USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 502 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 354 THR OG1 : rot 138:sc= -3.05! USER MOD Set 1.2: A 358 ASN : amide:sc= -1.24 K(o=-4.3,f=-4.9!) USER MOD Single : A 315 TYR OH : rot 180:sc= 0 USER MOD Single : A 321 ASN : amide:sc= -0.145 X(o=-0.14,f=-0.28) USER MOD Single : A 324 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 329 LYS NZ :NH3+ 144:sc= -0.292 (180deg=-1.62!) USER MOD Single : A 330 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 334 MET CE :methyl 147:sc= -4.29! (180deg=-8.55!) USER MOD Single : A 338 SER OG : rot -154:sc= -0.47 USER MOD Single : A 339 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 340 LYS NZ :NH3+ -158:sc= -0.452 (180deg=-1.08) USER MOD Single : A 347 SER OG : rot 180:sc= 0 USER MOD Single : A 351 LYS NZ :NH3+ -119:sc= -0.0341 (180deg=-1.43) USER MOD Single : A 355 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 356 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 361 TYR OH : rot 180:sc= 0 USER MOD Single : A 364 TYR OH : rot 180:sc= 0 USER MOD Single : A 365 ASN : amide:sc= -0.05 X(o=-0.05,f=0) USER MOD Single : A 366 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 310 6.979 12.458 -3.509 1.00 0.00 N ATOM 2 CA PHE A 310 5.887 11.594 -3.070 1.00 0.00 C ATOM 3 C PHE A 310 6.161 11.002 -1.690 1.00 0.00 C ATOM 4 O PHE A 310 5.941 11.657 -0.668 1.00 0.00 O ATOM 5 CB PHE A 310 5.646 10.475 -4.086 1.00 0.00 C ATOM 6 CG PHE A 310 5.073 10.926 -5.353 1.00 0.00 C ATOM 7 CD1 PHE A 310 5.890 11.314 -6.381 1.00 0.00 C ATOM 8 CD2 PHE A 310 3.716 10.926 -5.524 1.00 0.00 C ATOM 9 CE1 PHE A 310 5.358 11.703 -7.575 1.00 0.00 C ATOM 10 CE2 PHE A 310 3.169 11.316 -6.707 1.00 0.00 C ATOM 11 CZ PHE A 310 3.988 11.709 -7.750 1.00 0.00 C ATOM 0 HA PHE A 310 4.989 12.209 -3.000 1.00 0.00 H new ATOM 0 HB2 PHE A 310 6.592 9.973 -4.287 1.00 0.00 H new ATOM 0 HB3 PHE A 310 4.980 9.735 -3.643 1.00 0.00 H new ATOM 0 HD1 PHE A 310 6.961 11.312 -6.246 1.00 0.00 H new ATOM 0 HD2 PHE A 310 3.074 10.614 -4.714 1.00 0.00 H new ATOM 0 HE1 PHE A 310 6.007 12.006 -8.383 1.00 0.00 H new ATOM 0 HE2 PHE A 310 2.096 11.319 -6.832 1.00 0.00 H new ATOM 0 HZ PHE A 310 3.560 12.018 -8.692 1.00 0.00 H new ATOM 21 N ALA A 311 6.635 9.759 -1.665 1.00 0.00 N ATOM 22 CA ALA A 311 6.931 9.083 -0.409 1.00 0.00 C ATOM 23 C ALA A 311 8.293 8.406 -0.443 1.00 0.00 C ATOM 24 O ALA A 311 8.790 8.010 -1.498 1.00 0.00 O ATOM 25 CB ALA A 311 5.850 8.060 -0.091 1.00 0.00 C ATOM 0 H ALA A 311 6.821 9.202 -2.499 1.00 0.00 H new ATOM 0 HA ALA A 311 6.952 9.840 0.375 1.00 0.00 H new ATOM 0 HB1 ALA A 311 6.085 7.563 0.850 1.00 0.00 H new ATOM 0 HB2 ALA A 311 4.887 8.563 -0.005 1.00 0.00 H new ATOM 0 HB3 ALA A 311 5.803 7.320 -0.890 1.00 0.00 H new ATOM 31 N ARG A 312 8.883 8.262 0.729 1.00 0.00 N ATOM 32 CA ARG A 312 10.178 7.621 0.860 1.00 0.00 C ATOM 33 C ARG A 312 10.079 6.464 1.835 1.00 0.00 C ATOM 34 O ARG A 312 9.184 6.428 2.673 1.00 0.00 O ATOM 35 CB ARG A 312 11.223 8.619 1.362 1.00 0.00 C ATOM 36 CG ARG A 312 12.646 8.188 1.091 1.00 0.00 C ATOM 37 CD ARG A 312 13.595 8.793 2.097 1.00 0.00 C ATOM 38 NE ARG A 312 14.181 10.041 1.616 1.00 0.00 N ATOM 39 CZ ARG A 312 14.882 10.868 2.385 1.00 0.00 C ATOM 40 NH1 ARG A 312 15.088 10.576 3.662 1.00 0.00 N ATOM 41 NH2 ARG A 312 15.380 11.988 1.876 1.00 0.00 N ATOM 0 H ARG A 312 8.482 8.583 1.610 1.00 0.00 H new ATOM 0 HA ARG A 312 10.483 7.253 -0.119 1.00 0.00 H new ATOM 0 HB2 ARG A 312 11.048 9.585 0.889 1.00 0.00 H new ATOM 0 HB3 ARG A 312 11.093 8.761 2.435 1.00 0.00 H new ATOM 0 HG2 ARG A 312 12.714 7.101 1.129 1.00 0.00 H new ATOM 0 HG3 ARG A 312 12.936 8.490 0.085 1.00 0.00 H new ATOM 0 HD2 ARG A 312 13.064 8.978 3.030 1.00 0.00 H new ATOM 0 HD3 ARG A 312 14.390 8.081 2.319 1.00 0.00 H new ATOM 0 HE ARG A 312 14.045 10.292 0.637 1.00 0.00 H new ATOM 0 HH11 ARG A 312 14.708 9.715 4.056 1.00 0.00 H new ATOM 0 HH12 ARG A 312 15.626 11.212 4.250 1.00 0.00 H new ATOM 0 HH21 ARG A 312 15.225 12.215 0.894 1.00 0.00 H new ATOM 0 HH22 ARG A 312 15.918 12.622 2.467 1.00 0.00 H new ATOM 55 N ALA A 313 10.999 5.523 1.729 1.00 0.00 N ATOM 56 CA ALA A 313 10.987 4.371 2.634 1.00 0.00 C ATOM 57 C ALA A 313 12.008 4.548 3.748 1.00 0.00 C ATOM 58 O ALA A 313 13.210 4.393 3.541 1.00 0.00 O ATOM 59 CB ALA A 313 11.260 3.067 1.895 1.00 0.00 C ATOM 0 H ALA A 313 11.753 5.525 1.042 1.00 0.00 H new ATOM 0 HA ALA A 313 9.988 4.317 3.065 1.00 0.00 H new ATOM 0 HB1 ALA A 313 11.242 2.238 2.602 1.00 0.00 H new ATOM 0 HB2 ALA A 313 10.494 2.912 1.135 1.00 0.00 H new ATOM 0 HB3 ALA A 313 12.239 3.117 1.419 1.00 0.00 H new ATOM 65 N LEU A 314 11.505 4.869 4.936 1.00 0.00 N ATOM 66 CA LEU A 314 12.349 5.064 6.103 1.00 0.00 C ATOM 67 C LEU A 314 13.023 3.757 6.487 1.00 0.00 C ATOM 68 O LEU A 314 14.234 3.705 6.705 1.00 0.00 O ATOM 69 CB LEU A 314 11.512 5.575 7.276 1.00 0.00 C ATOM 70 CG LEU A 314 11.031 7.019 7.150 1.00 0.00 C ATOM 71 CD1 LEU A 314 9.820 7.248 8.039 1.00 0.00 C ATOM 72 CD2 LEU A 314 12.150 7.988 7.504 1.00 0.00 C ATOM 0 H LEU A 314 10.509 5.000 5.113 1.00 0.00 H new ATOM 0 HA LEU A 314 13.114 5.801 5.861 1.00 0.00 H new ATOM 0 HB2 LEU A 314 10.642 4.928 7.391 1.00 0.00 H new ATOM 0 HB3 LEU A 314 12.100 5.483 8.189 1.00 0.00 H new ATOM 0 HG LEU A 314 10.740 7.201 6.115 1.00 0.00 H new ATOM 0 HD11 LEU A 314 9.486 8.281 7.940 1.00 0.00 H new ATOM 0 HD12 LEU A 314 9.016 6.577 7.738 1.00 0.00 H new ATOM 0 HD13 LEU A 314 10.088 7.051 9.077 1.00 0.00 H new ATOM 0 HD21 LEU A 314 11.789 9.012 7.408 1.00 0.00 H new ATOM 0 HD22 LEU A 314 12.473 7.812 8.530 1.00 0.00 H new ATOM 0 HD23 LEU A 314 12.991 7.836 6.827 1.00 0.00 H new ATOM 84 N TYR A 315 12.223 2.698 6.564 1.00 0.00 N ATOM 85 CA TYR A 315 12.726 1.380 6.917 1.00 0.00 C ATOM 86 C TYR A 315 12.286 0.339 5.891 1.00 0.00 C ATOM 87 O TYR A 315 11.181 0.412 5.355 1.00 0.00 O ATOM 88 CB TYR A 315 12.234 0.980 8.309 1.00 0.00 C ATOM 89 CG TYR A 315 12.706 1.907 9.406 1.00 0.00 C ATOM 90 CD1 TYR A 315 13.920 1.692 10.048 1.00 0.00 C ATOM 91 CD2 TYR A 315 11.939 2.997 9.799 1.00 0.00 C ATOM 92 CE1 TYR A 315 14.356 2.538 11.050 1.00 0.00 C ATOM 93 CE2 TYR A 315 12.370 3.847 10.800 1.00 0.00 C ATOM 94 CZ TYR A 315 13.577 3.613 11.423 1.00 0.00 C ATOM 95 OH TYR A 315 14.009 4.457 12.420 1.00 0.00 O ATOM 0 H TYR A 315 11.219 2.730 6.385 1.00 0.00 H new ATOM 0 HA TYR A 315 13.815 1.422 6.923 1.00 0.00 H new ATOM 0 HB2 TYR A 315 11.144 0.957 8.308 1.00 0.00 H new ATOM 0 HB3 TYR A 315 12.574 -0.032 8.529 1.00 0.00 H new ATOM 0 HD1 TYR A 315 14.532 0.850 9.759 1.00 0.00 H new ATOM 0 HD2 TYR A 315 10.992 3.183 9.315 1.00 0.00 H new ATOM 0 HE1 TYR A 315 15.302 2.358 11.539 1.00 0.00 H new ATOM 0 HE2 TYR A 315 11.763 4.691 11.093 1.00 0.00 H new ATOM 0 HH TYR A 315 13.345 5.164 12.561 1.00 0.00 H new ATOM 105 N ASP A 316 13.160 -0.629 5.628 1.00 0.00 N ATOM 106 CA ASP A 316 12.871 -1.694 4.672 1.00 0.00 C ATOM 107 C ASP A 316 11.548 -2.380 5.010 1.00 0.00 C ATOM 108 O ASP A 316 11.432 -3.026 6.052 1.00 0.00 O ATOM 109 CB ASP A 316 14.014 -2.716 4.682 1.00 0.00 C ATOM 110 CG ASP A 316 