USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 710 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 41 ASN : amide:sc= -0.393 X(o=-2.6,f=-2.1!) USER MOD Set 1.2: A 44 ASN : amide:sc= -2.17! C(o=-2.6!,f=-6.1!) USER MOD Single : A 7 LYS NZ :NH3+ 173:sc= 0.802 (180deg=0.73) USER MOD Single : A 9 LYS NZ :NH3+ -169:sc= 0.643 (180deg=0.483) USER MOD Single : A 13 TYR OH : rot 151:sc= 0 USER MOD Single : A 15 MET CE :methyl 158:sc= -0.18 (180deg=-1.54) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot -150:sc= -0.229 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 137:sc= -0.67 (180deg=-2.91!) USER MOD Single : A 47 LYS NZ :NH3+ 173:sc= -0.772 (180deg=-0.792) USER MOD Single : A 49 MET CE :methyl -133:sc= -0.487 (180deg=-2.51!) USER MOD Single : A 51 TYR OH : rot 124:sc= 0.258 USER MOD Single : A 56 MET CE :methyl 176:sc= -0.706 (180deg=-0.71) USER MOD Single : A 59 SER OG : rot 180:sc=-0.000114 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -3.46! C(o=-3.5!,f=-5.1!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0.196 K(o=0.2,f=-0.6) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 169:sc= 0.0855 USER MOD Single : A 82 GLN : amide:sc= 0.00542 X(o=0.0054,f=-0.17) USER MOD Single : A 84 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0122) USER MOD Single : A 87 SER OG : rot 79:sc= 0.659 USER MOD ----------------------------------------------------------------- ATOM 39 N GLU A 4 12.123 1.710 0.409 1.00 0.00 N ATOM 40 CA GLU A 4 11.774 1.176 1.741 1.00 0.00 C ATOM 41 C GLU A 4 10.718 2.063 2.411 1.00 0.00 C ATOM 42 O GLU A 4 9.775 1.553 3.017 1.00 0.00 O ATOM 43 CB GLU A 4 13.039 1.064 2.631 1.00 0.00 C ATOM 44 CG GLU A 4 14.283 0.502 1.916 1.00 0.00 C ATOM 45 CD GLU A 4 14.044 -0.880 1.286 1.00 0.00 C ATOM 46 OE1 GLU A 4 13.674 -1.822 2.019 1.00 0.00 O ATOM 47 OE2 GLU A 4 14.197 -1.033 0.056 1.00 0.00 O ATOM 0 HA GLU A 4 11.356 0.177 1.616 1.00 0.00 H new ATOM 0 HB2 GLU A 4 13.278 2.052 3.024 1.00 0.00 H new ATOM 0 HB3 GLU A 4 12.810 0.428 3.486 1.00 0.00 H new ATOM 0 HG2 GLU A 4 14.594 1.200 1.139 1.00 0.00 H new ATOM 0 HG3 GLU A 4 15.104 0.432 2.629 1.00 0.00 H new ATOM 54 N GLU A 5 10.905 3.395 2.271 1.00 0.00 N ATOM 55 CA GLU A 5 10.016 4.429 2.853 1.00 0.00 C ATOM 56 C GLU A 5 8.551 4.225 2.449 1.00 0.00 C ATOM 57 O GLU A 5 7.670 4.302 3.299 1.00 0.00 O ATOM 58 CB GLU A 5 10.482 5.849 2.433 1.00 0.00 C ATOM 59 CG GLU A 5 11.742 6.359 3.148 1.00 0.00 C ATOM 60 CD GLU A 5 11.487 6.643 4.636 1.00 0.00 C ATOM 61 OE1 GLU A 5 10.977 7.738 4.954 1.00 0.00 O ATOM 62 OE2 GLU A 5 11.778 5.778 5.489 1.00 0.00 O ATOM 0 H GLU A 5 11.686 3.788 1.745 1.00 0.00 H new ATOM 0 HA GLU A 5 10.081 4.330 3.937 1.00 0.00 H new ATOM 0 HB2 GLU A 5 10.667 5.851 1.359 1.00 0.00 H new ATOM 0 HB3 GLU A 5 9.669 6.551 2.618 1.00 0.00 H new ATOM 0 HG2 GLU A 5 12.537 5.620 3.052 1.00 0.00 H new ATOM 0 HG3 GLU A 5 12.092 7.269 2.660 1.00 0.00 H new ATOM 69 N VAL A 6 8.307 3.965 1.145 1.00 0.00 N ATOM 70 CA VAL A 6 6.948 3.692 0.619 1.00 0.00 C ATOM 71 C VAL A 6 6.296 2.521 1.384 1.00 0.00 C ATOM 72 O VAL A 6 5.180 2.655 1.888 1.00 0.00 O ATOM 73 CB VAL A 6 6.936 3.433 -0.954 1.00 0.00 C ATOM 74 CG1 VAL A 6 8.060 2.474 -1.392 1.00 0.00 C ATOM 75 CG2 VAL A 6 5.550 2.922 -1.453 1.00 0.00 C ATOM 0 H VAL A 6 9.037 3.938 0.433 1.00 0.00 H new ATOM 0 HA VAL A 6 6.354 4.591 0.785 1.00 0.00 H new ATOM 0 HB VAL A 6 7.122 4.399 -1.423 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.013 2.327 -2.471 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.027 2.901 -1.126 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.936 1.515 -0.889 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.588 2.759 -2.530 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.306 1.985 -0.953 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.785 3.664 -1.225 1.00 0.00 H new ATOM 85 N LYS A 7 7.047 1.430 1.536 1.00 0.00 N ATOM 86 CA LYS A 7 6.556 0.183 2.147 1.00 0.00 C ATOM 87 C LYS A 7 6.213 0.368 3.632 1.00 0.00 C ATOM 88 O LYS A 7 5.122 -0.008 4.080 1.00 0.00 O ATOM 89 CB LYS A 7 7.637 -0.916 2.005 1.00 0.00 C ATOM 90 CG LYS A 7 8.022 -1.229 0.552 1.00 0.00 C ATOM 91 CD LYS A 7 9.034 -2.382 0.426 1.00 0.00 C ATOM 92 CE LYS A 7 10.288 -2.171 1.291 1.00 0.00 C ATOM 93 NZ LYS A 7 11.258 -3.280 1.157 1.00 0.00 N ATOM 0 H LYS A 7 8.021 1.381 1.238 1.00 0.00 H new ATOM 0 HA LYS A 7 5.643 -0.107 1.627 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.530 -0.605 2.548 1.00 0.00 H new ATOM 0 HB3 LYS A 7 7.277 -1.829 2.479 1.00 0.00 H new ATOM 0 HG2 LYS A 7 7.122 -1.482 -0.009 1.00 0.00 H new ATOM 0 HG3 LYS A 7 8.442 -0.334 0.094 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.552 -3.316 0.715 1.00 0.00 H new ATOM 0 HD3 LYS A 7 9.331 -2.486 -0.618 1.00 0.00 H new ATOM 0 HE2 LYS A 7 10.769 -1.235 1.007 1.00 0.00 H new ATOM 0 HE3 LYS A 7 9.993 -2.074 2.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 12.134 -3.038 1.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 10.852 -4.147 1.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 11.471 -3.435 0.151 1.00 0.00 H new ATOM 107 N GLU A 8 7.172 0.945 4.379 1.00 0.00 N ATOM 108 CA GLU A 8 7.071 1.100 5.834 1.00 0.00 C ATOM 109 C GLU A 8 5.980 2.136 6.206 1.00 0.00 C ATOM 110 O GLU A 8 5.247 1.924 7.167 1.00 0.00 O ATOM 111 CB GLU A 8 8.480 1.409 6.447 1.00 0.00 C ATOM 112 CG GLU A 8 9.130 2.772 6.083 1.00 0.00 C ATOM 113 CD GLU A 8 8.793 3.910 7.065 1.00 0.00 C ATOM 114 OE1 GLU A 8 9.308 3.893 8.205 1.00 0.00 O ATOM 115 OE2 GLU A 8 8.003 4.806 6.719 1.00 0.00 O ATOM 0 H GLU A 8 8.037 1.316 3.987 1.00 0.00 H new ATOM 0 HA GLU A 8 6.745 0.161 6.280 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.395 1.354 7.532 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.163 0.617 6.140 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.212 2.648 6.045 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.807 3.061 5.083 1.00 0.00 H new ATOM 122 N LYS A 9 5.854 3.217 5.417 1.00 0.00 N ATOM 123 CA LYS A 9 4.766 4.211 5.573 1.00 0.00 C ATOM 124 C LYS A 9 3.397 3.530 5.493 1.00 0.00 C ATOM 125 O LYS A 9 2.571 3.659 6.412 1.00 0.00 O ATOM 126 CB LYS A 9 4.867 5.316 4.483 1.00 0.00 C ATOM 127 CG LYS A 9 5.879 6.432 4.796 1.00 0.00 C ATOM 128 CD LYS A 9 5.925 7.507 3.688 1.00 0.00 C ATOM 129 CE LYS A 9 6.898 8.647 4.016 1.00 0.00 C ATOM 130 NZ LYS A 9 6.536 9.327 5.284 1.00 0.00 N ATOM 0 H LYS A 9 6.498 3.430 4.655 1.00 0.00 H new ATOM 0 HA LYS A 9 4.875 4.674 6.554 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.140 4.850 3.536 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.883 5.764 4.346 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.618 6.901 5.744 1.00 0.00 H new ATOM 0 HG3 LYS A 9 6.871 5.997 4.919 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.219 7.042 2.747 1.00 0.00 H new ATOM 0 HD3 LYS A 9 4.926 7.917 3.542 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.911 8.251 4.091 1.00 0.00 H new ATOM 0 HE3 LYS A 9 6.898 9.371 3.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.093 10.200 5.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.523 9.562 5.