USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=10 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 340 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 347 SER OG : rot 65:sc= 0.763 USER MOD Single : A 315 TYR OH : rot 180:sc= 0 USER MOD Single : A 321 ASN : amide:sc= -0.0228 X(o=-0.023,f=-0.36) USER MOD Single : A 324 MET CE :methyl -146:sc= -0.337 (180deg=-1.72!) USER MOD Single : A 329 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 330 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 334 MET CE :methyl -165:sc= -15.7! (180deg=-18.3!) USER MOD Single : A 338 SER OG : rot 170:sc= -2.51! USER MOD Single : A 339 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 351 LYS NZ :NH3+ -145:sc= -1.38 (180deg=-3.09!) USER MOD Single : A 354 THR OG1 : rot 180:sc= -2.93! USER MOD Single : A 355 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 356 ASN : amide:sc= -0.295 X(o=-0.3,f=-0.3) USER MOD Single : A 358 ASN : amide:sc= -0.709 K(o=-0.71,f=-1.6!) 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= 0.172 X(o=0.17,f=0) USER MOD Single : A 366 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 310 6.399 12.815 -3.280 1.00 0.00 N ATOM 2 CA PHE A 310 5.591 11.667 -2.875 1.00 0.00 C ATOM 3 C PHE A 310 6.048 11.117 -1.525 1.00 0.00 C ATOM 4 O PHE A 310 5.853 11.760 -0.490 1.00 0.00 O ATOM 5 CB PHE A 310 5.625 10.571 -3.945 1.00 0.00 C ATOM 6 CG PHE A 310 5.059 10.975 -5.233 1.00 0.00 C ATOM 7 CD1 PHE A 310 3.726 10.793 -5.477 1.00 0.00 C ATOM 8 CD2 PHE A 310 5.864 11.503 -6.207 1.00 0.00 C ATOM 9 CE1 PHE A 310 3.190 11.137 -6.679 1.00 0.00 C ATOM 10 CE2 PHE A 310 5.344 11.850 -7.418 1.00 0.00 C ATOM 11 CZ PHE A 310 3.996 11.671 -7.667 1.00 0.00 C ATOM 0 HA PHE A 310 4.561 12.008 -2.767 1.00 0.00 H new ATOM 0 HB2 PHE A 310 6.658 10.258 -4.096 1.00 0.00 H new ATOM 0 HB3 PHE A 310 5.079 9.702 -3.577 1.00 0.00 H new ATOM 0 HD1 PHE A 310 3.093 10.373 -4.709 1.00 0.00 H new ATOM 0 HD2 PHE A 310 6.917 11.645 -6.014 1.00 0.00 H new ATOM 0 HE1 PHE A 310 2.135 10.993 -6.861 1.00 0.00 H new ATOM 0 HE2 PHE A 310 5.984 12.264 -8.182 1.00 0.00 H new ATOM 0 HZ PHE A 310 3.577 11.946 -8.624 1.00 0.00 H new ATOM 21 N ALA A 311 6.648 9.928 -1.531 1.00 0.00 N ATOM 22 CA ALA A 311 7.113 9.316 -0.297 1.00 0.00 C ATOM 23 C ALA A 311 8.425 8.576 -0.507 1.00 0.00 C ATOM 24 O ALA A 311 8.838 8.314 -1.636 1.00 0.00 O ATOM 25 CB ALA A 311 6.055 8.373 0.255 1.00 0.00 C ATOM 0 H ALA A 311 6.821 9.376 -2.371 1.00 0.00 H new ATOM 0 HA ALA A 311 7.290 10.111 0.427 1.00 0.00 H new ATOM 0 HB1 ALA A 311 6.416 7.922 1.179 1.00 0.00 H new ATOM 0 HB2 ALA A 311 5.140 8.931 0.457 1.00 0.00 H new ATOM 0 HB3 ALA A 311 5.849 7.590 -0.475 1.00 0.00 H new ATOM 31 N ARG A 312 9.072 8.244 0.596 1.00 0.00 N ATOM 32 CA ARG A 312 10.335 7.530 0.566 1.00 0.00 C ATOM 33 C ARG A 312 10.290 6.369 1.544 1.00 0.00 C ATOM 34 O ARG A 312 9.380 6.278 2.365 1.00 0.00 O ATOM 35 CB ARG A 312 11.495 8.465 0.903 1.00 0.00 C ATOM 36 CG ARG A 312 12.804 8.060 0.257 1.00 0.00 C ATOM 37 CD ARG A 312 13.980 8.436 1.129 1.00 0.00 C ATOM 38 NE ARG A 312 14.429 9.804 0.886 1.00 0.00 N ATOM 39 CZ ARG A 312 15.708 10.159 0.820 1.00 0.00 C ATOM 40 NH1 ARG A 312 16.662 9.249 0.974 1.00 0.00 N ATOM 41 NH2 ARG A 312 16.036 11.424 0.594 1.00 0.00 N ATOM 0 H ARG A 312 8.738 8.461 1.535 1.00 0.00 H new ATOM 0 HA ARG A 312 10.495 7.144 -0.441 1.00 0.00 H new ATOM 0 HB2 ARG A 312 11.240 9.476 0.586 1.00 0.00 H new ATOM 0 HB3 ARG A 312 11.626 8.493 1.985 1.00 0.00 H new ATOM 0 HG2 ARG A 312 12.808 6.985 0.079 1.00 0.00 H new ATOM 0 HG3 ARG A 312 12.899 8.544 -0.715 1.00 0.00 H new ATOM 0 HD2 ARG A 312 13.703 8.327 2.177 1.00 0.00 H new ATOM 0 HD3 ARG A 312 14.803 7.746 0.943 1.00 0.00 H new ATOM 0 HE ARG A 312 13.721 10.528 0.760 1.00 0.00 H new ATOM 0 HH11 ARG A 312 16.414 8.274 1.144 1.00 0.00 H new ATOM 0 HH12 ARG A 312 17.643 9.525 0.923 1.00 0.00 H new ATOM 0 HH21 ARG A 312 15.306 12.126 0.471 1.00 0.00 H new ATOM 0 HH22 ARG A 312 17.018 11.695 0.544 1.00 0.00 H new ATOM 55 N ALA A 313 11.261 5.476 1.454 1.00 0.00 N ATOM 56 CA ALA A 313 11.299 4.321 2.343 1.00 0.00 C ATOM 57 C ALA A 313 12.299 4.532 3.471 1.00 0.00 C ATOM 58 O ALA A 313 13.511 4.434 3.276 1.00 0.00 O ATOM 59 CB ALA A 313 11.643 3.064 1.563 1.00 0.00 C ATOM 0 H ALA A 313 12.027 5.524 0.783 1.00 0.00 H new ATOM 0 HA ALA A 313 10.309 4.202 2.784 1.00 0.00 H new ATOM 0 HB1 ALA A 313 11.668 2.211 2.241 1.00 0.00 H new ATOM 0 HB2 ALA A 313 10.889 2.895 0.794 1.00 0.00 H new ATOM 0 HB3 ALA A 313 12.620 3.183 1.094 1.00 0.00 H new ATOM 65 N LEU A 314 11.771 4.818 4.659 1.00 0.00 N ATOM 66 CA LEU A 314 12.597 5.040 5.838 1.00 0.00 C ATOM 67 C LEU A 314 13.219 3.730 6.299 1.00 0.00 C ATOM 68 O LEU A 314 14.441 3.590 6.346 1.00 0.00 O ATOM 69 CB LEU A 314 11.761 5.641 6.969 1.00 0.00 C ATOM 70 CG LEU A 314 11.471 7.137 6.838 1.00 0.00 C ATOM 71 CD1 LEU A 314 10.100 7.465 7.405 1.00 0.00 C ATOM 72 CD2 LEU A 314 12.550 7.948 7.541 1.00 0.00 C ATOM 0 H LEU A 314 10.769 4.901 4.828 1.00 0.00 H new ATOM 0 HA LEU A 314 13.391 5.739 5.576 1.00 0.00 H new ATOM 0 HB2 LEU A 314 10.813 5.106 7.022 1.00 0.00 H new ATOM 0 HB3 LEU A 314 12.278 5.468 7.913 1.00 0.00 H new ATOM 0 HG LEU A 314 11.475 7.400 5.780 1.00 0.00 H new ATOM 0 HD11 LEU A 314 9.910 8.534 7.303 1.00 0.00 H new ATOM 0 HD12 LEU A 314 9.338 6.908 6.860 1.00 0.00 H new ATOM 0 HD13 LEU A 314 10.067 7.189 8.459 1.00 0.00 H new ATOM 0 HD21 LEU A 314 12.330 9.011 7.439 1.00 0.00 H new ATOM 0 HD22 LEU A 314 12.575 7.682 8.598 1.00 0.00 H new ATOM 0 HD23 LEU A 314 13.519 7.733 7.090 1.00 0.00 H new ATOM 84 N TYR A 315 12.361 2.771 6.631 1.00 0.00 N ATOM 85 CA TYR A 315 12.813 1.463 7.081 1.00 0.00 C ATOM 86 C TYR A 315 12.441 0.389 6.064 1.00 0.00 C ATOM 87 O TYR A 315 11.386 0.458 5.434 1.00 0.00 O ATOM 88 CB TYR A 315 12.200 1.126 8.442 1.00 0.00 C ATOM 89 CG TYR A 315 12.606 2.076 9.545 1.00 0.00 C ATOM 90 CD1 TYR A 315 13.808 1.912 10.222 1.00 0.00 C ATOM 91 CD2 TYR A 315 11.788 3.137 9.909 1.00 0.00 C ATOM 92 CE1 TYR A 315 14.183 2.778 11.232 1.00 0.00 C ATOM 93 CE2 TYR A 315 12.155 4.008 10.917 1.00 0.00 C ATOM 94 CZ TYR A 315 13.353 3.824 11.575 1.00 0.00 C ATOM 95 OH TYR A 315 13.721 4.689 12.580 1.00 0.00 O ATOM 0 H TYR A 315 11.347 2.877 6.596 1.00 0.00 H new ATOM 0 HA TYR A 315 13.898 1.492 7.179 1.00 0.00 H new ATOM 0 HB2 TYR A 315 11.114 1.131 8.352 1.00 0.00 H new ATOM 0 HB3 TYR A 315 12.492 0.114 8.721 1.00 0.00 H new ATOM 0 HD1 TYR A 315 14.461 1.094 9.955 1.00 0.00 H new ATOM 0 HD2 TYR A 315 10.849 3.284 9.396 1.00 0.00 H new ATOM 0 HE1 TYR A 315 15.120 2.636 11.749 1.00 0.00 H new ATOM 0 HE2 TYR A 315 11.507 4.828 11.188 1.00 0.00 H new ATOM 0 HH TYR A 315 13.026 5.370 12.696 1.00 0.00 H new ATOM 105 N ASP A 316 13.314 -0.602 5.911 1.00 0.00 N ATOM 106 CA ASP A 316 13.079 -1.694 4.972 1.00 0.00 C ATOM 107 C ASP A 316 11.717 -2.338 5.222 1.00 0.00 C ATOM 108 O ASP A 316 11.528 -3.029 6.223 1.00 0.00 O ATOM 109 CB ASP A 316 14.186 -2.745 5.102 1.00 0.00 C ATOM 110 CG ASP A 316 13.848 -4.041 4.389 1.00 0.00 C ATOM 111 OD1 ASP A 316 13.120 -4.870 