13.624 -4.054 4.082 1.00 0.00 C ATOM 111 OD1 ASP A 316 12.935 -4.837 4.769 1.00 0.00 O ATOM 112 OD2 ASP A 316 14.016 -4.322 2.927 1.00 0.00 O ATOM 0 H ASP A 316 14.079 -0.698 6.066 1.00 0.00 H new ATOM 0 HA ASP A 316 12.783 -1.259 3.677 1.00 0.00 H new ATOM 0 HB2 ASP A 316 14.861 -2.310 4.129 1.00 0.00 H new ATOM 0 HB3 ASP A 316 14.347 -2.869 5.708 1.00 0.00 H new ATOM 117 N PHE A 317 10.549 -2.242 4.135 1.00 0.00 N ATOM 118 CA PHE A 317 9.258 -2.859 4.380 1.00 0.00 C ATOM 119 C PHE A 317 9.170 -4.230 3.704 1.00 0.00 C ATOM 120 O PHE A 317 9.975 -4.550 2.830 1.00 0.00 O ATOM 121 CB PHE A 317 8.113 -1.941 3.932 1.00 0.00 C ATOM 122 CG PHE A 317 6.743 -2.496 4.208 1.00 0.00 C ATOM 123 CD1 PHE A 317 6.261 -2.593 5.507 1.00 0.00 C ATOM 124 CD2 PHE A 317 5.939 -2.929 3.168 1.00 0.00 C ATOM 125 CE1 PHE A 317 5.006 -3.110 5.756 1.00 0.00 C ATOM 126 CE2 PHE A 317 4.682 -3.446 3.413 1.00 0.00 C ATOM 127 CZ PHE A 317 4.215 -3.537 4.708 1.00 0.00 C ATOM 0 H PHE A 317 10.614 -1.715 3.264 1.00 0.00 H new ATOM 0 HA PHE A 317 9.156 -3.011 5.454 1.00 0.00 H new ATOM 0 HB2 PHE A 317 8.213 -0.980 4.436 1.00 0.00 H new ATOM 0 HB3 PHE A 317 8.209 -1.752 2.863 1.00 0.00 H new ATOM 0 HD1 PHE A 317 6.875 -2.260 6.331 1.00 0.00 H new ATOM 0 HD2 PHE A 317 6.299 -2.862 2.152 1.00 0.00 H new ATOM 0 HE1 PHE A 317 4.643 -3.181 6.771 1.00 0.00 H new ATOM 0 HE2 PHE A 317 4.065 -3.779 2.591 1.00 0.00 H new ATOM 0 HZ PHE A 317 3.233 -3.941 4.902 1.00 0.00 H new ATOM 137 N VAL A 318 8.197 -5.041 4.123 1.00 0.00 N ATOM 138 CA VAL A 318 8.015 -6.379 3.573 1.00 0.00 C ATOM 139 C VAL A 318 6.547 -6.797 3.658 1.00 0.00 C ATOM 140 O VAL A 318 5.882 -6.535 4.660 1.00 0.00 O ATOM 141 CB VAL A 318 8.888 -7.412 4.327 1.00 0.00 C ATOM 142 CG1 VAL A 318 8.482 -8.839 3.983 1.00 0.00 C ATOM 143 CG2 VAL A 318 10.362 -7.193 4.021 1.00 0.00 C ATOM 0 H VAL A 318 7.522 -4.790 4.845 1.00 0.00 H new ATOM 0 HA VAL A 318 8.324 -6.353 2.528 1.00 0.00 H new ATOM 0 HB VAL A 318 8.726 -7.265 5.395 1.00 0.00 H new ATOM 0 HG11 VAL A 318 9.114 -9.539 4.529 1.00 0.00 H new ATOM 0 HG12 VAL A 318 7.440 -8.998 4.261 1.00 0.00 H new ATOM 0 HG13 VAL A 318 8.600 -9.003 2.912 1.00 0.00 H new ATOM 0 HG21 VAL A 318 10.959 -7.929 4.560 1.00 0.00 H new ATOM 0 HG22 VAL A 318 10.531 -7.303 2.950 1.00 0.00 H new ATOM 0 HG23 VAL A 318 10.653 -6.190 4.333 1.00 0.00 H new ATOM 153 N PRO A 319 6.018 -7.445 2.602 1.00 0.00 N ATOM 154 CA PRO A 319 4.622 -7.887 2.564 1.00 0.00 C ATOM 155 C PRO A 319 4.176 -8.578 3.845 1.00 0.00 C ATOM 156 O PRO A 319 4.669 -9.655 4.183 1.00 0.00 O ATOM 157 CB PRO A 319 4.597 -8.871 1.398 1.00 0.00 C ATOM 158 CG PRO A 319 5.663 -8.389 0.481 1.00 0.00 C ATOM 159 CD PRO A 319 6.735 -7.792 1.357 1.00 0.00 C ATOM 0 HA PRO A 319 3.941 -7.043 2.455 1.00 0.00 H new ATOM 0 HB2 PRO A 319 4.793 -9.889 1.734 1.00 0.00 H new ATOM 0 HB3 PRO A 319 3.624 -8.879 0.906 1.00 0.00 H new ATOM 0 HG2 PRO A 319 6.061 -9.208 -0.117 1.00 0.00 H new ATOM 0 HG3 PRO A 319 5.271 -7.647 -0.215 1.00 0.00 H new ATOM 0 HD2 PRO A 319 7.541 -8.502 1.544 1.00 0.00 H new ATOM 0 HD3 PRO A 319 7.185 -6.913 0.896 1.00 0.00 H new ATOM 167 N GLU A 320 3.226 -7.961 4.545 1.00 0.00 N ATOM 168 CA GLU A 320 2.700 -8.533 5.775 1.00 0.00 C ATOM 169 C GLU A 320 2.146 -9.920 5.490 1.00 0.00 C ATOM 170 O GLU A 320 2.330 -10.850 6.275 1.00 0.00 O ATOM 171 CB GLU A 320 1.608 -7.638 6.366 1.00 0.00 C ATOM 172 CG GLU A 320 1.299 -7.939 7.824 1.00 0.00 C ATOM 173 CD GLU A 320 0.464 -6.856 8.479 1.00 0.00 C ATOM 174 OE1 GLU A 320 0.699 -5.665 8.184 1.00 0.00 O ATOM 175 OE2 GLU A 320 -0.423 -7.200 9.288 1.00 0.00 O ATOM 0 H GLU A 320 2.809 -7.069 4.280 1.00 0.00 H new ATOM 0 HA GLU A 320 3.507 -8.607 6.504 1.00 0.00 H new ATOM 0 HB2 GLU A 320 1.915 -6.596 6.276 1.00 0.00 H new ATOM 0 HB3 GLU A 320 0.697 -7.754 5.779 1.00 0.00 H new ATOM 0 HG2 GLU A 320 0.771 -8.890 7.891 1.00 0.00 H new ATOM 0 HG3 GLU A 320 2.233 -8.054 8.373 1.00 0.00 H new ATOM 182 N ASN A 321 1.487 -10.053 4.341 1.00 0.00 N ATOM 183 CA ASN A 321 0.928 -11.327 3.924 1.00 0.00 C ATOM 184 C ASN A 321 1.375 -11.634 2.502 1.00 0.00 C ATOM 185 O ASN A 321 1.429 -10.737 1.662 1.00 0.00 O ATOM 186 CB ASN A 321 -0.600 -11.295 4.002 1.00 0.00 C ATOM 187 CG ASN A 321 -1.161 -12.445 4.817 1.00 0.00 C ATOM 188 OD1 ASN A 321 -0.670 -12.748 5.904 1.00 0.00 O ATOM 189 ND2 ASN A 321 -2.198 -13.090 4.294 1.00 0.00 N ATOM 0 H ASN A 321 1.329 -9.289 3.684 1.00 0.00 H new ATOM 0 HA ASN A 321 1.287 -12.109 4.593 1.00 0.00 H new ATOM 0 HB2 ASN A 321 -0.919 -10.351 4.443 1.00 0.00 H new ATOM 0 HB3 ASN A 321 -1.014 -11.332 2.994 1.00 0.00 H new ATOM 0 HD21 ASN A 321 -2.619 -13.871 4.797 1.00 0.00 H new ATOM 0 HD22 ASN A 321 -2.573 -12.804 3.389 1.00 0.00 H new ATOM 196 N PRO A 322 1.713 -12.902 2.208 1.00 0.00 N ATOM 197 CA PRO A 322 2.158 -13.300 0.873 1.00 0.00 C ATOM 198 C PRO A 322 0.996 -13.381 -0.106 1.00 0.00 C ATOM 199 O PRO A 322 0.827 -14.378 -0.808 1.00 0.00 O ATOM 200 CB PRO A 322 2.766 -14.683 1.106 1.00 0.00 C ATOM 201 CG PRO A 322 2.017 -15.224 2.274 1.00 0.00 C ATOM 202 CD PRO A 322 1.694 -14.040 3.148 1.00 0.00 C ATOM 0 HA PRO A 322 2.855 -12.586 0.434 1.00 0.00 H new ATOM 0 HB2 PRO A 322 2.650 -15.321 0.230 1.00 0.00 H new ATOM 0 HB3 PRO A 322 3.834 -14.618 1.314 1.00 0.00 H new ATOM 0 HG2 PRO A 322 1.107 -15.731 1.953 1.00 0.00 H new ATOM 0 HG3 PRO A 322 2.616 -15.956 2.816 1.00 0.00 H new ATOM 0 HD2 PRO A 322 0.721 -14.148 3.627 1.00 0.00 H new ATOM 0 HD3 PRO A 322 2.429 -13.916 3.943 1.00 0.00 H new ATOM 210 N GLU A 323 0.193 -12.323 -0.144 1.00 0.00 N ATOM 211 CA GLU A 323 -0.957 -12.273 -1.032 1.00 0.00 C ATOM 212 C GLU A 323 -1.076 -10.908 -1.702 1.00 0.00 C ATOM 213 O GLU A 323 -1.440 -10.822 -2.876 1.00 0.00 O ATOM 214 CB GLU A 323 -2.240 -12.611 -0.264 1.00 0.00 C ATOM 215 CG GLU A 323 -2.766 -11.476 0.602 1.00 0.00 C ATOM 216 CD GLU A 323 -4.006 -11.864 1.386 1.00 0.00 C ATOM 217 OE1 GLU A 323 -4.652 -12.868 1.018 1.00 0.00 O ATOM 218 OE2 GLU A 323 -4.330 -11.164 2.368 1.00 0.00 O ATOM 0 H GLU A 323 0.319 -11.490 0.431 1.00 0.00 H new ATOM 0 HA GLU A 323 -0.813 -13.018 -1.815 1.00 0.00 H new ATOM 0 HB2 GLU A 323 -3.013 -12.897 -0.978 1.00 0.00 H new ATOM 0 HB3 GLU A 323 -2.054 -13.479 0.368 1.00 0.00 H new ATOM 0 HG2 GLU A 323 -1.986 -11.162 1.296 1.00 0.00 H new ATOM 0 HG3 GLU A 323 -2.994 -10.618 -0.030 1.00 0.00 H new ATOM 225 N MET A 324 -0.771 -9.836 -0.966 1.00 0.00 N ATOM 226 CA MET A 324 -0.859 -8.496 -1.538 1.00 0.00 C ATOM 227 C MET A 324 -0.152 -7.440 -0.691 1.00 0.00 C ATOM 228 O MET A 324 -0.716 -6.931 0.278 1.00 0.00 O ATOM 229 CB MET A 324 -2.327 -8.112 -1.662 1.00 0.00 C ATOM 230 CG MET A 324 -2.562 -6.813 -2.416 1.00 0.00 C ATOM 231 SD MET A 324 -4.083 -5.986 -1.918 1.00 0.00 S ATOM 232 CE MET A 324 -5.216 -6.572 -3.177 1.00 0.00 C ATOM 0 H MET A 324 -0.467 -9.870 0.007 1.00 0.00 H new ATOM 0 HA MET A 324 -0.364 -8.525 -2.509 1.00 0.00 H new ATOM 0 HB2 MET A 324 -2.861 -8.916 -2.168 1.00 0.00 H new ATOM 0 HB3 MET A 324 -2.755 -8.024 -0.663 1.00 0.00 H new ATOM 0 HG2 MET A 324 -1.718 -6.143 -2.250 1.00 0.00 H new ATOM 0 HG3 MET A 324 -2.599 -7.020 -3.486 1.00 0.00 H new ATOM 0 HE1 MET A 324 -6.204 -6.146 -3.004 1.00 0.00 H new ATOM 0 HE2 MET A 324 -4.857 -6.268 -4.160 1.00 0.00 H new ATOM 0 HE3 MET A 324 -5.277 -7.659 -3.134 1.00 0.00 H new ATOM 242 N GLU A 325 1.061 -7.077 -1.094 1.00 0.00 N ATOM 243 CA GLU A 325 1.816 -6.035 -0.405 1.00 0.00 C ATOM 244 C GLU A 325 3.067 -5.655 -1.177 1.00 0.00 C ATOM 245 O GLU A 325 3.465 -6.339 -2.120 1.00 0.00 O ATOM 246 CB GLU A 325 2.167 -6.420 1.026 1.00 0.00 C ATOM 247 CG GLU A 325 2.055 -5.250 1.987 1.00 0.00 C ATOM 248 CD GLU A 325 1.455 -5.645 3.324 1.00 0.00 C ATOM 249 OE1 GLU A 325 0.957 -6.784 3.438 1.00 0.00 O ATOM 250 OE2 GLU A 325 1.481 -4.813 4.254 1.00 0.00 O ATOM 0 H GLU A 325 1.543 -7.488 -1.894 1.00 0.00 H new ATOM 0 HA GLU A 325 1.163 -5.164 -0.355 1.00 0.00 H new ATOM 0 HB2 GLU A 325 1.506 -7.221 1.356 1.00 0.00 H new ATOM 0 HB3 GLU A 325 3.183 -6.813 1.054 1.00 0.00 H new ATOM 0 HG2 GLU A 325 3.045 -4.823 2.150 1.00 0.00 H new ATOM 0 HG3 GLU A 325 1.442 -4.471 1.534 1.00 0.00 H new ATOM 257 N VAL A 326 3.685 -4.562 -0.761 1.00 0.00 N ATOM 258 CA VAL A 326 4.902 -4.082 -1.401 1.00 0.00 C ATOM 259 C VAL A 326 6.119 -4.366 -0.526 1.00 0.00 C ATOM 260 O VAL A 326 6.028 -4.359 0.699 1.00 0.00 O ATOM 261 CB VAL A 326 4.826 -2.568 -1.723 1.00 0.00 C ATOM 262 CG1 VAL A 326 3.753 -1.876 -0.898 1.00 0.00 C ATOM 263 CG2 VAL A 326 6.175 -1.903 -1.509 1.00 0.00 C ATOM 0 H VAL A 326 3.364 -3.988 0.019 1.00 0.00 H new ATOM 0 HA VAL A 326 5.004 -4.621 -2.343 1.00 0.00 H new ATOM 0 HB VAL A 326 4.553 -2.469 -2.774 1.00 0.00 H new ATOM 0 HG11 VAL A 326 3.728 -0.816 -1.150 1.00 0.00 H new ATOM 0 HG12 VAL A 326 2.783 -2.323 -1.114 1.00 0.00 H new ATOM 0 HG13 VAL A 326 3.978 -1.992 0.162 1.00 0.00 H new ATOM 0 HG21 VAL A 326 6.098 -0.841 -1.741 1.00 0.00 H new ATOM 0 HG22 VAL A 326 6.481 -2.026 -0.470 1.00 0.00 H new ATOM 0 HG23 VAL A 326 6.916 -2.364 -2.162 1.00 0.00 H new ATOM 273 N ALA A 327 7.258 -4.608 -1.165 1.00 0.00 N ATOM 274 CA ALA A 327 8.494 -4.879 -0.446 1.00 0.00 C ATOM 275 C ALA A 327 9.427 -3.678 -0.530 1.00 0.00 C ATOM 276 O ALA A 327 9.940 -3.356 -1.601 1.00 0.00 O ATOM 277 CB ALA A 327 9.173 -6.121 -1.004 1.00 0.00 C ATOM 0 H ALA A 327 7.350 -4.622 -2.181 1.00 0.00 H new ATOM 0 HA ALA A 327 8.254 -5.060 0.602 1.00 0.00 H new ATOM 0 HB1 ALA A 327 10.096 -6.309 -0.455 1.00 0.00 H new ATOM 0 HB2 ALA A 327 8.507 -6.978 -0.899 1.00 0.00 H new ATOM 0 HB3 ALA A 327 9.403 -5.967 -2.058 1.00 0.00 H new ATOM 283 N LEU A 328 9.631 -3.006 0.599 1.00 0.00 N ATOM 284 CA LEU A 328 10.491 -1.829 0.630 1.00 0.00 C ATOM 285 C LEU A 328 11.836 -2.129 1.259 1.00 0.00 C ATOM 286 O LEU A 328 11.969 -3.054 2.055 1.00 0.00 O ATOM 287 CB LEU A 328 9.831 -0.698 1.401 1.00 0.00 C ATOM 288 CG LEU A 328 8.653 -0.026 0.695 1.00 0.00 C ATOM 289 CD1 LEU A 328 8.229 1.233 1.434 1.00 0.00 C ATOM 290 CD2 LEU A 328 8.995 0.295 -0.751 1.00 0.00 C ATOM 0 H LEU A 328 9.216 -3.254 1.497 1.00 0.00 H new ATOM 0 HA LEU A 328 10.648 -1.529 -0.406 1.00 0.00 H new ATOM 0 HB2 LEU A 328 9.485 -1.087 2.359 1.00 0.00 H new ATOM 0 HB3 LEU A 328 10.584 0.060 1.617 1.00 0.00 H new ATOM 0 HG LEU A 328 7.817 -0.726 0.699 1.00 0.00 H new ATOM 0 HD11 LEU A 328 7.390 1.695 0.914 1.00 0.00 H new ATOM 0 HD12 LEU A 328 7.929 0.975 2.450 1.00 0.00 H new ATOM 0 HD13 LEU A 328 9.064 1.933 1.469 1.00 0.00 H new ATOM 0 HD21 LEU A 328 8.140 0.772 -1.230 1.00 0.00 H new ATOM 0 HD22 LEU A 328 9.851 0.969 -0.781 1.00 0.00 H new ATOM 0 HD23 LEU A 328 9.240 -0.626 -1.280 1.00 0.00 H new ATOM 302 N LYS A 329 12.821 -1.317 0.905 1.00 0.00 N ATOM 303 CA LYS A 329 14.173 -1.460 1.429 1.00 0.00 C ATOM 304 C LYS A 329 14.766 -0.091 1.743 1.00 0.00 C ATOM 305 O LYS A 329 14.918 0.737 0.849 1.00 0.00 O ATOM 306 CB LYS A 329 15.056 -2.197 0.420 1.00 0.00 C ATOM 307 CG LYS A 329 16.540 -2.144 0.751 1.00 0.00 C ATOM 308 CD LYS A 329 17.315 -1.371 -0.303 1.00 0.00 C ATOM 309 CE LYS A 329 18.442 -2.208 -0.888 1.00 0.00 C ATOM 310 NZ LYS A 329 17.992 -3.587 -1.223 1.00 0.00 N ATOM 0 H LYS A 329 12.708 -0.544 0.250 1.00 0.00 H new ATOM 0 HA LYS A 329 14.130 -2.042 2.349 1.00 0.00 H new ATOM 0 HB2 LYS A 329 14.741 -3.239 0.369 1.00 0.00 H new ATOM 0 HB3 LYS A 329 14.898 -1.767 -0.569 1.00 0.00 H new ATOM 0 HG2 LYS A 329 16.681 -1.675 1.725 1.00 0.00 H new ATOM 0 HG3 LYS A 329 16.934 -3.157 0.825 1.00 0.00 H new ATOM 0 HD2 LYS A 329 16.639 -1.061 -1.100 1.00 0.00 H new ATOM 0 HD3 LYS A 329 17.725 -0.463 0.138 1.00 0.00 H new ATOM 0 HE2 LYS A 329 18.826 -1.723 -1.786 1.00 0.00 H new ATOM 0 HE3 LYS A 329 19.265 -2.258 -0.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 329 18.472 -3.908 -2.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 329 18.225 -4.229 -0.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 329 16.963 -3.589 -1.377 1.00 0.00 H new ATOM 324 N LYS A 330 15.082 0.126 3.022 1.00 0.00 N ATOM 325 CA LYS A 330 15.654 1.389 3.507 1.00 0.00 C ATOM 326 C LYS A 330 16.215 2.252 2.386 1.00 0.00 C ATOM 327 O LYS A 330 17.139 1.851 1.676 1.00 0.00 O ATOM 328 CB LYS A 330 16.741 1.106 4.535 1.00 0.00 C ATOM 329 CG LYS A 330 16.247 1.188 5.952 1.00 0.00 C ATOM 330 CD LYS A 330 17.394 1.252 6.946 1.00 0.00 C ATOM 331 CE LYS A 330 17.017 0.612 8.273 1.00 0.00 C ATOM 332 NZ LYS A 330 17.993 0.944 9.346 1.00 0.00 N ATOM 0 H LYS A 330 14.949 -0.571 3.755 1.00 0.00 H new ATOM 0 HA LYS A 330 14.841 1.951 3.967 1.00 0.00 H new ATOM 0 HB2 LYS A 330 17.152 0.112 4.357 1.00 0.00 H new ATOM 0 HB3 LYS A 330 17.556 1.817 4.399 1.00 0.00 H new ATOM 0 HG2 LYS A 330 15.617 2.070 6.067 1.00 0.00 H new ATOM 0 HG3 LYS A 330 15.624 0.321 6.171 1.00 0.00 H new ATOM 0 HD2 LYS A 330 18.265 0.745 6.531 1.00 0.00 H new ATOM 0 HD3 LYS A 330 17.678 2.292 7.110 1.00 0.00 H new ATOM 0 HE2 LYS A 330 16.023 0.949 8.569 1.00 0.00 H new ATOM 0 HE3 LYS A 330 16.964 -0.470 8.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 330 17.701 0.489 10.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 330 18.937 0.601 9.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 330 18.025 1.975 9.479 1.00 0.00 H new ATOM 346 N GLY A 331 15.642 3.441 2.234 1.00 0.00 N ATOM 347 CA GLY A 331 16.079 4.354 1.199 1.00 0.00 C ATOM 348 C GLY A 331 15.208 4.267 -0.036 1.00 0.00 C ATOM 349 O GLY A 331 15.285 5.119 -0.921 1.00 0.00 O ATOM 0 H GLY A 331 14.878 3.788 2.814 1.00 0.00 H new ATOM 0 HA2 GLY A 331 16.062 5.374 1.584 1.00 0.00 H new ATOM 0 HA3 GLY A 331 17.112 4.131 0.931 1.00 0.00 H new ATOM 353 N ASP A 332 14.376 3.230 -0.095 1.00 0.00 N ATOM 354 CA ASP A 332 13.495 3.023 -1.208 1.00 0.00 C ATOM 355 C ASP A 332 12.451 4.134 -1.276 1.00 0.00 C ATOM 356 O ASP A 332 11.728 4.357 -0.326 1.00 0.00 O ATOM 357 CB ASP A 332 12.831 1.652 -1.075 1.00 0.00 C ATOM 358 CG ASP A 332 12.325 1.119 -2.400 1.00 0.00 C ATOM 359 OD1 ASP A 332 12.748 1.643 -3.452 1.00 0.00 O ATOM 360 OD2 ASP A 332 11.510 0.173 -2.388 1.00 0.00 O ATOM 0 H ASP A 332 14.304 2.519 0.633 1.00 0.00 H new ATOM 0 HA ASP A 332 14.067 3.051 -2.136 1.00 0.00 H new ATOM 0 HB2 ASP A 332 13.546 0.946 -0.652 1.00 0.00 H new ATOM 0 HB3 ASP A 332 11.999 1.722 -0.374 1.00 0.00 