.014 1.00 15.00 C ATOM 295 CZ PHE A 494 5.152 7.041 1.285 1.00 15.00 C ATOM 0 H PHE A 494 1.279 5.612 0.567 1.00 15.00 H new ATOM 0 HA PHE A 494 1.511 4.271 -2.009 1.00 15.00 H new ATOM 0 HB2 PHE A 494 2.676 3.163 0.482 1.00 15.00 H new ATOM 0 HB3 PHE A 494 3.381 3.323 -1.114 1.00 15.00 H new ATOM 0 HD1 PHE A 494 2.634 4.988 2.005 1.00 15.00 H new ATOM 0 HD2 PHE A 494 4.883 5.296 -1.597 1.00 15.00 H new ATOM 0 HE1 PHE A 494 3.962 6.730 3.015 1.00 15.00 H new ATOM 0 HE2 PHE A 494 6.186 7.135 -0.583 1.00 15.00 H new ATOM 0 HZ PHE A 494 5.734 7.831 1.736 1.00 15.00 H new ATOM 305 N PHE A 495 -0.154 2.359 -1.183 1.00 15.00 N ATOM 306 CA PHE A 495 -0.884 1.234 -0.650 1.00 15.00 C ATOM 307 C PHE A 495 0.108 0.055 -0.640 1.00 15.00 C ATOM 308 O PHE A 495 0.442 -0.467 -1.700 1.00 15.00 O ATOM 309 CB PHE A 495 -2.101 0.878 -1.516 1.00 15.00 C ATOM 310 CG PHE A 495 -3.184 1.924 -1.554 1.00 15.00 C ATOM 311 CD1 PHE A 495 -3.477 2.692 -0.438 1.00 15.00 C ATOM 312 CD2 PHE A 495 -3.909 2.140 -2.717 1.00 15.00 C ATOM 313 CE1 PHE A 495 -4.471 3.651 -0.482 1.00 15.00 C ATOM 314 CE2 PHE A 495 -4.901 3.098 -2.765 1.00 15.00 C ATOM 315 CZ PHE A 495 -5.182 3.855 -1.647 1.00 15.00 C ATOM 0 H PHE A 495 -0.200 2.476 -2.195 1.00 15.00 H new ATOM 0 HA PHE A 495 -1.267 1.467 0.344 1.00 15.00 H new ATOM 0 HB2 PHE A 495 -1.761 0.692 -2.535 1.00 15.00 H new ATOM 0 HB3 PHE A 495 -2.530 -0.054 -1.148 1.00 15.00 H new ATOM 0 HD1 PHE A 495 -2.922 2.539 0.476 1.00 15.00 H new ATOM 0 HD2 PHE A 495 -3.694 1.551 -3.596 1.00 15.00 H new ATOM 0 HE1 PHE A 495 -4.691 4.241 0.395 1.00 15.00 H new ATOM 0 HE2 PHE A 495 -5.457 3.255 -3.678 1.00 15.00 H new ATOM 0 HZ PHE A 495 -5.957 4.606 -1.683 1.00 15.00 H new ATOM 325 N TYR A 496 0.652 -0.311 0.520 1.00 15.00 N ATOM 326 CA TYR A 496 1.757 -1.285 0.553 1.00 15.00 C ATOM 327 C TYR A 496 1.347 -2.640 1.148 1.00 15.00 C ATOM 328 O TYR A 496 0.800 -2.717 2.251 1.00 15.00 O ATOM 329 CB TYR A 496 2.970 -0.661 1.271 1.00 15.00 C ATOM 330 CG TYR A 496 3.895 -1.626 2.005 1.00 15.00 C ATOM 331 CD1 TYR A 496 4.989 -2.217 1.373 1.00 15.00 C ATOM 332 CD2 TYR A 496 3.699 -1.906 3.350 1.00 15.00 C ATOM 333 CE1 TYR A 496 5.842 -3.054 2.064 1.00 15.00 C ATOM 334 CE2 TYR A 496 4.556 -2.734 4.044 1.00 15.00 C ATOM 335 CZ TYR A 496 5.622 -3.304 3.398 1.00 15.00 