USER MOD reduce.3.24.130724 H: found=0, std=0, add=363, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 369 hydrogens (2 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 307 GLN : amide:sc= -1.23! K(o=-1.7!,f=-0.56) USER MOD Set 1.2: A 309 THR OG1 : rot 45:sc= -0.513 USER MOD Single : A 290 SER OG : rot 138:sc= 1.18 USER MOD Single : A 291 THR OG1 : rot 160:sc= -0.745 USER MOD Single : A 293 SER OG : rot -30:sc= 0.0433 USER MOD Single : A 297 TYR OH : rot 180:sc= 0.775 USER MOD Single : A 301 HIS : no HE2:sc= -11.8! C(o=-12!,f=-6.4!) USER MOD Single : A 302 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 303 ASN : amide:sc=-0.00469 K(o=-0.0047,f=-0.81) USER MOD Single : A 305 THR OG1 : rot 180:sc= 0 USER MOD Single : A 306 THR OG1 : rot 45:sc= 0.076 USER MOD Single : B 222 THR OG1 : rot 180:sc= -2! USER MOD Single : B 227 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 279 -14.409 1.786 -1.286 1.00 15.00 N ATOM 2 CA LEU A 279 -15.448 2.319 -0.382 1.00 15.00 C ATOM 3 C LEU A 279 -15.347 3.839 -0.305 1.00 15.00 C ATOM 4 O LEU A 279 -16.288 4.546 -0.667 1.00 15.00 O ATOM 5 CB LEU A 279 -15.298 1.703 1.018 1.00 15.00 C ATOM 6 CG LEU A 279 -16.577 1.641 1.876 1.00 15.00 C ATOM 7 CD1 LEU A 279 -17.071 3.030 2.255 1.00 15.00 C ATOM 8 CD2 LEU A 279 -17.667 0.871 1.147 1.00 15.00 C ATOM 0 HA LEU A 279 -16.429 2.054 -0.777 1.00 15.00 H new ATOM 0 HB2 LEU A 279 -14.911 0.690 0.907 1.00 15.00 H new ATOM 0 HB3 LEU A 279 -14.547 2.273 1.564 1.00 15.00 H new ATOM 0 HG LEU A 279 -16.329 1.117 2.799 1.00 15.00 H new ATOM 0 HD11 LEU A 279 -17.974 2.943 2.859 1.00 15.00 H new ATOM 0 HD12 LEU A 279 -16.300 3.547 2.827 1.00 15.00 H new ATOM 0 HD13 LEU A 279 -17.293 3.597 1.351 1.00 15.00 H new ATOM 0 HD21 LEU A 279 -18.564 0.836 1.766 1.00 15.00 H new ATOM 0 HD22 LEU A 279 -17.896 1.368 0.205 1.00 15.00 H new ATOM 0 HD23 LEU A 279 -17.324 -0.144 0.947 1.00 15.00 H new ATOM 22 N GLY A 280 -14.210 4.345 0.163 1.00 15.00 N ATOM 23 CA GLY A 280 -14.065 5.781 0.314 1.00 15.00 C ATOM 24 C GLY A 280 -12.919 6.199 1.229 1.00 15.00 C ATOM 25 O GLY A 280 -12.037 6.941 0.796 1.00 15.00 O ATOM 0 H GLY A 280 -13.396 3.794 0.437 1.00 15.00 H new ATOM 0 HA2 GLY A 280 -13.911 6.225 -0.669 1.00 15.00 H new ATOM 0 HA3 GLY A 280 -14.996 6.190 0.706 1.00 15.00 H new ATOM 29 N PRO A 281 -12.885 5.731 2.493 1.00 15.00 N ATOM 30 CA PRO A 281 -11.937 6.237 3.487 1.00 15.00 C ATOM 31 C PRO A 281 -10.609 5.482 3.516 1.00 15.00 C ATOM 32 O PRO A 281 -10.549 4.277 3.262 1.00 15.00 O ATOM 33 CB PRO A 281 -12.700 6.007 4.788 1.00 15.00 C ATOM 34 CG PRO A 281 -13.467 4.751 4.553 1.00 15.00 C ATOM 35 CD PRO A 281 -13.776 4.706 3.076 1.00 15.00 C ATOM 0 HA PRO A 281 -11.647 7.268 3.286 1.00 15.00 H new ATOM 0 HB2 PRO A 281 -12.020 5.905 5.634 1.00 15.00 H new ATOM 0 HB3 PRO A 281 -13.364 6.842 5.012 1.00 15.00 H new ATOM 0 HG2 PRO A 281 -12.886 3.880 4.854 1.00 15.00 H new ATOM 0 HG3 PRO A 281 -14.384 4.741 5.142 1.00 15.00 H new ATOM 0 HD2 PRO A 281 -13.578 3.720 2.657 1.00 15.00 H new ATOM 0 HD3 PRO A 281 -14.825 4.931 2.881 1.00 15.00 H new ATOM 43 N LEU A 282 -9.551 6.208 3.845 1.00 15.00 N ATOM 44 CA LEU A 282 -8.225 5.628 3.991 1.00 15.00 C ATOM 45 C LEU A 282 -7.778 5.741 5.448 1.00 15.00 C ATOM 46 O LEU A 282 -7.694 6.845 5.987 1.00 15.00 O ATOM 47 CB LEU A 282 -7.224 6.341 3.074 1.00 15.00 C ATOM 48 CG LEU A 282 -5.822 5.725 3.029 1.00 15.00 C ATOM 49 CD1 LEU A 282 -5.865 4.344 2.393 1.00 15.00 C ATOM 50 CD2 LEU A 282 -4.866 6.635 2.274 1.00 15.00 C ATOM 0 H LEU A 282 -9.587 7.213 4.018 1.00 15.00 H new ATOM 0 HA LEU A 282 -8.263 4.577 3.705 1.00 15.00 H new ATOM 0 HB2 LEU A 282 -7.629 6.355 2.062 1.00 15.00 H new ATOM 0 HB3 LEU A 282 -7.137 7.379 3.396 1.00 15.00 H new ATOM 0 HG LEU A 282 -5.459 5.618 4.051 1.00 15.00 H new ATOM 0 HD11 LEU A 282 -4.860 3.923 2.370 1.00 15.00 H new ATOM 0 HD12 LEU A 282 -6.517 3.695 2.977 1.00 15.00 H new ATOM 0 HD13 LEU A 282 -6.248 4.424 1.376 1.00 15.00 H new ATOM 0 HD21 LEU A 282 -3.875 6.183 2.251 1.00 15.00 H new ATOM 0 HD22 LEU A 282 -5.225 6.774 1.254 1.00 15.00 H new ATOM 0 HD23 LEU A 282 -4.812 7.602 2.775 1.00 15.00 H new ATOM 62 N PRO A 283 -7.513 4.602 6.106 1.00 15.00 N ATOM 63 CA PRO A 283 -7.088 4.567 7.515 1.00 15.00 C ATOM 64 C PRO A 283 -5.761 5.294 7.749 1.00 15.00 C ATOM 65 O PRO A 283 -4.826 5.157 6.960 1.00 15.00 O ATOM 66 CB PRO A 283 -6.929 3.068 7.807 1.00 15.00 C ATOM 67 CG PRO A 283 -7.716 2.378 6.750 1.00 15.00 C ATOM 68 CD PRO A 283 -7.616 3.252 5.535 1.00 15.00 C ATOM 0 HA PRO A 283 -7.806 5.070 8.162 1.00 15.00 H new ATOM 0 HB2 PRO A 283 -5.881 2.770 7.775 1.00 15.00 H new ATOM 0 HB3 PRO A 283 -7.301 2.819 8.801 1.00 15.00 H new ATOM 0 HG2 PRO A 283 -7.317 1.383 6.551 1.00 15.00 H new ATOM 0 HG3 PRO A 283 -8.754 2.250 7.056 1.00 15.00 H new ATOM 0 HD2 PRO A 283 -6.745 3.003 4.929 1.00 15.00 H new ATOM 0 HD3 PRO A 283 -8.491 3.151 4.892 1.00 15.00 H new ATOM 76 N PRO A 284 -5.664 6.081 8.838 1.00 15.00 N ATOM 77 CA PRO A 284 -4.421 6.768 9.218 1.00 15.00 C ATOM 78 C PRO A 284 -3.260 5.793 9.413 1.00 15.00 C ATOM 79 O PRO A 284 -3.409 4.753 10.061 1.00 15.00 O ATOM 80 CB PRO A 284 -4.768 7.437 10.551 1.00 15.00 C ATOM 81 CG PRO A 284 -6.252 7.550 10.557 1.00 15.00 C ATOM 82 CD PRO A 284 -6.763 6.374 9.779 1.00 15.00 C ATOM 0 HA PRO A 284 -4.095 7.465 8.446 1.00 15.00 H new ATOM 0 HB2 PRO A 284 -4.415 6.842 11.394 1.00 15.00 H new ATOM 0 HB3 PRO A 284 -4.298 8.417 10.634 1.00 15.00 H new ATOM 0 HG2 PRO A 284 -6.639 7.541 11.576 1.00 15.00 H new ATOM 0 HG3 PRO A 284 -6.573 8.487 10.102 1.00 15.00 H new ATOM 0 HD2 PRO A 284 -6.973 5.524 10.428 1.00 15.00 H new ATOM 0 HD3 PRO A 284 -7.688 6.611 9.254 1.00 15.00 H new ATOM 90 N GLY A 285 -2.104 6.138 8.860 1.00 15.00 N ATOM 91 CA GLY A 285 -0.938 5.286 8.981 1.00 15.00 C ATOM 92 C GLY A 285 -0.694 4.489 7.720 1.00 15.00 C ATOM 93 O GLY A 285 0.282 3.743 7.618 1.00 15.00 O ATOM 0 H GLY A 285 -1.954 6.995 8.328 1.00 15.00 H new ATOM 0 HA2 GLY A 285 -0.062 5.897 9.200 1.00 15.00 H new ATOM 0 HA3 GLY A 285 -1.071 4.605 9.822 1.00 15.00 H new ATOM 97 N TRP A 286 -1.579 4.670 6.750 1.00 15.00 N ATOM 98 CA TRP A 286 -1.494 3.955 5.490 1.00 15.00 C ATOM 99 C TRP A 286 -0.661 4.723 4.488 1.00 15.00 C ATOM 100 O TRP A 286 -1.072 5.776 3.994 1.00 15.00 O ATOM 101 CB TRP A 286 -2.893 3.705 4.908 1.00 15.00 C ATOM 102 CG TRP A 286 -3.565 2.498 5.479 1.00 15.00 C ATOM 103 CD1 TRP A 286 -3.682 2.181 6.800 1.00 15.00 C ATOM 104 CD2 TRP A 286 -4.201 1.437 4.751 1.00 15.00 C ATOM 105 NE1 TRP A 286 -4.334 0.985 6.943 1.00 15.00 N ATOM 106 CE2 TRP A 286 -4.661 0.504 5.704 1.00 15.00 C ATOM 107 CE3 TRP A 286 -4.426 1.170 3.389 1.00 15.00 C ATOM 108 CZ2 TRP A 286 -5.321 -0.667 5.346 1.00 15.00 C ATOM 109 CZ3 TRP A 286 -5.072 0.002 3.047 1.00 15.00 C ATOM 110 CH2 TRP A 286 -5.510 -0.905 4.016 1.00 15.00 C ATOM 0 H TRP A 286 -2.369 5.312 6.815 1.00 15.00 H new ATOM 0 HA TRP A 286 -1.015 2.996 5.688 1.00 15.00 H new ATOM 0 HB2 TRP A 286 -3.517 4.580 5.091 1.00 15.00 H new ATOM 0 HB3 TRP A 286 -2.814 3.591 3.827 1.00 15.00 H new ATOM 0 HD1 TRP A 286 -3.314 2.786 7.616 1.00 15.00 H new ATOM 0 HE1 TRP A 286 -4.542 0.527 7.830 1.00 15.00 H new ATOM 0 HE3 TRP A 286 -4.100 1.864 2.629 1.00 15.00 H new ATOM 0 HZ2 TRP A 286 -5.671 -1.363 6.094 1.00 15.00 H new ATOM 0 HZ3 TRP A 286 -5.244 -0.218 2.004 1.00 15.00 H new ATOM 0 HH2 TRP A 286 -6.008 -1.812 3.706 1.00 15.00 H new ATOM 121 N GLU A 287 0.523 4.204 4.216 1.00 15.00 N ATOM 122 CA GLU A 287 1.358 4.741 3.171 1.00 15.00 C ATOM 123 C GLU A 287 1.072 3.978 1.892 1.00 15.00 C ATOM 124 O GLU A 287 1.177 2.752 1.857 1.00 15.00 O ATOM 125 CB GLU A 287 2.834 4.629 3.556 1.00 15.00 C ATOM 126 CG GLU A 287 3.459 5.943 4.003 1.00 15.00 C ATOM 127 CD GLU A 287 2.809 6.540 5.235 1.00 15.00 C ATOM 128 OE1 GLU A 287 2.865 5.910 6.309 1.00 15.00 O1- ATOM 129 OE2 GLU A 287 2.266 7.660 5.136 1.00 15.00 O ATOM 0 H GLU A 287 0.924 3.407 4.710 1.00 15.00 H new ATOM 0 HA GLU A 287 1.138 5.798 3.022 1.00 15.00 H new ATOM 0 HB2 GLU A 287 2.935 3.899 4.359 1.00 15.00 H new ATOM 0 HB3 GLU A 287 3.393 4.244 2.703 1.00 15.00 H new ATOM 0 HG2 GLU A 287 4.518 5.781 4.204 1.00 15.00 H new ATOM 0 HG3 GLU A 287 3.396 6.661 3.186 1.00 15.00 H new ATOM 136 N VAL A 288 0.684 4.683 0.849 1.00 15.00 N ATOM 137 CA VAL A 288 0.367 4.017 -0.396 1.00 15.00 C ATOM 138 C VAL A 288 1.623 3.913 -1.252 1.00 15.00 C ATOM 139 O VAL A 288 2.163 4.909 -1.734 1.00 15.00 O ATOM 140 CB VAL A 288 -0.786 4.721 -1.175 1.00 15.00 C ATOM 141 CG1 VAL A 288 -2.015 4.870 -0.294 1.00 15.00 C ATOM 142 CG2 VAL A 288 -0.375 6.080 -1.717 1.00 15.00 C ATOM 0 H VAL A 288 0.582 5.698 0.837 1.00 15.00 H new ATOM 0 HA VAL A 288 0.006 3.016 -0.157 1.00 15.00 H new ATOM 0 HB VAL A 288 -1.023 4.084 -2.027 1.00 15.00 H new ATOM 0 HG11 VAL A 288 -2.808 5.363 -0.856 1.00 15.00 H new ATOM 0 HG12 VAL A 288 -2.355 3.885 0.025 1.00 15.00 H new ATOM 0 HG13 VAL A 288 -1.764 5.469 0.582 1.00 15.00 H new ATOM 0 HG21 VAL A 288 -1.213 6.528 -2.251 1.00 15.00 H new ATOM 0 HG22 VAL A 288 -0.083 6.728 -0.891 1.00 15.00 H new ATOM 0 HG23 VAL A 288 0.467 5.960 -2.399 1.00 15.00 H new ATOM 152 N ARG A 289 2.138 2.707 -1.391 1.00 15.00 N ATOM 153 CA ARG A 289 3.320 2.520 -2.191 1.00 15.00 C ATOM 154 C ARG A 289 2.883 2.085 -3.586 1.00 15.00 C ATOM 155 O ARG A 289 2.572 0.922 -3.831 1.00 15.00 O ATOM 156 CB ARG A 289 4.301 1.539 -1.506 1.00 15.00 C ATOM 157 CG ARG A 289 5.767 1.733 -1.903 1.00 15.00 C ATOM 158 CD ARG A 289 6.056 1.339 -3.345 1.00 15.00 C ATOM 159 NE ARG A 289 7.426 1.683 -3.748 1.00 15.00 N ATOM 160 CZ ARG A 289 8.480 0.865 -3.635 1.00 15.00 C ATOM 161 NH1 ARG A 289 8.344 -0.340 -3.100 1.00 15.00 N1+ ATOM 162 NH2 ARG A 289 9.675 1.253 -4.060 1.00 15.00 N ATOM 0 H ARG A 289 1.761 1.859 -0.967 1.00 15.00 H new ATOM 0 HA ARG A 289 3.879 3.451 -2.290 1.00 15.00 H new ATOM 0 HB2 ARG A 289 4.212 1.650 -0.425 1.00 15.00 H new ATOM 0 HB3 ARG A 289 4.004 0.519 -1.747 1.00 15.00 H new ATOM 0 HG2 ARG A 289 6.041 2.778 -1.757 1.00 15.00 H new ATOM 0 HG3 ARG A 289 6.398 1.142 -1.239 1.00 15.00 H new ATOM 0 HD2 ARG A 289 5.902 0.267 -3.465 1.00 15.00 H new ATOM 0 HD3 ARG A 289 5.348 1.839 -4.006 1.00 15.00 H new ATOM 0 HE ARG A 289 7.586 2.610 -4.142 1.00 15.00 H new ATOM 0 HH11 ARG A 289 7.430 -0.651 -2.770 1.00 15.00 H new ATOM 0 HH12 ARG A 289 9.153 -0.956 -3.018 1.00 15.00 H new ATOM 0 HH21 ARG A 289 9.793 2.177 -4.475 1.00 15.00 H new ATOM 0 HH22 ARG A 289 10.476 0.627 -3.972 1.00 15.00 H new ATOM 176 N SER A 290 2.757 3.072 -4.459 1.00 15.00 N ATOM 177 CA SER A 290 2.288 2.859 -5.812 1.00 15.00 C ATOM 178 C SER A 290 3.457 2.846 -6.786 1.00 15.00 C ATOM 179 O SER A 290 4.163 3.839 -6.946 1.00 15.00 O ATOM 180 CB SER A 290 1.284 3.956 -6.172 