H new ATOM 365 N LEU A 333 12.366 4.844 -2.388 1.00 0.00 N ATOM 366 CA LEU A 333 11.391 5.928 -2.484 1.00 0.00 C ATOM 367 C LEU A 333 10.178 5.483 -3.303 1.00 0.00 C ATOM 368 O LEU A 333 10.318 5.085 -4.460 1.00 0.00 O ATOM 369 CB LEU A 333 12.022 7.158 -3.139 1.00 0.00 C ATOM 370 CG LEU A 333 12.859 8.039 -2.217 1.00 0.00 C ATOM 371 CD1 LEU A 333 14.341 7.873 -2.517 1.00 0.00 C ATOM 372 CD2 LEU A 333 12.444 9.495 -2.355 1.00 0.00 C ATOM 0 H LEU A 333 12.941 4.700 -3.218 1.00 0.00 H new ATOM 0 HA LEU A 333 11.069 6.185 -1.475 1.00 0.00 H new ATOM 0 HB2 LEU A 333 12.652 6.825 -3.964 1.00 0.00 H new ATOM 0 HB3 LEU A 333 11.227 7.766 -3.570 1.00 0.00 H new ATOM 0 HG LEU A 333 12.683 7.726 -1.188 1.00 0.00 H new ATOM 0 HD11 LEU A 333 14.921 8.510 -1.849 1.00 0.00 H new ATOM 0 HD12 LEU A 333 14.628 6.832 -2.367 1.00 0.00 H new ATOM 0 HD13 LEU A 333 14.537 8.158 -3.551 1.00 0.00 H new ATOM 0 HD21 LEU A 333 13.050 10.111 -1.691 1.00 0.00 H new ATOM 0 HD22 LEU A 333 12.591 9.819 -3.385 1.00 0.00 H new ATOM 0 HD23 LEU A 333 11.392 9.600 -2.088 1.00 0.00 H new ATOM 384 N MET A 334 8.994 5.535 -2.693 1.00 0.00 N ATOM 385 CA MET A 334 7.759 5.111 -3.357 1.00 0.00 C ATOM 386 C MET A 334 6.724 6.235 -3.409 1.00 0.00 C ATOM 387 O MET A 334 6.858 7.242 -2.723 1.00 0.00 O ATOM 388 CB MET A 334 7.191 3.887 -2.642 1.00 0.00 C ATOM 389 CG MET A 334 7.808 2.578 -3.094 1.00 0.00 C ATOM 390 SD MET A 334 9.607 2.566 -2.998 1.00 0.00 S ATOM 391 CE MET A 334 10.046 2.207 -4.698 1.00 0.00 C ATOM 0 H MET A 334 8.863 5.867 -1.738 1.00 0.00 H new ATOM 0 HA MET A 334 7.998 4.852 -4.388 1.00 0.00 H new ATOM 0 HB2 MET A 334 7.345 4.000 -1.569 1.00 0.00 H new ATOM 0 HB3 MET A 334 6.114 3.847 -2.807 1.00 0.00 H new ATOM 0 HG2 MET A 334 7.413 1.768 -2.481 1.00 0.00 H new ATOM 0 HG3 MET A 334 7.505 2.377 -4.122 1.00 0.00 H new ATOM 0 HE1 MET A 334 10.980 2.711 -4.947 1.00 0.00 H new ATOM 0 HE2 MET A 334 10.169 1.131 -4.823 1.00 0.00 H new ATOM 0 HE3 MET A 334 9.256 2.561 -5.360 1.00 0.00 H new ATOM 401 N ALA A 335 5.692 6.065 -4.234 1.00 0.00 N ATOM 402 CA ALA A 335 4.646 7.081 -4.367 1.00 0.00 C ATOM 403 C ALA A 335 3.389 6.659 -3.619 1.00 0.00 C ATOM 404 O ALA A 335 2.882 5.560 -3.826 1.00 0.00 O ATOM 405 CB ALA A 335 4.330 7.329 -5.835 1.00 0.00 C ATOM 0 H ALA A 335 5.557 5.239 -4.817 1.00 0.00 H new ATOM 0 HA ALA A 335 5.012 8.009 -3.928 1.00 0.00 H new ATOM 0 HB1 ALA A 335 3.551 8.087 -5.916 1.00 0.00 H new ATOM 0 HB2 ALA A 335 5.228 7.675 -6.347 1.00 0.00 H new ATOM 0 HB3 ALA A 335 3.985 6.403 -6.294 1.00 0.00 H new ATOM 411 N ILE A 336 2.887 7.526 -2.745 1.00 0.00 N ATOM 412 CA ILE A 336 1.702 7.196 -1.960 1.00 0.00 C ATOM 413 C ILE A 336 0.455 7.808 -2.565 1.00 0.00 C ATOM 414 O ILE A 336 0.468 8.934 -3.062 1.00 0.00 O ATOM 415 CB ILE A 336 1.830 7.673 -0.499 1.00 0.00 C ATOM 416 CG1 ILE A 336 2.385 9.098 -0.446 1.00 0.00 C ATOM 417 CG2 ILE A 336 2.712 6.723 0.296 1.00 0.00 C ATOM 418 CD1 ILE A 336 2.002 9.853 0.809 1.00 0.00 C ATOM 0 H ILE A 336 3.276 8.451 -2.564 1.00 0.00 H new ATOM 0 HA ILE A 336 1.619 6.109 -1.972 1.00 0.00 H new ATOM 0 HB ILE A 336 0.837 7.676 -0.049 1.00 0.00 H new ATOM 0 HG12 ILE A 336 3.472 9.058 -0.518 1.00 0.00 H new ATOM 0 HG13 ILE A 336 2.028 9.650 -1.315 1.00 0.00 H new ATOM 0 HG21 ILE A 336 2.791 7.075 1.325 1.00 0.00 H new ATOM 0 HG22 ILE A 336 2.273 5.725 0.287 1.00 0.00 H new ATOM 0 HG23 ILE A 336 3.705 6.687 -0.153 1.00 0.00 H new ATOM 0 HD11 ILE A 336 2.431 10.855 0.776 1.00 0.00 H new ATOM 0 HD12 ILE A 336 0.916 9.925 0.873 1.00 0.00 H new ATOM 0 HD13 ILE A 336 2.383 9.324 1.682 1.00 0.00 H new ATOM 430 N LEU A 337 -0.616 7.025 -2.548 1.00 0.00 N ATOM 431 CA LEU A 337 -1.881 7.445 -3.124 1.00 0.00 C ATOM 432 C LEU A 337 -3.002 7.445 -2.088 1.00 0.00 C ATOM 433 O LEU A 337 -3.496 8.503 -1.694 1.00 0.00 O ATOM 434 CB LEU A 337 -2.231 6.507 -4.281 1.00 0.00 C ATOM 435 CG LEU A 337 -1.444 6.735 -5.579 1.00 0.00 C ATOM 436 CD1 LEU A 337 -1.450 8.207 -5.970 1.00 0.00 C ATOM 437 CD2 LEU A 337 -0.017 6.224 -5.434 1.00 0.00 C ATOM 0 H LEU A 337 -0.630 6.091 -2.138 1.00 0.00 H new ATOM 0 HA LEU A 337 -1.777 8.468 -3.486 1.00 0.00 H new ATOM 0 HB2 LEU A 337 -2.069 5.480 -3.954 1.00 0.00 H new ATOM 0 HB3 LEU A 337 -3.294 6.608 -4.499 1.00 0.00 H new ATOM 0 HG LEU A 337 -1.933 6.174 -6.375 1.00 0.00 H new ATOM 0 HD11 LEU A 337 -0.886 8.341 -6.893 1.00 0.00 H new ATOM 0 HD12 LEU A 337 -2.477 8.539 -6.122 1.00 0.00 H new ATOM 0 HD13 LEU A 337 -0.992 8.796 -5.176 1.00 0.00 H new ATOM 0 HD21 LEU A 337 0.526 6.394 -6.364 1.00 0.00 H new ATOM 0 HD22 LEU A 337 0.479 6.755 -4.622 1.00 0.00 H new ATOM 0 HD23 LEU A 337 -0.033 5.157 -5.213 1.00 0.00 H new ATOM 449 N SER A 338 -3.407 6.254 -1.660 1.00 0.00 N ATOM 450 CA SER A 338 -4.481 6.110 -0.682 1.00 0.00 C ATOM 451 C SER A 338 -4.111 6.735 0.657 1.00 0.00 C ATOM 452 O SER A 338 -2.970 7.143 0.877 1.00 0.00 O ATOM 453 CB SER A 338 -4.820 4.633 -0.480 1.00 0.00 C ATOM 454 OG SER A 338 -5.449 4.091 -1.629 1.00 0.00 O ATOM 0 H SER A 338 -3.006 5.371 -1.976 1.00 0.00 H new ATOM 0 HA SER A 338 -5.351 6.636 -1.074 1.00 0.00 H new ATOM 0 HB2 SER A 338 -3.910 4.074 -0.263 1.00 0.00 H new ATOM 0 HB3 SER A 338 -5.476 4.522 0.384 1.00 0.00 H new ATOM 0 HG SER A 338 -6.016 3.336 -1.366 1.00 0.00 H new ATOM 460 N LYS A 339 -5.094 6.794 1.550 1.00 0.00 N ATOM 461 CA LYS A 339 -4.911 7.352 2.881 1.00 0.00 C ATOM 462 C LYS A 339 -5.435 6.339 3.881 1.00 0.00 C ATOM 463 O LYS A 339 -4.926 5.220 3.939 1.00 0.00 O ATOM 464 CB LYS A 339 -5.680 8.661 2.972 1.00 0.00 C ATOM 465 CG LYS A 339 -4.827 9.894 2.706 1.00 0.00 C ATOM 466 CD LYS A 339 -4.318 9.925 1.273 1.00 0.00 C ATOM 467 CE LYS A 339 -2.864 10.366 1.207 1.00 0.00 C ATOM 468 NZ LYS A 339 -2.622 11.312 0.083 1.00 0.00 N ATOM 0 H LYS A 339 -6.039 6.456 1.369 1.00 0.00 H new ATOM 0 HA LYS A 339 -3.861 7.557 3.091 1.00 0.00 H new ATOM 0 HB2 LYS A 339 -6.503 8.639 2.257 1.00 0.00 H new ATOM 0 HB3 LYS A 339 -6.122 8.744 3.965 1.00 0.00 H new ATOM 0 HG2 LYS A 339 -5.413 10.792 2.904 1.00 0.00 H new ATOM 0 HG3 LYS A 339 -3.981 9.907 3.393 1.00 0.00 H new ATOM 0 HD2 LYS A 339 -4.419 8.935 0.828 1.00 0.00 H new ATOM 0 HD3 LYS A 339 -4.932 10.604 0.682 1.00 0.00 H new ATOM 0 HE2 LYS A 339 -2.585 10.841 2.148 1.00 0.00 H new ATOM 0 HE3 LYS A 339 -2.224 9.491 1.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 339 -1.620 11.589 0.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 339 -2.864 10.851 -0.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 339 -3.214 12.158 0.208 1.00 0.00 H new ATOM 482 N LYS A 340 -6.507 6.676 4.601 1.00 0.00 N ATOM 483 CA LYS A 340 -7.114 5.703 5.491 1.00 0.00 C ATOM 484 C LYS A 340 -7.437 4.503 4.620 1.00 0.00 C ATOM 485 O LYS A 340 -7.497 3.362 5.074 1.00 0.00 O ATOM 486 CB LYS A 340 -8.386 6.256 6.124 1.00 0.00 C ATOM 487 CG LYS A 340 -8.422 6.084 7.629 1.00 0.00 C ATOM 488 CD LYS A 340 -9.086 4.780 8.011 1.00 0.00 C ATOM 489 CE LYS A 340 -8.918 4.492 9.490 1.00 0.00 C ATOM 490 NZ LYS A 340 -10.220 4.504 10.212 1.00 0.00 N ATOM 0 H LYS A 340 -6.958 7.591 4.583 1.00 0.00 H new ATOM 0 HA LYS A 340 -6.445 5.445 6.312 1.00 0.00 H new ATOM 0 HB2 LYS A 340 -8.474 7.315 5.883 1.00 0.00 H new ATOM 0 HB3 LYS A 340 -9.250 5.756 5.686 1.00 0.00 H new ATOM 0 HG2 LYS A 340 -7.407 6.109 8.026 1.00 0.00 H new ATOM 0 HG3 LYS A 340 -8.961 6.917 8.081 1.00 0.00 H new ATOM 0 HD2 LYS A 340 -10.147 4.823 7.764 1.00 0.00 H new ATOM 0 HD3 LYS A 340 -8.656 3.965 7.428 1.00 0.00 H new ATOM 0 HE2 LYS A 340 -8.441 3.520 9.618 1.00 0.00 H new ATOM 0 HE3 LYS A 340 -8.252 5.234 9.