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.738 8.697 6.086 1.00 0.00 H new ATOM 144 N ILE A 10 3.187 2.787 4.392 1.00 0.00 N ATOM 145 CA ILE A 10 1.912 2.113 4.110 1.00 0.00 C ATOM 146 C ILE A 10 1.589 1.085 5.202 1.00 0.00 C ATOM 147 O ILE A 10 0.454 1.056 5.681 1.00 0.00 O ATOM 148 CB ILE A 10 1.928 1.448 2.683 1.00 0.00 C ATOM 149 CG1 ILE A 10 2.093 2.555 1.598 1.00 0.00 C ATOM 150 CG2 ILE A 10 0.659 0.589 2.416 1.00 0.00 C ATOM 151 CD1 ILE A 10 2.368 2.054 0.195 1.00 0.00 C ATOM 0 H ILE A 10 3.897 2.638 3.675 1.00 0.00 H new ATOM 0 HA ILE A 10 1.122 2.864 4.113 1.00 0.00 H new ATOM 0 HB ILE A 10 2.776 0.765 2.637 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.186 3.159 1.579 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.908 3.214 1.897 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.718 0.152 1.419 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.596 -0.207 3.158 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.228 1.219 2.484 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.466 2.903 -0.482 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.293 1.477 0.189 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.544 1.421 -0.134 1.00 0.00 H new ATOM 163 N ARG A 11 2.610 0.299 5.641 1.00 0.00 N ATOM 164 CA ARG A 11 2.410 -0.754 6.658 1.00 0.00 C ATOM 165 C ARG A 11 2.008 -0.133 7.994 1.00 0.00 C ATOM 166 O ARG A 11 1.180 -0.701 8.701 1.00 0.00 O ATOM 167 CB ARG A 11 3.629 -1.738 6.783 1.00 0.00 C ATOM 168 CG ARG A 11 4.918 -1.289 7.535 1.00 0.00 C ATOM 169 CD ARG A 11 4.850 -1.376 9.087 1.00 0.00 C ATOM 170 NE ARG A 11 6.104 -1.876 9.701 1.00 0.00 N ATOM 171 CZ ARG A 11 7.278 -1.221 9.760 1.00 0.00 C ATOM 172 NH1 ARG A 11 7.421 -0.015 9.233 1.00 0.00 N ATOM 173 NH2 ARG A 11 8.311 -1.791 10.346 1.00 0.00 N ATOM 0 H ARG A 11 3.570 0.379 5.306 1.00 0.00 H new ATOM 0 HA ARG A 11 1.586 -1.382 6.319 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.267 -2.642 7.272 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.924 -2.018 5.772 1.00 0.00 H new ATOM 0 HG2 ARG A 11 5.751 -1.901 7.190 1.00 0.00 H new ATOM 0 HG3 ARG A 11 5.141 -0.259 7.255 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.625 -0.389 9.490 1.00 0.00 H new ATOM 0 HD3 ARG A 11 4.027 -2.032 9.372 1.00 0.00 H new ATOM 0 HE ARG A 11 6.074 -2.806 10.119 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.632 0.436 8.770 1.00 0.00 H new ATOM 0 HH12 ARG A 11 8.320 0.463 9.290 1.00 0.00 H new ATOM 0 HH21 ARG A 11 8.218 -2.722 10.751 1.00 0.00 H new ATOM 0 HH22 ARG A 11 9.204 -1.301 10.395 1.00 0.00 H new ATOM 187 N ARG A 12 2.576 1.052 8.308 1.00 0.00 N ATOM 188 CA ARG A 12 2.248 1.775 9.538 1.00 0.00 C ATOM 189 C ARG A 12 0.803 2.267 9.495 1.00 0.00 C ATOM 190 O ARG A 12 0.097 2.171 10.491 1.00 0.00 O ATOM 191 CB ARG A 12 3.227 2.966 9.813 1.00 0.00 C ATOM 192 CG ARG A 12 4.418 2.622 10.757 1.00 0.00 C ATOM 193 CD ARG A 12 5.767 2.477 10.059 1.00 0.00 C ATOM 194 NE ARG A 12 6.210 3.723 9.404 1.00 0.00 N ATOM 195 CZ ARG A 12 6.684 4.821 10.033 1.00 0.00 C ATOM 196 NH1 ARG A 12 6.788 4.874 11.356 1.00 0.00 N ATOM 197 NH2 ARG A 12 7.082 5.859 9.321 1.00 0.00 N ATOM 0 H ARG A 12 3.264 1.522 7.720 1.00 0.00 H new ATOM 0 HA ARG A 12 2.364 1.073 10.364 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.625 3.319 8.862 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.662 3.790 10.248 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.499 3.401 11.515 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.193 1.692 11.279 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.517 2.169 10.788 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.702 1.684 9.314 1.00 0.00 H new ATOM 0 HE ARG A 12 6.153 3.759 8.386 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.507 4.074 11.922 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.149 5.715 11.806 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.031 5.829 8.303 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.441 6.691 9.789 1.00 0.00 H new ATOM 211 N TYR A 13 0.374 2.764 8.331 1.00 0.00 N ATOM 212 CA TYR A 13 -0.990 3.286 8.143 1.00 0.00 C ATOM 213 C TYR A 13 -2.032 2.162 8.301 1.00 0.00 C ATOM 214 O TYR A 13 -3.139 2.400 8.805 1.00 0.00 O ATOM 215 CB TYR A 13 -1.130 3.961 6.768 1.00 0.00 C ATOM 216 CG TYR A 13 -2.470 4.685 6.568 1.00 0.00 C ATOM 217 CD1 TYR A 13 -2.820 5.770 7.372 1.00 0.00 C ATOM 218 CD2 TYR A 13 -3.378 4.286 5.590 1.00 0.00 C ATOM 219 CE1 TYR A 13 -4.021 6.424 7.206 1.00 0.00 C ATOM 220 CE2 TYR A 13 -4.575 4.936 5.421 1.00 0.00 C ATOM 221 CZ TYR A 13 -4.897 6.000 6.225 1.00 0.00 C ATOM 222 OH TYR A 13 -6.113 6.623 6.068 1.00 0.00 O ATOM 0 H TYR A 13 0.956 2.817 7.495 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.175 4.035 8.913 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -0.318 4.677 6.640 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.015 3.207 5.990 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.137 6.103 8.139 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.135 3.449 4.952 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -4.276 7.262 7.838 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -5.263 4.610 4.655 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.398 6.553 5.133 1.00 0.00 H new ATOM 232 N ILE A 14 -1.660 0.940 7.870 1.00 0.00 N ATOM 233 CA ILE A 14 -2.490 -0.264 8.060 1.00 0.00 C ATOM 234 C ILE A 14 -2.623 -0.583 9.564 1.00 0.00 C ATOM 235 O ILE A 14 -3.641 -1.092 10.000 1.00 0.00 O ATOM 236 CB ILE A 14 -1.902 -1.496 7.283 1.00 0.00 C ATOM 237 CG1 ILE A 14 -1.735 -1.164 5.765 1.00 0.00 C ATOM 238 CG2 ILE A 14 -2.773 -2.768 7.468 1.00 0.00 C ATOM 239 CD1 ILE A 14 -0.761 -2.076 5.035 1.00 0.00 C ATOM 0 H ILE A 14 -0.781 0.762 7.384 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.480 -0.061 7.652 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.920 -1.706 7.707 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.709 -1.228 5.280 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.396 -0.133 5.664 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.330 -3.596 6.914 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.822 -3.025 8.526 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.779 -2.578 7.094 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.701 -1.780 3.988 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.225 -1.995 5.492 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -1.108 -3.107 5.102 1.00 0.00 H new ATOM 251 N MET A 15 -1.588 -0.263 10.341 1.00 0.00 N ATOM 252 CA MET A 15 -1.605 -0.426 11.808 1.00 0.00 C ATOM 253 C MET A 15 -2.443 0.686 12.482 1.00 0.00 C ATOM 254 O MET A 15 -3.099 0.441 13.498 1.00 0.00 O ATOM 255 CB MET A 15 -0.156 -0.410 12.344 1.00 0.00 C ATOM 256 CG MET A 15 0.758 -1.450 11.692 1.00 0.00 C ATOM 257 SD MET A 15 2.480 -1.287 12.185 1.00 0.00 S ATOM 258 CE MET A 15 2.328 -1.574 13.937 1.00 0.00 C ATOM 0 H MET A 15 -0.713 0.116 9.979 1.00 0.00 H new ATOM 0 HA MET A 15 -2.069 -1.382 12.049 1.00 0.00 H new ATOM 0 HB2 MET A 15 0.268 0.582 12.187 1.00 0.00 H new ATOM 0 HB3 MET A 15 -0.175 -0.581 13.420 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.405 -2.448 11.952 1.00 0.00 H new ATOM 0 HG3 MET A 15 0.687 -1.359 10.608 1.00 0.00 H new ATOM 0 HE1 MET A 15 3.289 -1.895 14.338 1.00 0.00 H new ATOM 0 HE2 MET A 15 2.018 -0.653 14.431 1.00 0.00 H new ATOM 0 HE3 MET A 15 1.583 -2.350 14.115 1.00 0.00 H new ATOM 268 N GLU A 16 -2.407 1.903 11.899 1.00 0.00 N ATOM 269 CA GLU A 16 -3.090 3.091 12.449 1.00 0.00 C ATOM 270 C GLU A 16 -4.587 3.075 12.097 1.00 0.00 C ATOM 271 O GLU A 16 -5.429 2.748 12.938 1.00 0.00 O ATOM 272 CB GLU A 16 -2.432 4.412 11.936 1.00 0.00 C ATOM 273 CG GLU A 16 -0.934 4.558 12.243 1.00 0.00 C ATOM 274 CD GLU A 16 -0.588 4.297 13.720 1.00 0.00 C ATOM 275 OE1 GLU A 16 -0.826 5.188 14.564 1.00 0.00 O ATOM 276 OE2 GLU A 16 -0.080 3.197 14.046 1.00 0.00 O ATOM 0 H GLU A 16 -1.902 2.089 11.032 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.985 3.055 13.533 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.573 4.474 10.857 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.961 5.257 12.376 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.372 3.864 11.617 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.611 5.564 11.973 1.00 0.00 H new ATOM 283 N ASP A 17 -4.896 3.410 10.842 1.00 0.00 N ATOM 284 CA ASP A 17 -6.277 3.587 10.371 1.00 0.00 C ATOM 285 C ASP A 17 -7.002 2.243 10.246 1.00 0.00 C ATOM 286 O ASP A 17 -8.038 2.033 10.883 1.00 0.00 O ATOM 287 CB ASP A 17 -6.264 4.317 9.006 1.00 0.00 C ATOM 288 CG ASP A 17 -7.656 4.465 8.354 1.00 0.00 C ATOM 289 OD1 ASP A 17 -8.462 5.279 8.857 1.00 0.00 O ATOM 290 OD2 ASP A 17 -7.933 3.794 7.335 1.00 0.00 O ATOM 0 H ASP A 17 -4.194 3.567 10.119 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.818 4.186 11.103 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -5.831 