C ATOM 336 OH TYR A 496 6.478 -4.121 4.092 1.00 15.00 O ATOM 0 H TYR A 496 0.359 0.039 1.432 1.00 15.00 H new ATOM 0 HA TYR A 496 2.042 -1.512 -0.474 1.00 15.00 H new ATOM 0 HB2 TYR A 496 3.560 -0.117 0.534 1.00 15.00 H new ATOM 0 HB3 TYR A 496 2.602 0.072 1.989 1.00 15.00 H new ATOM 0 HD1 TYR A 496 5.171 -2.017 0.328 1.00 15.00 H new ATOM 0 HD2 TYR A 496 2.857 -1.466 3.864 1.00 15.00 H new ATOM 0 HE1 TYR A 496 6.680 -3.511 1.558 1.00 15.00 H new ATOM 0 HE2 TYR A 496 4.388 -2.932 5.092 1.00 15.00 H new ATOM 0 HH TYR A 496 6.180 -4.192 5.023 1.00 15.00 H new ATOM 346 N ASP A 497 1.656 -3.705 0.391 1.00 15.00 N ATOM 347 CA ASP A 497 1.260 -5.085 0.720 1.00 15.00 C ATOM 348 C ASP A 497 2.366 -5.704 1.585 1.00 15.00 C ATOM 349 O ASP A 497 3.543 -5.503 1.299 1.00 15.00 O ATOM 350 CB ASP A 497 1.149 -5.916 -0.557 1.00 15.00 C ATOM 351 CG ASP A 497 0.706 -7.340 -0.287 1.00 15.00 C ATOM 352 OD1 ASP A 497 1.568 -8.170 0.055 1.00 15.00 O ATOM 353 OD2 ASP A 497 -0.501 -7.641 -0.417 1.00 15.00 O ATOM 0 H ASP A 497 2.192 -3.633 -0.474 1.00 15.00 H new ATOM 0 HA ASP A 497 0.301 -5.074 1.238 1.00 15.00 H new ATOM 0 HB2 ASP A 497 0.440 -5.441 -1.235 1.00 15.00 H new ATOM 0 HB3 ASP A 497 2.114 -5.929 -1.063 1.00 15.00 H new ATOM 358 N HIS A 498 2.007 -6.473 2.605 1.00 15.00 N ATOM 359 CA HIS A 498 2.991 -6.977 3.568 1.00 15.00 C ATOM 360 C HIS A 498 3.373 -8.425 3.278 1.00 15.00 C ATOM 361 O HIS A 498 4.272 -8.968 3.910 1.00 15.00 O ATOM 362 CB HIS A 498 2.465 -6.871 5.008 1.00 15.00 C ATOM 363 CG HIS A 498 2.130 -5.479 5.454 1.00 15.00 C ATOM 364 ND1 HIS A 498 1.724 -4.497 4.588 1.00 15.00 N ATOM 365 CD2 HIS A 498 2.085 -4.922 6.687 1.00 15.00 C ATOM 366 CE1 HIS A 498 1.435 -3.413 5.250 1.00 15.00 C ATOM 367 NE2 HIS A 498 1.643 -3.632 6.533 1.00 15.00 N ATOM 0 H HIS A 498 1.047 -6.763 2.791 1.00 15.00 H new ATOM 0 HA HIS A 498 3.878 -6.353 3.463 1.00 15.00 H new ATOM 0 HB2 HIS A 498 1.574 -7.492 5.101 1.00 15.00 H new ATOM 0 HB3 HIS A 498 3.213 -7.284 5.685 1.00 15.00 H new ATOM 0 HD2 HIS A 498 2.348 -5.403 7.618 1.00 15.00 H new ATOM 0 HE1 HIS A 498 1.083 -2.488 4.819 1.00 15.00 H new ATOM 0 HE2 HIS A 498 1.500 -2.957 7.284 1.00 15.00 H new ATOM 376 N ASN A 499 2.697 -9.052 2.329 1.00 15.00 N ATOM 377 CA ASN A 499 2.996 -10.438 1.989 1.00 15.00 C ATOM 378 C ASN A 