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 340 -10.054 4.677 11.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 340 -10.824 5.258 9.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 340 -10.693 3.586 10.091 1.00 0.00 H new ATOM 504 N ASP A 341 -7.592 4.838 3.330 1.00 0.00 N ATOM 505 CA ASP A 341 -7.866 3.917 2.234 1.00 0.00 C ATOM 506 C ASP A 341 -9.379 3.781 1.963 1.00 0.00 C ATOM 507 O ASP A 341 -9.870 4.362 0.994 1.00 0.00 O ATOM 508 CB ASP A 341 -7.188 2.554 2.431 1.00 0.00 C ATOM 509 CG ASP A 341 -6.302 2.174 1.260 1.00 0.00 C ATOM 510 OD1 ASP A 341 -6.832 2.027 0.138 1.00 0.00 O ATOM 511 OD2 ASP A 341 -5.079 2.023 1.465 1.00 0.00 O ATOM 0 H ASP A 341 -7.525 5.806 3.016 1.00 0.00 H new ATOM 0 HA ASP A 341 -7.421 4.354 1.340 1.00 0.00 H new ATOM 0 HB2 ASP A 341 -6.591 2.577 3.343 1.00 0.00 H new ATOM 0 HB3 ASP A 341 -7.951 1.788 2.569 1.00 0.00 H new ATOM 516 N PRO A 342 -10.160 3.022 2.778 1.00 0.00 N ATOM 517 CA PRO A 342 -11.591 2.867 2.550 1.00 0.00 C ATOM 518 C PRO A 342 -12.435 3.871 3.338 1.00 0.00 C ATOM 519 O PRO A 342 -13.404 4.423 2.817 1.00 0.00 O ATOM 520 CB PRO A 342 -11.842 1.452 3.057 1.00 0.00 C ATOM 521 CG PRO A 342 -10.886 1.282 4.195 1.00 0.00 C ATOM 522 CD PRO A 342 -9.744 2.250 3.967 1.00 0.00 C ATOM 0 HA PRO A 342 -11.866 3.039 1.509 1.00 0.00 H new ATOM 0 HB2 PRO A 342 -12.874 1.326 3.384 1.00 0.00 H new ATOM 0 HB3 PRO A 342 -11.663 0.714 2.275 1.00 0.00 H new ATOM 0 HG2 PRO A 342 -11.379 1.485 5.146 1.00 0.00 H new ATOM 0 HG3 PRO A 342 -10.519 0.257 4.239 1.00 0.00 H new ATOM 0 HD2 PRO A 342 -9.592 2.898 4.830 1.00 0.00 H new ATOM 0 HD3 PRO A 342 -8.805 1.725 3.793 1.00 0.00 H new ATOM 530 N LEU A 343 -12.068 4.092 4.599 1.00 0.00 N ATOM 531 CA LEU A 343 -12.797 5.014 5.464 1.00 0.00 C ATOM 532 C LEU A 343 -12.401 6.462 5.198 1.00 0.00 C ATOM 533 O LEU A 343 -13.225 7.370 5.316 1.00 0.00 O ATOM 534 CB LEU A 343 -12.538 4.668 6.932 1.00 0.00 C ATOM 535 CG LEU A 343 -13.742 4.834 7.862 1.00 0.00 C ATOM 536 CD1 LEU A 343 -13.558 4.012 9.127 1.00 0.00 C ATOM 537 CD2 LEU A 343 -13.952 6.302 8.204 1.00 0.00 C ATOM 0 H LEU A 343 -11.268 3.643 5.044 1.00 0.00 H new ATOM 0 HA LEU A 343 -13.859 4.909 5.244 1.00 0.00 H new ATOM 0 HB2 LEU A 343 -12.194 3.635 6.990 1.00 0.00 H new ATOM 0 HB3 LEU A 343 -11.726 5.296 7.299 1.00 0.00 H new ATOM 0 HG LEU A 343 -14.629 4.471 7.344 1.00 0.00 H new ATOM 0 HD11 LEU A 343 -14.424 4.143 9.775 1.00 0.00 H new ATOM 0 HD12 LEU A 343 -13.457 2.959 8.865 1.00 0.00 H new ATOM 0 HD13 LEU A 343 -12.661 4.344 9.649 1.00 0.00 H new ATOM 0 HD21 LEU A 343 -14.812 6.402 8.866 1.00 0.00 H new ATOM 0 HD22 LEU A 343 -13.064 6.690 8.702 1.00 0.00 H new ATOM 0 HD23 LEU A 343 -14.131 6.867 7.289 1.00 0.00 H new ATOM 549 N GLY A 344 -11.137 6.675 4.852 1.00 0.00 N ATOM 550 CA GLY A 344 -10.660 8.019 4.593 1.00 0.00 C ATOM 551 C GLY A 344 -10.457 8.801 5.874 1.00 0.00 C ATOM 552 O GLY A 344 -10.114 9.983 5.844 1.00 0.00 O ATOM 0 H GLY A 344 -10.435 5.942 4.746 1.00 0.00 H new ATOM 0 HA2 GLY A 344 -9.720 7.971 4.044 1.00 0.00 H new ATOM 0 HA3 GLY A 344 -11.375 8.542 3.957 1.00 0.00 H new ATOM 556 N ARG A 345 -10.667 8.130 7.004 1.00 0.00 N ATOM 557 CA ARG A 345 -10.502 8.754 8.308 1.00 0.00 C ATOM 558 C ARG A 345 -9.029 9.061 8.578 1.00 0.00 C ATOM 559 O ARG A 345 -8.411 9.827 7.838 1.00 0.00 O ATOM 560 CB ARG A 345 -11.079 7.863 9.395 1.00 0.00 C ATOM 561 CG ARG A 345 -11.941 8.633 10.373 1.00 0.00 C ATOM 562 CD ARG A 345 -13.062 9.388 9.673 1.00 0.00 C ATOM 563 NE ARG A 345 -13.248 10.729 10.222 1.00 0.00 N ATOM 564 CZ ARG A 345 -14.421 11.352 10.269 1.00 0.00 C ATOM 565 NH1 ARG A 345 -15.508 10.766 9.785 1.00 0.00 N ATOM 566 NH2 ARG A 345 -14.509 12.567 10.795 1.00 0.00 N ATOM 0 H ARG A 345 -10.953 7.151 7.039 1.00 0.00 H new ATOM 0 HA ARG A 345 -11.047 9.698 8.313 1.00 0.00 H new ATOM 0 HB2 ARG A 345 -11.672 7.072 8.936 1.00 0.00 H new ATOM 0 HB3 ARG A 345 -10.265 7.379 9.935 1.00 0.00 H new ATOM 0 HG2 ARG A 345 -12.368 7.943 11.101 1.00 0.00 H new ATOM 0 HG3 ARG A 345 -11.320 9.337 10.927 1.00 0.00 H new ATOM 0 HD2 ARG A 345 -12.840 9.460 8.608 1.00 0.00 H new ATOM 0 HD3 ARG A 345 -13.991 8.826 9.768 1.00 0.00 H new ATOM 0 HE ARG A 345 -12.431 11.215 10.590 1.00 0.00 H new ATOM 0 HH11 ARG A 345 -15.445 9.834 9.375 1.00 0.00 H new ATOM 0 HH12 ARG A 345 -16.407 11.247 9.823 1.00 0.00 H new ATOM 0 HH21 ARG A 345 -13.675 13.025 11.164 1.00 0.00 H new ATOM 0 HH22 ARG A 345 -15.410 13.043 10.830 1.00 0.00 H new ATOM 580 N ASP A 346 -8.465 8.480 9.638 1.00 0.00 N ATOM 581 CA ASP A 346 -7.075 8.730 9.967 1.00 0.00 C ATOM 582 C ASP A 346 -6.235 7.445 9.974 1.00 0.00 C ATOM 583 O ASP A 346 -5.962 6.878 8.918 1.00 0.00 O ATOM 584 CB ASP A 346 -7.005 9.440 11.307 1.00 0.00 C ATOM 585 CG ASP A 346 -6.964 10.948 11.161 1.00 0.00 C ATOM 586 OD1 ASP A 346 -5.914 11.474 10.735 1.00 0.00 O ATOM 587 OD2 ASP A 346 -7.980 11.603 11.471 1.00 0.00 O ATOM 0 H ASP A 346 -8.948 7.843 10.271 1.00 0.00 H new ATOM 0 HA ASP A 346 -6.646 9.366 9.192 1.00 0.00 H new ATOM 0 HB2 ASP A 346 -7.869 9.159 11.909 1.00 0.00 H new ATOM 0 HB3 ASP A 346 -6.119 9.106 11.846 1.00 0.00 H new ATOM 592 N SER A 347 -5.808 7.003 11.164 1.00 0.00 N ATOM 593 CA SER A 347 -4.981 5.802 11.301 1.00 0.00 C ATOM 594 C SER A 347 -3.707 5.918 10.468 1.00 0.00 C ATOM 595 O SER A 347 -3.644 6.701 9.522 1.00 0.00 O ATOM 596 CB SER A 347 -5.765 4.556 10.881 1.00 0.00 C ATOM 597 OG SER A 347 -6.789 4.261 11.814 1.00 0.00 O ATOM 0 H SER A 347 -6.024 7.463 12.048 1.00 0.00 H new ATOM 0 HA SER A 347 -4.703 5.708 12.351 1.00 0.00 H new ATOM 0 HB2 SER A 347 -6.201 4.712 9.894 1.00 0.00 H new ATOM 0 HB3 SER A 347 -5.087 3.706 10.799 1.00 0.00 H new ATOM 0 HG SER A 347 -7.277 3.462 11.523 1.00 0.00 H new ATOM 603 N ASP A 348 -2.682 5.141 10.808 1.00 0.00 N ATOM 604 CA ASP A 348 -1.448 5.195 10.051 1.00 0.00 C ATOM 605 C ASP A 348 -1.328 3.967 9.153 1.00 0.00 C ATOM 606 O ASP A 348 -0.845 2.914 9.569 1.00 0.00 O ATOM 607 CB ASP A 348 -0.286 5.256 11.019 1.00 0.00 C ATOM 608 CG ASP A 348 -0.434 6.369 12.037 1.00 0.00 C ATOM 609 OD1 ASP A 348 -0.942 7.450 11.667 1.00 0.00 O ATOM 610 OD2 ASP A 348 -0.043 6.161 13.205 1.00 0.00 O ATOM 0 H ASP A 348 -2.685 4.482 11.586 1.00 0.00 H new ATOM 0 HA ASP A 348 -1.442 6.081 9.417 1.00 0.00 H new ATOM 0 HB2 ASP A 348 -0.201 4.302 11.539 1.00 0.00 H new ATOM 0 HB3 ASP A 348 0.640 5.399 10.461 1.00 0.00 H new ATOM 615 N TRP A 349 -1.752 4.128 7.907 1.00 0.00 N ATOM 616 CA TRP A 349 -1.710 3.049 6.930 1.00 0.00 C ATOM 617 C TRP A 349 -1.957 3.597 5.534 1.00 0.00 C ATOM 618 O TRP A 349 -3.080 3.985 5.212 1.00 0.00 O ATOM 619 CB TRP A 349 -2.782 2.007 7.258 1.00 0.00 