5.308 9.141 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.611 3.774 8.323 1.00 0.00 H new ATOM 295 N LEU A 18 -6.409 1.334 9.455 1.00 0.00 N ATOM 296 CA LEU A 18 -7.075 0.108 8.975 1.00 0.00 C ATOM 297 C LEU A 18 -7.390 -0.860 10.125 1.00 0.00 C ATOM 298 O LEU A 18 -8.558 -1.132 10.415 1.00 0.00 O ATOM 299 CB LEU A 18 -6.213 -0.591 7.870 1.00 0.00 C ATOM 300 CG LEU A 18 -6.139 0.123 6.477 1.00 0.00 C ATOM 301 CD1 LEU A 18 -7.527 0.468 5.995 1.00 0.00 C ATOM 302 CD2 LEU A 18 -5.265 1.384 6.475 1.00 0.00 C ATOM 0 H LEU A 18 -5.448 1.428 9.127 1.00 0.00 H new ATOM 0 HA LEU A 18 -8.028 0.402 8.534 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.197 -0.701 8.250 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.607 -1.596 7.717 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.665 -0.587 5.799 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.463 0.964 5.026 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.116 -0.444 5.898 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.006 1.134 6.712 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.262 1.823 5.477 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.665 2.105 7.188 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.246 1.121 6.759 1.00 0.00 H new ATOM 314 N ILE A 19 -6.347 -1.369 10.781 1.00 0.00 N ATOM 315 CA ILE A 19 -6.495 -2.328 11.876 1.00 0.00 C ATOM 316 C ILE A 19 -6.683 -1.556 13.186 1.00 0.00 C ATOM 317 O ILE A 19 -7.816 -1.224 13.548 1.00 0.00 O ATOM 318 CB ILE A 19 -5.279 -3.340 11.939 1.00 0.00 C ATOM 319 CG1 ILE A 19 -5.062 -4.045 10.557 1.00 0.00 C ATOM 320 CG2 ILE A 19 -5.462 -4.381 13.074 1.00 0.00 C ATOM 321 CD1 ILE A 19 -3.840 -4.958 10.502 1.00 0.00 C ATOM 0 H ILE A 19 -5.379 -1.129 10.569 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.378 -2.943 11.703 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.383 -2.762 12.167 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.950 -4.631 10.318 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.966 -3.282 9.784 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.609 -5.059 13.087 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.531 -3.866 14.032 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.375 -4.951 12.901 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.764 -5.405 9.511 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.941 -4.376 10.707 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.940 -5.746 11.249 1.00 0.00 H new ATOM 333 N GLY A 20 -5.574 -1.243 13.876 1.00 0.00 N ATOM 334 CA GLY A 20 -5.624 -0.586 15.176 1.00 0.00 C ATOM 335 C GLY A 20 -5.087 -1.485 16.290 1.00 0.00 C ATOM 336 O GLY A 20 -3.933 -1.323 16.696 1.00 0.00 O ATOM 0 H GLY A 20 -4.629 -1.440 13.545 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.042 0.335 15.140 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -6.653 -0.304 15.401 1.00 0.00 H new ATOM 340 N PRO A 21 -5.889 -2.487 16.782 1.00 0.00 N ATOM 341 CA PRO A 21 -5.531 -3.295 17.950 1.00 0.00 C ATOM 342 C PRO A 21 -4.638 -4.516 17.615 1.00 0.00 C ATOM 343 O PRO A 21 -3.563 -4.644 18.191 1.00 0.00 O ATOM 344 CB PRO A 21 -6.914 -3.694 18.525 1.00 0.00 C ATOM 345 CG PRO A 21 -7.895 -3.613 17.381 1.00 0.00 C ATOM 346 CD PRO A 21 -7.196 -2.911 16.226 1.00 0.00 C ATOM 0 HA PRO A 21 -4.911 -2.749 18.661 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.885 -4.701 18.940 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.206 -3.024 19.334 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -8.220 -4.610 17.083 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.787 -3.063 17.680 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.067 -3.580 15.375 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.773 -2.056 15.874 1.00 0.00 H new ATOM 354 N SER A 22 -5.079 -5.404 16.691 1.00 0.00 N ATOM 355 CA SER A 22 -4.302 -6.613 16.301 1.00 0.00 C ATOM 356 C SER A 22 -3.211 -6.242 15.267 1.00 0.00 C ATOM 357 O SER A 22 -3.253 -6.647 14.093 1.00 0.00 O ATOM 358 CB SER A 22 -5.260 -7.703 15.755 1.00 0.00 C ATOM 359 OG SER A 22 -4.578 -8.924 15.473 1.00 0.00 O ATOM 0 H SER A 22 -5.968 -5.308 16.200 1.00 0.00 H new ATOM 0 HA SER A 22 -3.798 -7.017 17.179 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.050 -7.889 16.483 1.00 0.00 H new ATOM 0 HB3 SER A 22 -5.742 -7.340 14.848 1.00 0.00 H new ATOM 0 HG SER A 22 -5.217 -9.585 15.133 1.00 0.00 H new ATOM 365 N ALA A 23 -2.256 -5.429 15.733 1.00 0.00 N ATOM 366 CA ALA A 23 -1.141 -4.931 14.933 1.00 0.00 C ATOM 367 C ALA A 23 -0.039 -4.464 15.888 1.00 0.00 C ATOM 368 O ALA A 23 -0.021 -3.310 16.317 1.00 0.00 O ATOM 369 CB ALA A 23 -1.590 -3.794 13.990 1.00 0.00 C ATOM 0 H ALA A 23 -2.240 -5.095 16.697 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.760 -5.728 14.295 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.737 -3.445 13.408 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.362 -4.164 13.315 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.989 -2.969 14.580 1.00 0.00 H new ATOM 375 N LYS A 24 0.833 -5.410 16.271 1.00 0.00 N ATOM 376 CA LYS A 24 2.022 -5.139 17.097 1.00 0.00 C ATOM 377 C LYS A 24 3.067 -4.384 16.247 1.00 0.00 C ATOM 378 O LYS A 24 2.929 -4.346 15.025 1.00 0.00 O ATOM 379 CB LYS A 24 2.578 -6.477 17.671 1.00 0.00 C ATOM 380 CG LYS A 24 3.627 -6.320 18.790 1.00 0.00 C ATOM 381 CD LYS A 24 4.104 -7.675 19.348 1.00 0.00 C ATOM 382 CE LYS A 24 5.144 -7.513 20.472 1.00 0.00 C ATOM 383 NZ LYS A 24 5.503 -8.813 21.087 1.00 0.00 N ATOM 0 H LYS A 24 0.733 -6.392 16.015 1.00 0.00 H new ATOM 0 HA LYS A 24 1.763 -4.506 17.946 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.744 -7.064 18.055 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.021 -7.048 16.855 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.484 -5.768 18.405 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.203 -5.726 19.600 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.247 -8.231 19.727 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.535 -8.266 18.540 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.041 -7.042 20.071 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.749 -6.846 21.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.205 -8.659 21.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.652 -9.252 21.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.904 -9.441 20.362 1.00 0.00 H new ATOM 397 N GLU A 25 4.111 -3.832 16.908 1.00 0.00 N ATOM 398 CA GLU A 25 5.126 -2.905 16.325 1.00 0.00 C ATOM 399 C GLU A 25 5.641 -3.305 14.912 1.00 0.00 C ATOM 400 O GLU A 25 6.052 -2.428 14.138 1.00 0.00 O ATOM 401 CB GLU A 25 6.324 -2.803 17.314 1.00 0.00 C ATOM 402 CG GLU A 25 5.953 -2.328 18.743 1.00 0.00 C ATOM 403 CD GLU A 25 7.130 -2.385 19.740 1.00 0.00 C ATOM 404 OE1 GLU A 25 7.926 -1.423 19.804 1.00 0.00 O ATOM 405 OE2 GLU A 25 7.267 -3.390 20.471 1.00 0.00 O ATOM 0 H GLU A 25 4.281 -4.022 17.896 1.00 0.00 H new ATOM 0 HA GLU A 25 4.629 -1.945 16.186 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.802 -3.780 17.384 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.062 -2.116 16.899 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.581 -1.305 18.691 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.138 -2.945 19.121 1.00 0.00 H new ATOM 412 N ASP A 26 5.608 -4.608 14.571 1.00 0.00 N ATOM 413 CA ASP A 26 6.039 -5.079 13.241 1.00 0.00 C ATOM 414 C ASP A 26 5.254 -6.344 12.826 1.00 0.00 C ATOM 415 O ASP A 26 5.783 -7.225 12.134 1.00 0.00 O ATOM 416 CB ASP A 26 7.582 -5.326 13.242 1.00 0.00 C ATOM 417 CG ASP A 26 8.221 -5.385 11.836 1.00 0.00 C ATOM 418 OD1 ASP A 26 7.832 -4.576 10.957 1.00 0.00 O ATOM 419 OD2 ASP A 26 9.157 -6.193 11.615 1.00 0.00 O ATOM 0 H ASP A 26 5.289 -5.349 15.195 1.00 0.00 H new ATOM 0 HA ASP A 26 5.820 -4.310 12.500 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.064 -4.533 13.814 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.787 -6.263 13.760 1.00 0.00 H new ATOM 424 N GLU A 27 3.966 -6.431 13.242 1.00 0.00 N ATOM 425 CA