499 3.960 -10.477 0.811 1.00 15.00 C ATOM 379 O ASN A 499 4.682 -11.451 0.605 1.00 15.00 O ATOM 380 CB ASN A 499 1.706 -11.219 1.688 1.00 15.00 C ATOM 381 CG ASN A 499 1.541 -11.608 0.225 1.00 15.00 C ATOM 382 OD1 ASN A 499 1.944 -12.694 -0.191 1.00 15.00 O ATOM 383 ND2 ASN A 499 0.957 -10.723 -0.567 1.00 15.00 N ATOM 0 H ASN A 499 1.945 -8.631 1.784 1.00 15.00 H new ATOM 0 HA ASN A 499 3.472 -10.921 2.842 1.00 15.00 H new ATOM 0 HB2 ASN A 499 1.691 -12.123 2.297 1.00 15.00 H new ATOM 0 HB3 ASN A 499 0.850 -10.616 1.991 1.00 15.00 H new ATOM 0 HD21 ASN A 499 0.829 -10.931 -1.557 1.00 15.00 H new ATOM 0 HD22 ASN A 499 0.635 -9.833 -0.187 1.00 15.00 H new ATOM 390 N THR A 500 3.944 -9.407 0.032 1.00 15.00 N ATOM 391 CA THR A 500 4.881 -9.242 -1.063 1.00 15.00 C ATOM 392 C THR A 500 5.819 -8.069 -0.793 1.00 15.00 C ATOM 393 O THR A 500 6.779 -7.847 -1.533 1.00 15.00 O ATOM 394 CB THR A 500 4.146 -9.029 -2.402 1.00 15.00 C ATOM 395 OG1 THR A 500 3.100 -8.060 -2.243 1.00 15.00 O ATOM 396 CG2 THR A 500 3.560 -10.336 -2.916 1.00 15.00 C ATOM 0 H THR A 500 3.286 -8.635 0.141 1.00 15.00 H new ATOM 0 HA THR A 500 5.467 -10.158 -1.136 1.00 15.00 H new ATOM 0 HB THR A 500 4.870 -8.664 -3.130 1.00 15.00 H new ATOM 0 HG1 THR A 500 2.549 -8.298 -1.468 1.00 15.00 H new ATOM 0 HG21 THR A 500 3.047 -10.158 -3.861 1.00 15.00 H new ATOM 0 HG22 THR A 500 4.361 -11.059 -3.068 1.00 15.00 H new ATOM 0 HG23 THR A 500 2.851 -10.729 -2.187 1.00 15.00 H new ATOM 404 N LYS A 501 5.527 -7.326 0.278 1.00 15.00 N ATOM 405 CA LYS A 501 6.343 -6.179 0.697 1.00 15.00 C ATOM 406 C LYS A 501 6.467 -5.155 -0.425 1.00 15.00 C ATOM 407 O LYS A 501 7.486 -4.476 -0.552 1.00 15.00 O ATOM 408 CB LYS A 501 7.733 -6.638 1.139 1.00 15.00 C ATOM 409 CG LYS A 501 7.716 -7.600 2.319 1.00 15.00 C ATOM 410 CD LYS A 501 7.053 -6.964 3.529 1.00 15.00 C ATOM 411 CE LYS A 501 7.035 -7.888 4.735 1.00 15.00 C ATOM 412 NZ LYS A 501 8.401 -8.228 5.212 1.00 15.00 N ATOM 0 H LYS A 501 4.721 -7.500 0.879 1.00 15.00 H new ATOM 0 HA LYS A 501 5.841 -5.707 1.542 1.00 15.00 H new ATOM 0 HB2 LYS A 501 8.231 -7.119 0.297 1.00 15.00 H new ATOM 0 HB3 LYS A 501 8.327 -5.763 1.404 1.00 15.00 H new ATOM 0 HG2 LYS A 501 7.183 -8.510 2.044 1.00 15.00 H new ATOM 0 HG3 LYS A 501 8.736 -7.892 2.570 1.00 15.00 H new ATOM 0 HD2 