4.975 1.00 0.00 O ATOM 112 OD2 ASP A 316 14.315 -4.227 3.245 1.00 0.00 O ATOM 0 H ASP A 316 14.192 -0.671 6.426 1.00 0.00 H new ATOM 0 HA ASP A 316 13.088 -1.287 3.961 1.00 0.00 H new ATOM 0 HB2 ASP A 316 15.114 -2.342 4.695 1.00 0.00 H new ATOM 0 HB3 ASP A 316 14.364 -2.951 6.157 1.00 0.00 H new ATOM 117 N PHE A 317 10.769 -2.110 4.314 1.00 0.00 N ATOM 118 CA PHE A 317 9.441 -2.673 4.461 1.00 0.00 C ATOM 119 C PHE A 317 9.374 -4.074 3.854 1.00 0.00 C ATOM 120 O PHE A 317 10.219 -4.446 3.039 1.00 0.00 O ATOM 121 CB PHE A 317 8.388 -1.752 3.838 1.00 0.00 C ATOM 122 CG PHE A 317 6.974 -2.218 4.038 1.00 0.00 C ATOM 123 CD1 PHE A 317 6.339 -2.075 5.265 1.00 0.00 C ATOM 124 CD2 PHE A 317 6.279 -2.803 2.992 1.00 0.00 C ATOM 125 CE1 PHE A 317 5.040 -2.507 5.437 1.00 0.00 C ATOM 126 CE2 PHE A 317 4.979 -3.236 3.163 1.00 0.00 C ATOM 127 CZ PHE A 317 4.361 -3.087 4.387 1.00 0.00 C ATOM 0 H PHE A 317 10.901 -1.543 3.477 1.00 0.00 H new ATOM 0 HA PHE A 317 9.224 -2.759 5.526 1.00 0.00 H new ATOM 0 HB2 PHE A 317 8.495 -0.754 4.264 1.00 0.00 H new ATOM 0 HB3 PHE A 317 8.583 -1.665 2.769 1.00 0.00 H new ATOM 0 HD1 PHE A 317 6.866 -1.622 6.091 1.00 0.00 H new ATOM 0 HD2 PHE A 317 6.759 -2.922 2.032 1.00 0.00 H new ATOM 0 HE1 PHE A 317 4.555 -2.391 6.395 1.00 0.00 H new ATOM 0 HE2 PHE A 317 4.447 -3.690 2.340 1.00 0.00 H new ATOM 0 HZ PHE A 317 3.344 -3.425 4.523 1.00 0.00 H new ATOM 137 N VAL A 318 8.369 -4.851 4.260 1.00 0.00 N ATOM 138 CA VAL A 318 8.200 -6.213 3.765 1.00 0.00 C ATOM 139 C VAL A 318 6.730 -6.628 3.826 1.00 0.00 C ATOM 140 O VAL A 318 6.022 -6.285 4.773 1.00 0.00 O ATOM 141 CB VAL A 318 9.057 -7.212 4.582 1.00 0.00 C ATOM 142 CG1 VAL A 318 8.467 -8.615 4.544 1.00 0.00 C ATOM 143 CG2 VAL A 318 10.491 -7.226 4.074 1.00 0.00 C ATOM 0 H VAL A 318 7.660 -4.557 4.932 1.00 0.00 H new ATOM 0 HA VAL A 318 8.535 -6.233 2.728 1.00 0.00 H new ATOM 0 HB VAL A 318 9.055 -6.877 5.619 1.00 0.00 H new ATOM 0 HG11 VAL A 318 9.094 -9.289 5.127 1.00 0.00 H new ATOM 0 HG12 VAL A 318 7.462 -8.599 4.965 1.00 0.00 H new ATOM 0 HG13 VAL A 318 8.422 -8.963 3.512 1.00 0.00 H new ATOM 0 HG21 VAL A 318 11.078 -7.933 4.660 1.00 0.00 H new ATOM 0 HG22 VAL A 318 10.503 -7.525 3.026 1.00 0.00 H new ATOM 0 HG23 VAL A 318 10.921 -6.229 4.172 1.00 0.00 H new ATOM 153 N PRO A 319 6.248 -7.373 2.811 1.00 0.00 N ATOM 154 CA PRO A 319 4.857 -7.830 2.755 1.00 0.00 C ATOM 155 C PRO A 319 4.383 -8.454 4.061 1.00 0.00 C ATOM 156 O PRO A 319 4.646 -9.626 4.331 1.00 0.00 O ATOM 157 CB PRO A 319 4.878 -8.876 1.644 1.00 0.00 C ATOM 158 CG PRO A 319 5.975 -8.436 0.743 1.00 0.00 C ATOM 159 CD PRO A 319 7.021 -7.822 1.633 1.00 0.00 C ATOM 0 HA PRO A 319 4.169 -7.003 2.578 1.00 0.00 H new ATOM 0 HB2 PRO A 319 5.066 -9.874 2.041 1.00 0.00 H new ATOM 0 HB3 PRO A 319 3.924 -8.917 1.118 1.00 0.00 H new ATOM 0 HG2 PRO A 319 6.383 -9.279 0.185 1.00 0.00 H new ATOM 0 HG3 PRO A 319 5.613 -7.714 0.011 1.00 0.00 H new ATOM 0 HD2 PRO A 319 7.789 -8.545 1.908 1.00 0.00 H new ATOM 0 HD3 PRO A 319 7.527 -6.990 1.143 1.00 0.00 H new ATOM 167 N GLU A 320 3.670 -7.666 4.862 1.00 0.00 N ATOM 168 CA GLU A 320 3.142 -8.151 6.129 1.00 0.00 C ATOM 169 C GLU A 320 2.306 -9.401 5.897 1.00 0.00 C ATOM 170 O GLU A 320 2.257 -10.296 6.742 1.00 0.00 O ATOM 171 CB GLU A 320 2.304 -7.075 6.814 1.00 0.00 C ATOM 172 CG GLU A 320 3.100 -6.210 7.778 1.00 0.00 C ATOM 173 CD GLU A 320 2.464 -6.128 9.153 1.00 0.00 C ATOM 174 OE1 GLU A 320 1.601 -6.977 9.461 1.00 0.00 O ATOM 175 OE2 GLU A 320 2.832 -5.216 9.923 1.00 0.00 O ATOM 0 H GLU A 320 3.447 -6.693 4.655 1.00 0.00 H new ATOM 0 HA GLU A 320 3.979 -8.398 6.782 1.00 0.00 H new ATOM 0 HB2 GLU A 320 1.853 -6.438 6.053 1.00 0.00 H new ATOM 0 HB3 GLU A 320 1.487 -7.552 7.356 1.00 0.00 H new ATOM 0 HG2 GLU A 320 4.109 -6.612 7.872 1.00 0.00 H new ATOM 0 HG3 GLU A 320 3.194 -5.206 7.365 1.00 0.00 H new ATOM 182 N ASN A 321 1.667 -9.463 4.731 1.00 0.00 N ATOM 183 CA ASN A 321 0.854 -10.610 4.370 1.00 0.00 C ATOM 184 C ASN A 321 1.232 -11.086 2.974 1.00 0.00 C ATOM 185 O ASN A 321 1.330 -10.279 2.048 1.00 0.00 O ATOM 186 CB ASN A 321 -0.634 -10.257 4.422 1.00 0.00 C ATOM 187 CG ASN A 321 -1.465 -11.349 5.064 1.00 0.00 C ATOM 188 OD1 ASN A 321 -1.856 -12.315 4.408 1.00 0.00 O ATOM 189 ND2 ASN A 321 -1.743 -11.202 6.354 1.00 0.00 N ATOM 0 H ASN A 321 1.700 -8.729 4.023 1.00 0.00 H new ATOM 0 HA ASN A 321 1.039 -11.410 5.087 1.00 0.00 H new ATOM 0 HB2 ASN A 321 -0.765 -9.329 4.979 1.00 0.00 H new ATOM 0 HB3 ASN A 321 -0.997 -10.075 3.410 1.00 0.00 H new ATOM 0 HD21 ASN A 321 -2.301 -11.905 6.839 1.00 0.00 H new ATOM 0 HD22 ASN A 321 -1.399 -10.386 6.860 1.00 0.00 H new ATOM 196 N PRO A 322 1.460 -12.399 2.796 1.00 0.00 N ATOM 197 CA PRO A 322 1.830 -12.957 1.494 1.00 0.00 C ATOM 198 C PRO A 322 0.641 -13.013 0.546 1.00 0.00 C ATOM 199 O PRO A 322 0.468 -13.979 -0.199 1.00 0.00 O ATOM 200 CB PRO A 322 2.315 -14.365 1.840 1.00 0.00 C ATOM 201 CG PRO A 322 1.574 -14.724 3.082 1.00 0.00 C ATOM 202 CD PRO A 322 1.378 -13.438 3.842 1.00 0.00 C ATOM 0 HA PRO A 322 2.579 -12.355 0.979 1.00 0.00 H new ATOM 0 HB2 PRO A 322 2.101 -15.067 1.034 1.00 0.00 H new ATOM 0 HB3 PRO A 322 3.393 -14.384 2.002 1.00 0.00 H new ATOM 0 HG2 PRO A 322 0.616 -15.185 2.844 1.00 0.00 H new ATOM 0 HG3 PRO A 322 2.136 -15.445 3.676 1.00 0.00 H new ATOM 0 HD2 PRO A 322 0.415 -13.417 4.353 1.00 0.00 H new ATOM 0 HD3 PRO A 322 2.146 -13.302 4.603 1.00 0.00 H new ATOM 210 N GLU A 323 -0.179 -11.968 0.583 1.00 0.00 N ATOM 211 CA GLU A 323 -1.358 -11.889 -0.264 1.00 0.00 C ATOM 212 C GLU A 323 -1.419 -10.545 -0.982 1.00 0.00 C ATOM 213 O GLU A 323 -1.818 -10.477 -2.145 1.00 0.00 O ATOM 214 CB GLU A 323 -2.624 -12.096 0.575 1.00 0.00 C ATOM 215 CG GLU A 323 -3.889 -11.569 -0.083 1.00 0.00 C ATOM 216 CD GLU A 323 -4.405 -12.484 -1.177 1.00 0.00 C ATOM 217 OE1 GLU A 323 -3.816 -12.484 -2.278 1.00 0.00 O ATOM 218 OE2 GLU A 323 -5.398 -13.200 -0.932 1.00 0.00 O ATOM 0 H GLU A 323 -0.046 -11.162 1.194 1.00 0.00 H new ATOM 0 HA GLU A 323 -1.295 -12.677 -1.015 1.00 0.00 H new ATOM 0 HB2 GLU A 323 -2.746 -13.161 0.775 1.00 0.00 H new ATOM 0 HB3 GLU A 323 -2.495 -11.603 1.539 1.00 0.00 H new ATOM 0 HG2 GLU A 323 -4.662 -11.443 0.675 1.00 0.00 H new ATOM 0 HG3 GLU A 323 -3.691 -10.583 -0.503 1.00 0.00 H new ATOM 225 N MET A 324 -1.031 -9.475 -0.287 1.00 0.00 N ATOM 226 CA MET A 324 -1.066 -8.147 -0.888 1.00 0.00 C ATOM 227 C MET A 324 -0.205 -7.138 -0.135 1.00 0.00 C ATOM 228 O MET A 324 -0.629 -6.588 0.882 1.00 0.00 O ATOM 229 CB MET A 324 -2.502 -7.643 -0.887 1.00 0.00 C ATOM 230 CG MET A 324 -2.749 -6.487 -1.842 1.00 0.00 C ATOM 231 SD MET A 324 -4.157 -6.777 -2.932 1.00 0.00 S ATOM 232 CE MET A 324 -3.692 -8.338 -3.678 1.00 0.00 C ATOM 0 H MET A 324 -0.695 -9.502 0.676 1.00 0.00 H new ATOM 0 HA MET A 324 -0.670 -8.238 -1.899 1.00 0.00 H new ATOM 0 HB2 MET A 324 -3.166 -8.467 -1.149 1.00 0.00 H new ATOM 0 HB3 MET A 324 -2.766 -7.330 0.123 1.00 0.00 H new ATOM 0 HG2 MET A 324 -2.920 -5.576 -1.268 1.00 0.00 H new ATOM 0 HG3 MET A 324 -1.856 -6.321 -2.444 1.00 0.00 H new ATOM 0 HE1 MET A 324 -4.048 -8.370 -4.708 1.00 0.00 H new ATOM 0 HE2 MET A 324 -2.607 -8.438 -3.666 1.00 0.00 H new ATOM 0 HE3 MET A 324 -4.138 -9.158 -3.115 1.00 0.00 H new ATOM 242 N GLU A 325 0.982 -6.861 -0.663 1.00 0.00 N ATOM 243 CA GLU A 325 1.869 -5.875 -0.058 1.00 0.00 C ATOM 244 C GLU A 325 3.052 -5.553 -0.955 1.00 0.00 C ATOM 245 O GLU A 325 3.302 -6.241 -1.945 1.00 0.00 O ATOM 246 CB GLU A 325 2.338 -6.302 1.322 1.00 0.00 C ATOM 247 CG GLU A 325 2.300 -5.162 2.319 1.00 0.00 C ATOM 248 CD GLU A 325 1.819 -5.600 3.689 1.00 0.00 C ATOM 249 OE1 GLU A 325 1.319 -6.739 3.807 1.00 0.00 O ATOM 250 OE2 GLU A 325 1.933 -4.803 4.643 1.00 0.00 O ATOM 0 H GLU A 325 1.351 -7.303 -1.505 1.00 0.00 H new ATOM 0 HA GLU A 325 1.283 -4.963 0.060 1.00 0.00 H new ATOM 0 HB2 GLU A 325 1.710 -7.117 1.681 1.00 0.00 H new ATOM 0 HB3 GLU A 325 3.355 -6.689 1.254 1.00 0.00 H new ATOM 0 HG2 GLU A 325 3.297 -4.730 2.409 1.00 0.00 H new ATOM 0 HG3 GLU A 325 1.645 -4.377 1.942 1.00 0.00 H new ATOM 257 N VAL A 326 3.776 -4.498 -0.600 1.00 0.00 N ATOM 258 CA VAL A 326 4.937 -4.075 -1.375 1.00 0.00 C ATOM 259 C VAL A 326 6.236 -4.315 -0.612 1.00 0.00 C ATOM 260 O VAL A 326 6.224 -4.550 0.595 1.00 0.00 O ATOM 261 CB VAL A 326 4.840 -2.591 -1.761 1.00 0.00 C ATOM 262 CG1 VAL A 326 3.647 -2.358 -2.673 1.00 0.00 C ATOM 263 CG2 VAL A 326 4.745 -1.714 -0.521 1.00 0.00 C ATOM 0 H VAL A 326 3.580 -3.921 0.218 1.00 0.00 H new ATOM 0 HA VAL A 326 4.946 -4.678 -2.283 1.00 0.00 H new ATOM 0 HB VAL A 326 5.747 -2.318 -2.300 1.00 0.00 H new ATOM 0 HG11 VAL A 326 3.592 -1.302 -2.938 1.00 0.00 H new ATOM 0 HG12 VAL A 326 3.760 -2.954 -3.579 1.00 0.00 H new ATOM 0 HG13 VAL A 326 2.732 -2.651 -2.158 1.00 0.00 H new ATOM 0 HG21 VAL A 326 4.677 -0.668 -0.820 1.00 0.00 H new ATOM 0 HG22 VAL A 326 3.858 -1.986 0.050 1.00 0.00 H new ATOM 0 HG23 VAL A 326 5.632 -1.859 0.096 1.00 0.00 H new ATOM 273 N ALA A 327 7.357 -4.256 -1.327 1.00 0.00 N ATOM 274 CA ALA A 327 8.666 -4.465 -0.721 1.00 0.00 C ATOM 275 C ALA A 327 9.472 -3.169 -0.703 1.00 0.00 C ATOM 276 O ALA A 327 9.425 -2.386 -1.651 1.00 0.00 O ATOM 277 CB ALA A 327 9.425 -5.554 -1.466 1.00 0.00 C ATOM 0 H ALA A 327 7.383 -4.065 -2.329 1.00 0.00 H new ATOM 0 HA ALA A 327 8.518 -4.785 0.310 1.00 0.00 H new ATOM 0 HB1 ALA A 327 10.401 -5.699 -1.003 1.00 0.00 H new ATOM 0 HB2 ALA A 327 8.860 -6.485 -1.423 1.00 0.00 H new ATOM 0 HB3 ALA A 327 9.558 -5.258 -2.507 1.00 0.00 H new ATOM 283 N LEU A 328 10.208 -2.949 0.382 1.00 0.00 N ATOM 284 CA LEU A 328 11.021 -1.744 0.523 1.00 0.00 C ATOM 285 C LEU A 328 12.357 -2.052 1.179 1.00 0.00 C ATOM 286 O LEU A 328 12.403 -2.634 2.262 1.00 0.00 O ATOM 287 CB LEU A 328 10.297 -0.706 1.374 1.00 0.00 C ATOM 288 CG LEU A 328 9.170 0.065 0.682 1.00 0.00 C ATOM 289 CD1 LEU A 328 8.656 1.167 1.594 1.00 0.00 C ATOM 290 CD2 LEU A 328 9.629 0.645 -0.648 1.00 0.00 C ATOM 0 H LEU A 328 10.259 -3.588 1.176 1.00 0.00 H new ATOM 0 HA LEU A 328 11.192 -1.354 -0.480 1.00 0.00 H new ATOM 0 HB2 LEU A 328 9.883 -1.208 2.248 1.00 0.00 H new ATOM 0 HB3 LEU A 328 11.032 0.013 1.737 1.00 0.00 H new ATOM 0 HG LEU A 328 8.359 -0.633 0.476 1.00 0.00 H new ATOM 0 HD11 LEU A 328 7.855 1.710 1.093 1.00 0.00 H new ATOM 0 HD12 LEU A 328 8.276 0.728 2.516 1.00 0.00 H new ATOM 0 HD13 LEU A 328 9.469 1.855 1.828 1.00 0.00 H new ATOM 0 HD21 LEU A 328 8.805 1.186 -1.113 1.00 0.00 H new ATOM 0 HD22 LEU A 328 10.462 1.328 -0.479 1.00 0.00 H new ATOM 0 HD23 LEU A 328 9.950 -0.163 -1.306 1.00 0.00 H new ATOM 302 N LYS A 329 13.437 -1.626 0.535 1.00 0.00 N ATOM 303 CA LYS A 329 14.775 -1.827 1.068 1.00 0.00 C ATOM 304 C LYS A 329 15.299 -0.512 1.635 1.00 0.00 C ATOM 305 O LYS A 329 15.566 0.422 0.881 1.00 0.00 O ATOM 306 CB LYS A 329 15.714 -2.351 -0.021 1.00 0.00 C ATOM 307 CG LYS A 329 15.635 -1.572 -1.325 1.00 0.00 C ATOM 308 CD LYS A 329 15.851 -2.475 -2.528 1.00 0.00 C ATOM 309 CE LYS A 329 17.252 -2.317 -3.095 1.00 0.00 C ATOM 310 NZ LYS A 329 17.526 -3.302 -4.178 1.00 0.00 N ATOM 0 H LYS A 329 13.410 -1.138 -0.360 1.00 0.00 H new ATOM 0 HA LYS A 329 14.733 -2.570 1.865 1.00 0.00 H new ATOM 0 HB2 LYS A 329 16.739 -2.319 0.349 1.00 0.00 H new ATOM 0 HB3 LYS A 329 15.479 -3.397 -0.218 1.00 0.00 H new ATOM 0 HG2 LYS A 329 14.661 -1.088 -1.402 1.00 0.00 H new ATOM 0 HG3 LYS A 329 16.385 -0.781 -1.323 1.00 0.00 H new ATOM 0 HD2 LYS A 329 15.689 -3.513 -2.239 1.00 0.00 H new ATOM 0 HD3 LYS A 329 15.116 -2.240 -3.298 1.00 0.00 H new ATOM 0 HE2 LYS A 329 17.375 -1.306 -3.484 1.00 0.00 H new ATOM 0 HE3 LYS A 329 17.983 -2.442 -2.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 329 18.491 -3.162 -4.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 329 17.434 -4.267 -3.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 329 16.844 -3.166 -4.952 1.00 0.00 H new ATOM 324 N LYS A 330 15.412 -0.450 2.968 1.00 0.00 N ATOM 325 CA LYS A 330 15.875 0.752 3.674 1.00 0.00 C ATOM 326 C LYS A 330 16.581 1.728 2.745 1.00 0.00 C ATOM 327 O LYS A 330 17.651 1.439 2.209 1.00 0.00 O ATOM 328 CB LYS A 330 16.787 0.376 4.834 1.00 0.00 C ATOM 329 CG LYS A 330 16.246 0.816 6.170 1.00 0.00 C ATOM 330 CD LYS A 330 17.337 0.878 7.229 1.00 0.00 C ATOM 331 CE LYS A 330 16.754 0.850 8.633 1.00 0.00 C ATOM 332 NZ LYS A 330 17.750 1.270 9.658 1.00 0.00 N ATOM 0 H LYS A 330 15.186 -1.229 3.586 1.00 0.00 H new ATOM 0 HA LYS A 330 14.989 1.254 4.064 1.00 0.00 H new ATOM 0 HB2 LYS A 330 16.929 -0.705 4.843 1.00 0.00 H new ATOM 0 HB3 LYS A 330 17.768 0.825 4.679 1.00 0.00 H new ATOM 0 HG2 LYS A 330 15.782 1.797 6.069 1.00 0.00 H new ATOM 0 HG3 LYS A 330 15.466 0.126 6.492 1.00 0.00 H new ATOM 0 HD2 LYS A 330 18.019 0.037 7.100 1.00 0.00 H new ATOM 0 HD3 LYS A 330 17.924 1.787 7.096 1.00 0.00 H new ATOM 0 HE2 LYS A 330 15.887 1.509 8.679 1.00 0.00 H new ATOM 0 HE3 LYS A 330 16.402 -0.157 8.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 330 17.313 1.237 10.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 330 18.567 0.627 9.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 330 18.067 2.240 9.457 1.00 0.00 H new ATOM 346 N GLY A 331 15.951 2.879 2.545 1.00 0.00 N ATOM 347 CA GLY A 331 16.498 3.886 1.664 1.00 0.00 C ATOM 348 C GLY A 331 15.738 3.939 0.358 1.00 0.00 C ATOM 349 O GLY A 331 15.924 4.855 -0.444 1.00 0.00 O ATOM 0 H GLY A 331 15.065 3.132 2.982 1.00 0.00 H new ATOM 0 HA2 GLY A 331 16.458 4.860 2.151 1.00 0.00 H new ATOM 0 HA3 GLY A 331 17.548 3.670 1.468 1.00 0.00 H new ATOM 353 N ASP A 332 14.876 2.943 0.145 1.00 0.00 N ATOM 354 CA ASP A 332 14.085 2.853 -1.048 1.00 0.00 C ATOM 355 C ASP A 332 13.163 4.066 -1.181 1.00 0.00 C ATOM 356 O ASP A 332 13.245 5.001 -0.387 1.00 0.00 O ATOM 357 CB ASP A 332 13.289 1.545 -1.032 1.00 0.00 C ATOM 358 CG ASP A 332 12.795 1.144 -2.410 1.00 0.00 C ATOM 359 OD1 ASP A 332 13.585 0.551 -3.174 1.00 0.00 O ATOM 360 OD2 ASP A 332 11.618 1.421 -2.724 1.00 0.00 O ATOM 0 H ASP A 332 14.719 2.183 0.806 1.00 0.00 H new ATOM 0 HA ASP A 332 14.742 2.851 -1.917 1.00 0.00 H new ATOM 0 HB2 ASP A 332 13.914 0.749 -0.629 1.00 0.00 H new ATOM 0 HB3 ASP A 332 12.436 1.651 -0.361 1.00 0.00 H new ATOM 365 N LEU A 333 12.289 4.051 -2.182 1.00 0.00 N ATOM 366 CA LEU A 333 11.360 5.157 -2.397 1.00 0.00 C ATOM 367 C LEU A 333 9.999 4.631 -2.846 1.00 0.00 C ATOM 368 O LEU A 333 9.903 3.518 -3.363 1.00 0.00 O ATOM 369 CB LEU A 333 11.917 6.124 -3.441 1.00 0.00 C ATOM 370 CG LEU A 333 11.541 7.589 -3.229 1.00 0.00 C ATOM 371 CD1 LEU A 333 12.773 8.475 -3.320 1.00 0.00 C ATOM 372 CD2 LEU A 333 10.495 8.020 -4.247 1.00 0.00 C ATOM 0 H LEU A 333 12.204 3.289 -2.855 1.00 0.00 H new ATOM 0 HA LEU A 333 11.236 5.690 -1.454 1.00 0.00 H new ATOM 0 HB2 LEU A 333 13.004 6.041 -3.448 1.00 0.00 H new ATOM 0 HB3 LEU A 333 11.567 5.813 -4.425 1.00 0.00 H new ATOM 0 HG LEU A 333 11.116 7.696 -2.231 1.00 0.00 H new ATOM 0 HD11 LEU A 333 12.485 9.515 -3.166 1.00 0.00 H new ATOM 0 HD12 LEU A 333 13.491 8.180 -2.554 1.00 0.00 H new ATOM 0 HD13 LEU A 333 13.228 8.366 -4.305 1.00 0.00 H new ATOM 0 HD21 LEU A 333 10.237 9.066 -4.083 1.00 0.00 H new ATOM 0 HD22 LEU A 333 10.895 7.898 -5.254 1.00 0.00 H new ATOM 0 HD23 LEU A 333 9.602 7.405 -4.134 1.00 0.00 H new ATOM 384 N MET A 334 8.946 5.426 -2.637 1.00 0.00 N ATOM 385 CA MET A 334 7.593 5.014 -3.011 1.00 0.00 C ATOM 386 C MET A 334 6.644 6.205 -3.172 1.00 0.00 C ATOM 387 O MET A 334 6.797 7.239 -2.519 1.00 0.00 O ATOM 388 CB MET A 334 7.040 4.068 -1.949 1.00 0.00 C ATOM 389 CG MET A 334 7.532 2.645 -2.059 1.00 0.00 C ATOM 390 SD MET A 334 6.543 1.502 -1.065 1.00 0.00 S ATOM 391 CE MET A 334 5.983 2.569 0.261 1.00 0.00 C ATOM 0 H MET A 334 9.005 6.352 -2.214 1.00 0.00 H new ATOM 0 HA MET A 334 7.658 4.513 -3.977 1.00 0.00 H new ATOM 0 HB2 MET A 334 7.303 4.455 -0.964 1.00 0.00 H new ATOM 0 HB3 MET A 334 5.952 4.068 -2.012 1.00 0.00 H new ATOM 0 HG2 MET A 334 7.505 2.333 -3.103 1.00 0.00 H new ATOM 0 HG3 MET A 334 8.573 2.596 -1.738 1.00 0.00 H new ATOM 0 HE1 MET A 334 5.595 1.961 1.078 1.00 0.00 H new ATOM 0 HE2 MET A 334 6.818 3.171 0.621 1.00 0.00 H new ATOM 0 HE3 MET A 334 5.195 3.226 -0.108 1.00 0.00 H new ATOM 401 N ALA A 335 5.641 6.035 -4.032 1.00 0.00 N ATOM 402 CA ALA A 335 4.641 7.072 -4.265 1.00 0.00 C ATOM 403 C ALA A 335 3.322 6.644 -3.637 1.00 0.00 C ATOM 404 O ALA A 335 2.756 5.622 -4.020 1.00 0.00 O ATOM 405 CB ALA A 335 4.466 7.326 -5.755 1.00 0.00 C ATOM 0 H ALA A 335 5.500 5.186 -4.580 1.00 0.00 H new ATOM 0 HA ALA A 335 4.975 8.002 -3.806 1.00 0.00 H new ATOM 0 HB1 ALA A 335 3.716 8.102 -5.906 1.00 0.00 H new ATOM 0 HB2 ALA A 335 5.415 7.650 -6.183 1.00 0.00 H new ATOM 0 HB3 ALA A 335 4.142 6.408 -6.245 1.00 0.00 H new ATOM 411 N ILE A 336 2.844 7.402 -2.657 1.00 0.00 N ATOM 412 CA ILE A 336 1.611 7.039 -1.965 1.00 0.00 C ATOM 413 C ILE A 336 0.415 7.827 -2.476 1.00 0.00 C ATOM 414 O ILE A 336 0.561 8.912 -3.040 1.00 0.00 O ATOM 415 CB ILE A 336 1.735 7.265 -0.446 1.00 0.00 C ATOM 416 CG1 ILE A 336 2.511 8.552 -0.158 1.00 0.00 C ATOM 417 CG2 ILE A 336 2.410 6.074 0.215 1.00 0.00 C ATOM 418 CD1 ILE A 336 1.994 9.315 1.041 1.00 0.00 C ATOM 0 H ILE A 336 3.284 8.261 -2.326 1.00 0.00 H new ATOM 0 HA ILE A 336 1.450 5.980 -2.169 1.00 0.00 H new ATOM 0 HB ILE A 336 0.733 7.367 -0.029 1.00 0.00 H new ATOM 0 HG12 ILE A 336 3.560 8.305 0.004 1.00 0.00 H new ATOM 0 HG13 ILE A 336 2.467 9.197 -1.035 1.00 0.00 H new ATOM 0 HG21 ILE A 336 2.490 6.250 1.288 1.00 0.00 H new ATOM 0 HG22 ILE A 336 1.818 5.176 0.038 1.00 0.00 H new ATOM 0 HG23 ILE A 336 3.407 5.941 -0.206 1.00 0.00 H new ATOM 0 HD11 ILE A 336 2.592 10.215 1.185 1.00 0.00 H new ATOM 0 HD12 ILE A 336 0.953 9.593 0.874 1.00 0.00 H new ATOM 0 HD13 ILE A 336 2.064 8.687 1.929 1.00 0.00 H new ATOM 430 N LEU A 337 -0.771 7.249 -2.297 1.00 0.00 N ATOM 431 CA LEU A 337 -2.003 7.863 -2.761 1.00 0.00 C ATOM 432 C LEU A 337 -3.077 7.898 -1.670 1.00 0.00 C ATOM 433 O LEU A 337 -3.315 8.936 -1.052 1.00 0.00 O ATOM 434 CB LEU A 337 -2.508 7.082 -3.968 1.00 0.00 C ATOM 435 CG LEU A 337 -1.589 7.123 -5.188 1.00 0.00 C ATOM 436 CD1 LEU A 337 -1.063 5.732 -5.514 1.00 0.00 C ATOM 437 CD2 LEU A 337 -2.322 7.716 -6.380 1.00 0.00 C ATOM 0 H LEU A 337 -0.900 6.351 -1.831 1.00 0.00 H new ATOM 0 HA LEU A 337 -1.794 8.898 -3.033 1.00 0.00 H new ATOM 0 HB2 LEU A 337 -2.654 6.042 -3.675 1.00 0.00 H new ATOM 0 HB3 LEU A 337 -3.485 7.473 -4.253 1.00 0.00 H new ATOM 0 HG LEU A 337 -0.735 7.760 -4.957 1.00 0.00 H new ATOM 0 HD11 LEU A 337 -0.411 5.785 -6.386 1.00 0.00 H new ATOM 0 HD12 LEU A 337 -0.501 5.347 -4.663 1.00 0.00 H new ATOM 0 HD13 LEU A 337 -1.900 5.067 -5.727 1.00 0.00 H new ATOM 0 HD21 LEU A 337 -1.656 7.739 -7.242 1.00 0.00 H new ATOM 0 HD22 LEU A 337 -3.194 7.105 -6.612 1.00 0.00 H new ATOM 0 HD23 LEU A 337 -2.643 8.730 -6.142 1.00 0.00 H new ATOM 449 N SER A 338 -3.734 6.757 -1.456 1.00 0.00 N ATOM 450 CA SER A 338 -4.803 6.640 -0.461 1.00 0.00 C ATOM 451 C SER A 338 -4.357 7.103 0.923 1.00 0.00 C ATOM 452 O SER A 338 -3.186 7.411 1.146 1.00 0.00 O ATOM 453 CB SER A 338 -5.293 5.193 -0.382 1.00 0.00 C ATOM 454 OG SER A 338 -6.642 5.133 0.048 1.00 0.00 O ATOM 0 H SER A 338 -3.543 5.893 -1.963 1.00 0.00 H new ATOM 0 HA SER A 338 -5.615 7.291 -0.784 1.00 0.00 H new ATOM 0 HB2 SER A 338 -5.198 4.720 -1.360 1.00 0.00 H new ATOM 0 HB3 SER A 338 -4.663 4.630 0.307 1.00 0.00 H new ATOM 0 HG SER A 338 -6.980 4.220 -0.063 1.00 0.00 H new ATOM 460 N LYS A 339 -5.312 7.143 1.854 1.00 0.00 N ATOM 461 CA LYS A 339 -5.049 7.561 3.225 1.00 0.00 C ATOM 462 C LYS A 339 -5.612 6.506 4.159 1.00 0.00 C ATOM 463 O LYS A 339 -5.240 5.337 4.051 1.00 0.00 O ATOM 464 CB LYS A 339 -5.717 8.906 3.459 1.00 0.00 C ATOM 465 CG LYS A 339 -4.774 10.091 3.307 1.00 0.00 C ATOM 466 CD LYS A 339 -4.236 10.206 1.888 1.00 0.00 C ATOM 467 CE LYS A 339 -2.867 10.867 1.864 1.00 0.00 C ATOM 468 NZ LYS A 339 -2.840 12.055 0.968 1.00 0.00 N ATOM 0 H LYS A 339 -6.283 6.887 1.677 1.00 0.00 H new ATOM 0 HA LYS A 339 -3.980 7.666 3.410 1.00 0.00 H new ATOM 0 HB2 LYS A 339 -6.544 9.018 2.758 1.00 0.00 H new ATOM 0 HB3 LYS A 339 -6.145 8.920 4.461 1.00 0.00 H new ATOM 0 HG2 LYS A 339 -5.298 11.009 3.573 1.00 0.00 H new ATOM 0 HG3 LYS A 339 -3.942 9.986 4.004 1.00 0.00 H new ATOM 0 HD2 LYS A 339 -4.170 9.214 1.441 1.00 0.00 H new ATOM 0 HD3 LYS A 339 -4.931 10.784 1.280 1.00 0.00 H new ATOM 0 HE2 LYS A 339 -2.592 11.168 2.875 1.00 0.00 H new ATOM 0 HE3 LYS A 339 -2.121 10.145 1.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 339 -1.890 12.477 0.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 339 -3.078 11.764 -0.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 339 -3.534 12.755 1.299 1.00 0.00 H new ATOM 482 N LYS A 340 -6.566 6.878 5.021 1.00 0.00 N ATOM 483 CA LYS A 340 -7.199 5.880 5.864 1.00 0.00 C ATOM 484 C LYS A 340 -7.743 4.825 4.915 1.00 0.00 C ATOM 485 O LYS A 340 -7.922 3.660 5.271 1.00 0.00 O ATOM 486 CB LYS A 340 -8.328 6.492 6.700 1.00 0.00 C ATOM 487 CG LYS A 340 -8.106 6.398 8.203 1.00 0.00 C ATOM 488 CD LYS A 340 -7.864 4.962 8.645 1.00 0.00 C ATOM 489 CE LYS A 340 -9.137 4.321 9.174 1.00 0.00 C ATOM 490 NZ LYS A 340 -8.852 3.317 10.237 1.00 0.00 N ATOM 0 H LYS A 340 -6.902 7.833 5.146 1.00 0.00 H new ATOM 0 HA LYS A 340 -6.489 5.457 6.575 1.00 0.00 H new ATOM 0 HB2 LYS A 340 -8.443 7.540 6.425 1.00 0.00 H new ATOM 0 HB3 LYS A 340 -9.264 5.992 6.449 1.00 0.00 H new ATOM 0 HG2 LYS A 340 -7.252 7.015 8.485 1.00 0.00 H new ATOM 0 HG3 LYS A 340 -8.975 6.799 8.725 1.00 0.00 H new ATOM 0 HD2 LYS A 340 -7.484 4.380 7.805 1.00 0.00 H new ATOM 0 HD3 LYS A 340 -7.097 4.943 9.419 1.00 0.00 H new ATOM 0 HE2 LYS A 340 -9.795 5.094 9.571 1.00 0.00 H new ATOM 0 HE3 LYS A 340 -9.670 3.840 8.