1.00 15.00 C ATOM 181 OG SER A 290 1.576 5.153 -5.466 1.00 15.00 O ATOM 0 H SER A 290 2.979 4.044 -4.245 1.00 15.00 H new ATOM 0 HA SER A 290 1.794 1.890 -5.879 1.00 15.00 H new ATOM 0 HB2 SER A 290 1.313 4.144 -7.245 1.00 15.00 H new ATOM 0 HB3 SER A 290 0.274 3.624 -5.933 1.00 15.00 H new ATOM 0 HG SER A 290 1.472 5.921 -6.066 1.00 15.00 H new ATOM 187 N THR A 291 3.671 1.710 -7.421 1.00 15.00 N ATOM 188 CA THR A 291 4.776 1.570 -8.349 1.00 15.00 C ATOM 189 C THR A 291 4.314 1.799 -9.783 1.00 15.00 C ATOM 190 O THR A 291 3.190 1.425 -10.152 1.00 15.00 O ATOM 191 CB THR A 291 5.429 0.177 -8.237 1.00 15.00 C ATOM 192 OG1 THR A 291 4.447 -0.844 -8.439 1.00 15.00 O ATOM 193 CG2 THR A 291 6.085 -0.014 -6.877 1.00 15.00 C ATOM 0 H THR A 291 3.097 0.874 -7.312 1.00 15.00 H new ATOM 0 HA THR A 291 5.516 2.326 -8.086 1.00 15.00 H new ATOM 0 HB THR A 291 6.197 0.104 -9.007 1.00 15.00 H new ATOM 0 HG1 THR A 291 4.892 -1.682 -8.685 1.00 15.00 H new ATOM 0 HG21 THR A 291 6.537 -1.005 -6.827 1.00 15.00 H new ATOM 0 HG22 THR A 291 6.855 0.744 -6.735 1.00 15.00 H new ATOM 0 HG23 THR A 291 5.333 0.082 -6.094 1.00 15.00 H new ATOM 201 N VAL A 292 5.189 2.399 -10.590 1.00 15.00 N ATOM 202 CA VAL A 292 4.905 2.683 -11.998 1.00 15.00 C ATOM 203 C VAL A 292 4.609 1.403 -12.781 1.00 15.00 C ATOM 204 O VAL A 292 4.097 1.452 -13.898 1.00 15.00 O ATOM 205 CB VAL A 292 6.063 3.445 -12.675 1.00 15.00 C ATOM 206 CG1 VAL A 292 6.254 4.806 -12.028 1.00 15.00 C ATOM 207 CG2 VAL A 292 7.350 2.638 -12.618 1.00 15.00 C ATOM 0 H VAL A 292 6.115 2.702 -10.287 1.00 15.00 H new ATOM 0 HA VAL A 292 4.018 3.317 -12.011 1.00 15.00 H new ATOM 0 HB VAL A 292 5.805 3.595 -13.723 1.00 15.00 H new ATOM 0 HG11 VAL A 292 7.075 5.330 -12.518 1.00 15.00 H new ATOM 0 HG12 VAL A 292 5.339 5.389 -12.130 1.00 15.00 H new ATOM 0 HG13 VAL A 292 6.486 4.677 -10.971 1.00 15.00 H new ATOM 0 HG21 VAL A 292 8.151 3.196 -13.102 1.00 15.00 H new ATOM 0 HG22 VAL A 292 7.616 2.450 -11.578 1.00 15.00 H new ATOM 0 HG23 VAL A 292 7.207 1.688 -13.134 1.00 15.00 H new ATOM 217 N SER A 293 4.952 0.265 -12.181 1.00 15.00 N ATOM 218 CA SER A 293 4.634 -1.046 -12.735 1.00 15.00 C ATOM 219 C SER A 293 3.117 -1.205 -12.918 1.00 15.00 C ATOM 220 O SER A 293 2.657 -2.130 -13.584 1.00 15.00 O ATOM 221 CB SER A 293 5.179 -2.146 -11.814 1.00 15.00 C ATOM 222 OG SER A 293 5.094 -3.426 -12.414 1.00 15.00 O ATOM 0 H SER A 293 5.459 0.228 -11.296 1.00 15.00 H new ATOM 0 HA SER A 293 5.105 -1.135 -13.714 1.00 15.00 H new ATOM 0 HB2 SER A 293 6.218 -1.930 -11.565 1.00 15.00 H new ATOM 0 HB3 SER A 293 4.620 -2.146 -10.878 1.00 15.00 H new ATOM 0 HG SER A 293 4.328 -3.451 -13.025 1.00 15.00 H new ATOM 228 N GLY A 294 2.351 -0.312 -12.298 1.00 15.00 N ATOM 229 CA GLY A 294 0.912 -0.357 -12.417 1.00 15.00 C ATOM 230 C GLY A 294 0.278 -1.205 -11.345 1.00 15.00 C ATOM 231 O GLY A 294 -0.601 -2.020 -11.626 1.00 15.00 O ATOM 0 H GLY A 294 2.708 0.444 -11.713 1.00 15.00 H new ATOM 0 HA2 GLY A 294 0.513 0.656 -12.360 1.00 15.00 H new ATOM 0 HA3 GLY A 294 0.642 -0.752 -13.397 1.00 15.00 H new ATOM 235 N ARG A 295 0.735 -1.025 -10.115 1.00 15.00 N ATOM 236 CA ARG A 295 0.164 -1.743 -8.985 1.00 15.00 C ATOM 237 C ARG A 295 0.229 -0.885 -7.723 1.00 15.00 C ATOM 238 O ARG A 295 1.299 -0.386 -7.343 1.00 15.00 O ATOM 239 CB ARG A 295 0.889 -3.085 -8.767 1.00 15.00 C ATOM 240 CG ARG A 295 2.325 -2.944 -8.287 1.00 15.00 C ATOM 241 CD ARG A 295 2.961 -4.288 -7.983 1.00 15.00 C ATOM 242 NE ARG A 295 4.317 -4.138 -7.452 1.00 15.00 N ATOM 243 CZ ARG A 295 5.408 -4.635 -8.039 1.00 15.00 C ATOM 244 NH1 ARG A 295 5.303 -5.314 -9.177 1.00 15.00 N1+ ATOM 245 NH2 ARG A 295 6.604 -4.454 -7.487 1.00 15.00 N ATOM 0 H ARG A 295 1.497 -0.391 -9.874 1.00 15.00 H new ATOM 0 HA ARG A 295 -0.882 -1.956 -9.206 1.00 15.00 H new ATOM 0 HB2 ARG A 295 0.330 -3.674 -8.039 1.00 15.00 H new ATOM 0 HB3 ARG A 295 0.883 -3.645 -9.702 1.00 15.00 H new ATOM 0 HG2 ARG A 295 2.912 -2.430 -9.048 1.00 15.00 H new ATOM 0 HG3 ARG A 295 2.348 -2.322 -7.392 1.00 15.00 H new ATOM 0 HD2 ARG A 295 2.346 -4.827 -7.263 1.00 15.00 H new ATOM 0 HD3 ARG A 295 2.990 -4.890 -8.891 1.00 15.00 H new ATOM 0 HE ARG A 295 4.435 -3.622 -6.580 1.00 15.00 H new ATOM 0 HH11 ARG A 295 4.387 -5.456 -9.603 1.00 15.00 H new ATOM 0 HH12 ARG A 295 6.138 -5.693 -9.624 1.00 15.00 H new ATOM 0 HH21 ARG A 295 6.689 -3.935 -6.613 1.00 15.00 H new ATOM 0 HH22 ARG A 295 7.436 -4.835 -7.937 1.00 15.00 H new ATOM 259 N ILE A 296 -0.922 -0.683 -7.100 1.00 15.00 N ATOM 260 CA ILE A 296 -0.985 -0.039 -5.801 1.00 15.00 C ATOM 261 C ILE A 296 -0.937 -1.148 -4.746 1.00 15.00 C ATOM 262 O ILE A 296 -1.609 -2.171 -4.883 1.00 15.00 O ATOM 263 CB ILE A 296 -2.268 0.844 -5.682 1.00 15.00 C ATOM 264 CG1 ILE A 296 -2.070 2.030 -4.713 1.00 15.00 C ATOM 265 CG2 ILE A 296 -3.485 0.023 -5.270 1.00 15.00 C ATOM 266 CD1 ILE A 296 -2.013 1.663 -3.244 1.00 15.00 C ATOM 0 H ILE A 296 -1.829 -0.958 -7.477 1.00 15.00 H new ATOM 0 HA ILE A 296 -0.145 0.639 -5.655 1.00 15.00 H new ATOM 0 HB ILE A 296 -2.451 1.250 -6.677 1.00 15.00 H new ATOM 0 HG12 ILE A 296 -1.146 2.544 -4.978 1.00 15.00 H new ATOM 0 HG13 ILE A 296 -2.884 2.739 -4.862 1.00 15.00 H new ATOM 0 HG21 ILE A 296 -4.356 0.674 -5.199 1.00 15.00 H new ATOM 0 HG22 ILE A 296 -3.671 -0.751 -6.015 1.00 15.00 H new ATOM 0 HG23 ILE A 296 -3.299 -0.442 -4.302 1.00 15.00 H new ATOM 0 