C ATOM 620 CG TRP A 349 -2.238 0.694 7.724 1.00 0.00 C ATOM 621 CD1 TRP A 349 -2.330 0.169 8.982 1.00 0.00 C ATOM 622 CD2 TRP A 349 -1.524 -0.267 6.939 1.00 0.00 C ATOM 623 NE1 TRP A 349 -1.718 -1.058 9.026 1.00 0.00 N ATOM 624 CE2 TRP A 349 -1.214 -1.348 7.787 1.00 0.00 C ATOM 625 CE3 TRP A 349 -1.115 -0.320 5.604 1.00 0.00 C ATOM 626 CZ2 TRP A 349 -0.517 -2.466 7.342 1.00 0.00 C ATOM 627 CZ3 TRP A 349 -0.424 -1.426 5.168 1.00 0.00 C ATOM 628 CH2 TRP A 349 -0.129 -2.488 6.031 1.00 0.00 C ATOM 0 H TRP A 349 -2.132 5.003 7.547 1.00 0.00 H new ATOM 0 HA TRP A 349 -0.725 2.584 6.967 1.00 0.00 H new ATOM 0 HB2 TRP A 349 -3.440 2.409 8.028 1.00 0.00 H new ATOM 0 HB3 TRP A 349 -3.394 1.840 6.372 1.00 0.00 H new ATOM 0 HD1 TRP A 349 -2.814 0.650 9.819 1.00 0.00 H new ATOM 0 HE1 TRP A 349 -1.650 -1.657 9.849 1.00 0.00 H new ATOM 0 HE3 TRP A 349 -1.337 0.492 4.928 1.00 0.00 H new ATOM 0 HZ2 TRP A 349 -0.291 -3.286 8.007 1.00 0.00 H new ATOM 0 HZ3 TRP A 349 -0.102 -1.476 4.138 1.00 0.00 H new ATOM 0 HH2 TRP A 349 0.416 -3.341 5.654 1.00 0.00 H new ATOM 639 N TRP A 350 -0.926 3.635 4.706 1.00 0.00 N ATOM 640 CA TRP A 350 -1.083 4.149 3.355 1.00 0.00 C ATOM 641 C TRP A 350 -0.676 3.126 2.311 1.00 0.00 C ATOM 642 O TRP A 350 -0.012 2.139 2.609 1.00 0.00 O ATOM 643 CB TRP A 350 -0.264 5.421 3.162 1.00 0.00 C ATOM 644 CG TRP A 350 -0.622 6.515 4.123 1.00 0.00 C ATOM 645 CD1 TRP A 350 -1.845 6.756 4.682 1.00 0.00 C ATOM 646 CD2 TRP A 350 0.257 7.518 4.637 1.00 0.00 C ATOM 647 NE1 TRP A 350 -1.777 7.846 5.515 1.00 0.00 N ATOM 648 CE2 TRP A 350 -0.496 8.333 5.503 1.00 0.00 C ATOM 649 CE3 TRP A 350 1.609 7.804 4.447 1.00 0.00 C ATOM 650 CZ2 TRP A 350 0.062 9.414 6.179 1.00 0.00 C ATOM 651 CZ3 TRP A 350 2.162 8.876 5.117 1.00 0.00 C ATOM 652 CH2 TRP A 350 1.391 9.671 5.974 1.00 0.00 C ATOM 0 H TRP A 350 0.016 3.321 4.940 1.00 0.00 H new ATOM 0 HA TRP A 350 -2.141 4.373 3.222 1.00 0.00 H new ATOM 0 HB2 TRP A 350 0.794 5.183 3.273 1.00 0.00 H new ATOM 0 HB3 TRP A 350 -0.404 5.783 2.143 1.00 0.00 H new ATOM 0 HD1 TRP A 350 -2.736 6.174 4.496 1.00 0.00 H new ATOM 0 HE1 TRP A 350 -2.553 8.230 6.054 1.00 0.00 H new ATOM 0 HE3 TRP A 350 2.212 7.197 3.788 1.00 0.00 H new ATOM 0 HZ2 TRP A 350 -0.531 10.027 6.841 1.00 0.00 H new ATOM 0 HZ3 TRP A 350 3.208 9.106 4.978 1.00 0.00 H new ATOM 0 HH2 TRP A 350 1.854 10.503 6.483 1.00 0.00 H new ATOM 663 N LYS A 351 -1.071 3.397 1.081 1.00 0.00 N ATOM 664 CA LYS A 351 -0.755 2.547 -0.050 1.00 0.00 C ATOM 665 C LYS A 351 0.283 3.242 -0.921 1.00 0.00 C ATOM 666 O LYS A 351 0.258 4.466 -1.067 1.00 0.00 O ATOM 667 CB LYS A 351 -2.025 2.235 -0.849 1.00 0.00 C ATOM 668 CG LYS A 351 -2.294 3.193 -2.000 1.00 0.00 C ATOM 669 CD LYS A 351 -1.753 2.653 -3.314 1.00 0.00 C ATOM 670 CE LYS A 351 -2.651 3.025 -4.482 1.00 0.00 C ATOM 671 NZ LYS A 351 -3.500 1.881 -4.916 1.00 0.00 N ATOM 0 H LYS A 351 -1.624 4.219 0.838 1.00 0.00 H new ATOM 0 HA LYS A 351 -0.344 1.601 0.303 1.00 0.00 H new ATOM 0 HB2 LYS A 351 -1.951 1.222 -1.245 1.00 0.00 H new ATOM 0 HB3 LYS A 351 -2.879 2.251 -0.172 1.00 0.00 H new ATOM 0 HG2 LYS A 351 -3.367 3.363 -2.090 1.00 0.00 H new ATOM 0 HG3 LYS A 351 -1.835 4.158 -1.786 1.00 0.00 H new ATOM 0 HD2 LYS A 351 -0.751 3.046 -3.485 1.00 0.00 H new ATOM 0 HD3 LYS A 351 -1.664 1.568 -3.253 1.00 0.00 H new ATOM 0 HE2 LYS A 351 -3.288 3.863 -4.198 1.00 0.00 H new ATOM 0 HE3 LYS A 351 -2.038 3.360 -5.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 351 -3.280 1.641 -5.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 351 -3.310 1.058 -4.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 351 -4.503 2.144 -4.839 1.00 0.00 H new ATOM 685 N VAL A 352 1.209 2.475 -1.474 1.00 0.00 N ATOM 686 CA VAL A 352 2.258 3.055 -2.295 1.00 0.00 C ATOM 687 C VAL A 352 2.515 2.248 -3.566 1.00 0.00 C ATOM 688 O VAL A 352 2.310 1.033 -3.605 1.00 0.00 O ATOM 689 CB VAL A 352 3.580 3.161 -1.488 1.00 0.00 C ATOM 690 CG1 VAL A 352 4.517 2.007 -1.805 1.00 0.00 C ATOM 691 CG2 VAL A 352 4.259 4.491 -1.725 1.00 0.00 C ATOM 0 H VAL A 352 1.256 1.461 -1.371 1.00 0.00 H new ATOM 0 HA VAL A 352 1.914 4.047 -2.587 1.00 0.00 H new ATOM 0 HB VAL A 352 3.324 3.099 -0.430 1.00 0.00 H new ATOM 0 HG11 VAL A 352 5.433 2.112 -1.223 1.00 0.00 H new ATOM 0 HG12 VAL A 352 4.032 1.064 -1.552 1.00 0.00 H new ATOM 0 HG13 VAL A 352 4.759 2.016 -2.868 1.00 0.00 H new ATOM 0 HG21 VAL A 352 5.182 4.536 -1.147 1.00 0.00 H new ATOM 0 HG22 VAL A 352 4.489 4.598 -2.785 1.00 0.00 H new ATOM 0 HG23 VAL A 352 3.596 5.298 -1.414 1.00 0.00 H new ATOM 701 N ARG A 353 3.008 2.942 -4.587 1.00 0.00 N ATOM 702 CA ARG A 353 3.354 2.321 -5.853 1.00 0.00 C ATOM 703 C ARG A 353 4.864 2.390 -6.028 1.00 0.00 C ATOM 704 O ARG A 353 5.453 3.474 -5.982 1.00 0.00 O ATOM 705 CB ARG A 353 2.659 3.022 -7.021 1.00 0.00 C ATOM 706 CG ARG A 353 1.148 3.007 -6.934 1.00 0.00 C ATOM 707 CD ARG A 353 0.513 3.563 -8.198 1.00 0.00 C ATOM 708 NE ARG A 353 0.577 5.021 -8.253 1.00 0.00 N ATOM 709 CZ ARG A 353 -0.170 5.761 -9.067 1.00 0.00 C ATOM 710 NH1 ARG A 353 -1.031 5.183 -9.893 1.00 0.00 N ATOM 711 NH2 ARG A 353 -0.055 7.081 -9.056 1.00 0.00 N ATOM 0 H ARG A 353 3.177 3.947 -4.557 1.00 0.00 H new ATOM 0 HA ARG A 353 3.020 1.283 -5.845 1.00 0.00 H new ATOM 0 HB2 ARG A 353 3.000 4.056 -7.066 1.00 0.00 H new ATOM 0 HB3 ARG A 353 2.964 2.545 -7.952 1.00 0.00 H new ATOM 0 HG2 ARG A 353 0.802 1.987 -6.770 1.00 0.00 H new ATOM 0 HG3 ARG A 353 0.826 3.595 -6.075 1.00 0.00 H new ATOM 0 HD2 ARG A 353 1.017 3.146 -9.070 1.00 0.00 H new ATOM 0 HD3 ARG A 353 -0.528 3.245 -8.250 1.00 0.00 H new ATOM 0 HE ARG A 353 1.231 5.498 -7.633 1.00 0.00 H new ATOM 0 HH11 ARG A 353 -1.122 4.167 -9.906 1.00 0.00 H new ATOM 0 HH12 ARG A 353 -1.602 5.754 -10.516 1.00 0.00 H new ATOM 0 HH21 ARG A 353 0.607 7.530 -8.423 1.00 0.00 H new ATOM 0 HH22 ARG A 353 -0.628 7.648 -9.681 1.00 0.00 H new ATOM 725 N THR A 354 5.489 1.234 -6.196 1.00 0.00 N ATOM 726 CA THR A 354 6.937 1.171 -6.344 1.00 0.00 C ATOM 727 C THR A 354 7.338 0.839 -7.774 1.00 0.00 C ATOM 728 O THR A 354 6.718 -0.005 -8.421 1.00 0.00 O ATOM 729 CB THR A 354 7.546 0.133 -5.384 1.00 0.00 C ATOM 730 OG1 THR A 354 7.815 -1.088 -6.079 1.00 0.00 O ATOM 731 CG2 THR A 354 6.609 -0.127 -4.212 1.00 0.00 C ATOM 0 H THR A 354 5.019 0.329 -6.233 1.00 0.00 H new ATOM 0 HA THR A 354 7.326 2.158 -6.095 1.00 0.00 H new ATOM 0 HB THR A 354 8.484 0.532 -4.997 1.00 0.00 H new ATOM 0 HG1 THR A 354 8.686 -1.439 -5.798 1.00 0.00 H new ATOM 0 HG21 THR A 354 7.057 -0.863 -3.545 1.00 0.00 H new ATOM 0 HG22 THR A 354 6.441 0.802 -3.667 1.00 0.00 H new ATOM 0 HG23 THR A 354 5.657 -0.506 -4.584 1.00 0.00 H new ATOM 739 N LYS A 355 8.381 1.513 -8.260 1.00 0.00 N ATOM 740 CA LYS A 355 8.873 1.302 -9.617 1.00 0.00 C ATOM 741 C LYS A 355 7.719 1.249 -10.611 1.00 0.00 C ATOM 742 O LYS A 355 7.795 0.570 -11.635 1.00 0.00 O ATOM 743 CB LYS A 355 9.697 0.020 -9.679 1.00 0.00 C ATOM 744 CG LYS A 355 10.767 -0.047 -8.604 1.00 0.00 C ATOM 745 CD LYS A 355 10.915 -1.454 -8.050 1.00 0.00 C ATOM 746 CE LYS A 355 12.271 -1.653 -7.391 1.00 0.00 C ATOM 747 NZ LYS A 355 12.182 -1.588 -5.906 1.00 0.00 N ATOM 0 H LYS A 355 8.901 2.212 -7.730 1.00 0.00 H new ATOM 0 HA LYS A 355 9.511 2.143 -9.890 1.00 0.00 H new ATOM 0 HB2 LYS A 355 9.033 -0.838 -9.577 1.00 0.00 H new ATOM 0 HB3 LYS A 355 10.168 -0.056 -10.659 1.00 0.00 H new ATOM 0 HG2 LYS A 355 11.720 0.284 -9.017 1.00 0.00 H new ATOM 0 HG3 LYS A 355 10.515 0.639 -7.795 1.00 0.00 H new ATOM 0 HD2 LYS A 355 10.125 -1.645 -7.324 1.00 0.00 H new ATOM 0 HD3 LYS A 355 10.791 -2.178 -8.855 1.00 0.00 H new ATOM 0 HE2 LYS A 355 12.681 -2.618 -7.688 1.00 0.00 H new ATOM 0 HE3 LYS A 355 12.963 -0.890 -7.