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 340 -9.745 2.903 10.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 340 -8.245 2.566 9.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 340 -8.366 3.781 11.031 1.00 0.00 H new ATOM 504 N ASP A 341 -7.936 5.304 3.673 1.00 0.00 N ATOM 505 CA ASP A 341 -8.395 4.531 2.520 1.00 0.00 C ATOM 506 C ASP A 341 -9.877 4.782 2.192 1.00 0.00 C ATOM 507 O ASP A 341 -10.181 5.295 1.114 1.00 0.00 O ATOM 508 CB ASP A 341 -8.112 3.030 2.666 1.00 0.00 C ATOM 509 CG ASP A 341 -8.456 2.252 1.411 1.00 0.00 C ATOM 510 OD1 ASP A 341 -9.642 1.898 1.237 1.00 0.00 O ATOM 511 OD2 ASP A 341 -7.541 1.996 0.601 1.00 0.00 O ATOM 0 H ASP A 341 -7.767 6.283 3.443 1.00 0.00 H new ATOM 0 HA ASP A 341 -7.809 4.892 1.675 1.00 0.00 H new ATOM 0 HB2 ASP A 341 -7.058 2.883 2.904 1.00 0.00 H new ATOM 0 HB3 ASP A 341 -8.686 2.635 3.504 1.00 0.00 H new ATOM 516 N PRO A 342 -10.831 4.424 3.084 1.00 0.00 N ATOM 517 CA PRO A 342 -12.250 4.623 2.831 1.00 0.00 C ATOM 518 C PRO A 342 -12.779 5.936 3.405 1.00 0.00 C ATOM 519 O PRO A 342 -12.893 6.932 2.692 1.00 0.00 O ATOM 520 CB PRO A 342 -12.887 3.426 3.543 1.00 0.00 C ATOM 521 CG PRO A 342 -11.907 3.005 4.602 1.00 0.00 C ATOM 522 CD PRO A 342 -10.634 3.794 4.393 1.00 0.00 C ATOM 0 HA PRO A 342 -12.474 4.685 1.766 1.00 0.00 H new ATOM 0 HB2 PRO A 342 -13.845 3.699 3.985 1.00 0.00 H new ATOM 0 HB3 PRO A 342 -13.079 2.613 2.843 1.00 0.00 H new ATOM 0 HG2 PRO A 342 -12.314 3.193 5.596 1.00 0.00 H new ATOM 0 HG3 PRO A 342 -11.709 1.935 4.536 1.00 0.00 H new ATOM 0 HD2 PRO A 342 -10.489 4.536 5.178 1.00 0.00 H new ATOM 0 HD3 PRO A 342 -9.756 3.148 4.399 1.00 0.00 H new ATOM 530 N LEU A 343 -13.104 5.926 4.695 1.00 0.00 N ATOM 531 CA LEU A 343 -13.627 7.112 5.363 1.00 0.00 C ATOM 532 C LEU A 343 -12.623 8.259 5.316 1.00 0.00 C ATOM 533 O LEU A 343 -12.992 9.412 5.092 1.00 0.00 O ATOM 534 CB LEU A 343 -13.976 6.792 6.820 1.00 0.00 C ATOM 535 CG LEU A 343 -15.328 7.325 7.310 1.00 0.00 C ATOM 536 CD1 LEU A 343 -15.404 7.257 8.827 1.00 0.00 C ATOM 537 CD2 LEU A 343 -15.559 8.752 6.831 1.00 0.00 C ATOM 0 H LEU A 343 -13.014 5.108 5.298 1.00 0.00 H new ATOM 0 HA LEU A 343 -14.529 7.421 4.835 1.00 0.00 H new ATOM 0 HB2 LEU A 343 -13.964 5.710 6.948 1.00 0.00 H new ATOM 0 HB3 LEU A 343 -13.192 7.197 7.460 1.00 0.00 H new ATOM 0 HG LEU A 343 -16.113 6.696 6.890 1.00 0.00 H new ATOM 0 HD11 LEU A 343 -16.369 7.639 9.160 1.00 0.00 H new ATOM 0 HD12 LEU A 343 -15.291 6.222 9.151 1.00 0.00 H new ATOM 0 HD13 LEU A 343 -14.606 7.861 9.259 1.00 0.00 H new ATOM 0 HD21 LEU A 343 -16.525 9.105 7.193 1.00 0.00 H new ATOM 0 HD22 LEU A 343 -14.769 9.397 7.216 1.00 0.00 H new ATOM 0 HD23 LEU A 343 -15.549 8.776 5.741 1.00 0.00 H new ATOM 549 N GLY A 344 -11.354 7.935 5.538 1.00 0.00 N ATOM 550 CA GLY A 344 -10.317 8.950 5.528 1.00 0.00 C ATOM 551 C GLY A 344 -10.117 9.566 6.898 1.00 0.00 C ATOM 552 O GLY A 344 -9.892 10.771 7.019 1.00 0.00 O ATOM 0 H GLY A 344 -11.025 6.988 5.725 1.00 0.00 H new ATOM 0 HA2 GLY A 344 -9.380 8.509 5.188 1.00 0.00 H new ATOM 0 HA3 GLY A 344 -10.579 9.730 4.814 1.00 0.00 H new ATOM 556 N ARG A 345 -10.210 8.737 7.934 1.00 0.00 N ATOM 557 CA ARG A 345 -10.049 9.204 9.304 1.00 0.00 C ATOM 558 C ARG A 345 -8.582 9.199 9.722 1.00 0.00 C ATOM 559 O ARG A 345 -7.692 9.382 8.891 1.00 0.00 O ATOM 560 CB ARG A 345 -10.879 8.339 10.257 1.00 0.00 C ATOM 561 CG ARG A 345 -11.895 9.130 11.066 1.00 0.00 C ATOM 562 CD ARG A 345 -13.084 8.274 11.475 1.00 0.00 C ATOM 563 NE ARG A 345 -12.854 6.850 11.235 1.00 0.00 N ATOM 564 CZ ARG A 345 -12.746 5.945 12.202 1.00 0.00 C ATOM 565 NH1 ARG A 345 -12.857 6.309 13.472 1.00 0.00 N ATOM 566 NH2 ARG A 345 -12.528 4.672 11.899 1.00 0.00 N ATOM 0 H ARG A 345 -10.396 7.738 7.849 1.00 0.00 H new ATOM 0 HA ARG A 345 -10.407 10.232 9.355 1.00 0.00 H new ATOM 0 HB2 ARG A 345 -11.401 7.575 9.680 1.00 0.00 H new ATOM 0 HB3 ARG A 345 -10.208 7.819 10.941 1.00 0.00 H new ATOM 0 HG2 ARG A 345 -11.415 9.534 11.957 1.00 0.00 H new ATOM 0 HG3 ARG A 345 -12.244 9.980 10.479 1.00 0.00 H new ATOM 0 HD2 ARG A 345 -13.295 8.432 12.533 1.00 0.00 H new ATOM 0 HD3 ARG A 345 -13.967 8.595 10.922 1.00 0.00 H new ATOM 0 HE ARG A 345 -12.772 6.533 10.269 1.00 0.00 H new ATOM 0 HH11 ARG A 345 -13.026 7.286 13.709 1.00 0.00 H new ATOM 0 HH12 ARG A 345 -12.774 5.612 14.212 1.00 0.00 H new ATOM 0 HH21 ARG A 345 -12.443 4.387 10.923 1.00 0.00 H new ATOM 0 HH22 ARG A 345 -12.445 3.978 12.642 1.00 0.00 H new ATOM 580 N ASP A 346 -8.332 9.007 11.016 1.00 0.00 N ATOM 581 CA ASP A 346 -6.970 9.001 11.533 1.00 0.00 C ATOM 582 C ASP A 346 -6.474 7.589 11.828 1.00 0.00 C ATOM 583 O ASP A 346 -7.166 6.789 12.459 1.00 0.00 O ATOM 584 CB ASP A 346 -6.888 9.855 12.792 1.00 0.00 C ATOM 585 CG ASP A 346 -6.054 11.105 12.594 1.00 0.00 C ATOM 586 OD1 ASP A 346 -5.002 11.017 11.927 1.00 0.00 O ATOM 587 OD2 ASP A 346 -6.452 12.172 13.106 1.00 0.00 O ATOM 0 H ASP A 346 -9.053 8.854 11.721 1.00 0.00 H new ATOM 0 HA ASP A 346 -6.325 9.420 10.761 1.00 0.00 H new ATOM 0 HB2 ASP A 346 -7.894 10.139 13.100 1.00 0.00 H new ATOM 0 HB3 ASP A 346 -6.462 9.263 13.602 1.00 0.00 H new ATOM 592 N SER A 347 -5.255 7.320 11.366 1.00 0.00 N ATOM 593 CA SER A 347 -4.581 6.032 11.543 1.00 0.00 C ATOM 594 C SER A 347 -3.418 5.953 10.569 1.00 0.00 C ATOM 595 O SER A 347 -3.381 6.705 9.594 1.00 0.00 O ATOM 596 CB SER A 347 -5.524 4.854 11.298 1.00 0.00 C ATOM 597 OG SER A 347 -6.040 4.348 12.516 1.00 0.00 O ATOM 0 H SER A 347 -4.697 8.000 10.850 1.00 0.00 H new ATOM 0 HA SER A 347 -4.233 5.968 12.574 1.00 0.00 H new ATOM 0 HB2 SER A 347 -6.346 5.170 10.656 1.00 0.00 H new ATOM 0 HB3 SER A 347 -4.992 4.063 10.769 1.00 0.00 H new ATOM 0 HG SER A 347 -6.604 5.028 12.940 1.00 0.00 H new ATOM 603 N ASP A 348 -2.459 5.072 10.820 1.00 0.00 N ATOM 604 CA ASP A 348 -1.322 4.975 9.930 1.00 0.00 C ATOM 605 C ASP A 348 -1.400 3.747 9.018 1.00 0.00 C ATOM 606 O ASP A 348 -1.012 2.640 9.383 1.00 0.00 O ATOM 607 CB ASP A 348 -0.056 4.974 10.770 1.00 0.00 C ATOM 608 CG ASP A 348 0.314 3.610 11.322 1.00 0.00 C ATOM 609 OD1 ASP A 348 -0.452 3.078 12.153 1.00 0.00 O ATOM 610 OD2 ASP A 348 1.368 3.074 10.921 1.00 0.00 O ATOM 0 H ASP A 348 -2.448 4.431 11.613 1.00 0.00 H new ATOM 0 HA ASP A 348 -1.318 5.835 9.260 1.00 0.00 H new ATOM 0 HB2 ASP A 348 0.770 5.347 10.165 1.00 0.00 H new ATOM 0 HB3 ASP A 348 -0.182 5.669 11.600 1.00 0.00 H new ATOM 615 N TRP A 349 -1.875 3.978 7.801 1.00 0.00 N ATOM 616 CA TRP A 349 -2.000 2.927 6.798 1.00 0.00 C ATOM 617 C TRP A 349 -2.266 3.552 5.440 1.00 0.00 C ATOM 618 O TRP A 349 -3.318 4.154 5.230 1.00 0.00 O ATOM 619 CB TRP A 349 -3.140 1.970 7.158 1.00 0.00 C ATOM 620 CG TRP A 349 -2.673 0.602 7.547 1.00 0.00 C ATOM 621 CD1 TRP A 349 -2.930 -0.047 8.721 1.00 0.00 C ATOM 622 CD2 TRP A 349 -1.866 -0.289 6.765 1.00 0.00 C ATOM 623 NE1 TRP A 349 -2.332 -1.283 8.719 1.00 0.00 N ATOM 624 CE2 TRP A 349 -1.673 -1.456 7.531 1.00 0.00 C ATOM 625 CE3 TRP A 349 -1.287 -0.218 5.493 1.00 0.00 C ATOM 626 CZ2 TRP A 349 -0.926 -2.537 7.067 1.00 0.00 C ATOM 627 CZ3 TRP A 349 -0.549 -1.287 5.039 1.00 0.00 C ATOM 628 CH2 TRP A 349 -0.372 -2.435 5.822 1.00 0.00 C ATOM 0 H TRP A 349 -2.184 4.896 7.481 1.00 0.00 H new ATOM 0 HA TRP A 349 -1.069 2.361 6.766 1.00 0.00 H new ATOM 0 HB2 TRP A 349 -3.715 2.396 7.980 1.00 0.00 H new ATOM 0 HB3 TRP A 349 -3.815 1.886 6.307 1.00 0.00 H new ATOM 0 HD1 TRP A 349 -3.518 0.354 9.533 1.00 0.00 H new ATOM 0 HE1 TRP A 349 -2.372 -1.962 9.479 1.00 0.00 H new ATOM 0 HE3 TRP A 349 -1.417 0.660 4.878 1.00 0.00 H new ATOM 0 HZ2 TRP A 349 -0.790 -3.423 7.669 1.00 0.00 H new ATOM 0 HZ3 TRP A 349 -0.097 -1.240 4.059 1.00 0.00 H new ATOM 0 HH2 TRP A 349 0.214 -3.255 5.434 1.00 0.00 H new ATOM 639 N TRP A 350 -1.317 3.432 4.525 1.00 0.00 N ATOM 640 CA TRP A 350 -1.486 4.022 3.206 1.00 0.00 C ATOM 641 C TRP A 350 -1.291 3.014 2.087 1.00 0.00 C ATOM 642 O TRP A 350 -0.730 1.940 2.279 1.00 0.00 O ATOM 643 CB TRP A 350 -0.492 5.165 3.003 1.00 0.00 C ATOM 644 CG TRP A 350 -0.758 6.373 3.848 1.00 0.00 C ATOM 645 CD1 TRP A 350 -1.956 6.783 4.363 1.00 0.00 C ATOM 646 CD2 TRP A 350 0.207 7.339 4.264 1.00 0.00 C ATOM 647 NE1 TRP A 350 -1.789 7.948 5.074 1.00 0.00 N ATOM 648 CE2 TRP A 350 -0.467 8.308 5.027 1.00 0.00 C ATOM 649 CE3 TRP A 350 1.581 7.474 4.064 1.00 0.00 C ATOM 650 CZ2 TRP A 350 0.189 9.401 5.588 1.00 0.00 C ATOM 651 CZ3 TRP A 350 2.231 8.554 4.620 1.00 0.00 C ATOM 652 CH2 TRP A 350 1.537 9.507 5.374 1.00 0.00 C ATOM 0 H TRP A 350 -0.435 2.940 4.667 1.00 0.00 H new ATOM 0 HA TRP A 350 -2.511 4.390 3.164 1.00 0.00 H new ATOM 0 HB2 TRP A 350 0.512 4.800 3.218 1.00 0.00 H new ATOM 0 HB3 TRP A 350 -0.506 5.460 1.954 1.00 0.00 H new ATOM 0 HD1 TRP A 350 -2.896 6.268 4.231 1.00 0.00 H new ATOM 0 HE1 TRP A 350 -2.527 8.460 5.557 1.00 0.00 H new ATOM 0 HE3 TRP A 350 2.126 6.744 3.483 1.00 0.00 H new ATOM 0 HZ2 TRP A 350 -0.346 10.137 6.170 1.00 0.00 H new ATOM 0 HZ3 TRP A 350 3.295 8.667 4.471 1.00 0.00 H new ATOM 0 HH2 TRP A 350 2.076 10.343 5.796 1.00 0.00 H new ATOM 663 N LYS A 351 -1.722 3.417 0.906 1.00 0.00 N ATOM 664 CA LYS A 351 -1.571 2.619 -0.298 1.00 0.00 C ATOM 665 C LYS A 351 -0.444 3.237 -1.107 1.00 0.00 C ATOM 666 O LYS A 351 -0.280 4.459 -1.100 1.00 0.00 O ATOM 667 CB LYS A 351 -2.878 2.586 -1.099 1.00 0.00 C ATOM 668 CG LYS A 351 -2.992 3.670 -2.161 1.00 0.00 C ATOM 669 CD LYS A 351 -2.576 3.154 -3.528 1.00 0.00 C ATOM 670 CE LYS A 351 -3.675 2.315 -4.164 1.00 0.00 C ATOM 671 NZ LYS A 351 -3.643 0.902 -3.691 1.00 0.00 N ATOM 0 H LYS A 351 -2.189 4.311 0.754 1.00 0.00 H new ATOM 0 HA LYS A 351 -1.334 1.585 -0.048 1.00 0.00 H new ATOM 0 HB2 LYS A 351 -2.971 1.612 -1.580 1.00 0.00 H new ATOM 0 HB3 LYS A 351 -3.716 2.682 -0.408 1.00 0.00 H new ATOM 0 HG2 LYS A 351 -4.019 4.032 -2.204 1.00 0.00 H new ATOM 0 HG3 LYS A 351 -2.366 4.519 -1.885 1.00 0.00 H new ATOM 0 HD2 LYS A 351 -2.336 3.995 -4.178 1.00 0.00 H new ATOM 0 HD3 LYS A 351 -1.669 2.556 -3.432 1.00 0.00 H new ATOM 0 HE2 LYS A 351 -4.646 2.753 -3.932 1.00 0.00 H new ATOM 0 HE3 LYS A 351 -3.566 2.337 -5.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 351 -3.921 0.269 -4.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 351 -2.681 0.663 -3.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 351 -4.304 0.787 -2.897 1.00 0.00 H new ATOM 685 N VAL A 352 0.369 2.421 -1.757 1.00 0.00 N ATOM 686 CA VAL A 352 1.494 2.972 -2.490 1.00 0.00 C ATOM 687 C VAL A 352 1.939 2.133 -3.678 1.00 0.00 C ATOM 688 O VAL A 352 1.888 0.904 -3.655 1.00 0.00 O ATOM 689 CB VAL A 352 2.700 3.120 -1.550 1.00 0.00 C ATOM 690 CG1 VAL A 352 3.134 1.759 -1.029 1.00 0.00 C ATOM 691 CG2 VAL A 352 3.841 3.813 -2.255 1.00 0.00 C ATOM 0 H VAL A 352 0.276 1.406 -1.793 1.00 0.00 H new ATOM 0 HA VAL A 352 1.147 3.931 -2.876 1.00 0.00 H new ATOM 0 HB VAL A 352 2.404 3.735 -0.700 1.00 0.00 H new ATOM 0 HG11 VAL A 352 3.989 1.880 -0.364 1.00 0.00 H new ATOM 0 HG12 VAL A 352 2.311 1.300 -0.481 1.00 0.00 H new ATOM 0 HG13 VAL A 352 3.413 1.121 -1.867 1.00 0.00 H new ATOM 0 HG21 VAL A 352 4.686 3.909 -1.573 1.00 0.00 H new ATOM 0 HG22 VAL A 352 4.141 3.228 -3.124 1.00 0.00 H new ATOM 0 HG23 VAL A 352 3.521 4.804 -2.578 1.00 0.00 H new ATOM 701 N ARG A 353 2.439 2.832 -4.690 1.00 0.00 N ATOM 702 CA ARG A 353 2.979 2.208 -5.880 1.00 0.00 C ATOM 703 C ARG A 353 4.473 2.522 -5.943 1.00 0.00 C ATOM 704 O ARG A 353 4.868 3.690 -5.900 1.00 0.00 O ATOM 705 CB ARG A 353 2.270 2.729 -7.126 1.00 0.00 C ATOM 706 CG ARG A 353 0.762 2.614 -7.052 1.00 0.00 C ATOM 707 CD ARG A 353 0.094 3.182 -8.293 1.00 0.00 C ATOM 708 NE ARG A 353 -1.331 2.865 -8.336 1.00 0.00 N ATOM 709 CZ ARG A 353 -2.290 3.779 -8.457 1.00 0.00 C ATOM 710 NH1 ARG A 353 -1.979 5.067 -8.540 1.00 0.00 N ATOM 711 NH2 ARG A 353 -3.562 3.404 -8.492 1.00 0.00 N ATOM 0 H ARG A 353 2.479 3.851 -4.703 1.00 0.00 H new ATOM 0 HA ARG A 353 2.825 1.130 -5.840 1.00 0.00 H new ATOM 0 HB2 ARG A 353 2.540 3.774 -7.279 1.00 0.00 H new ATOM 0 HB3 ARG A 353 2.627 2.177 -7.996 1.00 0.00 H new ATOM 0 HG2 ARG A 353 0.482 1.567 -6.935 1.00 0.00 H new ATOM 0 HG3 ARG A 353 0.400 3.142 -6.170 1.00 0.00 H new ATOM 0 HD2 ARG A 353 0.226 4.264 -8.314 1.00 0.00 H new ATOM 0 HD3 ARG A 353 0.582 2.784 -9.183 1.00 0.00 H new ATOM 0 HE ARG A 353 -1.607 1.885 -8.269 1.00 0.00 H new ATOM 0 HH11 ARG A 353 -1.002 5.359 -8.511 1.00 0.00 H new ATOM 0 HH12 ARG A 353 -2.717 5.765 -8.633 1.00 0.00 H new ATOM 0 HH21 ARG A 353 -3.804 2.415 -8.426 1.00 0.00 H new ATOM 0 HH22 ARG A 353 -4.298 4.104 -8.585 1.00 0.00 H new ATOM 725 N THR A 354 5.306 1.490 -6.013 1.00 0.00 N ATOM 726 CA THR A 354 6.755 1.688 -6.047 1.00 0.00 C ATOM 727 C THR A 354 7.305 1.490 -7.447 1.00 0.00 C ATOM 728 O THR A 354 6.933 0.544 -8.142 1.00 0.00 O ATOM 729 CB THR A 354 7.485 0.734 -5.080 1.00 0.00 C ATOM 730 OG1 THR A 354 7.950 -0.424 -5.784 1.00 0.00 O ATOM 731 CG2 THR A 354 6.570 0.313 -3.941 1.00 0.00 C ATOM 0 H THR A 354 5.009 0.515 -6.047 1.00 0.00 H new ATOM 0 HA THR A 354 6.935 2.715 -5.730 1.00 0.00 H new ATOM 0 HB THR A 354 8.339 1.265 -4.660 1.00 0.00 H new ATOM 0 HG1 THR A 354 8.413 -1.022 -5.161 1.00 0.00 H new ATOM 0 HG21 THR A 354 7.107 -0.360 -3.272 1.00 0.00 H new ATOM 0 HG22 THR A 354 6.249 1.195 -3.387 1.00 0.00 H new ATOM 0 HG23 THR A 354 5.697 -0.199 -4.346 1.00 0.00 H new ATOM 739 N LYS A 355 8.190 2.398 -7.858 1.00 0.00 N ATOM 740 CA LYS A 355 8.787 2.337 -9.184 1.00 0.00 C ATOM 741 C LYS A 355 7.707 2.130 -10.235 1.00 0.00 C ATOM 742 O LYS A 355 7.957 1.582 -11.309 1.00 0.00 O ATOM 743 CB LYS A 355 9.821 1.217 -9.238 1.00 0.00 C ATOM 744 CG LYS A 355 10.745 1.220 -8.035 1.00 0.00 C ATOM 745 CD LYS A 355 11.082 -0.192 -7.583 1.00 0.00 C ATOM 746 CE LYS A 355 11.646 -0.202 -6.172 1.00 0.00 C ATOM 747 NZ LYS A 355 12.142 -1.551 -5.783 1.00 0.00 N ATOM 0 H LYS A 355 8.507 3.183 -7.289 1.00 0.00 H new ATOM 0 HA LYS A 355 9.291 3.280 -9.394 1.00 0.00 H new ATOM 0 HB2 LYS A 355 9.309 0.257 -9.296 1.00 0.00 H new ATOM 0 HB3 LYS A 355 10.414 1.318 -10.147 1.00 0.00 H new ATOM 0 HG2 LYS A 355 11.664 1.752 -8.283 1.00 0.00 H new ATOM 0 HG3 LYS A 355 10.274 1.762 -7.215 1.00 0.00 H new ATOM 0 HD2 LYS A 355 10.186 -0.812 -7.623 1.00 0.00 H new ATOM 0 HD3 LYS A 355 11.806 -0.632 -8.269 1.00 0.00 H new ATOM 0 HE2 LYS A 355 12.461 0.519 -6.101 1.00 0.00 H new ATOM 0 HE3 LYS A 355 10.875 0.118 -5.