HD11 ILE A 296 -1.872 2.565 -2.649 1.00 15.00 H new ATOM 0 HD12 ILE A 296 -2.945 1.179 -2.954 1.00 15.00 H new ATOM 0 HD13 ILE A 296 -1.181 0.981 -3.071 1.00 15.00 H new ATOM 278 N TYR A 297 -0.097 -0.991 -3.739 1.00 15.00 N ATOM 279 CA TYR A 297 0.120 -2.066 -2.788 1.00 15.00 C ATOM 280 C TYR A 297 0.469 -1.449 -1.463 1.00 15.00 C ATOM 281 O TYR A 297 1.264 -0.503 -1.386 1.00 15.00 O ATOM 282 CB TYR A 297 1.174 -3.093 -3.270 1.00 15.00 C ATOM 283 CG TYR A 297 2.620 -2.790 -2.935 1.00 15.00 C ATOM 284 CD1 TYR A 297 3.347 -1.882 -3.683 1.00 15.00 C ATOM 285 CD2 TYR A 297 3.264 -3.436 -1.878 1.00 15.00 C ATOM 286 CE1 TYR A 297 4.667 -1.617 -3.388 1.00 15.00 C ATOM 287 CE2 TYR A 297 4.582 -3.171 -1.582 1.00 15.00 C ATOM 288 CZ TYR A 297 5.277 -2.262 -2.336 1.00 15.00 C ATOM 289 OH TYR A 297 6.588 -1.994 -2.037 1.00 15.00 O ATOM 0 H TYR A 297 0.439 -0.142 -3.560 1.00 15.00 H new ATOM 0 HA TYR A 297 -0.794 -2.650 -2.687 1.00 15.00 H new ATOM 0 HB2 TYR A 297 0.922 -4.064 -2.845 1.00 15.00 H new ATOM 0 HB3 TYR A 297 1.088 -3.187 -4.353 1.00 15.00 H new ATOM 0 HD1 TYR A 297 2.874 -1.373 -4.510 1.00 15.00 H new ATOM 0 HD2 TYR A 297 2.720 -4.155 -1.283 1.00 15.00 H new ATOM 0 HE1 TYR A 297 5.222 -0.905 -3.981 1.00 15.00 H new ATOM 0 HE2 TYR A 297 5.066 -3.677 -0.760 1.00 15.00 H new ATOM 0 HH TYR A 297 6.864 -2.533 -1.266 1.00 15.00 H new ATOM 299 N PHE A 298 -0.136 -1.957 -0.428 1.00 15.00 N ATOM 300 CA PHE A 298 -0.118 -1.266 0.813 1.00 15.00 C ATOM 301 C PHE A 298 1.018 -1.595 1.717 1.00 15.00 C ATOM 302 O PHE A 298 1.367 -2.754 1.925 1.00 15.00 O ATOM 303 CB PHE A 298 -1.422 -1.435 1.519 1.00 15.00 C ATOM 304 CG PHE A 298 -2.215 -0.251 1.224 1.00 15.00 C ATOM 305 CD1 PHE A 298 -1.801 0.958 1.733 1.00 15.00 C ATOM 306 CD2 PHE A 298 -3.319 -0.312 0.408 1.00 15.00 C ATOM 307 CE1 PHE A 298 -2.477 2.092 1.448 1.00 15.00 C ATOM 308 CE2 PHE A 298 -4.011 0.830 0.121 1.00 15.00 C ATOM 309 CZ PHE A 298 -3.582 2.027 0.648 1.00 15.00 C ATOM 0 H PHE A 298 -0.643 -2.842 -0.426 1.00 15.00 H new ATOM 0 HA PHE A 298 0.039 -0.220 0.550 1.00 15.00 H new ATOM 0 HB2 PHE A 298 -1.932 -2.337 1.179 1.00 15.00 H new ATOM 0 HB3 PHE A 298 -1.269 -1.541 2.593 1.00 15.00 H new ATOM 0 HD1 PHE A 298 -0.927 1.001 2.366 1.00 15.00 H new ATOM 0 HD2 PHE A 298 -3.638 -1.258 -0.004 1.00 15.00 H new ATOM 0 HE1 PHE A 298 -2.147 3.039 1.848 1.00 15.00 H new ATOM 0 HE2 PHE A 298 -4.885 0.794 -0.512 1.00 15.00 H new ATOM 0 HZ PHE A 298 -4.129 2.931 0.425 1.00 15.00 H new ATOM 319 N VAL A 299 1.529 -0.520 2.287 1.00 15.00 N ATOM 320 CA VAL A 299 2.605 -0.549 3.228 1.00 15.00 C ATOM 321 C VAL A 299 2.261 0.407 4.375 1.00 15.00 C ATOM 322 O VAL A 299 2.541 1.608 4.340 1.00 15.00 O ATOM 323 CB VAL A 299 3.926 -0.138 2.535 1.00 15.00 C ATOM 324 CG1 VAL A 299 4.368 -1.213 1.549 1.00 15.00 C ATOM 325 CG2 VAL A 299 3.754 1.179 1.797 1.00 15.00 C ATOM 0 H VAL A 299 1.188 0.422 2.094 1.00 15.00 H new ATOM 0 HA VAL A 299 2.741 -1.556 3.623 1.00 15.00 H new ATOM 0 HB VAL A 299 4.688 -0.021 3.306 1.00 15.00 H new ATOM 0 HG11 VAL A 299 5.299 -0.908 1.071 1.00 15.00 H new ATOM 0 HG12 VAL A 299 4.524 -2.152 2.080 1.00 15.00 H new ATOM 0 HG13 VAL A 299 3.598 -1.349 0.790 1.00 15.00 H new ATOM 0 HG21 VAL A 299 4.693 1.452 1.316 1.00 15.00 H new ATOM 0 HG22 VAL A 299 2.976 1.073 1.041 1.00 15.00 H new ATOM 0 HG23 VAL A 299 3.469 1.958 2.504 1.00 15.00 H new ATOM 335 N ASP A 300 1.599 -0.118 5.377 1.00 15.00 N ATOM 336 CA ASP A 300 1.195 0.694 6.508 1.00 15.00 C ATOM 337 C ASP A 300 2.260 0.617 7.587 1.00 15.00 C ATOM 338 O ASP A 300 2.586 -0.466 8.078 1.00 15.00 O ATOM 339 CB ASP A 300 -0.194 0.262 7.010 1.00 15.00 C ATOM 340 CG ASP A 300 -0.328 0.247 8.522 1.00 15.00 C ATOM 341 OD1 ASP A 300 -0.288 1.325 9.152 1.00 15.00 O ATOM 342 OD2 ASP A 300 -0.492 -0.848 9.088 1.00 15.00 O1- ATOM 0 H ASP A 300 1.328 -1.099 5.436 1.00 15.00 H new ATOM 0 HA ASP A 300 1.104 1.738 6.207 1.00 15.00 H new ATOM 0 HB2 ASP A 300 -0.944 0.936 6.596 1.00 15.00 H new ATOM 0 HB3 ASP A 300 -0.414 -0.734 6.626 1.00 15.00 H new ATOM 347 N HIS A 301 2.838 1.768 7.923 1.00 15.00 N ATOM 348 CA HIS A 301 3.943 1.804 8.871 1.00 15.00 C ATOM 349 C HIS A 301 3.412 1.848 10.300 1.00 15.00 C ATOM 350 O HIS A 301 4.174 1.704 11.254 1.00 15.00 O ATOM 351 CB HIS A 301 4.859 3.025 8.681 1.00 15.00 C ATOM 352 CG HIS A 301 5.275 3.374 7.278 1.00 15.00 C ATOM 353 ND1 HIS A 301 5.444 4.674 6.879 1.00 15.00 N ATOM 354 CD2 HIS A 301 5.663 2.615 6.228 1.00 15.00 C ATOM 355 CE1 HIS A 301 5.925 4.701 5.659 1.00 15.00 C ATOM 356 NE2 HIS A 301 6.078 3.462 5.233 1.00 15.00 N ATOM 0 H HIS A 301 2.561 2.678 7.556 1.00 15.00 H new ATOM 0 HA HIS A 301 4.523 0.900 8.687 1.00 15.00 H new ATOM 0 HB2 HIS A 301 4.355 3.892 9.107 1.00 15.00 H new ATOM 0 HB3 HIS A 301 5.763 2.861 9.268 1.00 15.00 H new ATOM 0 HD1 HIS A 301 5.229 5.495 7.444 1.00 15.00 H new ATOM 0 HD2 HIS A 301 5.649 1.536 6.182 1.00 15.00 H new ATOM 0 HE1 HIS A 301 6.158 5.592 5.095 1.00 15.00 H new ATOM 365 N ASN A 302 2.112 2.075 10.439 1.00 15.00 N ATOM 366 CA ASN A 302 1.510 2.284 11.750 1.00 15.00 C ATOM 367 C ASN A 302 1.185 0.955 12.425 1.00 15.00 C ATOM 368 O ASN A 302 1.660 0.680 13.526 1.00 15.00 O ATOM 369 CB ASN A 302 0.255 3.153 11.618 1.00 15.00 C ATOM 370 CG ASN A 302 -0.420 3.434 12.948 1.00 15.00 C ATOM 371 OD1 ASN A 302 -0.034 4.356 13.666 1.00 15.00 O ATOM 372 ND2 ASN A 302 -1.458 2.674 13.263 1.00 15.00 N ATOM 0 H ASN A 302 1.454 2.119 9.661 1.00 15.00 H new ATOM 0 HA ASN A 302 2.230 2.804 12.382 1.00 15.00 H new ATOM 0 HB2 ASN A 302 0.524 4.099 11.147 1.00 15.00 H new ATOM 0 HB3 ASN A 302 -0.454 2.657 10.955 1.00 15.00 H new ATOM 0 HD21 ASN A 302 -1.970 2.843 14.129 1.00 15.00 H new ATOM 0 HD22 ASN A 302 -1.746 1.920 12.640 1.00 15.00 H new ATOM 379 N ASN A 303 0.375 0.134 11.771 1.00 15.00 N ATOM 380 CA ASN A 303 0.050 -1.192 12.299 1.00 15.00 C ATOM 381 C ASN A 303 0.969 -2.260 11.719 1.00 15.00 C ATOM 382 O ASN A 303 1.025 -3.383 12.231 1.00 15.00 O ATOM 383 CB ASN A 303 -1.405 -1.567 12.000 1.00 15.00 C ATOM 384 CG ASN A 303 -2.410 -0.754 12.794 1.00 15.00 C ATOM 385 OD1 ASN A 303 -2.147 -0.341 13.925 1.00 15.00 O ATOM 386 ND2 ASN A 303 -3.573 -0.530 12.207 1.00 15.00 N ATOM 0 H ASN A 303 -0.068 0.357 10.880 1.00 15.00 H new ATOM 0 HA ASN A 303 0.194 -1.146 13.379 1.00 15.00 H new ATOM 0 HB2 ASN A 303 -1.597 -1.430 10.936 1.00 15.00 H new ATOM 0 HB3 ASN A 303 -1.552 -2.625 12.217 1.00 15.00 H new ATOM 0 HD21 ASN A 303 -4.295 0.003 12.692 1.00 15.00 H new ATOM 0 HD22 ASN A 303 -3.749 -0.891 11.269 1.00 15.00 H new ATOM 393 N ARG A 304 1.674 -1.901 10.645 1.00 15.00 N ATOM 394 CA ARG A 304 2.499 -2.829 9.879 1.00 15.00 C ATOM 395 C ARG A 304 1.625 -3.860 9.173 1.00 15.00 C ATOM 396 O ARG A 304 1.291 -4.907 9.733 1.00 15.00 O ATOM 397 CB ARG A 304 3.565 -3.517 10.745 1.00 15.00 C ATOM 398 CG ARG A 304 4.511 -4.401 9.945 1.00 15.00 C ATOM 399 CD ARG A 304 5.585 -5.022 10.821 1.00 15.00 C ATOM 400 NE ARG A 304 6.491 -5.873 10.049 1.00 15.00 N ATOM 401 CZ ARG A 304 6.677 -7.173 10.280 1.00 15.00 C ATOM 402 NH1 ARG A 304 6.035 -7.779 11.270 1.00 15.00 N1+ ATOM 403 NH2 ARG A 304 7.516 -7.859 9.522 1.00 15.00 N ATOM 0 H ARG A 304 1.687 -0.948 10.281 1.00 15.00 H new ATOM 0 HA ARG A 304 3.032 -2.244 9.129 1.00 15.00 H new ATOM 0 HB2 ARG A 304 4.145 -2.756 11.268 1.00 15.00 H new ATOM 0 HB3 ARG A 304 3.071 -4.121 11.506 1.00 15.00 H new ATOM 0 HG2 ARG A 304 3.942 -5.191 9.454 1.00 15.00 H new ATOM 0 HG3 ARG A 304 4.981 -3.811 9.158 1.00 15.00 H new ATOM 0 HD2 ARG A 304 6.156 -4.233 11.310 1.00 15.00 H new ATOM 0 HD3 ARG A 304 5.116 -5.611 11.609 1.00 15.00 H new ATOM 0 HE ARG A 304 7.014 -5.444 9.285 1.00 15.00 H new ATOM 0 HH11 ARG A 304 5.394 -7.250 11.861 1.00 15.00 H new ATOM 0 HH12 ARG A 304 6.183 -8.774 11.440 1.00 15.00 H new ATOM 0 HH21 ARG A 304 8.017 -7.393 8.765 1.00 15.00 H new ATOM 0 HH22 ARG A 304 7.662 -8.854 9.694 1.00 15.00 H new ATOM 417 N THR A 305 1.211 -3.525 7.962 1.00 15.00 N ATOM 418 CA THR A 305 0.397 -4.420 7.157 1.00 15.00 C ATOM 419 C THR A 305 0.672 -4.183 5.675 1.00 15.00 C ATOM 420 O THR A 305 1.031 -3.070 5.271 1.00 15.00 O ATOM 421 CB THR A 305 -1.112 -4.234 7.459 1.00 15.00 C ATOM 422 OG1 THR A 305 -1.865 -5.338 6.942 1.00 15.00 O ATOM 423 CG2 THR A 305 -1.649 -2.941 6.864 1.00 15.00 C ATOM 0 H THR A 305 1.427 -2.635 7.513 1.00 15.00 H new ATOM 0 HA THR A 305 0.665 -5.445 7.413 1.00 15.00 H new ATOM 0 HB THR A 305 -1.221 -4.188 8.543 1.00 15.00 H new ATOM 0 HG1 THR A 305 -2.816 -5.208 7.142 1.00 15.00 H new ATOM 0 HG21 THR A 305 -2.710 -2.846 7.097 1.00 15.00 H new ATOM 0 HG22 THR A 305 -1.108 -2.094 7.286 1.00 15.00 H new ATOM 0 HG23 THR A 305 -1.515 -2.955 5.782 1.00 15.00 H new ATOM 431 N THR A 306 0.529 -5.233 4.875 1.00 15.00 N ATOM 432 CA THR A 306 0.749 -5.139 3.444 1.00 15.00 C ATOM 433 C THR A 306 -0.413 -5.773 2.682 1.00 15.00 C ATOM 434 O THR A 306 -0.679 -6.968 2.813 1.00 15.00 O ATOM 435 CB THR A 306 2.087 -5.794 3.040 1.00 15.00 C ATOM 436 OG1 THR A 306 2.206 -7.106 3.612 1.00 15.00 O ATOM 437 CG2 THR A 306 3.257 -4.937 3.495 1.00 15.00 C ATOM 0 H THR A 306 0.260 -6.162 5.199 1.00 15.00 H new ATOM 0 HA THR A 306 0.802 -4.083 3.180 1.00 15.00 H new ATOM 0 HB THR A 306 2.103 -5.879 1.953 1.00 15.00 H new ATOM 0 HG1 THR A 306 1.364 -7.593 3.491 1.00 15.00 H new ATOM 0 HG21 THR A 306 4.193 -5.413 3.202 1.00 15.00 H new ATOM 0 HG22 THR A 306 3.190 -3.953 3.030 1.00 15.00 H new ATOM 0 HG23 THR A 306 3.229 -4.829 4.579 1.00 15.00 H new ATOM 445 N GLN A 307 -1.114 -4.965 1.893 1.00 15.00 N ATOM 446 CA GLN A 307 -2.361 -5.409 1.260 1.00 15.00 C ATOM 447 C GLN A 307 -2.502 -4.864 -0.162 1.00 15.00 C ATOM 448 O GLN A 307 -2.329 -3.676 -0.387 1.00 15.00 O ATOM 449 CB GLN A 307 -3.566 -4.932 2.087 1.00 15.00 C ATOM 450 CG GLN A 307 -3.580 -5.419 3.532 1.00 15.00 C ATOM 451 CD GLN A 307 -3.895 -6.899 3.664 1.00 15.00 C ATOM 452 OE1 GLN A 307 -3.401 -7.571 4.571 1.00 15.00 O ATOM 453 NE2 GLN A 307 -4.744 -7.411 2.786 1.00 15.00 N ATOM 0 H GLN A 307 -0.846 -4.005 1.675 1.00 15.00 H new ATOM 0 HA GLN A 307 -2.332 -6.498 1.216 1.00 15.00 H new ATOM 0 HB2 GLN A 307 -3.582 -3.842 2.085 1.00 15.00 H new ATOM 0 HB3 GLN A 307 -4.481 -5.265 1.597 1.00 15.00 H new ATOM 0 HG2 GLN A 307 -2.609 -5.220 3.985 1.00 15.00 H new ATOM 0 HG3 GLN A 307 -4.317 -4.846 4.094 1.00 15.00 H new ATOM 0 HE21 GLN A 307 -5.132 -6.822 2.049 1.00 15.00 H new ATOM 0 HE22 GLN A 307 -5.010 -8.394 2.847 1.00 15.00 H new ATOM 462 N PHE A 308 -2.841 -5.729 -1.116 1.00 15.00 N ATOM 463 CA PHE A 308 -3.202 -5.271 -2.465 1.00 15.00 C ATOM 464 C PHE A 308 -4.591 -4.630 -2.466 1.00 15.00 C ATOM 465 O PHE A 308 -4.986 -3.972 -3.426 1.00 15.00 O ATOM 466 CB PHE A 308 -3.169 -6.417 -3.488 1.00 15.00 C ATOM 467 CG PHE A 308 -1.842 -6.611 -4.174 1.00 15.00 C ATOM 468 CD1 PHE A 308 -1.148 -5.521 -4.680 1.00 15.00 C ATOM 469 CD2 PHE A 308 -1.303 -7.879 -4.343 1.00 15.00 C ATOM 470 CE1 PHE A 308 0.056 -5.691 -5.336 1.00 15.00 C ATOM 471 CE2 PHE A 308 -0.100 -8.049 -4.993 1.00 15.00 C ATOM 472 CZ PHE A 308 0.581 -6.957 -5.490 1.00 15.00 C ATOM 0 H PHE A 308 -2.875 -6.740 -0.987 1.00 15.00 H new ATOM 0 HA PHE A 308 -2.458 -4.530 -2.757 1.00 15.00 H new ATOM 0 HB2 PHE A 308 -3.441 -7.344 -2.983 1.00 15.00 H new ATOM 0 HB3 PHE A 308 -3.930 -6.232 -4.246 1.00 15.00 H new ATOM 0 HD1 PHE A 308 -1.554 -4.528 -4.560 1.00 15.00 H new ATOM 0 HD2 PHE A 308 -1.831 -8.740 -3.962 1.00 15.00 H new ATOM 0 HE1 PHE A 308 0.585 -4.834 -5.727 1.00 15.00 H new ATOM 0 HE2 PHE A 308 0.311 -9.040 -5.114 1.00 15.00 H new ATOM 0 HZ PHE A 308 1.524 -7.093 -5.999 1.00 15.00 H new ATOM 482 N THR A 309 -5.334 -4.861 -1.394 1.00 15.00 N ATOM 483 CA THR A 309 -6.699 -4.375 -1.272 1.00 15.00 C ATOM 484 C THR A 309 -6.743 -2.895 -0.876 1.00 15.00 C ATOM 485 O THR A 309 -6.406 -2.537 0.256 1.00 15.00 O ATOM 486 CB THR A 309 -7.459 -5.212 -0.231 1.00 15.00 C ATOM 487 OG1 THR A 309 -6.666 -5.329 0.960 1.00 15.00 O ATOM 488 CG2 THR A 309 -7.773 -6.599 -0.775 1.00 15.00 C ATOM 0 H THR A 309 -5.008 -5.390 -0.585 1.00 15.00 H new ATOM 0 HA THR A 309 -7.175 -4.474 -2.248 1.00 15.00 H new ATOM 0 HB THR A 309 -8.399 -4.711 -0.002 1.00 15.00 H new ATOM 0 HG1 THR A 309 -6.290 -4.454 1.190 1.00 15.00 H new ATOM 0 HG21 THR A 309 -8.311 -7.173 -0.020 1.00 15.00 H new ATOM 0 HG22 THR A 309 -8.389 -6.508 -1.669 1.00 15.00 H new ATOM 0 HG23 THR A 309 -6.844 -7.111 -1.025 1.00 15.00 H new ATOM 496 N ASP A 310 -7.145 -2.048 -1.819 1.00 15.00 N ATOM 497 CA ASP A 310 -7.271 -0.613 -1.566 1.00 15.00 C ATOM 498 C ASP A 310 -8.723 -0.268 -1.229 1.00 15.00 C ATOM 499 O ASP A 310 -9.641 -0.626 -1.969 1.00 15.00 O ATOM 500 CB ASP A 310 -6.806 0.186 -2.789 1.00 15.00 C ATOM 501 CG ASP A 310 -6.612 1.666 -2.496 1.00 15.00 C ATOM 502 OD1 ASP A 310 -7.575 2.335 -2.066 1.00 15.00 O1- ATOM 503 OD2 ASP A 310 -5.486 2.166 -2.692 1.00 15.00 O ATOM 0 H ASP A 310 -7.390 -2.330 -2.768 1.00 15.00 H new ATOM 0 HA ASP A 310 -6.639 -0.348 -0.718 1.00 15.00 H new ATOM 0 HB2 ASP A 310 -5.868 -0.232 -3.154 1.00 15.00 H new ATOM 0 HB3 ASP A 310 -7.538 0.073 -3.589 1.00 15.00 H new ATOM 508 N PRO A 311 -8.948 0.424 -0.103 1.00 15.00 N ATOM 509 CA PRO A 311 -10.287 0.769 0.374 1.00 15.00 C ATOM 510 C PRO A 311 -10.851 2.067 -0.216 1.00 15.00 C ATOM 511 O PRO A 311 -12.048 2.347 -0.079 1.00 15.00 O ATOM 512 CB PRO A 311 -10.074 0.918 1.877 1.00 15.00 C ATOM 513 CG PRO A 311 -8.684 1.445 2.004 1.00 15.00 C ATOM 514 CD PRO A 311 -7.904 0.901 0.828 1.00 15.00 C ATOM 0 HA PRO A 311 -11.018 0.015 0.082 1.00 15.00 H new ATOM 0 HB2 PRO A 311 -10.800 1.603 2.315 1.00 15.00 H new ATOM 0 HB3 PRO A 311 -10.186 -0.037 2.391 1.00 15.00 H new ATOM 0 HG2 PRO A 311 -8.681 2.535 1.999 1.00 15.00 H new ATOM 0 HG3 PRO A 311 -8.235 1.129 2.946 1.00 15.00 H new ATOM 0 HD2 PRO A 311 -7.283 1.671 0.371 1.00 15.00 H new ATOM 0 HD3 PRO A 311 -7.239 0.092 1.130 1.00 15.00 H new ATOM 522 N ARG A 312 -9.992 2.875 -0.830 1.00 15.00 N ATOM 523 CA ARG A 312 -10.368 4.229 -1.238 1.00 15.00 C ATOM 524 C ARG A 312 -11.387 4.246 -2.373 1.00 15.00 C ATOM 525 O ARG A 312 -12.254 5.121 -2.414 1.00 15.00 O ATOM 526 CB ARG A 312 -9.133 5.033 -1.638 1.00 15.00 C ATOM 527 CG ARG A 312 -8.204 5.332 -0.476 1.00 15.00 C ATOM 528 CD ARG A 312 -6.903 5.957 -0.949 1.00 15.00 C ATOM 529 NE ARG A 312 -6.118 5.035 -1.770 1.00 15.00 N ATOM 530 CZ ARG A 312 -5.019 5.381 -2.438 1.00 15.00 C ATOM 531 NH1 ARG A 312 -4.587 6.638 -2.416 1.00 15.00 N1+ ATOM 532 NH2 ARG A 312 -4.356 4.465 -3.130 1.00 15.00 N ATOM 0 H ARG A 312 -9.031 2.618 -1.057 1.00 15.00 H new ATOM 0 HA ARG A 312 -10.842 4.691 -0.372 1.00 15.00 H new ATOM 0 HB2 ARG A 312 -8.582 4.483 -2.401 1.00 15.00 H new ATOM 0 HB3 ARG A 312 -9.451 5.973 -2.090 1.00 15.00 H new ATOM 0 HG2 ARG A 312 -8.699 6.006 0.223 1.00 15.00 H new ATOM 0 HG3 ARG A 312 -7.990 4.411 0.066 1.00 15.00 H new ATOM 0 HD2 ARG A 312 -7.121 6.857 -1.523 1.00 15.00 H new ATOM 0 HD3 ARG A 312 -6.314 6.265 -0.085 1.00 15.00 H new ATOM 0 HE ARG A 312 -6.432 4.067 -1.835 1.00 15.00 H new ATOM 0 HH11 ARG A 312 -5.098 7.344 -1.885 1.00 15.00 H new ATOM 0 HH12 ARG A 312 -3.745 6.897 -2.930 1.00 15.00 H new ATOM 0 HH21 ARG A 312 -4.688 3.501 -3.149 1.00 15.00 H new ATOM 0 HH22 ARG A 312 -3.514 4.724 -3.643 1.00 15.00 H new ATOM 546 N LEU A 313 -11.279 3.306 -3.298 1.00 15.00 N ATOM 547 CA LEU A 313 -12.197 3.259 -4.429 1.00 15.00 C ATOM 548 C LEU A 313 -13.421 2.414 -4.091 1.00 15.00 C ATOM 549 O LEU A 313 -14.430 2.989 -3.631 1.00 15.00 O ATOM 550 CB LEU A 313 -11.528 2.763 -5.740 1.00 15.00 C ATOM 551 CG LEU A 313 -10.224 1.936 -5.643 1.00 15.00 C ATOM 552 CD1 LEU A 313 -9.057 2.793 -5.169 1.00 15.00 C ATOM 553 CD2 LEU A 313 -10.393 0.718 -4.747 1.00 15.00 C ATOM 0 H LEU A 313 -10.572 2.571 -3.291 1.00 15.00 H new ATOM 0 HA LEU A 313 -12.512 4.286 -4.616 1.00 15.00 H new ATOM 0 HB2 LEU A 313 -12.261 2.162 -6.278 1.00 15.00 H new ATOM 0 HB3 LEU A 313 -11.319 3.638 -6.356 1.00 15.00 H new ATOM 0 HG LEU A 313 -9.998 1.580 -6.648 1.00 15.00 H new ATOM 0 HD11 LEU A 313 -8.156 2.182 -5.112 1.00 15.00 H new ATOM 0 HD12 LEU A 313 -8.897 3.610 -5.872 1.00 15.00 H new ATOM 0 HD13 LEU A 