LYS A 501 7.580 -6.045 3.787 1.00 15.00 H new ATOM 0 HD3 LYS A 501 6.031 -6.684 3.274 1.00 15.00 H new ATOM 0 HE2 LYS A 501 6.479 -7.414 5.544 1.00 15.00 H new ATOM 0 HE3 LYS A 501 6.505 -8.805 4.478 1.00 15.00 H new ATOM 0 HZ1 LYS A 501 8.336 -8.731 6.120 1.00 15.00 H new ATOM 0 HZ2 LYS A 501 8.872 -8.836 4.512 1.00 15.00 H new ATOM 0 HZ3 LYS A 501 8.952 -7.355 5.339 1.00 15.00 H new ATOM 426 N THR A 502 5.410 -5.006 -1.202 1.00 15.00 N ATOM 427 CA THR A 502 5.453 -4.114 -2.343 1.00 15.00 C ATOM 428 C THR A 502 4.769 -2.788 -2.028 1.00 15.00 C ATOM 429 O THR A 502 3.645 -2.750 -1.517 1.00 15.00 O ATOM 430 CB THR A 502 4.823 -4.757 -3.602 1.00 15.00 C ATOM 431 OG1 THR A 502 4.971 -3.886 -4.730 1.00 15.00 O ATOM 432 CG2 THR A 502 3.347 -5.070 -3.398 1.00 15.00 C ATOM 0 H THR A 502 4.520 -5.486 -1.065 1.00 15.00 H new ATOM 0 HA THR A 502 6.504 -3.922 -2.557 1.00 15.00 H new ATOM 0 HB THR A 502 5.349 -5.694 -3.786 1.00 15.00 H new ATOM 0 HG1 THR A 502 4.570 -4.304 -5.521 1.00 15.00 H new ATOM 0 HG21 THR A 502 2.942 -5.520 -4.304 1.00 15.00 H new ATOM 0 HG22 THR A 502 3.234 -5.765 -2.566 1.00 15.00 H new ATOM 0 HG23 THR A 502 2.807 -4.149 -3.177 1.00 15.00 H new ATOM 440 N THR A 503 5.477 -1.704 -2.293 1.00 15.00 N ATOM 441 CA THR A 503 4.900 -0.382 -2.210 1.00 15.00 C ATOM 442 C THR A 503 4.314 -0.017 -3.566 1.00 15.00 C ATOM 443 O THR A 503 5.034 0.069 -4.559 1.00 15.00 O ATOM 444 CB THR A 503 5.950 0.667 -1.779 1.00 15.00 C ATOM 445 OG1 THR A 503 7.268 0.240 -2.155 1.00 15.00 O ATOM 446 CG2 THR A 503 5.907 0.918 -0.280 1.00 15.00 C ATOM 0 H THR A 503 6.459 -1.719 -2.569 1.00 15.00 H new ATOM 0 HA THR A 503 4.116 -0.386 -1.453 1.00 15.00 H new ATOM 0 HB THR A 503 5.708 1.599 -2.290 1.00 15.00 H new ATOM 0 HG1 THR A 503 7.922 0.915 -1.877 1.00 15.00 H new ATOM 0 HG21 THR A 503 6.659 1.661 -0.014 1.00 15.00 H new ATOM 0 HG22 THR A 503 4.919 1.285 -0.001 1.00 15.00 H new ATOM 0 HG23 THR A 503 6.112 -0.012 0.251 1.00 15.00 H new ATOM 454 N THR A 504 3.008 0.156 -3.625 1.00 15.00 N ATOM 455 CA THR A 504 2.349 0.395 -4.892 1.00 15.00 C ATOM 456 C THR A 504 1.373 1.552 -4.777 1.00 15.00 C ATOM 457 O THR A 504 0.849 1.819 -3.709 1.00 15.00 O ATOM 458 CB THR A 504 1.615 -0.877 -5.379 1.00 15.00 C ATOM 459 OG1 THR A 504 1.515 -0.860 -6.807 1.00 15.00 O ATOM 460 