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 355 12.519 -1.516 -4.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 355 11.359 -2.234 -5.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 355 12.895 -1.846 -6.437 1.00 0.00 H new ATOM 761 N ASN A 356 6.495 2.571 -9.898 1.00 0.00 N ATOM 762 CA ASN A 356 5.346 2.441 -10.785 1.00 0.00 C ATOM 763 C ASN A 356 5.061 0.973 -11.081 1.00 0.00 C ATOM 764 O ASN A 356 4.910 0.580 -12.238 1.00 0.00 O ATOM 765 CB ASN A 356 5.583 3.207 -12.091 1.00 0.00 C ATOM 766 CG ASN A 356 6.403 4.467 -11.883 1.00 0.00 C ATOM 767 OD1 ASN A 356 7.461 4.639 -12.488 1.00 0.00 O ATOM 768 ND2 ASN A 356 5.916 5.355 -11.023 1.00 0.00 N ATOM 0 H ASN A 356 6.286 3.025 -9.009 1.00 0.00 H new ATOM 0 HA ASN A 356 4.479 2.870 -10.283 1.00 0.00 H new ATOM 0 HB2 ASN A 356 6.094 2.558 -12.802 1.00 0.00 H new ATOM 0 HB3 ASN A 356 4.622 3.471 -12.533 1.00 0.00 H new ATOM 0 HD21 ASN A 356 6.423 6.221 -10.842 1.00 0.00 H new ATOM 0 HD22 ASN A 356 5.035 5.171 -10.544 1.00 0.00 H new ATOM 775 N GLY A 357 4.989 0.164 -10.026 1.00 0.00 N ATOM 776 CA GLY A 357 4.725 -1.251 -10.204 1.00 0.00 C ATOM 777 C GLY A 357 4.235 -1.940 -8.943 1.00 0.00 C ATOM 778 O GLY A 357 3.241 -2.665 -8.984 1.00 0.00 O ATOM 0 H GLY A 357 5.108 0.462 -9.058 1.00 0.00 H new ATOM 0 HA2 GLY A 357 3.980 -1.377 -10.990 1.00 0.00 H new ATOM 0 HA3 GLY A 357 5.636 -1.742 -10.546 1.00 0.00 H new ATOM 782 N ASN A 358 4.919 -1.724 -7.820 1.00 0.00 N ATOM 783 CA ASN A 358 4.512 -2.349 -6.568 1.00 0.00 C ATOM 784 C ASN A 358 3.344 -1.588 -5.959 1.00 0.00 C ATOM 785 O ASN A 358 3.533 -0.682 -5.148 1.00 0.00 O ATOM 786 CB ASN A 358 5.681 -2.403 -5.587 1.00 0.00 C ATOM 787 CG ASN A 358 6.421 -3.726 -5.635 1.00 0.00 C ATOM 788 OD1 ASN A 358 6.210 -4.539 -6.534 1.00 0.00 O ATOM 789 ND2 ASN A 358 7.297 -3.946 -4.660 1.00 0.00 N ATOM 0 H ASN A 358 5.745 -1.130 -7.753 1.00 0.00 H new ATOM 0 HA ASN A 358 4.195 -3.371 -6.778 1.00 0.00 H new ATOM 0 HB2 ASN A 358 6.376 -1.594 -5.811 1.00 0.00 H new ATOM 0 HB3 ASN A 358 5.310 -2.235 -4.576 1.00 0.00 H new ATOM 0 HD21 ASN A 358 7.826 -4.818 -4.637 1.00 0.00 H new ATOM 0 HD22 ASN A 358 7.440 -3.243 -3.935 1.00 0.00 H new ATOM 796 N ILE A 359 2.136 -1.954 -6.372 1.00 0.00 N ATOM 797 CA ILE A 359 0.932 -1.297 -5.887 1.00 0.00 C ATOM 798 C ILE A 359 0.293 -2.063 -4.732 1.00 0.00 C ATOM 799 O ILE A 359 -0.506 -2.975 -4.943 1.00 0.00 O ATOM 800 CB ILE A 359 -0.101 -1.131 -7.016 1.00 0.00 C ATOM 801 CG1 ILE A 359 0.597 -0.716 -8.314 1.00 0.00 C ATOM 802 CG2 ILE A 359 -1.145 -0.101 -6.623 1.00 0.00 C ATOM 803 CD1 ILE A 359 -0.188 -1.062 -9.561 1.00 0.00 C ATOM 0 H ILE A 359 1.966 -2.704 -7.043 1.00 0.00 H new ATOM 0 HA ILE A 359 1.237 -0.314 -5.527 1.00 0.00 H new ATOM 0 HB ILE A 359 -0.600 -2.086 -7.180 1.00 0.00 H new ATOM 0 HG12 ILE A 359 0.775 0.359 -8.293 1.00 0.00 H new ATOM 0 HG13 ILE A 359 1.573 -1.200 -8.363 1.00 0.00 H new ATOM 0 HG21 ILE A 359 -1.870 0.008 -7.429 1.00 0.00 H new ATOM 0 HG22 ILE A 359 -1.656 -0.428 -5.717 1.00 0.00 H new ATOM 0 HG23 ILE A 359 -0.659 0.858 -6.440 1.00 0.00 H new ATOM 0 HD11 ILE A 359 0.367 -0.739 -10.442 1.00 0.00 H new ATOM 0 HD12 ILE A 359 -0.344 -2.140 -9.606 1.00 0.00 H new ATOM 0 HD13 ILE A 359 -1.154 -0.557 -9.535 1.00 0.00 H new ATOM 815 N GLY A 360 0.647 -1.673 -3.512 1.00 0.00 N ATOM 816 CA GLY A 360 0.100 -2.312 -2.329 1.00 0.00 C ATOM 817 C GLY A 360 -0.182 -1.310 -1.228 1.00 0.00 C ATOM 818 O GLY A 360 -0.701 -0.227 -1.493 1.00 0.00 O ATOM 0 H GLY A 360 1.308 -0.920 -3.321 1.00 0.00 H new ATOM 0 HA2 GLY A 360 -0.821 -2.834 -2.590 1.00 0.00 H new ATOM 0 HA3 GLY A 360 0.800 -3.064 -1.965 1.00 0.00 H new ATOM 822 N TYR A 361 0.167 -1.659 0.006 1.00 0.00 N ATOM 823 CA TYR A 361 -0.049 -0.758 1.134 1.00 0.00 C ATOM 824 C TYR A 361 1.187 -0.702 2.023 1.00 0.00 C ATOM 825 O TYR A 361 2.132 -1.469 1.838 1.00 0.00 O ATOM 826 CB TYR A 361 -1.266 -1.189 1.956 1.00 0.00 C ATOM 827 CG TYR A 361 -2.580 -1.070 1.218 1.00 0.00 C ATOM 828 CD1 TYR A 361 -3.018 -2.080 0.370 1.00 0.00 C ATOM 829 CD2 TYR A 361 -3.384 0.053 1.371 1.00 0.00 C ATOM 830 CE1 TYR A 361 -4.220 -1.974 -0.303 1.00 0.00 C ATOM 831 CE2 TYR A 361 -4.586 0.166 0.701 1.00 0.00 C ATOM 832 CZ TYR A 361 -5.000 -0.850 -0.135 1.00 0.00 C ATOM 833 OH TYR A 361 -6.198 -0.742 -0.803 1.00 0.00 O ATOM 0 H TYR A 361 0.597 -2.551 0.250 1.00 0.00 H new ATOM 0 HA TYR A 361 -0.238 0.237 0.732 1.00 0.00 H new ATOM 0 HB2 TYR A 361 -1.131 -2.224 2.271 1.00 0.00 H new ATOM 0 HB3 TYR A 361 -1.313 -0.583 2.861 1.00 0.00 H new ATOM 0 HD1 TYR A 361 -2.409 -2.962 0.235 1.00 0.00 H new ATOM 0 HD2 TYR A 361 -3.063 0.851 2.025 1.00 0.00 H new ATOM 0 HE1 TYR A 361 -4.547 -2.768 -0.958 1.00 0.00 H new ATOM 0 HE2 TYR A 361 -5.199 1.046 0.831 1.00 0.00 H new ATOM 0 HH TYR A 361 -6.625 0.110 -0.574 1.00 0.00 H new ATOM 843 N ILE A 362 1.174 0.208 2.991 1.00 0.00 N ATOM 844 CA ILE A 362 2.293 0.360 3.909 1.00 0.00 C ATOM 845 C ILE A 362 1.914 1.210 5.117 1.00 0.00 C ATOM 846 O ILE A 362 1.544 2.376 4.975 1.00 0.00 O ATOM 847 CB ILE A 362 3.515 1.010 3.227 1.00 0.00 C ATOM 848 CG1 ILE A 362 4.503 1.516 4.286 1.00 0.00 C ATOM 849 CG2 ILE A 362 3.075 2.151 2.323 1.00 0.00 C ATOM 850 CD1 ILE A 362 5.935 1.113 4.028 1.00 0.00 C ATOM 0 H ILE A 362 0.400 0.851 3.159 1.00 0.00 H new ATOM 0 HA ILE A 362 2.553 -0.648 4.233 1.00 0.00 H new ATOM 0 HB ILE A 362 4.013 0.259 2.614 1.00 0.00 H new ATOM 0 HG12 ILE A 362 4.445 2.603 4.333 1.00 0.00 H new ATOM 0 HG13 ILE A 362 4.200 1.138 5.262 1.00 0.00 H new ATOM 0 HG21 ILE A 362 3.949 2.598 1.850 1.00 0.00 H new ATOM 0 HG22 ILE A 362 2.403 1.768 1.555 1.00 0.00 H new ATOM 0 HG23 ILE A 362 2.557 2.905 2.915 1.00 0.00 H new ATOM 0 HD11 ILE A 362 6.572 1.508 4.819 1.00 0.00 H new ATOM 0 HD12 ILE A 362 6.010 0.026 4.011 1.00 0.00 H new ATOM 0 HD13 ILE A 362 6.258 1.514 3.067 1.00 0.00 H new ATOM 862 N PRO A 363 2.037 0.640 6.328 1.00 0.00 N ATOM 863 CA PRO A 363 1.747 1.348 7.572 1.00 0.00 C ATOM 864 C PRO A 363 2.372 2.737 7.562 1.00 0.00 C ATOM 865 O PRO A 363 3.544 2.884 7.213 1.00 0.00 O ATOM 866 CB PRO A 363 2.414 0.475 8.653 1.00 0.00 C ATOM 867 CG PRO A 363 3.139 -0.618 7.924 1.00 0.00 C ATOM 868 CD PRO A 363 2.493 -0.728 6.578 1.00 0.00 C ATOM 0 HA PRO A 363 0.678 1.491 7.733 1.00 0.00 H new ATOM 0 HB2 PRO A 363 3.104 1.064 9.257 1.00 0.00 H new ATOM 0 HB3 PRO A 363 1.669 0.061 9.333 1.00 0.00 H new ATOM 0 HG2 PRO A 363 4.199 -0.384 7.828 1.00 0.00 H new ATOM 0 HG3 PRO A 363 3.068 -1.560 8.467 1.00 0.00 H new ATOM 0 HD2 PRO A 363 3.197 -1.066 5.817 1.00 0.00 H new ATOM 