313 -9.282 3.201 -4.184 1.00 15.00 H new ATOM 0 HD21 LEU A 313 -9.455 0.164 -4.705 1.00 15.00 H new ATOM 0 HD22 LEU A 313 -10.669 1.040 -3.743 1.00 15.00 H new ATOM 0 HD23 LEU A 313 -11.176 0.076 -5.150 1.00 15.00 H new TER 565 LEU A 313 ATOM 566 N ASP B 221 0.831 -9.609 -10.713 1.00 15.00 N ATOM 567 CA ASP B 221 1.774 -9.121 -9.687 1.00 15.00 C ATOM 568 C ASP B 221 1.668 -9.967 -8.426 1.00 15.00 C ATOM 569 O ASP B 221 0.571 -10.253 -7.944 1.00 15.00 O ATOM 570 CB ASP B 221 1.516 -7.642 -9.385 1.00 15.00 C ATOM 571 CG ASP B 221 2.001 -6.751 -10.513 1.00 15.00 C ATOM 572 OD1 ASP B 221 1.295 -6.640 -11.539 1.00 15.00 O1- ATOM 573 OD2 ASP B 221 3.102 -6.175 -10.387 1.00 15.00 O ATOM 0 HA ASP B 221 2.790 -9.213 -10.070 1.00 15.00 H new ATOM 0 HB2 ASP B 221 0.449 -7.483 -9.227 1.00 15.00 H new ATOM 0 HB3 ASP B 221 2.020 -7.365 -8.459 1.00 15.00 H new ATOM 578 N THR B 222 2.824 -10.361 -7.910 1.00 15.00 N ATOM 579 CA THR B 222 2.916 -11.260 -6.767 1.00 15.00 C ATOM 580 C THR B 222 2.406 -10.585 -5.491 1.00 15.00 C ATOM 581 O THR B 222 2.476 -9.362 -5.370 1.00 15.00 O ATOM 582 CB THR B 222 4.385 -11.734 -6.592 1.00 15.00 C ATOM 583 OG1 THR B 222 4.494 -12.736 -5.576 1.00 15.00 O ATOM 584 CG2 THR B 222 5.302 -10.569 -6.245 1.00 15.00 C ATOM 0 H THR B 222 3.729 -10.065 -8.274 1.00 15.00 H new ATOM 0 HA THR B 222 2.283 -12.128 -6.953 1.00 15.00 H new ATOM 0 HB THR B 222 4.694 -12.162 -7.546 1.00 15.00 H new ATOM 0 HG1 THR B 222 5.430 -13.015 -5.491 1.00 15.00 H new ATOM 0 HG21 THR B 222 6.323 -10.932 -6.129 1.00 15.00 H new ATOM 0 HG22 THR B 222 5.269 -9.829 -7.045 1.00 15.00 H new ATOM 0 HG23 THR B 222 4.971 -10.111 -5.313 1.00 15.00 H new ATOM 592 N PRO B 223 1.884 -11.386 -4.527 1.00 15.00 N ATOM 593 CA PRO B 223 1.302 -10.873 -3.275 1.00 15.00 C ATOM 594 C PRO B 223 2.192 -9.850 -2.569 1.00 15.00 C ATOM 595 O PRO B 223 3.420 -9.886 -2.688 1.00 15.00 O ATOM 596 CB PRO B 223 1.175 -12.137 -2.421 1.00 15.00 C ATOM 597 CG PRO B 223 0.952 -13.225 -3.406 1.00 15.00 C ATOM 598 CD PRO B 223 1.768 -12.857 -4.613 1.00 15.00 C ATOM 0 HA PRO B 223 0.365 -10.344 -3.453 1.00 15.00 H new ATOM 0 HB2 PRO B 223 2.076 -12.312 -1.833 1.00 15.00 H new ATOM 0 HB3 PRO B 223 0.345 -12.060 -1.718 1.00 15.00 H new ATOM 0 HG2 PRO B 223 1.264 -14.188 -3.002 1.00 15.00 H new ATOM 0 HG3 PRO B 223 -0.104 -13.312 -3.660 1.00 15.00 H new ATOM 0 HD2 PRO B 223 2.747 -13.337 -4.595 1.00 15.00 H new ATOM 0 HD3 PRO B 223 1.278 -13.166 -5.536 1.00 15.00 H new ATOM 606 N PRO B 224 1.559 -8.957 -1.782 1.00 15.00 N ATOM 607 CA PRO B 224 2.191 -7.751 -1.239 1.00 15.00 C ATOM 608 C PRO B 224 3.540 -7.992 -0.568 1.00 15.00 C ATOM 609 O PRO B 224 3.656 -8.764 0.386 1.00 15.00 O ATOM 610 CB PRO B 224 1.173 -7.229 -0.212 1.00 15.00 C ATOM 611 CG PRO B 224 0.161 -8.313 -0.056 1.00 15.00 C ATOM 612 CD PRO B 224 0.163 -9.066 -1.349 1.00 15.00 C ATOM 0 HA PRO B 224 2.419 -7.052 -2.043 1.00 15.00 H new ATOM 0 HB2 PRO B 224 1.656 -7.006 0.739 1.00 15.00 H new ATOM 0 HB3 PRO B 224 0.707 -6.306 -0.557 1.00 15.00 H new ATOM 0 HG2 PRO B 224 0.415 -8.968 0.778 1.00 15.00 H new ATOM 0 HG3 PRO B 224 -0.825 -7.899 0.153 1.00 15.00 H new ATOM 0 HD2 PRO B 224 -0.139 -10.104 -1.213 1.00 15.00 H new ATOM 0 HD3 PRO B 224 -0.522 -8.627 -2.075 1.00 15.00 H new ATOM 620 N PRO B 225 4.574 -7.331 -1.105 1.00 15.00 N ATOM 621 CA PRO B 225 5.923 -7.295 -0.522 1.00 15.00 C ATOM 622 C PRO B 225 5.941 -6.775 0.917 1.00 15.00 C ATOM 623 O PRO B 225 4.913 -6.363 1.451 1.00 15.00 O ATOM 624 CB PRO B 225 6.655 -6.294 -1.421 1.00 15.00 C ATOM 625 CG PRO B 225 5.942 -6.354 -2.719 1.00 15.00 C ATOM 626 CD PRO B 225 4.504 -6.585 -2.375 1.00 15.00 C ATOM 0 HA PRO B 225 6.363 -8.291 -0.478 1.00 15.00 H new ATOM 0 HB2 PRO B 225 6.625 -5.289 -1.000 1.00 15.00 H new ATOM 0 HB3 PRO B 225 7.706 -6.560 -1.535 1.00 15.00 H new ATOM 0 HG2 PRO B 225 6.068 -5.427 -3.279 1.00 15.00 H new ATOM 0 HG3 PRO B 225 6.330 -7.159 -3.343 1.00 15.00 H new ATOM 0 HD2 PRO B 225 3.962 -5.646 -2.261 1.00 15.00 H new ATOM 0 HD3 PRO B 225 3.992 -7.156 -3.149 1.00 15.00 H new ATOM 634 N ALA B 226 7.123 -6.784 1.531 1.00 15.00 N ATOM 635 CA ALA B 226 7.308 -6.158 2.835 1.00 15.00 C ATOM 636 C ALA B 226 7.059 -4.660 2.717 1.00 15.00 C ATOM 637 O ALA B 226 7.131 -4.104 1.616 1.00 15.00 O ATOM 638 CB ALA B 226 8.705 -6.428 3.368 1.00 15.00 C ATOM 0 H ALA B 226 7.963 -7.217 1.147 1.00 15.00 H new ATOM 0 HA ALA B 226 6.594 -6.585 3.539 1.00 15.00 H new ATOM 0 HB1 ALA B 226 8.821 -5.952 4.342 1.00 15.00 H new ATOM 0 HB2 ALA B 226 8.854 -7.503 3.470 1.00 15.00 H new ATOM 0 HB3 ALA B 226 9.443 -6.023 2.676 1.00 15.00 H new ATOM 644 N TYR B 227 6.785 -3.990 3.827 1.00 15.00 N ATOM 645 CA TYR B 227 6.351 -2.611 3.736 1.00 15.00 C ATOM 646 C TYR B 227 7.520 -1.631 3.768 1.00 15.00 C ATOM 647 O TYR B 227 8.440 -1.722 4.587 1.00 15.00 O ATOM 648 CB TYR B 227 5.312 -2.265 4.811 1.00 15.00 C ATOM 649 CG TYR B 227 5.884 -1.799 6.136 1.00 15.00 C ATOM 650 CD1 TYR B 227 6.141 -0.455 6.352 1.00 15.00 C ATOM 651 CD2 TYR B 227 6.161 -2.691 7.165 1.00 15.00 C ATOM 652 CE1 TYR B 227 6.658 -0.003 7.543 1.00 15.00 C ATOM 653 CE2 TYR B 227 6.678 -2.248 8.371 1.00 15.00 C ATOM 654 CZ TYR B 227 6.927 -0.900 8.554 1.00 15.00 C ATOM 655 OH TYR B 227 7.439 -0.450 9.749 1.00 15.00 O ATOM 0 H TYR B 227 6.853 -4.367 4.772 1.00 15.00 H new ATOM 0 HA TYR B 227 5.869 -2.507 2.764 1.00 15.00 H