GLU A 27 3.052 -7.467 12.717 1.00 0.00 C ATOM 426 C GLU A 27 2.756 -7.202 11.234 1.00 0.00 C ATOM 427 O GLU A 27 2.392 -8.111 10.490 1.00 0.00 O ATOM 428 CB GLU A 27 1.715 -7.582 13.527 1.00 0.00 C ATOM 429 CG GLU A 27 1.822 -8.472 14.783 1.00 0.00 C ATOM 430 CD GLU A 27 0.462 -8.974 15.315 1.00 0.00 C ATOM 431 OE1 GLU A 27 -0.360 -8.148 15.762 1.00 0.00 O ATOM 432 OE2 GLU A 27 0.225 -10.202 15.314 1.00 0.00 O ATOM 0 H GLU A 27 3.545 -5.805 13.929 1.00 0.00 H new ATOM 0 HA GLU A 27 3.563 -8.423 12.829 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.396 -6.584 13.827 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.939 -7.982 12.874 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.451 -9.332 14.554 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.324 -7.911 15.571 1.00 0.00 H new ATOM 439 N LEU A 28 2.865 -5.936 10.838 1.00 0.00 N ATOM 440 CA LEU A 28 2.878 -5.540 9.438 1.00 0.00 C ATOM 441 C LEU A 28 4.344 -5.463 8.994 1.00 0.00 C ATOM 442 O LEU A 28 5.106 -4.603 9.443 1.00 0.00 O ATOM 443 CB LEU A 28 2.126 -4.189 9.250 1.00 0.00 C ATOM 444 CG LEU A 28 0.571 -4.289 9.137 1.00 0.00 C ATOM 445 CD1 LEU A 28 0.161 -5.099 7.896 1.00 0.00 C ATOM 446 CD2 LEU A 28 -0.064 -4.869 10.418 1.00 0.00 C ATOM 0 H LEU A 28 2.947 -5.153 11.487 1.00 0.00 H new ATOM 0 HA LEU A 28 2.355 -6.267 8.816 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.370 -3.539 10.090 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.507 -3.704 8.351 1.00 0.00 H new ATOM 0 HG LEU A 28 0.188 -3.275 9.022 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.926 -5.154 7.840 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.546 -4.612 7.000 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.572 -6.106 7.967 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.146 -4.921 10.296 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.329 -5.869 10.598 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.175 -4.227 11.266 1.00 0.00 H new ATOM 458 N ASP A 29 4.716 -6.409 8.145 1.00 0.00 N ATOM 459 CA ASP A 29 6.089 -6.590 7.650 1.00 0.00 C ATOM 460 C ASP A 29 6.118 -6.394 6.137 1.00 0.00 C ATOM 461 O ASP A 29 5.067 -6.378 5.474 1.00 0.00 O ATOM 462 CB ASP A 29 6.595 -8.014 8.046 1.00 0.00 C ATOM 463 CG ASP A 29 8.060 -8.309 7.664 1.00 0.00 C ATOM 464 OD1 ASP A 29 8.972 -7.770 8.328 1.00 0.00 O ATOM 465 OD2 ASP A 29 8.306 -9.064 6.692 1.00 0.00 O ATOM 0 H ASP A 29 4.061 -7.094 7.767 1.00 0.00 H new ATOM 0 HA ASP A 29 6.751 -5.850 8.100 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.483 -8.137 9.123 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.954 -8.757 7.572 1.00 0.00 H new ATOM 470 N ASP A 30 7.338 -6.270 5.616 1.00 0.00 N ATOM 471 CA ASP A 30 7.622 -6.089 4.185 1.00 0.00 C ATOM 472 C ASP A 30 7.028 -7.229 3.342 1.00 0.00 C ATOM 473 O ASP A 30 6.504 -7.006 2.252 1.00 0.00 O ATOM 474 CB ASP A 30 9.166 -6.010 3.986 1.00 0.00 C ATOM 475 CG ASP A 30 9.626 -6.128 2.517 1.00 0.00 C ATOM 476 OD1 ASP A 30 9.180 -5.331 1.677 1.00 0.00 O ATOM 477 OD2 ASP A 30 10.468 -7.000 2.202 1.00 0.00 O ATOM 0 H ASP A 30 8.181 -6.293 6.189 1.00 0.00 H new ATOM 0 HA ASP A 30 7.155 -5.164 3.847 1.00 0.00 H new ATOM 0 HB2 ASP A 30 9.525 -5.064 4.391 1.00 0.00 H new ATOM 0 HB3 ASP A 30 9.636 -6.804 4.566 1.00 0.00 H new ATOM 482 N GLN A 31 7.093 -8.442 3.889 1.00 0.00 N ATOM 483 CA GLN A 31 6.734 -9.675 3.180 1.00 0.00 C ATOM 484 C GLN A 31 5.461 -10.288 3.794 1.00 0.00 C ATOM 485 O GLN A 31 5.148 -11.459 3.550 1.00 0.00 O ATOM 486 CB GLN A 31 7.936 -10.657 3.246 1.00 0.00 C ATOM 487 CG GLN A 31 9.225 -10.105 2.599 1.00 0.00 C ATOM 488 CD GLN A 31 10.473 -10.921 2.932 1.00 0.00 C ATOM 489 OE1 GLN A 31 10.834 -11.857 2.226 1.00 0.00 O ATOM 490 NE2 GLN A 31 11.124 -10.575 4.032 1.00 0.00 N ATOM 0 H GLN A 31 7.400 -8.601 4.849 1.00 0.00 H new ATOM 0 HA GLN A 31 6.517 -9.461 2.134 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.139 -10.899 4.289 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.661 -11.588 2.750 1.00 0.00 H new ATOM 0 HG2 GLN A 31 9.096 -10.079 1.517 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.375 -9.077 2.927 1.00 0.00 H new ATOM 0 HE21 GLN A 31 10.794 -9.791 4.594 1.00 0.00 H new ATOM 0 HE22 GLN A 31 11.955 -11.093 4.317 1.00 0.00 H new ATOM 499 N THR A 32 4.753 -9.483 4.622 1.00 0.00 N ATOM 500 CA THR A 32 3.426 -9.836 5.127 1.00 0.00 C ATOM 501 C THR A 32 2.427 -9.860 3.952 1.00 0.00 C ATOM 502 O THR A 32 2.273 -8.849 3.248 1.00 0.00 O ATOM 503 CB THR A 32 2.944 -8.840 6.230 1.00 0.00 C ATOM 504 OG1 THR A 32 3.675 -9.068 7.438 1.00 0.00 O ATOM 505 CG2 THR A 32 1.436 -8.930 6.533 1.00 0.00 C ATOM 0 H THR A 32 5.092 -8.579 4.950 1.00 0.00 H new ATOM 0 HA THR A 32 3.482 -10.823 5.586 1.00 0.00 H new ATOM 0 HB THR A 32 3.130 -7.840 5.838 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.115 -8.836 8.208 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.177 -8.209 7.308 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.869 -8.709 5.628 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.193 -9.935 6.877 1.00 0.00 H new ATOM 513 N PRO A 33 1.747 -11.020 3.725 1.00 0.00 N ATOM 514 CA PRO A 33 0.702 -11.124 2.712 1.00 0.00 C ATOM 515 C PRO A 33 -0.578 -10.415 3.203 1.00 0.00 C ATOM 516 O PRO A 33 -1.431 -11.010 3.867 1.00 0.00 O ATOM 517 CB PRO A 33 0.528 -12.646 2.537 1.00 0.00 C ATOM 518 CG PRO A 33 0.909 -13.238 3.867 1.00 0.00 C ATOM 519 CD PRO A 33 1.946 -12.302 4.459 1.00 0.00 C ATOM 0 HA PRO A 33 0.940 -10.642 1.764 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.499 -12.898 2.273 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.165 -13.027 1.739 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.040 -13.321 4.520 1.00 0.00 H new ATOM 0 HG3 PRO A 33 1.314 -14.243 3.745 1.00 0.00 H new ATOM 0 HD2 PRO A 33 1.799 -12.173 5.531 1.00 0.00 H new ATOM 0 HD3 PRO A 33 2.956 -12.688 4.319 1.00 0.00 H new ATOM 527 N LEU A 34 -0.644 -9.111 2.892 1.00 0.00 N ATOM 528 CA LEU A 34 -1.675 -8.180 3.376 1.00 0.00 C ATOM 529 C LEU A 34 -3.090 -8.706 3.050 1.00 0.00 C ATOM 530 O LEU A 34 -3.929 -8.916 3.937 1.00 0.00 O ATOM 531 CB LEU A 34 -1.467 -6.794 2.704 1.00 0.00 C ATOM 532 CG LEU A 34 -0.037 -6.160 2.807 1.00 0.00 C ATOM 533 CD1 LEU A 34 0.061 -4.845 1.994 1.00 0.00 C ATOM 534 CD2 LEU A 34 0.383 -5.949 4.277 1.00 0.00 C ATOM 0 H LEU A 34 0.038 -8.663 2.280 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.584 -8.089 4.458 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.720 -6.888 1.648 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.180 -6.095 3.142 1.00 0.00 H new ATOM 0 HG LEU A 34 0.665 -6.868 2.366 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.066 -4.433 2.088 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.151 -5.049 0.944 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.663 -4.126 2.377 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.379 -5.508 4.311 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.326 -5.281 4.766 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.393 -6.909 4.794 1.00 0.00 H new ATOM 546 N LEU A 35 -3.301 -8.964 1.758 1.00 0.00 N ATOM 547 CA LEU A 35 -4.595 -9.387 1.220 1.00 0.00 C ATOM 548 C LEU A 35 -4.984 -10.794 1.723 1.00 0.00 C ATOM 549 O LEU A 35 -6.167 -11.075 1.935 1.00 0.00 O ATOM 550 CB LEU A 35 -4.535 -9.379 -0.317 1.00 0.00 C ATOM 551 CG LEU A 35 -5.905 -9.509 -1.031 1.00 0.00 C ATOM 552 CD1 LEU A 35 -6.744 -8.228 -0.846 1.00 0.00 C ATOM 553 CD2 LEU A 35 -5.721 -9.875 -2.505 1.00 0.00 C ATOM 0 H LEU A 35 -2.572 -8.884 1.049 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.356 -8.688 1.567 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.061 -8.453 -0.641 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.894 -10.197 -0.644 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.461 -10.325 -0.568 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -7.701 -8.343 -1.356 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.917 -8.057 0.216 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.208 -7.378 -1.268 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.697 -9.960 -2.983 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.139 -9.099 -3.003 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.195 -10.827 -2.581 1.00 0.00 H new ATOM 565 N GLU A 36 -3.967 -11.657 1.915 1.00 0.00 N ATOM 566 CA GLU A 36 -4.160 -13.054 2.374 1.00 0.00 C ATOM 567 C GLU A 36 -4.718 -13.083 3.808 1.00 0.00 C ATOM 568 O GLU A 36 -5.516 -13.954 4.165 1.00 0.00 O ATOM 569 CB GLU A 36 -2.816 -13.824 2.311 1.00 0.00 C ATOM 570 CG GLU A 36 -2.935 -15.356 2.374 1.00 0.00 C ATOM 571 CD GLU A 36 -3.724 -15.922 1.183 1.00 0.00 C ATOM 572 OE1 GLU A 36 -3.221 -15.845 0.040 1.00 0.00 O ATOM 573 OE2 GLU A 36 -4.861 -16.407 1.371 1.00 0.00 O ATOM 0 H GLU A 36 -2.990 -11.410 1.758 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.880 -13.538 1.714 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.303 -13.553 1.388 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.186 -13.490 3.135 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.938 -15.797 2.391 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.426 -15.643 3.304 1.00 0.00 H new ATOM 580 N TRP A 37 -4.269 -12.111 4.618 1.00 0.00 N ATOM 581 CA TRP A 37 -4.768 -11.898 5.995 1.00 0.00 C ATOM 582 C TRP A 37 -6.192 -11.291 5.987 1.00 0.00 C ATOM 583 O TRP A 37 -6.897 -11.343 7.001 1.00 0.00 O ATOM 584 CB TRP A 37 -3.782 -10.992 6.788 1.00 0.00 C ATOM 585 CG TRP A 37 -2.434 -11.634 7.090 1.00 0.00 C ATOM 586 CD1 TRP A 37 -1.874 -12.740 6.502 1.00 0.00 C ATOM 587 CD2 TRP A 37 -1.489 -11.198 8.076 1.00 0.00 C ATOM 588 NE1 TRP A 37 -0.646 -13.001 7.051 1.00 0.00 N ATOM 589 CE2 TRP A 37 -0.386 -12.073 8.017 1.00 0.00 C ATOM 590 CE3 TRP A 37 -1.470 -10.145 8.996 1.00 0.00 C ATOM 591 CZ2 TRP A 37 0.719 -11.933 8.847 1.00 0.00 C ATOM 592 CZ3 TRP A 37 -0.370 -10.006 9.822 1.00 0.00 C ATOM 593 CH2 TRP A 37 0.714 -10.894 9.739 1.00 0.00 C ATOM 0 H TRP A 37 -3.547 -11.446 4.340 1.00 0.00 H new ATOM 0 HA TRP A 37 -4.827 -12.866 6.492 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.615 -10.076 6.221 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -4.251 -10.703 7.729 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -2.335 -13.322 5.718 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -0.027 -13.765 6.781 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.298 -9.454 9.060 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 1.552 -12.619 8.791 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.344 -9.202 10.542 1.00 0.00 H new ATOM 0 HH2 TRP A 37 1.562 -10.755 10.393 1.00 0.00 H new ATOM 604 N GLY A 38 -6.590 -10.711 4.838 1.00 0.00 N ATOM 605 CA GLY A 38 -7.938 -10.161 4.652 1.00 0.00 C ATOM 606 C GLY A 38 -8.112 -8.783 5.263 1.00 0.00 C ATOM 607 O GLY A 38 -9.240 -8.294 5.399 1.00 0.00 O ATOM 0 H GLY A 38 -5.988 -10.613 4.021 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.158 -10.109 3.586 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.665 -10.842 5.094 1.00 0.00 H new ATOM 611 N ILE A 39 -6.982 -8.152 5.626 1.00 0.00 N ATOM 612 CA ILE A 39 -6.958 -6.787 6.181 1.00 0.00 C ATOM 613 C ILE A 39 -7.177 -5.744 5.059 1.00 0.00 C ATOM 614 O ILE A 39 -7.490 -4.580 5.335 1.00 0.00 O ATOM 615 CB ILE A 39 -5.604 -6.518 6.942 1.00 0.00 C ATOM 616 CG1 ILE A 39 -4.391 -6.550 5.956 1.00 0.00 C ATOM 617 CG2 ILE A 39 -5.417 -7.536 8.100 1.00 0.00 C ATOM 618 CD1 ILE A 39 -3.026 -6.375 6.594 1.00 0.00 C ATOM 0 H ILE A 39 -6.058 -8.575 5.543 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.772 -6.692 6.900 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.648 -5.519 7.376 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.404 -7.500 5.422 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.529 -5.765 5.213 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.477 -7.334 8.613 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.243 -7.441 8.805 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.400 -8.548 7.696 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.256 -6.413 5.823 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.983 -5.412 7.103 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.856 -7.174 7.315 1.00 0.00 H new ATOM 630 N LEU A 40 -6.999 -6.187 3.788 1.00 0.00 N ATOM 631 CA LEU A 40 -7.231 -5.355 2.593 1.00 0.00 C ATOM 632 C LEU A 40 -8.473 -5.864 1.828 1.00 0.00 C ATOM 633 O LEU A 40 -8.729 -7.077 1.770 1.00 0.00 O ATOM 634 CB LEU A 40 -6.000 -5.338 1.631 1.00 0.00 C ATOM 635 CG LEU A 40 -4.635 -4.822 2.201 1.00 0.00 C ATOM 636 CD1 LEU A 40 -3.658 -4.477 1.054 1.00 0.00 C ATOM 637 CD2 LEU A 40 -4.804 -3.635 3.176 1.00 0.00 C ATOM 0 H LEU A 40 -6.690 -7.134 3.569 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.394 -4.335 2.940 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.848 -6.353 1.264 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.257 -4.723 0.769 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.206 -5.636 2.785 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.717 -4.121 1.473 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.474 -5.367 0.453 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.093 -3.699 0.427 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.826 -3.320 3.539 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.284 -2.804 2.658 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.422 -3.942 4.020 1.00 0.00 H new ATOM 649 N ASN A 41 -9.201 -4.900 1.237 1.00 0.00 N ATOM 650 CA ASN A 41 -10.430 -5.120 0.459 1.00 0.00 C ATOM 651 C ASN A 41 -10.809 -3.817 -0.290 1.00 0.00 C ATOM 652 O ASN A 41 -10.167 -2.773 -0.094 1.00 0.00 O ATOM 653 CB ASN A 41 -11.603 -5.630 1.369 1.00 0.00 C ATOM 654 CG ASN A 41 -12.224 -4.596 2.323 1.00 0.00 C ATOM 655 OD1 ASN A 41 -11.597 -3.624 2.727 1.00 0.00 O ATOM 656 ND2 ASN A 41 -13.471 -4.827 2.713 1.00 0.00 N ATOM 0 H ASN A 41 -8.941 -3.915 1.290 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.246 -5.903 -0.277 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -12.392 -6.018 0.725 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -11.236 -6.467 1.963 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -13.929 -4.188 3.363 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -13.972 -5.643 2.362 1.00 0.00 H new ATOM 663 N SER A 42 -11.845 -3.906 -1.144 1.00 0.00 N ATOM 664 CA SER A 42 -12.359 -2.784 -1.968 1.00 0.00 C ATOM 665 C SER A 42 -12.877 -1.610 -1.090 1.00 0.00 C ATOM 666 O SER A 42 -12.790 -0.442 -1.492 1.00 0.00 O ATOM 667 CB SER A 42 -13.465 -3.346 -2.918 1.00 0.00 C ATOM 668 OG SER A 42 -14.356 -2.372 -3.434 1.00 0.00 O ATOM 0 H SER A 42 -12.362 -4.774 -1.287 1.00 0.00 H new ATOM 0 HA SER A 42 -11.549 -2.364 -2.565 1.00 0.00 H new ATOM 0 HB2 SER A 42 -12.983 -3.856 -3.752 1.00 0.00 H new ATOM 0 HB3 SER A 42 -14.042 -4.096 -2.377 1.00 0.00 H new ATOM 0 HG SER A 42 -15.013 -2.806 -4.018 1.00 0.00 H new ATOM 673 N MET A 43 -13.370 -1.926 0.122 1.00 0.00 N ATOM 674 CA MET A 43 -13.859 -0.906 1.073 1.00 0.00 C ATOM 675 C MET A 43 -12.715 0.000 1.566 1.00 0.00 C ATOM 676 O MET A 43 -12.815 1.230 1.473 1.00 0.00 O ATOM 677 CB MET A 43 -14.589 -1.558 2.284 1.00 0.00 C ATOM 678 CG MET A 43 -15.963 -2.186 1.977 1.00 0.00 C ATOM 679 SD MET A 43 -17.300 -0.964 1.794 1.00 0.00 S ATOM 680 CE MET A 43 -17.143 -0.394 0.094 1.00 0.00 C ATOM 0 H MET A 43 -13.441 -2.883 0.468 1.00 0.00 H new ATOM 0 HA MET A 43 -14.577 -0.288 0.534 1.00 0.00 H new ATOM 0 HB2 MET A 43 -13.943 -2.330 2.702 1.00 0.00 H new ATOM 0 HB3 MET A 43 -14.721 -0.800 3.056 1.00 0.00 H new ATOM 0 HG2 MET A 43 -15.889 -2.771 1.060 1.00 0.00 H new ATOM 0 HG3 MET A 43 -16.223 -2.879 2.777 1.00 0.00 H new ATOM 0 HE1 MET A 43 -18.132 -0.326 -0.360 1.00 0.00 H new ATOM 0 HE2 MET A 43 -16.670 0.588 0.082 1.00 0.00 H new ATOM 0 HE3 MET A 43 -16.532 -1.098 -0.471 1.00 0.00 H new ATOM 690 N ASN A 44 -11.624 -0.607 2.067 1.00 0.00 N ATOM 691 CA ASN A 44 -10.515 0.158 2.681 1.00 0.00 C ATOM 692 C ASN A 44 -9.532 0.707 1.632 1.00 