0 HD3 PRO A 363 1.665 -1.437 6.583 1.00 0.00 H new ATOM 876 N TYR A 364 1.604 3.762 7.926 1.00 0.00 N ATOM 877 CA TYR A 364 2.151 5.120 7.923 1.00 0.00 C ATOM 878 C TYR A 364 3.130 5.304 9.083 1.00 0.00 C ATOM 879 O TYR A 364 2.744 5.637 10.203 1.00 0.00 O ATOM 880 CB TYR A 364 1.026 6.171 7.949 1.00 0.00 C ATOM 881 CG TYR A 364 1.403 7.504 8.574 1.00 0.00 C ATOM 882 CD1 TYR A 364 2.548 8.189 8.183 1.00 0.00 C ATOM 883 CD2 TYR A 364 0.604 8.076 9.558 1.00 0.00 C ATOM 884 CE1 TYR A 364 2.885 9.402 8.754 1.00 0.00 C ATOM 885 CE2 TYR A 364 0.934 9.288 10.133 1.00 0.00 C ATOM 886 CZ TYR A 364 2.076 9.947 9.728 1.00 0.00 C ATOM 887 OH TYR A 364 2.407 11.154 10.299 1.00 0.00 O ATOM 0 H TYR A 364 0.630 3.686 8.219 1.00 0.00 H new ATOM 0 HA TYR A 364 2.704 5.269 6.996 1.00 0.00 H new ATOM 0 HB2 TYR A 364 0.692 6.348 6.927 1.00 0.00 H new ATOM 0 HB3 TYR A 364 0.177 5.759 8.495 1.00 0.00 H new ATOM 0 HD1 TYR A 364 3.185 7.766 7.420 1.00 0.00 H new ATOM 0 HD2 TYR A 364 -0.291 7.563 9.879 1.00 0.00 H new ATOM 0 HE1 TYR A 364 3.778 9.920 8.438 1.00 0.00 H new ATOM 0 HE2 TYR A 364 0.301 9.717 10.896 1.00 0.00 H new ATOM 0 HH TYR A 364 1.732 11.396 10.966 1.00 0.00 H new ATOM 897 N ASN A 365 4.408 5.072 8.788 1.00 0.00 N ATOM 898 CA ASN A 365 5.476 5.195 9.776 1.00 0.00 C ATOM 899 C ASN A 365 6.803 4.731 9.186 1.00 0.00 C ATOM 900 O ASN A 365 7.858 5.287 9.490 1.00 0.00 O ATOM 901 CB ASN A 365 5.157 4.373 11.029 1.00 0.00 C ATOM 902 CG ASN A 365 5.245 5.196 12.300 1.00 0.00 C ATOM 903 OD1 ASN A 365 6.331 5.422 12.833 1.00 0.00 O ATOM 904 ND2 ASN A 365 4.098 5.651 12.792 1.00 0.00 N ATOM 0 H ASN A 365 4.730 4.795 7.861 1.00 0.00 H new ATOM 0 HA ASN A 365 5.555 6.246 10.055 1.00 0.00 H new ATOM 0 HB2 ASN A 365 4.155 3.954 10.940 1.00 0.00 H new ATOM 0 HB3 ASN A 365 5.849 3.533 11.095 1.00 0.00 H new ATOM 0 HD21 ASN A 365 4.095 6.212 13.644 1.00 0.00 H new ATOM 0 HD22 ASN A 365 3.220 5.440 12.318 1.00 0.00 H new ATOM 911 N TYR A 366 6.741 3.703 8.342 1.00 0.00 N ATOM 912 CA TYR A 366 7.933 3.153 7.709 1.00 0.00 C ATOM 913 C TYR A 366 8.339 3.970 6.487 1.00 0.00 C ATOM 914 O TYR A 366 9.456 3.835 5.986 1.00 0.00 O ATOM 915 CB TYR A 366 7.685 1.701 7.293 1.00 0.00 C ATOM 916 CG TYR A 366 7.733 0.718 8.440 1.00 0.00 C ATOM 917 CD1 TYR A 366 6.773 0.744 9.443 1.00 0.00 C ATOM 918 CD2 TYR A 366 8.740 -0.235 8.519 1.00 0.00 C ATOM 919 CE1 TYR A 366 6.815 -0.154 10.495 1.00 0.00 C ATOM 920 CE2 TYR A 366 8.789 -1.137 9.565 1.00 0.00 C ATOM 921 CZ TYR A 366 7.824 -1.091 10.551 1.00 0.00 C ATOM 922 OH TYR A 366 7.869 -1.987 11.594 1.00 0.00 O ATOM 0 H TYR A 366 5.873 3.234 8.081 1.00 0.00 H new ATOM 0 HA TYR A 366 8.745 3.193 8.435 1.00 0.00 H new ATOM 0 HB2 TYR A 366 6.710 1.633 6.810 1.00 0.00 H new ATOM 0 HB3 TYR A 366 8.429 1.414 6.550 1.00 0.00 H new ATOM 0 HD1 TYR A 366 5.981 1.477 9.401 1.00 0.00 H new ATOM 0 HD2 TYR A 366 9.498 -0.272 7.750 1.00 0.00 H new ATOM 0 HE1 TYR A 366 6.061 -0.121 11.268 1.00 0.00 H new ATOM 0 HE2 TYR A 366 9.578 -1.873 9.611 1.00 0.00 H new ATOM 0 HH TYR A 366 8.641 -2.580 11.483 1.00 0.00 H new ATOM 932 N ILE A 367 7.426 4.807 6.000 1.00 0.00 N ATOM 933 CA ILE A 367 7.703 5.626 4.826 1.00 0.00 C ATOM 934 C ILE A 367 7.736 7.113 5.152 1.00 0.00 C ATOM 935 O ILE A 367 6.942 7.610 5.950 1.00 0.00 O ATOM 936 CB ILE A 367 6.671 5.386 3.712 1.00 0.00 C ATOM 937 CG1 ILE A 367 5.257 5.279 4.294 1.00 0.00 C ATOM 938 CG2 ILE A 367 7.030 4.132 2.934 1.00 0.00 C ATOM 939 CD1 ILE A 367 4.163 5.364 3.250 1.00 0.00 C ATOM 0 H ILE A 367 6.495 4.935 6.397 1.00 0.00 H new ATOM 0 HA ILE A 367 8.691 5.322 4.479 1.00 0.00 H new ATOM 0 HB ILE A 367 6.688 6.237 3.031 1.00 0.00 H new ATOM 0 HG12 ILE A 367 5.164 4.334 4.829 1.00 0.00 H new ATOM 0 HG13 ILE A 367 5.113 6.075 5.025 1.00 0.00 H new ATOM 0 HG21 ILE A 367 6.294 3.969 2.147 1.00 0.00 H new ATOM 0 HG22 ILE A 367 8.018 4.251 2.488 1.00 0.00 H new ATOM 0 HG23 ILE A 367 7.036 3.275 3.608 1.00 0.00 H new ATOM 0 HD11 ILE A 367 3.190 5.281 3.735 1.00 0.00 H new ATOM 0 HD12 ILE A 367 4.229 6.320 2.731 1.00 0.00 H new ATOM 0 HD13 ILE A 367 4.281 4.552 2.532 1.00 0.00 H new ATOM 951 N GLU A 368 8.668 7.813 4.514 1.00 0.00 N ATOM 952 CA GLU A 368 8.834 9.246 4.704 1.00 0.00 C ATOM 953 C GLU A 368 7.859 10.022 3.820 1.00 0.00 C ATOM 954 O GLU A 368 7.475 9.554 2.749 1.00 0.00 O ATOM 955 CB GLU A 368 10.274 9.645 4.372 1.00 0.00 C ATOM 956 CG GLU A 368 10.506 11.145 4.333 1.00 0.00 C ATOM 957 CD GLU A 368 10.655 11.675 2.922 1.00 0.00 C ATOM 958 OE1 GLU A 368 9.638 11.741 2.201 1.00 0.00 O ATOM 959 OE2 GLU A 368 11.791 12.025 2.537 1.00 0.00 O ATOM 0 H GLU A 368 9.327 7.402 3.853 1.00 0.00 H new ATOM 0 HA GLU A 368 8.622 9.489 5.745 1.00 0.00 H new ATOM 0 HB2 GLU A 368 10.942 9.204 5.111 1.00 0.00 H new ATOM 0 HB3 GLU A 368 10.544 9.221 3.405 1.00 0.00 H new ATOM 0 HG2 GLU A 368 9.673 11.651 4.821 1.00 0.00 H new ATOM 0 HG3 GLU A 368 11.403 11.385 4.904 1.00 0.00 H new ATOM 966 N ILE A 369 7.467 11.212 4.270 1.00 0.00 N ATOM 967 CA ILE A 369 6.545 12.051 3.511 1.00 0.00 C ATOM 968 C ILE A 369 7.253 13.304 2.997 1.00 0.00 C ATOM 969 O ILE A 369 7.880 14.029 3.768 1.00 0.00 O ATOM 970 CB ILE A 369 5.332 12.478 4.367 1.00 0.00 C ATOM 971 CG1 ILE A 369 4.520 11.253 4.800 1.00 0.00 C ATOM 972 CG2 ILE A 369 4.452 13.452 3.596 1.00 0.00 C ATOM 973 CD1 ILE A 369 5.054 10.580 6.047 1.00 0.00 C ATOM 0 H ILE A 369 7.773 11.616 5.155 1.00 0.00 H new ATOM 0 HA ILE A 369 6.191 11.456 2.669 1.00 0.00 H new ATOM 0 HB ILE A 369 5.703 12.979 5.261 1.00 0.00 H new ATOM 0 HG12 ILE A 369 3.487 11.555 4.975 1.00 0.00 H new ATOM 0 HG13 ILE A 369 4.507 10.530 3.985 1.00 0.00 H new ATOM 0 HG21 ILE A 369 3.602 13.742 4.214 1.00 0.00 H new ATOM 0 HG22 ILE A 369 5.031 14.338 3.336 1.00 0.00 H new ATOM 0 HG23 ILE A 369 4.092 12.974 2.685 1.00 0.00 H new ATOM 0 HD11 ILE A 369 4.429 9.721 6.293 1.00 0.00 H new ATOM 0 HD12 ILE A 369 6.076 10.246 5.871 1.00 0.00 H new ATOM 0 HD13 ILE A 369 5.041 11.287 6.876 1.00 0.00 H new ATOM 985 N ILE A 370 7.150 13.555 1.693 1.00 0.00 N ATOM 986 CA ILE A 370 7.787 14.726 1.093 1.00 0.00 C ATOM 987 C ILE A 370 6.750 15.700 0.546 1.00 0.00 C ATOM 988 O ILE A 370 6.308 15.508 -0.606 1.00 0.00 O ATOM 989 CB ILE A 370 8.760 14.340 -0.039 1.00 0.00 C ATOM 990 CG1 ILE A 370 8.542 12.874 -0.432 1.00 0.00 C ATOM 991 CG2 ILE A 370 10.199 14.603 0.394 1.00 0.00 C ATOM 992 CD1 ILE A 370 9.797 12.121 -0.834 1.00 0.00 C ATOM 993 OXT ILE A 370 6.386 16.646 1.276 1.00 0.00 O ATOM 0 H ILE A 370 6.636 12.968 1.036 1.00 0.00 H new ATOM 0 HA ILE A 370 8.353 15.208 1.890 1.00 0.00 H new ATOM 0 HB ILE A 370 8.564 14.955 -0.917 1.00 0.00 H new ATOM 0 HG12 ILE A 370 8.078 12.354 0.407 1.00 0.00 H new ATOM 0 HG13 ILE A 370 7.834 12.838 -1.260 1.00 0.00 H new ATOM 0 HG21 ILE A 370 10.878 14.327 -0.413 1.00 0.00 H new ATOM 0 HG22 ILE A 370 10.322 15.661 0.625 1.00 0.00 H new ATOM 0 HG23 ILE A 370 10.427 14.009 1.279 1.00 0.00 H new ATOM 0 HD11 ILE A 370 9.538 11.095 -1.094 1.00 0.00 H new ATOM 0 HD12 ILE A 370 10.254 12.609 -1.695 1.00 0.00 H new ATOM 0 HD13 ILE A 370 10.502 12.118 -0.002 1.00 0.00 H new