new ATOM 0 HB2 TYR B 227 4.656 -1.486 4.422 1.00 15.00 H new ATOM 0 HB3 TYR B 227 4.692 -3.143 4.990 1.00 15.00 H new ATOM 0 HD1 TYR B 227 5.930 0.255 5.566 1.00 15.00 H new ATOM 0 HD2 TYR B 227 5.970 -3.744 7.022 1.00 15.00 H new ATOM 0 HE1 TYR B 227 6.852 1.050 7.686 1.00 15.00 H new ATOM 0 HE2 TYR B 227 6.886 -2.951 9.164 1.00 15.00 H new ATOM 0 HH TYR B 227 7.571 -1.209 10.355 1.00 15.00 H new ATOM 665 N LEU B 228 7.438 -0.690 2.851 1.00 15.00 N ATOM 666 CA LEU B 228 8.422 0.361 2.662 1.00 15.00 C ATOM 667 C LEU B 228 7.693 1.693 2.603 1.00 15.00 C ATOM 668 O LEU B 228 6.498 1.717 2.363 1.00 15.00 O ATOM 669 CB LEU B 228 9.206 0.133 1.364 1.00 15.00 C ATOM 670 CG LEU B 228 9.983 -1.183 1.281 1.00 15.00 C ATOM 671 CD1 LEU B 228 10.640 -1.323 -0.082 1.00 15.00 C ATOM 672 CD2 LEU B 228 11.028 -1.261 2.380 1.00 15.00 C ATOM 0 H LEU B 228 6.660 -0.632 2.194 1.00 15.00 H new ATOM 0 HA LEU B 228 9.131 0.357 3.490 1.00 15.00 H new ATOM 0 HB2 LEU B 228 8.508 0.175 0.528 1.00 15.00 H new ATOM 0 HB3 LEU B 228 9.908 0.957 1.236 1.00 15.00 H new ATOM 0 HG LEU B 228 9.280 -2.005 1.418 1.00 15.00 H new ATOM 0 HD11 LEU B 228 11.189 -2.264 -0.126 1.00 15.00 H new ATOM 0 HD12 LEU B 228 9.874 -1.313 -0.858 1.00 15.00 H new ATOM 0 HD13 LEU B 228 11.329 -0.493 -0.241 1.00 15.00 H new ATOM 0 HD21 LEU B 228 11.568 -2.204 2.302 1.00 15.00 H new ATOM 0 HD22 LEU B 228 11.728 -0.432 2.276 1.00 15.00 H new ATOM 0 HD23 LEU B 228 10.539 -1.202 3.352 1.00 15.00 H new ATOM 684 N PRO B 229 8.363 2.824 2.816 1.00 15.00 N ATOM 685 CA PRO B 229 7.696 4.116 2.713 1.00 15.00 C ATOM 686 C PRO B 229 7.736 4.636 1.274 1.00 15.00 C ATOM 687 O PRO B 229 8.698 4.397 0.542 1.00 15.00 O ATOM 688 CB PRO B 229 8.537 5.023 3.628 1.00 15.00 C ATOM 689 CG PRO B 229 9.540 4.124 4.279 1.00 15.00 C ATOM 690 CD PRO B 229 9.708 2.950 3.361 1.00 15.00 C ATOM 0 HA PRO B 229 6.644 4.072 2.994 1.00 15.00 H new ATOM 0 HB2 PRO B 229 9.029 5.809 3.055 1.00 15.00 H new ATOM 0 HB3 PRO B 229 7.912 5.516 4.372 1.00 15.00 H new ATOM 0 HG2 PRO B 229 10.488 4.641 4.427 1.00 15.00 H new ATOM 0 HG3 PRO B 229 9.195 3.803 5.262 1.00 15.00 H new ATOM 0 HD2 PRO B 229 10.451 3.137 2.585 1.00 15.00 H new ATOM 0 HD3 PRO B 229 10.022 2.052 3.894 1.00 15.00 H new ATOM 698 N PRO B 230 6.694 5.391 0.870 1.00 15.00 N ATOM 699 CA PRO B 230 6.186 5.358 -0.500 1.00 15.00 C ATOM 700 C PRO B 230 6.810 6.342 -1.482 1.00 15.00 C ATOM 701 O PRO B 230 7.270 7.426 -1.122 1.00 15.00 O ATOM 702 CB PRO B 230 4.728 5.724 -0.269 1.00 15.00 C ATOM 703 CG PRO B 230 4.774 6.749 0.811 1.00 15.00 C ATOM 704 CD PRO B 230 5.956 6.394 1.681 1.00 15.00 C ATOM 0 HA PRO B 230 6.399 4.398 -0.970 1.00 15.00 H new ATOM 0 HB2 PRO B 230 4.269 6.120 -1.175 1.00 15.00 H new ATOM 0 HB3 PRO B 230 4.142 4.855 0.031 1.00 15.00 H new ATOM 0 HG2 PRO B 230 4.885 7.750 0.393 1.00 15.00 H new ATOM 0 HG3 PRO B 230 3.850 6.746 1.390 1.00 15.00 H new ATOM 0 HD2 PRO B 230 6.572 7.267 1.897 1.00 15.00 H new ATOM 0 HD3 PRO B 230 5.640 5.982 2.639 1.00 15.00 H new ATOM 712 N GLU B 231 6.776 5.933 -2.741 1.00 15.00 N ATOM 713 CA GLU B 231 7.094 6.794 -3.862 1.00 15.00 C ATOM 714 C GLU B 231 5.838 6.912 -4.737 1.00 15.00 C ATOM 715 O GLU B 231 5.225 5.894 -5.060 1.00 15.00 O ATOM 716 CB GLU B 231 8.253 6.199 -4.672 1.00 15.00 C ATOM 717 CG GLU B 231 7.962 4.805 -5.209 1.00 15.00 C ATOM 718 CD GLU B 231 9.103 4.231 -6.018 1.00 15.00 C ATOM 719 OE1 GLU B 231 9.190 4.524 -7.226 1.00 15.00 O1- ATOM 720 OE2 GLU B 231 9.904 3.466 -5.449 1.00 15.00 O ATOM 0 H GLU B 231 6.524 4.983 -3.013 1.00 15.00 H new ATOM 0 HA GLU B 231 7.401 7.779 -3.509 1.00 15.00 H new ATOM 0 HB2 GLU B 231 8.481 6.862 -5.507 1.00 15.00 H new ATOM 0 HB3 GLU B 231 9.143 6.160 -4.044 1.00 15.00 H new ATOM 0 HG2 GLU B 231 7.745 4.139 -4.374 1.00 15.00 H new ATOM 0 HG3 GLU B 231 7.067 4.841 -5.829 1.00 15.00 H new ATOM 727 N ASP B 232 5.425 8.123 -5.087 1.00 15.00 N ATOM 728 CA ASP B 232 4.242 8.303 -5.921 1.00 15.00 C ATOM 729 C ASP B 232 4.382 9.563 -6.760 1.00 15.00 C ATOM 730 O ASP B 232 4.456 10.669 -6.222 1.00 15.00 O ATOM 731 CB ASP B 232 2.976 8.373 -5.059 1.00 15.00 C ATOM 732 CG ASP B 232 1.714 8.515 -5.888 1.00 15.00 C ATOM 733 OD1 ASP B 232 1.427 7.618 -6.711 1.00 15.00 O1- ATOM 734 OD2 ASP B 232 0.998 9.525 -5.719 1.00 15.00 O ATOM 0 H ASP B 232 5.887 8.989 -4.810 1.00 15.00 H new ATOM 0 HA ASP B 232 4.153 7.444 -6.587 1.00 15.00 H new ATOM 0 HB2 ASP B 232 2.906 7.473 -4.449 1.00 15.00 H new ATOM 0 HB3 ASP B 232 3.053 9.217 -4.374 1.00 15.00 H new ATOM 739 N PRO B 233 4.459 9.407 -8.091 1.00 15.00 N ATOM 740 CA PRO B 233 4.621 10.530 -9.024 1.00 15.00 C ATOM 741 C PRO B 233 3.477 11.539 -8.933 1.00 15.00 C ATOM 742 O PRO B 233 3.648 12.645 -8.418 1.00 15.00 O ATOM 743 CB PRO B 233 4.640 9.859 -10.404 1.00 15.00 C ATOM 744 CG PRO B 233 4.986 8.433 -10.139 1.00 15.00 C ATOM 745 CD PRO B 233 4.404 8.112 -8.793 1.00 15.00 C ATOM 0 HA PRO B 233 5.521 11.105 -8.807 1.00 15.00 H new ATOM 0 HB2 PRO B 233 3.672 9.944 -10.897 1.00 15.00 H new ATOM 0 HB3 PRO B 233 5.374 10.327 -11.060 1.00 15.00 H new ATOM 0 HG2 PRO B 233 4.573 7.781 -10.909 1.00 15.00 H new ATOM 0 HG3 PRO B 233 6.066 8.286 -10.143 1.00 15.00 H new ATOM 0 HD2 PRO B 233 3.383 7.739 -8.873 1.00 15.00 H new ATOM 0 HD3 PRO B 233 4.983 7.347 -8.275 1.00 15.00 H new HETATM 753 N NH2 B 234 2.317 11.163 -9.445 1.00 15.00 N TER 756 NH2 B 234