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 355 13.127 -1.728 -5.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 355 11.815 -0.658 -5.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 355 11.542 -2.333 -5.564 1.00 0.00 H new ATOM 761 N ASN A 356 6.647 1.973 -10.292 1.00 0.00 N ATOM 762 CA ASN A 356 5.465 2.019 -11.142 1.00 0.00 C ATOM 763 C ASN A 356 4.924 0.617 -11.402 1.00 0.00 C ATOM 764 O ASN A 356 4.691 0.238 -12.551 1.00 0.00 O ATOM 765 CB ASN A 356 5.792 2.711 -12.466 1.00 0.00 C ATOM 766 CG ASN A 356 6.477 4.049 -12.269 1.00 0.00 C ATOM 767 OD1 ASN A 356 7.633 4.230 -12.652 1.00 0.00 O ATOM 768 ND2 ASN A 356 5.765 4.994 -11.666 1.00 0.00 N ATOM 0 H ASN A 356 6.576 2.538 -9.446 1.00 0.00 H new ATOM 0 HA ASN A 356 4.696 2.591 -10.623 1.00 0.00 H new ATOM 0 HB2 ASN A 356 6.434 2.062 -13.062 1.00 0.00 H new ATOM 0 HB3 ASN A 356 4.872 2.857 -13.032 1.00 0.00 H new ATOM 0 HD21 ASN A 356 6.173 5.915 -11.504 1.00 0.00 H new ATOM 0 HD22 ASN A 356 4.810 4.799 -11.365 1.00 0.00 H new ATOM 775 N GLY A 357 4.721 -0.154 -10.334 1.00 0.00 N ATOM 776 CA GLY A 357 4.206 -1.500 -10.496 1.00 0.00 C ATOM 777 C GLY A 357 3.801 -2.162 -9.193 1.00 0.00 C ATOM 778 O GLY A 357 2.725 -2.752 -9.111 1.00 0.00 O ATOM 0 H GLY A 357 4.902 0.128 -9.371 1.00 0.00 H new ATOM 0 HA2 GLY A 357 3.343 -1.471 -11.161 1.00 0.00 H new ATOM 0 HA3 GLY A 357 4.964 -2.113 -10.984 1.00 0.00 H new ATOM 782 N ASN A 358 4.648 -2.075 -8.168 1.00 0.00 N ATOM 783 CA ASN A 358 4.326 -2.685 -6.885 1.00 0.00 C ATOM 784 C ASN A 358 3.351 -1.806 -6.118 1.00 0.00 C ATOM 785 O ASN A 358 3.743 -1.041 -5.239 1.00 0.00 O ATOM 786 CB ASN A 358 5.584 -2.926 -6.056 1.00 0.00 C ATOM 787 CG ASN A 358 6.670 -3.648 -6.830 1.00 0.00 C ATOM 788 OD1 ASN A 358 6.457 -4.092 -7.958 1.00 0.00 O ATOM 789 ND2 ASN A 358 7.846 -3.769 -6.224 1.00 0.00 N ATOM 0 H ASN A 358 5.548 -1.595 -8.202 1.00 0.00 H new ATOM 0 HA ASN A 358 3.860 -3.652 -7.077 1.00 0.00 H new ATOM 0 HB2 ASN A 358 5.970 -1.969 -5.704 1.00 0.00 H new ATOM 0 HB3 ASN A 358 5.325 -3.510 -5.173 1.00 0.00 H new ATOM 0 HD21 ASN A 358 8.616 -4.245 -6.695 1.00 0.00 H new ATOM 0 HD22 ASN A 358 7.979 -3.386 -5.288 1.00 0.00 H new ATOM 796 N ILE A 359 2.076 -1.918 -6.471 1.00 0.00 N ATOM 797 CA ILE A 359 1.035 -1.130 -5.829 1.00 0.00 C ATOM 798 C ILE A 359 0.380 -1.904 -4.693 1.00 0.00 C ATOM 799 O ILE A 359 -0.490 -2.745 -4.920 1.00 0.00 O ATOM 800 CB ILE A 359 -0.050 -0.704 -6.833 1.00 0.00 C ATOM 801 CG1 ILE A 359 0.582 -0.311 -8.170 1.00 0.00 C ATOM 802 CG2 ILE A 359 -0.860 0.448 -6.267 1.00 0.00 C ATOM 803 CD1 ILE A 359 -0.392 -0.332 -9.329 1.00 0.00 C ATOM 0 H ILE A 359 1.740 -2.548 -7.199 1.00 0.00 H new ATOM 0 HA ILE A 359 1.519 -0.239 -5.428 1.00 0.00 H new ATOM 0 HB ILE A 359 -0.718 -1.548 -7.006 1.00 0.00 H new ATOM 0 HG12 ILE A 359 1.007 0.689 -8.082 1.00 0.00 H new ATOM 0 HG13 ILE A 359 1.406 -0.990 -8.387 1.00 0.00 H new ATOM 0 HG21 ILE A 359 -1.625 0.742 -6.985 1.00 0.00 H new ATOM 0 HG22 ILE A 359 -1.336 0.136 -5.337 1.00 0.00 H new ATOM 0 HG23 ILE A 359 -0.201 1.294 -6.071 1.00 0.00 H new ATOM 0 HD11 ILE A 359 0.125 -0.043 -10.244 1.00 0.00 H new ATOM 0 HD12 ILE A 359 -0.799 -1.337 -9.444 1.00 0.00 H new ATOM 0 HD13 ILE A 359 -1.204 0.368 -9.134 1.00 0.00 H new ATOM 815 N GLY A 360 0.802 -1.606 -3.471 1.00 0.00 N ATOM 816 CA GLY A 360 0.246 -2.272 -2.310 1.00 0.00 C ATOM 817 C GLY A 360 0.039 -1.312 -1.160 1.00 0.00 C ATOM 818 O GLY A 360 -0.136 -0.114 -1.376 1.00 0.00 O ATOM 0 H GLY A 360 1.521 -0.913 -3.263 1.00 0.00 H new ATOM 0 HA2 GLY A 360 -0.706 -2.732 -2.576 1.00 0.00 H new ATOM 0 HA3 GLY A 360 0.913 -3.076 -1.998 1.00 0.00 H new ATOM 822 N TYR A 361 0.065 -1.826 0.065 1.00 0.00 N ATOM 823 CA TYR A 361 -0.117 -0.979 1.238 1.00 0.00 C ATOM 824 C TYR A 361 1.187 -0.859 2.020 1.00 0.00 C ATOM 825 O TYR A 361 2.185 -1.497 1.682 1.00 0.00 O ATOM 826 CB TYR A 361 -1.225 -1.531 2.138 1.00 0.00 C ATOM 827 CG TYR A 361 -2.533 -1.774 1.419 1.00 0.00 C ATOM 828 CD1 TYR A 361 -3.439 -0.741 1.216 1.00 0.00 C ATOM 829 CD2 TYR A 361 -2.863 -3.038 0.947 1.00 0.00 C ATOM 830 CE1 TYR A 361 -4.637 -0.960 0.562 1.00 0.00 C ATOM 831 CE2 TYR A 361 -4.058 -3.266 0.293 1.00 0.00 C ATOM 832 CZ TYR A 361 -4.941 -2.224 0.103 1.00 0.00 C ATOM 833 OH TYR A 361 -6.133 -2.447 -0.547 1.00 0.00 O ATOM 0 H TYR A 361 0.209 -2.815 0.271 1.00 0.00 H new ATOM 0 HA TYR A 361 -0.411 0.014 0.897 1.00 0.00 H new ATOM 0 HB2 TYR A 361 -0.886 -2.467 2.582 1.00 0.00 H new ATOM 0 HB3 TYR A 361 -1.396 -0.833 2.957 1.00 0.00 H new ATOM 0 HD1 TYR A 361 -3.204 0.250 1.575 1.00 0.00 H new ATOM 0 HD2 TYR A 361 -2.174 -3.856 1.094 1.00 0.00 H new ATOM 0 HE1 TYR A 361 -5.331 -0.146 0.412 1.00 0.00 H new ATOM 0 HE2 TYR A 361 -4.300 -4.255 -0.068 1.00 0.00 H new ATOM 0 HH TYR A 361 -6.192 -3.390 -0.807 1.00 0.00 H new ATOM 843 N ILE A 362 1.173 -0.036 3.062 1.00 0.00 N ATOM 844 CA ILE A 362 2.352 0.173 3.891 1.00 0.00 C ATOM 845 C ILE A 362 2.012 0.996 5.133 1.00 0.00 C ATOM 846 O ILE A 362 1.594 2.149 5.029 1.00 0.00 O ATOM 847 CB ILE A 362 3.481 0.883 3.106 1.00 0.00 C ATOM 848 CG1 ILE A 362 4.534 1.454 4.062 1.00 0.00 C ATOM 849 CG2 ILE A 362 2.907 1.985 2.228 1.00 0.00 C ATOM 850 CD1 ILE A 362 5.859 0.728 4.011 1.00 0.00 C ATOM 0 H ILE A 362 0.355 0.499 3.353 1.00 0.00 H new ATOM 0 HA ILE A 362 2.701 -0.813 4.196 1.00 0.00 H new ATOM 0 HB ILE A 362 3.966 0.146 2.466 1.00 0.00 H new ATOM 0 HG12 ILE A 362 4.696 2.505 3.824 1.00 0.00 H new ATOM 0 HG13 ILE A 362 4.147 1.414 5.080 1.00 0.00 H new ATOM 0 HG21 ILE A 362 3.715 2.474 1.683 1.00 0.00 H new ATOM 0 HG22 ILE A 362 2.200 1.554 1.519 1.00 0.00 H new ATOM 0 HG23 ILE A 362 2.395 2.718 2.852 1.00 0.00 H new ATOM 0 HD11 ILE A 362 6.553 1.188 4.714 1.00 0.00 H new ATOM 0 HD12 ILE A 362 5.711 -0.318 4.279 1.00 0.00 H new ATOM 0 HD13 ILE A 362 6.269 0.790 3.003 1.00 0.00 H new ATOM 862 N PRO A 363 2.206 0.414 6.331 1.00 0.00 N ATOM 863 CA PRO A 363 1.941 1.097 7.600 1.00 0.00 C ATOM 864 C PRO A 363 2.661 2.434 7.669 1.00 0.00 C ATOM 865 O PRO A 363 3.831 2.526 7.295 1.00 0.00 O ATOM 866 CB PRO A 363 2.511 0.139 8.660 1.00 0.00 C ATOM 867 CG PRO A 363 3.322 -0.865 7.906 1.00 0.00 C ATOM 868 CD PRO A 363 2.719 -0.943 6.540 1.00 0.00 C ATOM 0 HA PRO A 363 0.881 1.313 7.736 1.00 0.00 H new ATOM 0 HB2 PRO A 363 3.126 0.676 9.382 1.00 0.00 H new ATOM 0 HB3 PRO A 363 1.711 -0.345 9.220 1.00 0.00 H new ATOM 0 HG2 PRO A 363 4.368 -0.561 7.854 1.00 0.00 H new ATOM 0 HG3 PRO A 363 3.296 -1.837 8.399 1.00 0.00 H new ATOM 0 HD2 PRO A 363 3.458 -1.216 5.787 1.00 0.00 H