0.00 C ATOM 693 O ASN A 44 -8.677 1.542 1.968 1.00 0.00 O ATOM 694 CB ASN A 44 -9.743 -0.652 3.745 1.00 0.00 C ATOM 695 CG ASN A 44 -8.722 -1.658 3.189 1.00 0.00 C ATOM 696 OD1 ASN A 44 -9.055 -2.784 2.944 1.00 0.00 O ATOM 697 ND2 ASN A 44 -7.474 -1.231 2.979 1.00 0.00 N ATOM 0 H ASN A 44 -11.484 -1.617 2.061 1.00 0.00 H new ATOM 0 HA ASN A 44 -10.994 0.999 3.182 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -9.222 0.045 4.401 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -10.463 -1.192 4.360 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.774 -1.869 2.600 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -7.221 -0.267 3.197 1.00 0.00 H new ATOM 704 N ILE A 45 -9.642 0.198 0.386 1.00 0.00 N ATOM 705 CA ILE A 45 -8.699 0.492 -0.720 1.00 0.00 C ATOM 706 C ILE A 45 -8.475 2.013 -0.923 1.00 0.00 C ATOM 707 O ILE A 45 -7.368 2.440 -1.253 1.00 0.00 O ATOM 708 CB ILE A 45 -9.194 -0.184 -2.073 1.00 0.00 C ATOM 709 CG1 ILE A 45 -7.987 -0.672 -2.928 1.00 0.00 C ATOM 710 CG2 ILE A 45 -10.132 0.728 -2.912 1.00 0.00 C ATOM 711 CD1 ILE A 45 -7.291 -1.905 -2.377 1.00 0.00 C ATOM 0 H ILE A 45 -10.395 -0.435 0.115 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.737 0.063 -0.438 1.00 0.00 H new ATOM 0 HB ILE A 45 -9.790 -1.047 -1.778 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -8.335 -0.886 -3.938 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.261 0.137 -3.006 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -10.431 0.205 -3.820 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -11.018 0.975 -2.327 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.606 1.645 -3.178 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.463 -2.178 -3.031 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.910 -1.692 -1.378 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.001 -2.731 -2.326 1.00 0.00 H new ATOM 723 N VAL A 46 -9.538 2.807 -0.666 1.00 0.00 N ATOM 724 CA VAL A 46 -9.550 4.261 -0.876 1.00 0.00 C ATOM 725 C VAL A 46 -8.742 5.007 0.212 1.00 0.00 C ATOM 726 O VAL A 46 -8.105 6.014 -0.097 1.00 0.00 O ATOM 727 CB VAL A 46 -11.023 4.820 -0.968 1.00 0.00 C ATOM 728 CG1 VAL A 46 -11.741 4.275 -2.236 1.00 0.00 C ATOM 729 CG2 VAL A 46 -11.841 4.516 0.322 1.00 0.00 C ATOM 0 H VAL A 46 -10.420 2.446 -0.303 1.00 0.00 H new ATOM 0 HA VAL A 46 -9.061 4.447 -1.832 1.00 0.00 H new ATOM 0 HB VAL A 46 -10.959 5.905 -1.054 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -12.755 4.673 -2.279 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -11.192 4.583 -3.126 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -11.780 3.187 -2.192 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -12.849 4.918 0.217 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -11.894 3.438 0.474 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -11.353 4.979 1.180 1.00 0.00 H new ATOM 739 N LYS A 47 -8.753 4.496 1.468 1.00 0.00 N ATOM 740 CA LYS A 47 -7.971 5.103 2.576 1.00 0.00 C ATOM 741 C LYS A 47 -6.464 4.925 2.329 1.00 0.00 C ATOM 742 O LYS A 47 -5.673 5.827 2.624 1.00 0.00 O ATOM 743 CB LYS A 47 -8.367 4.538 3.981 1.00 0.00 C ATOM 744 CG LYS A 47 -9.671 5.142 4.577 1.00 0.00 C ATOM 745 CD LYS A 47 -10.967 4.437 4.118 1.00 0.00 C ATOM 746 CE LYS A 47 -11.158 3.072 4.794 1.00 0.00 C ATOM 747 NZ LYS A 47 -12.451 2.432 4.429 1.00 0.00 N ATOM 0 H LYS A 47 -9.290 3.672 1.739 1.00 0.00 H new ATOM 0 HA LYS A 47 -8.212 6.166 2.587 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -8.485 3.457 3.903 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.547 4.720 4.676 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -9.613 5.098 5.665 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -9.728 6.195 4.303 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -11.823 5.074 4.341 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.942 4.304 3.036 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -10.337 2.412 4.512 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -11.110 3.196 5.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -12.481 1.466 4.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -13.237 2.987 4.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -12.540 2.395 3.393 1.00 0.00 H new ATOM 761 N LEU A 48 -6.076 3.758 1.794 1.00 0.00 N ATOM 762 CA LEU A 48 -4.691 3.517 1.372 1.00 0.00 C ATOM 763 C LEU A 48 -4.349 4.371 0.139 1.00 0.00 C ATOM 764 O LEU A 48 -3.292 4.983 0.096 1.00 0.00 O ATOM 765 CB LEU A 48 -4.450 2.005 1.087 1.00 0.00 C ATOM 766 CG LEU A 48 -4.283 1.093 2.342 1.00 0.00 C ATOM 767 CD1 LEU A 48 -4.120 -0.387 1.939 1.00 0.00 C ATOM 768 CD2 LEU A 48 -3.103 1.566 3.221 1.00 0.00 C ATOM 0 H LEU A 48 -6.703 2.967 1.644 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.029 3.811 2.186 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.286 1.629 0.497 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.556 1.909 0.471 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.193 1.175 2.936 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.006 -0.998 2.835 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.002 -0.713 1.388 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.237 -0.498 1.309 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.010 0.912 4.088 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.181 1.532 2.641 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.285 2.588 3.555 1.00 0.00 H new ATOM 780 N MET A 49 -5.275 4.430 -0.830 1.00 0.00 N ATOM 781 CA MET A 49 -5.084 5.135 -2.108 1.00 0.00 C ATOM 782 C MET A 49 -4.758 6.630 -1.890 1.00 0.00 C ATOM 783 O MET A 49 -3.843 7.178 -2.524 1.00 0.00 O ATOM 784 CB MET A 49 -6.369 4.988 -2.955 1.00 0.00 C ATOM 785 CG MET A 49 -6.281 5.561 -4.368 1.00 0.00 C ATOM 786 SD MET A 49 -7.869 5.524 -5.240 1.00 0.00 S ATOM 787 CE MET A 49 -8.274 3.775 -5.216 1.00 0.00 C ATOM 0 H MET A 49 -6.189 3.984 -0.748 1.00 0.00 H new ATOM 0 HA MET A 49 -4.236 4.691 -2.630 1.00 0.00 H new ATOM 0 HB2 MET A 49 -6.622 3.930 -3.024 1.00 0.00 H new ATOM 0 HB3 MET A 49 -7.189 5.478 -2.431 1.00 0.00 H new ATOM 0 HG2 MET A 49 -5.924 6.589 -4.317 1.00 0.00 H new ATOM 0 HG3 MET A 49 -5.545 4.996 -4.939 1.00 0.00 H new ATOM 0 HE1 MET A 49 -8.590 3.461 -6.211 1.00 0.00 H new ATOM 0 HE2 MET A 49 -7.396 3.202 -4.916 1.00 0.00 H new ATOM 0 HE3 MET A 49 -9.082 3.598 -4.506 1.00 0.00 H new ATOM 797 N VAL A 50 -5.508 7.264 -0.961 1.00 0.00 N ATOM 798 CA VAL A 50 -5.347 8.693 -0.629 1.00 0.00 C ATOM 799 C VAL A 50 -4.056 8.919 0.186 1.00 0.00 C ATOM 800 O VAL A 50 -3.431 9.977 0.076 1.00 0.00 O ATOM 801 CB VAL A 50 -6.590 9.282 0.150 1.00 0.00 C ATOM 802 CG1 VAL A 50 -7.876 9.207 -0.715 1.00 0.00 C ATOM 803 CG2 VAL A 50 -6.789 8.587 1.518 1.00 0.00 C ATOM 0 H VAL A 50 -6.239 6.799 -0.423 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.277 9.228 -1.576 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.383 10.333 0.351 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -8.716 9.619 -0.155 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.733 9.782 -1.630 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.084 8.167 -0.969 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.653 9.019 2.023 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.955 7.521 1.364 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.900 8.731 2.132 1.00 0.00 H new ATOM 813 N TYR A 51 -3.673 7.903 0.987 1.00 0.00 N ATOM 814 CA TYR A 51 -2.452 7.939 1.809 1.00 0.00 C ATOM 815 C TYR A 51 -1.211 8.034 0.912 1.00 0.00 C ATOM 816 O TYR A 51 -0.370 8.911 1.087 1.00 0.00 O ATOM 817 CB TYR A 51 -2.358 6.671 2.692 1.00 0.00 C ATOM 818 CG TYR A 51 -1.126 6.651 3.609 1.00 0.00 C ATOM 819 CD1 TYR A 51 -1.051 7.486 4.731 1.00 0.00 C ATOM 820 CD2 TYR A 51 -0.033 5.815 3.347 1.00 0.00 C ATOM 821 CE1 TYR A 51 0.062 7.485 5.553 1.00 0.00 C ATOM 822 CE2 TYR A 51 1.074 5.815 4.168 1.00 0.00 C ATOM 823 CZ TYR A 51 1.118 6.649 5.269 1.00 0.00 C ATOM 824 OH TYR A 51 2.226 6.652 6.086 1.00 0.00 O ATOM 0 H TYR A 51 -4.203 7.037 1.080 