CG2 THR A 504 0.221 -1.000 -4.777 1.00 15.00 C ATOM 0 H THR A 504 2.387 0.136 -2.816 1.00 15.00 H new ATOM 0 HA THR A 504 3.113 0.654 -5.625 1.00 15.00 H new ATOM 0 HB THR A 504 2.198 -1.737 -5.051 1.00 15.00 H new ATOM 0 HG1 THR A 504 1.051 -1.668 -7.112 1.00 15.00 H new ATOM 0 HG21 THR A 504 -0.256 -1.907 -5.147 1.00 15.00 H new ATOM 0 HG22 THR A 504 0.297 -1.047 -3.691 1.00 15.00 H new ATOM 0 HG23 THR A 504 -0.376 -0.134 -5.062 1.00 15.00 H new ATOM 468 N TRP A 505 1.160 2.271 -5.859 1.00 15.00 N ATOM 469 CA TRP A 505 0.133 3.297 -5.865 1.00 15.00 C ATOM 470 C TRP A 505 -1.070 2.768 -6.644 1.00 15.00 C ATOM 471 O TRP A 505 -2.083 3.453 -6.802 1.00 15.00 O ATOM 472 CB TRP A 505 0.636 4.601 -6.496 1.00 15.00 C ATOM 473 CG TRP A 505 2.111 4.857 -6.338 1.00 15.00 C ATOM 474 CD1 TRP A 505 3.076 4.512 -7.241 1.00 15.00 C ATOM 475 CD2 TRP A 505 2.799 5.526 -5.252 1.00 15.00 C ATOM 476 NE1 TRP A 505 4.307 4.916 -6.800 1.00 15.00 N ATOM 477 CE2 TRP A 505 4.167 5.542 -5.595 1.00 15.00 C ATOM 478 CE3 TRP A 505 2.417 6.118 -4.028 1.00 15.00 C ATOM 479 CZ2 TRP A 505 5.133 6.118 -4.784 1.00 15.00 C ATOM 480 CZ3 TRP A 505 3.384 6.685 -3.238 1.00 15.00 C ATOM 481 CH2 TRP A 505 4.722 6.685 -3.617 1.00 15.00 C ATOM 0 H TRP A 505 1.674 2.169 -6.734 1.00 15.00 H new ATOM 0 HA TRP A 505 -0.145 3.524 -4.836 1.00 15.00 H new ATOM 0 HB2 TRP A 505 0.397 4.588 -7.559 1.00 15.00 H new ATOM 0 HB3 TRP A 505 0.089 5.435 -6.056 1.00 15.00 H new ATOM 0 HD1 TRP A 505 2.894 3.994 -8.171 1.00 15.00 H new ATOM 0 HE1 TRP A 505 5.188 4.772 -7.293 1.00 15.00 H new ATOM 0 HE3 TRP A 505 1.382 6.124 -3.720 1.00 15.00 H new ATOM 0 HZ2 TRP A 505 6.175 6.117 -5.068 1.00 15.00 H new ATOM 0 HZ3 TRP A 505 3.100 7.141 -2.301 1.00 15.00 H new ATOM 0 HH2 TRP A 505 5.453 7.146 -2.969 1.00 15.00 H new ATOM 492 N GLU A 506 -0.933 1.535 -7.134 1.00 15.00 N ATOM 493 CA GLU A 506 -1.982 0.867 -7.898 1.00 15.00 C ATOM 494 C GLU A 506 -3.029 0.285 -6.959 1.00 15.00 C ATOM 495 O GLU A 506 -2.715 -0.090 -5.832 1.00 15.00 O ATOM 496 CB GLU A 506 -1.387 -0.251 -8.760 1.00 15.00 C ATOM 497 CG GLU A 506 -0.391 0.233 -9.801 1.00 15.00 C ATOM 498 CD GLU A 506 -0.964 1.303 -10.706 1.00 15.00 C ATOM 499 OE1 GLU A 506 -2.046 1.083 -11.294 1.00 15.00 O ATOM 500 OE2 GLU A 506 -0.332 2.369 -10.843 1.00 15.00 O ATOM 