new ATOM 0 HD3 PRO A 363 1.924 -1.687 6.491 1.00 0.00 H new ATOM 876 N TYR A 364 1.981 3.475 8.143 1.00 0.00 N ATOM 877 CA TYR A 364 2.625 4.781 8.233 1.00 0.00 C ATOM 878 C TYR A 364 3.641 4.789 9.372 1.00 0.00 C ATOM 879 O TYR A 364 3.310 5.084 10.523 1.00 0.00 O ATOM 880 CB TYR A 364 1.596 5.903 8.404 1.00 0.00 C ATOM 881 CG TYR A 364 2.191 7.215 8.872 1.00 0.00 C ATOM 882 CD1 TYR A 364 3.255 7.801 8.197 1.00 0.00 C ATOM 883 CD2 TYR A 364 1.690 7.863 9.993 1.00 0.00 C ATOM 884 CE1 TYR A 364 3.800 8.996 8.625 1.00 0.00 C ATOM 885 CE2 TYR A 364 2.230 9.059 10.427 1.00 0.00 C ATOM 886 CZ TYR A 364 3.285 9.621 9.740 1.00 0.00 C ATOM 887 OH TYR A 364 3.828 10.809 10.171 1.00 0.00 O ATOM 0 H TYR A 364 1.013 3.444 8.462 1.00 0.00 H new ATOM 0 HA TYR A 364 3.151 4.966 7.297 1.00 0.00 H new ATOM 0 HB2 TYR A 364 1.088 6.064 7.453 1.00 0.00 H new ATOM 0 HB3 TYR A 364 0.839 5.583 9.120 1.00 0.00 H new ATOM 0 HD1 TYR A 364 3.663 7.314 7.323 1.00 0.00 H new ATOM 0 HD2 TYR A 364 0.865 7.425 10.535 1.00 0.00 H new ATOM 0 HE1 TYR A 364 4.626 9.439 8.088 1.00 0.00 H new ATOM 0 HE2 TYR A 364 1.827 9.551 11.300 1.00 0.00 H new ATOM 0 HH TYR A 364 3.349 11.117 10.969 1.00 0.00 H new ATOM 897 N ASN A 365 4.881 4.450 9.032 1.00 0.00 N ATOM 898 CA ASN A 365 5.971 4.399 10.000 1.00 0.00 C ATOM 899 C ASN A 365 7.285 4.070 9.298 1.00 0.00 C ATOM 900 O ASN A 365 8.328 4.649 9.605 1.00 0.00 O ATOM 901 CB ASN A 365 5.680 3.355 11.082 1.00 0.00 C ATOM 902 CG ASN A 365 6.864 3.121 11.997 1.00 0.00 C ATOM 903 OD1 ASN A 365 7.491 4.067 12.478 1.00 0.00 O ATOM 904 ND2 ASN A 365 7.179 1.854 12.244 1.00 0.00 N ATOM 0 H ASN A 365 5.158 4.204 8.082 1.00 0.00 H new ATOM 0 HA ASN A 365 6.057 5.377 10.473 1.00 0.00 H new ATOM 0 HB2 ASN A 365 4.825 3.680 11.675 1.00 0.00 H new ATOM 0 HB3 ASN A 365 5.400 2.414 10.608 1.00 0.00 H new ATOM 0 HD21 ASN A 365 7.967 1.634 12.853 1.00 0.00 H new ATOM 0 HD22 ASN A 365 6.633 1.102 11.825 1.00 0.00 H new ATOM 911 N TYR A 366 7.222 3.139 8.348 1.00 0.00 N ATOM 912 CA TYR A 366 8.401 2.731 7.593 1.00 0.00 C ATOM 913 C TYR A 366 8.553 3.570 6.327 1.00 0.00 C ATOM 914 O TYR A 366 9.374 3.260 5.464 1.00 0.00 O ATOM 915 CB TYR A 366 8.309 1.250 7.215 1.00 0.00 C ATOM 916 CG TYR A 366 7.977 0.340 8.374 1.00 0.00 C ATOM 917 CD1 TYR A 366 8.801 0.273 9.490 1.00 0.00 C ATOM 918 CD2 TYR A 366 6.840 -0.459 8.350 1.00 0.00 C ATOM 919 CE1 TYR A 366 8.503 -0.564 10.550 1.00 0.00 C ATOM 920 CE2 TYR A 366 6.535 -1.297 9.405 1.00 0.00 C ATOM 921 CZ TYR A 366 7.369 -1.346 10.501 1.00 0.00 C ATOM 922 OH TYR A 366 7.069 -2.180 11.553 1.00 0.00 O ATOM 0 H TYR A 366 6.365 2.653 8.084 1.00 0.00 H new ATOM 0 HA TYR A 366 9.274 2.887 8.227 1.00 0.00 H new ATOM 0 HB2 TYR A 366 7.550 1.129 6.442 1.00 0.00 H new ATOM 0 HB3 TYR A 366 9.258 0.937 6.781 1.00 0.00 H new ATOM 0 HD1 TYR A 366 9.690 0.885 9.531 1.00 0.00 H new ATOM 0 HD2 TYR A 366 6.184 -0.424 7.493 1.00 0.00 H new ATOM 0 HE1 TYR A 366 9.155 -0.605 11.410 1.00 0.00 H new ATOM 0 HE2 TYR A 366 5.647 -1.911 9.371 1.00 0.00 H new ATOM 0 HH TYR A 366 6.237 -2.661 11.362 1.00 0.00 H new ATOM 932 N ILE A 367 7.757 4.629 6.219 1.00 0.00 N ATOM 933 CA ILE A 367 7.812 5.501 5.052 1.00 0.00 C ATOM 934 C ILE A 367 7.705 6.971 5.435 1.00 0.00 C ATOM 935 O ILE A 367 6.804 7.371 6.172 1.00 0.00 O ATOM 936 CB ILE A 367 6.700 5.177 4.035 1.00 0.00 C ATOM 937 CG1 ILE A 367 5.341 5.084 4.729 1.00 0.00 C ATOM 938 CG2 ILE A 367 7.018 3.889 3.296 1.00 0.00 C ATOM 939 CD1 ILE A 367 4.184 5.490 3.840 1.00 0.00 C ATOM 0 H ILE A 367 7.070 4.903 6.921 1.00 0.00 H new ATOM 0 HA ILE A 367 8.783 5.317 4.593 1.00 0.00 H new ATOM 0 HB ILE A 367 6.651 5.987 3.308 1.00 0.00 H new ATOM 0 HG12 ILE A 367 5.185 4.061 5.071 1.00 0.00 H new ATOM 0 HG13 ILE A 367 5.349 5.719 5.615 1.00 0.00 H new ATOM 0 HG21 ILE A 367 6.223 3.674 2.582 1.00 0.00 H new ATOM 0 HG22 ILE A 367 7.964 3.998 2.765 1.00 0.00 H new ATOM 0 HG23 ILE A 367 7.095 3.069 4.010 1.00 0.00 H new ATOM 0 HD11 ILE A 367 3.250 5.401 4.395 1.00 0.00 H new ATOM 0 HD12 ILE A 367 4.317 6.523 3.518 1.00 0.00 H new ATOM 0 HD13 ILE A 367 4.151 4.839 2.966 1.00 0.00 H new ATOM 951 N GLU A 368 8.628 7.771 4.912 1.00 0.00 N ATOM 952 CA GLU A 368 8.640 9.201 5.176 1.00 0.00 C ATOM 953 C GLU A 368 7.772 9.929 4.155 1.00 0.00 C ATOM 954 O GLU A 368 7.360 9.345 3.151 1.00 0.00 O ATOM 955 CB GLU A 368 10.070 9.740 5.124 1.00 0.00 C ATOM 956 CG GLU A 368 10.263 11.032 5.900 1.00 0.00 C ATOM 957 CD GLU A 368 11.711 11.274 6.279 1.00 0.00 C ATOM 958 OE1 GLU A 368 12.593 11.044 5.425 1.00 0.00 O ATOM 959 OE2 GLU A 368 11.961 11.693 7.427 1.00 0.00 O ATOM 0 H GLU A 368 9.379 7.450 4.301 1.00 0.00 H new ATOM 0 HA GLU A 368 8.237 9.374 6.174 1.00 0.00 H new ATOM 0 HB2 GLU A 368 10.749 8.984 5.519 1.00 0.00 H new ATOM 0 HB3 GLU A 368 10.349 9.906 4.083 1.00 0.00 H new ATOM 0 HG2 GLU A 368 9.904 11.869 5.301 1.00 0.00 H new ATOM 0 HG3 GLU A 368 9.655 11.003 6.804 1.00 0.00 H new ATOM 966 N ILE A 369 7.498 11.202 4.410 1.00 0.00 N ATOM 967 CA ILE A 369 6.678 11.999 3.506 1.00 0.00 C ATOM 968 C ILE A 369 7.495 13.125 2.881 1.00 0.00 C ATOM 969 O ILE A 369 8.187 13.864 3.582 1.00 0.00 O ATOM 970 CB ILE A 369 5.456 12.592 4.236 1.00 0.00 C ATOM 971 CG1 ILE A 369 4.577 11.470 4.792 1.00 0.00 C ATOM 972 CG2 ILE A 369 4.655 13.481 3.296 1.00 0.00 C ATOM 973 CD1 ILE A 369 5.029 10.956 6.142 1.00 0.00 C ATOM 0 H ILE A 369 7.831 11.704 5.233 1.00 0.00 H new ATOM 0 HA ILE A 369 6.325 11.334 2.717 1.00 0.00 H new ATOM 0 HB ILE A 369 5.809 13.202 5.068 1.00 0.00 H new ATOM 0 HG12 ILE A 369 3.552 11.831 4.875 1.00 0.00 H new ATOM 0 HG13 ILE A 369 4.567 10.643 4.083 1.00 0.00 H new ATOM 0 HG21 ILE A 369 3.796 13.891 3.827 1.00 0.00 H new ATOM 0 HG22 ILE A 369 5.285 14.296 2.941 1.00 0.00 H new ATOM 0 HG23 ILE A 369 4.309 12.893 2.446 1.00 0.00 H new ATOM 0 HD11 ILE A 369 4.358 10.163 6.472 1.00 0.00 H new ATOM 0 HD12 ILE A 369 6.043 10.564 6.061 1.00 0.00 H new ATOM 0 HD13 ILE A 369 5.012 11.771 6.866 1.00 0.00 H new ATOM 985 N ILE A 370 7.421 13.246 1.557 1.00 0.00 N ATOM 986 CA ILE A 370 8.167 14.279 0.846 1.00 0.00 C ATOM 987 C ILE A 370 7.241 15.176 0.032 1.00 0.00 C ATOM 988 O ILE A 370 6.016 14.937 0.057 1.00 0.00 O ATOM 989 CB ILE A 370 9.228 13.669 -0.088 1.00 0.00 C ATOM 990 CG1 ILE A 370 8.808 12.247 -0.459 1.00 0.00 C ATOM 991 CG2 ILE A 370 10.597 13.699 0.583 1.00 0.00 C ATOM 992 CD1 ILE A 370 9.946 11.260 -0.624 1.00 0.00 C ATOM 993 OXT ILE A 370 7.749 16.109 -0.624 1.00 0.00 O ATOM 0 H ILE A 370 6.855 12.644 0.959 1.00 0.00 H new ATOM 0 HA ILE A 370 8.667 14.879 1.606 1.00 0.00 H new ATOM 0 HB ILE A 370 9.303 14.255 -1.004 1.00 0.00 H new ATOM 0 HG12 ILE A 370 8.132 11.873 0.310 1.00 0.00 H new ATOM 0 HG13 ILE A 370 8.242 12.284 -1.390 1.00 0.00 H new ATOM 0 HG21 ILE A 370 11.340 13.265 -0.086 1.00 0.00 H new ATOM 0 HG22 ILE A 370 10.869 14.730 0.808 1.00 0.00 H new ATOM 0 HG23 ILE A 370 10.562 13.123 1.508 1.00 0.00 H new ATOM 0 HD11 ILE A 370 9.544 10.282 -0.887 1.00 0.00 H new ATOM 0 HD12 ILE A 370 10.613 11.602 -1.415 1.00 0.00 H new ATOM 0 HD13 ILE A 370 10.501 11.185 0.311 1.00 0.00 H new