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.497 8.818 2.453 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.257 6.597 3.304 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.336 5.791 2.049 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.877 8.143 4.959 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.058 5.160 2.488 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.102 8.137 6.413 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.907 5.163 3.951 1.00 0.00 H new ATOM 0 HH TYR A 51 2.394 5.743 6.413 1.00 0.00 H new ATOM 834 N ILE A 52 -1.141 7.111 -0.048 1.00 0.00 N ATOM 835 CA ILE A 52 -0.019 6.972 -0.991 1.00 0.00 C ATOM 836 C ILE A 52 0.050 8.187 -1.949 1.00 0.00 C ATOM 837 O ILE A 52 1.134 8.592 -2.394 1.00 0.00 O ATOM 838 CB ILE A 52 -0.183 5.615 -1.761 1.00 0.00 C ATOM 839 CG1 ILE A 52 -0.284 4.427 -0.734 1.00 0.00 C ATOM 840 CG2 ILE A 52 0.960 5.371 -2.784 1.00 0.00 C ATOM 841 CD1 ILE A 52 -1.058 3.223 -1.231 1.00 0.00 C ATOM 0 H ILE A 52 -1.877 6.421 -0.199 1.00 0.00 H new ATOM 0 HA ILE A 52 0.928 6.956 -0.451 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.106 5.671 -2.338 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.724 4.109 -0.467 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.755 4.793 0.179 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.799 4.419 -3.289 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.968 6.175 -3.519 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.917 5.347 -2.262 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.075 2.456 -0.457 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.079 3.520 -1.469 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.578 2.825 -2.125 1.00 0.00 H new ATOM 853 N ARG A 53 -1.133 8.750 -2.245 1.00 0.00 N ATOM 854 CA ARG A 53 -1.276 10.030 -2.962 1.00 0.00 C ATOM 855 C ARG A 53 -0.479 11.152 -2.246 1.00 0.00 C ATOM 856 O ARG A 53 0.304 11.865 -2.878 1.00 0.00 O ATOM 857 CB ARG A 53 -2.774 10.412 -3.030 1.00 0.00 C ATOM 858 CG ARG A 53 -3.074 11.802 -3.636 1.00 0.00 C ATOM 859 CD ARG A 53 -4.479 12.299 -3.280 1.00 0.00 C ATOM 860 NE ARG A 53 -4.635 12.433 -1.812 1.00 0.00 N ATOM 861 CZ ARG A 53 -5.795 12.617 -1.169 1.00 0.00 C ATOM 862 NH1 ARG A 53 -6.939 12.696 -1.832 1.00 0.00 N ATOM 863 NH2 ARG A 53 -5.807 12.697 0.147 1.00 0.00 N ATOM 0 H ARG A 53 -2.026 8.326 -1.991 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.878 9.917 -3.970 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.298 9.657 -3.616 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.187 10.376 -2.022 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.335 12.519 -3.278 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.972 11.753 -4.720 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.661 13.261 -3.759 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.224 11.604 -3.667 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.789 12.381 -1.245 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.946 12.616 -2.849 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -7.813 12.836 -1.326 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.935 12.619 0.671 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.688 12.837 0.641 1.00 0.00 H new ATOM 877 N ASP A 54 -0.688 11.279 -0.920 1.00 0.00 N ATOM 878 CA ASP A 54 -0.046 12.327 -0.094 1.00 0.00 C ATOM 879 C ASP A 54 1.455 12.049 0.103 1.00 0.00 C ATOM 880 O ASP A 54 2.300 12.905 -0.182 1.00 0.00 O ATOM 881 CB ASP A 54 -0.739 12.444 1.297 1.00 0.00 C ATOM 882 CG ASP A 54 -2.120 13.112 1.232 1.00 0.00 C ATOM 883 OD1 ASP A 54 -2.174 14.329 0.975 1.00 0.00 O ATOM 884 OD2 ASP A 54 -3.153 12.450 1.464 1.00 0.00 O ATOM 0 H ASP A 54 -1.304 10.661 -0.391 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.158 13.269 -0.630 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.844 11.448 1.728 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.098 13.015 1.968 1.00 0.00 H new ATOM 889 N GLU A 55 1.757 10.839 0.583 1.00 0.00 N ATOM 890 CA GLU A 55 3.092 10.467 1.080 1.00 0.00 C ATOM 891 C GLU A 55 4.082 10.180 -0.054 1.00 0.00 C ATOM 892 O GLU A 55 5.175 10.739 -0.065 1.00 0.00 O ATOM 893 CB GLU A 55 2.971 9.243 2.026 1.00 0.00 C ATOM 894 CG GLU A 55 2.164 9.502 3.312 1.00 0.00 C ATOM 895 CD GLU A 55 2.789 10.597 4.188 1.00 0.00 C ATOM 896 OE1 GLU A 55 3.746 10.303 4.941 1.00 0.00 O ATOM 897 OE2 GLU A 55 2.365 11.771 4.090 1.00 0.00 O ATOM 0 H GLU A 55 1.077 10.080 0.640 1.00 0.00 H new ATOM 0 HA GLU A 55 3.491 11.319 1.631 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.505 8.423 1.480 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.973 8.913 2.302 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.147 9.790 3.047 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.094 8.578 3.886 1.00 0.00 H new ATOM 904 N MET A 56 3.710 9.296 -0.994 1.00 0.00 N ATOM 905 CA MET A 56 4.600 8.906 -2.112 1.00 0.00 C ATOM 906 C MET A 56 4.504 9.925 -3.259 1.00 0.00 C ATOM 907 O MET A 56 5.451 10.086 -4.039 1.00 0.00 O ATOM 908 CB MET A 56 4.245 7.491 -2.651 1.00 0.00 C ATOM 909 CG MET A 56 4.368 6.392 -1.616 1.00 0.00 C ATOM 910 SD MET A 56 3.130 6.574 -0.326 1.00 0.00 S ATOM 911 CE MET A 56 3.940 5.759 1.008 1.00 0.00 C ATOM 0 H MET A 56 2.800 8.835 -1.006 1.00 0.00 H new ATOM 0 HA MET A 56 5.619 8.887 -1.726 1.00 0.00 H new ATOM 0 HB2 MET A 56 3.224 7.504 -3.033 1.00 0.00 H new ATOM 0 HB3 MET A 56 4.898 7.259 -3.493 1.00 0.00 H new ATOM 0 HG2 MET A 56 4.255 5.421 -2.098 1.00 0.00 H new ATOM 0 HG3 MET A 56 5.364 6.415 -1.174 1.00 0.00 H new ATOM 0 HE1 MET A 56 3.333 5.845 1.909 1.00 0.00 H new ATOM 0 HE2 MET A 56 4.077 4.706 0.762 1.00 0.00 H new ATOM 0 HE3 MET A 56 4.912 6.221 1.180 1.00 0.00 H new ATOM 921 N GLY A 57 3.353 10.619 -3.341 1.00 0.00 N ATOM 922 CA GLY A 57 3.037 11.465 -4.492 1.00 0.00 C ATOM 923 C GLY A 57 2.525 10.639 -5.665 1.00 0.00 C ATOM 924 O GLY A 57 2.639 11.052 -6.822 1.00 0.00 O ATOM 0 H GLY A 57 2.631 10.606 -2.621 1.00 0.00 H new ATOM 0 HA2 GLY A 57 2.286 12.202 -4.208 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.927 12.017 -4.795 1.00 0.00 H new ATOM 928 N VAL A 58 1.963 9.450 -5.350 1.00 0.00 N ATOM 929 CA VAL A 58 1.498 8.472 -6.353 1.00 0.00 C ATOM 930 C VAL A 58 0.033 8.107 -6.065 1.00 0.00 C ATOM 931 O VAL A 58 -0.275 7.506 -5.033 1.00 0.00 O ATOM 932 CB VAL A 58 2.381 7.156 -6.336 1.00 0.00 C ATOM 933 CG1 VAL A 58 1.887 6.113 -7.383 1.00 0.00 C ATOM 934 CG2 VAL A 58 3.887 7.483 -6.541 1.00 0.00 C ATOM 0 H VAL A 58 1.820 9.143 -4.388 1.00 0.00 H new ATOM 0 HA VAL A 58 1.589 8.927 -7.339 1.00 0.00 H new ATOM 0 HB VAL A 58 2.267 6.706 -5.350 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.519 5.226 -7.339 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.856 5.836 -7.162 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.940 6.547 -8.382 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.465 6.559 -6.524 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.024 7.980 -7.502 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.229 8.140 -5.741 1.00 0.00 H new ATOM 944 N SER A 59 -0.858 8.485 -6.986 1.00 0.00 N ATOM 945 CA SER A 59 -2.277 8.093 -6.935 1.00 0.00 C ATOM 946 C SER A 59 -2.456 6.753 -7.675 1.00 0.00 C ATOM 947 O SER A 59 -2.021 6.620 -8.823 1.00 0.00 O ATOM 948 CB SER A 59 -3.160 9.189 -7.579 1.00 0.00 C ATOM 949 OG SER A 59 -3.000 10.421 -6.902 1.00 0.00 O ATOM 0 H SER A 59 -0.621 9.070 -7.787 1.00 0.00 H new ATOM 0 HA SER A 59 -2.586 7.976 -5.896 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.893 9.308 -8.629 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.206 8.885 -7.549 1.00 0.00 H new ATOM 0 HG SER A 59 -3.564 11.102 -7.324 1.00 0.00 H new ATOM 955 N ILE A 60 -3.066 5.762 -6.998 1.00 0.00 N ATOM 956 CA ILE A 60 -3.346 4.453 -7.603 1.00 0.00 C ATOM 957 C ILE A 60 -4.673 4.566 -8.376 1.00 0.00 C ATOM 958 O ILE A 60 -5.712 4.833 -7.760 1.00 0.00 O ATOM 959 CB ILE A 60 -3.445 3.259 -6.557 1.00 0.00 C ATOM 960 CG1 ILE A 60 -2.140 3.103 -5.696 1.00 0.00 C ATOM 