0 H GLU A 506 -0.091 0.973 -7.011 1.00 15.00 H new ATOM 0 HA GLU A 506 -2.454 1.604 -8.548 1.00 15.00 H new ATOM 0 HB2 GLU A 506 -0.894 -0.974 -8.110 1.00 15.00 H new ATOM 0 HB3 GLU A 506 -2.198 -0.777 -9.265 1.00 15.00 H new ATOM 0 HG2 GLU A 506 0.493 0.624 -9.298 1.00 15.00 H new ATOM 0 HG3 GLU A 506 -0.065 -0.613 -10.407 1.00 15.00 H new ATOM 507 N ASP A 507 -4.268 0.207 -7.436 1.00 15.00 N ATOM 508 CA ASP A 507 -5.377 -0.296 -6.627 1.00 15.00 C ATOM 509 C ASP A 507 -5.130 -1.750 -6.205 1.00 15.00 C ATOM 510 O ASP A 507 -5.177 -2.660 -7.014 1.00 15.00 O ATOM 511 CB ASP A 507 -6.693 -0.185 -7.400 1.00 15.00 C ATOM 512 CG ASP A 507 -7.911 -0.299 -6.503 1.00 15.00 C ATOM 513 OD1 ASP A 507 -8.001 -1.272 -5.733 1.00 15.00 O ATOM 514 OD2 ASP A 507 -8.781 0.603 -6.554 1.00 15.00 O ATOM 0 H ASP A 507 -4.531 0.486 -8.381 1.00 15.00 H new ATOM 0 HA ASP A 507 -5.445 0.315 -5.727 1.00 15.00 H new ATOM 0 HB2 ASP A 507 -6.722 0.770 -7.925 1.00 15.00 H new ATOM 0 HB3 ASP A 507 -6.731 -0.967 -8.158 1.00 15.00 H new ATOM 519 N PRO A 508 -4.884 -1.959 -4.911 1.00 15.00 N ATOM 520 CA PRO A 508 -4.510 -3.248 -4.304 1.00 15.00 C ATOM 521 C PRO A 508 -5.680 -4.128 -4.077 1.00 15.00 C ATOM 522 O PRO A 508 -5.559 -5.277 -3.708 1.00 15.00 O ATOM 523 CB PRO A 508 -3.887 -2.867 -2.973 1.00 15.00 C ATOM 524 CG PRO A 508 -4.000 -1.387 -2.872 1.00 15.00 C ATOM 525 CD PRO A 508 -4.995 -0.935 -3.888 1.00 15.00 C ATOM 0 HA PRO A 508 -3.841 -3.810 -4.956 1.00 15.00 H new ATOM 0 HB2 PRO A 508 -4.405 -3.354 -2.147 1.00 15.00 H new ATOM 0 HB3 PRO A 508 -2.845 -3.182 -2.926 1.00 15.00 H new ATOM 0 HG2 PRO A 508 -4.317 -1.096 -1.871 1.00 15.00 H new ATOM 0 HG3 PRO A 508 -3.033 -0.917 -3.049 1.00 15.00 H new ATOM 0 HD2 PRO A 508 -6.002 -0.882 -3.474 1.00 15.00 H new ATOM 0 HD3 PRO A 508 -4.757 0.055 -4.277 1.00 15.00 H new ATOM 533 N ARG A 509 -6.818 -3.572 -4.262 1.00 15.00 N ATOM 534 CA ARG A 509 -8.020 -4.231 -3.954 1.00 15.00 C ATOM 535 C ARG A 509 -8.263 -5.133 -5.119 1.00 15.00 C ATOM 536 O ARG A 509 -9.155 -5.976 -5.138 1.00 15.00 O ATOM 537 CB ARG A 509 -9.063 -3.178 -3.674 1.00 15.00 C ATOM 538 CG ARG A 509 -8.443 -2.099 -2.796 1.00 15.00 C ATOM 539 CD ARG A 509 -9.416 -0.985 -2.472 1.00 15.00 C ATOM 540 NE ARG A 509 -9.706 -0.179 -3.655 1.00 15.00 N ATOM 541 CZ ARG A 509 -10.525 0.869 -3.668 1.00 15.00 C ATOM 542 NH1 ARG A 509 -11.209 1.201 -2.578 1.00 15.00 N ATOM 543 NH2 ARG A 509 -10.664 1.581 -4.779 1.00 15.00 N ATOM 0 H ARG A 509 -6.938 -2.631 -4.638 1.00 15.00 H new ATOM 0 HA ARG A 509 -8.021 -4.851 -3.058 1.00 15.00 H new ATOM 0 HB2 ARG A 509 -9.423 -2.745 -4.607 1.00 15.00 H new ATOM 0 HB3 ARG A 509 -9.924 -3.622 -3.175 1.00 15.00 H new ATOM 0 HG2 ARG A 509 -8.089 -2.549 -1.868 1.00 15.00 H new ATOM 0 HG3 ARG A 509 -7.572 -1.681 -3.300 1.00 15.00 H new ATOM 0 HD2 ARG A 509 -10.341 -1.408 -2.081 1.00 15.00 H new ATOM 0 HD3 ARG A 509 -9.000 -0.351 -1.689 1.00 15.00 H new ATOM 0 HE ARG A 509 -9.250 -0.437 -4.530 1.00 15.00 H new ATOM 0 HH11 ARG A 509 -11.108 0.651 -1.725 1.00 15.00 H new ATOM 0 HH12 ARG A 509 -11.835 2.006 -2.594 1.00 15.00 H new ATOM 0 HH21 ARG A 509 -10.144 1.324 -5.618 1.00 15.00 H new ATOM 0 HH22 ARG A 509 -11.291 2.386 -4.794 1.00 15.00 H new ATOM 557 N LEU A 510 -7.425 -4.901 -6.124 1.00 15.00 N ATOM 558 CA LEU A 510 -7.445 -5.711 -7.302 1.00 15.00 C ATOM 559 C LEU A 510 -7.079 -7.169 -6.961 1.00 15.00 C ATOM 560 O LEU A 510 -7.531 -8.109 -7.613 1.00 15.00 O ATOM 561 CB LEU A 510 -6.528 -5.163 -8.428 1.00 15.00 C ATOM 562 CG LEU A 510 -5.005 -5.402 -8.287 1.00 15.00 C ATOM 563 CD1 LEU A 510 -4.609 -6.818 -8.693 1.00 15.00 C ATOM 564 CD2 LEU A 510 -4.227 -4.406 -9.130 1.00 15.00 C ATOM 0 H LEU A 510 -6.729 -4.155 -6.131 1.00 15.00 H new ATOM 0 HA LEU A 510 -8.464 -5.679 -7.689 1.00 15.00 H new ATOM 0 HB2 LEU A 510 -6.852 -5.604 -9.371 1.00 15.00 H new ATOM 0 HB3 LEU A 510 -6.695 -4.089 -8.505 1.00 15.00 H new ATOM 0 HG LEU A 510 -4.760 -5.265 -7.234 1.00 15.00 H new ATOM 0 HD11 LEU A 510 -3.532 -6.942 -8.578 1.00 15.00 H new ATOM 0 HD12 LEU A 510 -5.126 -7.537 -8.058 1.00 15.00 H new ATOM 0 HD13 LEU A 510 -4.885 -6.989 -9.733 1.00 15.00 H new ATOM 0 HD21 LEU A 510 -3.159 -4.590 -9.017 1.00 15.00 H new ATOM 0 HD22 LEU A 510 -4.506 -4.519 -10.177 1.00 15.00 H new ATOM 0 HD23 LEU A 510 -4.457 -3.393 -8.801 1.00 15.00 H new ATOM 701 N PRO B 205 4.944 1.731 5.863 1.00 15.00 N ATOM 702 CA PRO B 205 5.361 1.996 4.489 1.00 15.00 C ATOM 703 C PRO B 205 5.452 3.483 4.166 1.00 15.00 C ATOM 704 O PRO B 205 4.439 4.142 3.970 1.00 15.00 O ATOM 705 CB PRO B 205 4.256 1.363 3.635 1.00 15.00 C ATOM 706 CG PRO B 205 3.142 1.020 4.569 1.00 15.00 C ATOM 707 CD PRO B 205 3.742 0.892 5.931 1.00 15.00 C ATOM 0 HA PRO B 205 6.358 1.595 4.308 1.00 15.00 H new ATOM 0 HB2 PRO B 205 3.917 2.055 2.864 1.00 15.00 H new ATOM 0 HB3 PRO B 205 4.622 0.472 3.125 1.00 15.00 H new ATOM 0 HG2 PRO B 205 2.375 1.794 4.556 1.00 15.00 H new ATOM 0 HG3 PRO B 205 2.660 0.089 4.270 1.00 15.00 H new ATOM 0 HD2 PRO B 205 3.056 1.237 6.705 1.00 15.00 H new ATOM 0 HD3 PRO B 205 3.989 -0.144 6.164 1.00 15.00 H new ATOM 715 N ASN B 206 6.670 4.015 4.190 1.00 15.00 N ATOM 716 CA ASN B 206 6.919 5.380 3.738 1.00 15.00 C ATOM 717 C ASN B 206 7.912 5.367 2.583 1.00 15.00 C ATOM 718 O ASN B 206 8.072 6.352 1.882 1.00 15.00 O ATOM 719 CB ASN B 206 7.406 6.261 4.898 1.00 15.00 C ATOM 720 CG ASN B 206 7.256 7.768 4.683 1.00 15.00 C ATOM 721 OD1 ASN B 206 7.047 8.509 5.642 1.00 15.00 O ATOM 722 ND2 ASN B 206 7.373 8.243 3.455 1.00 15.00 N ATOM 0 H ASN B 206 7.500 3.522 4.518 1.00 15.00 H new ATOM 0 HA ASN B 206 5.985 5.813 3.379 1.00 15.00 H new ATOM 0 HB2 ASN B 206 6.858 5.983 5.798 1.00 15.00 H new ATOM 0 HB3 ASN B 206 8.457 6.040 5.084 1.00 15.00 H new ATOM 0 HD21 ASN B 206 7.290 9.245 3.286 1.00 15.00 H new ATOM 0 HD22 ASN B 206 7.546 7.607 2.677 1.00 15.00 H new ATOM 729 N LEU B 207 8.590 4.245 2.396 1.00 15.00 N ATOM 730 CA LEU B 207 9.540 4.117 1.301 1.00 15.00 C ATOM 731 C LEU B 207 8.830 4.236 -0.050 1.00 15.00 C ATOM 732 O LEU B 207 8.189 3.293 -0.522 1.00 15.00 O ATOM 733 CB LEU B 207 10.336 2.799 1.389 1.00 15.00 C ATOM 734 CG LEU B 207 9.511 1.500 1.430 1.00 15.00 C ATOM 735 CD1 LEU B 207 10.376 0.314 1.037 1.00 15.00 C ATOM 736 CD2 LEU B 207 8.914 1.268 2.813 1.00 15.00 C ATOM 0 H LEU B 207 8.502 3.416 2.983 1.00 15.00 H new ATOM 0 HA LEU B 207 10.254 4.936 1.388 1.00 15.00 H new ATOM 0 HB2 LEU B 207 11.009 2.749 0.533 1.00 15.00 H new ATOM 0 HB3 LEU B 207 10.959 2.836 2.283 1.00 15.00 H new ATOM 0 HG LEU B 207 8.693 1.602 0.717 1.00 15.00 H new ATOM 0 HD11 LEU B 207 9.780 -0.598 1.070 1.00 15.00 H new ATOM 0 HD12 LEU B 207 10.758 0.461 0.027 1.00 15.00 H new ATOM 0 HD13 LEU B 207 11.211 0.227 1.732 1.00 15.00 H new ATOM 0 HD21 LEU B 207 8.337 0.343 2.810 1.00 15.00 H new ATOM 0 HD22 LEU B 207 9.716 1.193 3.548 1.00 15.00 H new ATOM 0 HD23 LEU B 207 8.261 2.102 3.072 1.00 15.00 H new