961 CG2 ILE A 60 -3.764 1.918 -7.285 1.00 0.00 C ATOM 962 CD1 ILE A 60 -1.909 4.192 -4.670 1.00 0.00 C ATOM 0 H ILE A 60 -3.374 5.847 -6.029 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.506 4.208 -8.253 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.259 3.506 -5.875 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.177 2.143 -5.181 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.282 3.072 -6.368 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.828 1.113 -6.553 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.715 2.007 -7.811 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.973 1.696 -8.001 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.984 3.992 -4.129 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.834 5.156 -5.173 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.742 4.213 -3.968 1.00 0.00 H new ATOM 974 N PRO A 61 -4.657 4.400 -9.734 1.00 0.00 N ATOM 975 CA PRO A 61 -5.896 4.437 -10.534 1.00 0.00 C ATOM 976 C PRO A 61 -6.774 3.193 -10.264 1.00 0.00 C ATOM 977 O PRO A 61 -6.264 2.130 -9.872 1.00 0.00 O ATOM 978 CB PRO A 61 -5.373 4.477 -11.991 1.00 0.00 C ATOM 979 CG PRO A 61 -4.034 3.806 -11.934 1.00 0.00 C ATOM 980 CD PRO A 61 -3.456 4.165 -10.584 1.00 0.00 C ATOM 0 HA PRO A 61 -6.539 5.285 -10.298 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.049 3.955 -12.669 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.287 5.502 -12.353 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -4.132 2.726 -12.044 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.388 4.151 -12.741 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.836 3.361 -10.187 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -2.827 5.053 -10.642 1.00 0.00 H new ATOM 988 N SER A 62 -8.090 3.348 -10.498 1.00 0.00 N ATOM 989 CA SER A 62 -9.099 2.289 -10.285 1.00 0.00 C ATOM 990 C SER A 62 -8.846 1.066 -11.203 1.00 0.00 C ATOM 991 O SER A 62 -9.221 -0.064 -10.865 1.00 0.00 O ATOM 992 CB SER A 62 -10.526 2.871 -10.488 1.00 0.00 C ATOM 993 OG SER A 62 -10.645 3.552 -11.726 1.00 0.00 O ATOM 0 H SER A 62 -8.489 4.221 -10.844 1.00 0.00 H new ATOM 0 HA SER A 62 -9.014 1.932 -9.259 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.257 2.064 -10.445 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.759 3.556 -9.672 1.00 0.00 H new ATOM 0 HG SER A 62 -11.555 3.903 -11.820 1.00 0.00 H new ATOM 999 N THR A 63 -8.161 1.305 -12.341 1.00 0.00 N ATOM 1000 CA THR A 63 -7.793 0.255 -13.306 1.00 0.00 C ATOM 1001 C THR A 63 -6.644 -0.644 -12.768 1.00 0.00 C ATOM 1002 O THR A 63 -6.423 -1.750 -13.274 1.00 0.00 O ATOM 1003 CB THR A 63 -7.393 0.889 -14.689 1.00 0.00 C ATOM 1004 OG1 THR A 63 -7.180 -0.136 -15.676 1.00 0.00 O ATOM 1005 CG2 THR A 63 -6.130 1.766 -14.593 1.00 0.00 C ATOM 0 H THR A 63 -7.848 2.236 -12.615 1.00 0.00 H new ATOM 0 HA THR A 63 -8.668 -0.378 -13.450 1.00 0.00 H new ATOM 0 HB THR A 63 -8.226 1.526 -14.987 1.00 0.00 H new ATOM 0 HG1 THR A 63 -6.934 0.278 -16.529 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.898 2.179 -15.575 1.00 0.00 H new ATOM 0 HG22 THR A 63 -6.305 2.580 -13.889 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.292 1.161 -14.247 1.00 0.00 H new ATOM 1013 N HIS A 64 -5.909 -0.152 -11.748 1.00 0.00 N ATOM 1014 CA HIS A 64 -4.783 -0.887 -11.114 1.00 0.00 C ATOM 1015 C HIS A 64 -5.179 -1.473 -9.747 1.00 0.00 C ATOM 1016 O HIS A 64 -4.316 -1.976 -9.018 1.00 0.00 O ATOM 1017 CB HIS A 64 -3.533 0.033 -10.977 1.00 0.00 C ATOM 1018 CG HIS A 64 -2.711 0.113 -12.230 1.00 0.00 C ATOM 1019 ND1 HIS A 64 -3.055 0.877 -13.318 1.00 0.00 N ATOM 1020 CD2 HIS A 64 -1.562 -0.512 -12.564 1.00 0.00 C ATOM 1021 CE1 HIS A 64 -2.155 0.716 -14.259 1.00 0.00 C ATOM 1022 NE2 HIS A 64 -1.221 -0.106 -13.828 1.00 0.00 N ATOM 0 H HIS A 64 -6.076 0.767 -11.337 1.00 0.00 H new ATOM 0 HA HIS A 64 -4.531 -1.723 -11.766 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -3.858 1.036 -10.700 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -2.907 -0.335 -10.164 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -1.011 -1.206 -11.947 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -2.177 1.183 -15.232 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -0.389 -0.391 -14.345 1.00 0.00 H new ATOM 1031 N ILE A 65 -6.478 -1.416 -9.400 1.00 0.00 N ATOM 1032 CA ILE A 65 -6.986 -2.039 -8.167 1.00 0.00 C ATOM 1033 C ILE A 65 -7.221 -3.528 -8.441 1.00 0.00 C ATOM 1034 O ILE A 65 -8.243 -3.923 -9.014 1.00 0.00 O ATOM 1035 CB ILE A 65 -8.299 -1.356 -7.623 1.00 0.00 C ATOM 1036 CG1 ILE A 65 -8.072 0.177 -7.407 1.00 0.00 C ATOM 1037 CG2 ILE A 65 -8.785 -2.037 -6.308 1.00 0.00 C ATOM 1038 CD1 ILE A 65 -6.977 0.533 -6.420 1.00 0.00 C ATOM 0 H ILE A 65 -7.192 -0.946 -9.956 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.239 -1.904 -7.385 1.00 0.00 H new ATOM 0 HB ILE A 65 -9.081 -1.485 -8.371 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.835 0.632 -8.369 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -9.006 0.622 -7.065 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -9.692 -1.545 -5.957 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -8.994 -3.089 -6.499 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -8.009 -1.954 -5.547 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.898 1.617 -6.340 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -7.217 0.114 -5.443 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -6.028 0.124 -6.767 1.00 0.00 H new ATOM 1050 N THR A 66 -6.212 -4.325 -8.100 1.00 0.00 N ATOM 1051 CA THR A 66 -6.262 -5.784 -8.204 1.00 0.00 C ATOM 1052 C THR A 66 -5.446 -6.390 -7.059 1.00 0.00 C ATOM 1053 O THR A 66 -4.446 -5.807 -6.605 1.00 0.00 O ATOM 1054 CB THR A 66 -5.745 -6.313 -9.594 1.00 0.00 C ATOM 1055 OG1 THR A 66 -5.751 -7.752 -9.623 1.00 0.00 O ATOM 1056 CG2 THR A 66 -4.335 -5.806 -9.927 1.00 0.00 C ATOM 0 H THR A 66 -5.325 -3.973 -7.739 1.00 0.00 H new ATOM 0 HA THR A 66 -7.305 -6.093 -8.130 1.00 0.00 H new ATOM 0 HB THR A 66 -6.429 -5.924 -10.348 1.00 0.00 H new ATOM 0 HG1 THR A 66 -5.428 -8.063 -10.495 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.026 -6.200 -10.895 1.00 0.00 H new ATOM 0 HG22 THR A 66 -4.339 -4.717 -9.963 1.00 0.00 H new ATOM 0 HG23 THR A 66 -3.637 -6.141 -9.160 1.00 0.00 H new ATOM 1064 N GLY A 67 -5.872 -7.582 -6.627 1.00 0.00 N ATOM 1065 CA GLY A 67 -5.267 -8.276 -5.498 1.00 0.00 C ATOM 1066 C GLY A 67 -3.868 -8.814 -5.774 1.00 0.00 C ATOM 1067 O GLY A 67 -3.186 -9.264 -4.859 1.00 0.00 O ATOM 0 H GLY A 67 -6.647 -8.089 -7.055 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.221 -7.594 -4.649 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -5.912 -9.105 -5.207 1.00 0.00 H new ATOM 1071 N LYS A 68 -3.472 -8.770 -7.048 1.00 0.00 N ATOM 1072 CA LYS A 68 -2.113 -9.077 -7.510 1.00 0.00 C ATOM 1073 C LYS A 68 -1.083 -8.094 -6.900 1.00 0.00 C ATOM 1074 O LYS A 68 -0.002 -8.502 -6.448 1.00 0.00 O ATOM 1075 CB LYS A 68 -2.116 -8.990 -9.060 1.00 0.00 C ATOM 1076 CG LYS A 68 -0.757 -9.219 -9.744 1.00 0.00 C ATOM 1077 CD LYS A 68 -0.859 -9.099 -11.283 1.00 0.00 C ATOM 1078 CE LYS A 68 0.488 -9.317 -11.977 1.00 0.00 C ATOM 1079 NZ LYS A 68 0.369 -9.244 -13.450 1.00 0.00 N ATOM 0 H LYS A 68 -4.102 -8.513 -7.808 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.821 -10.077 -7.188 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.824 -9.724 -9.445 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.487 -8.007 -9.350 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -0.035 -8.493 -9.370 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.380 -10.207 -9.481 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.578 -9.829 -11.655 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.243 -8.113 -11.543 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.199 -8.566 -11.633 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.889 -10.290 -11.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.303 -9.397 -13.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.290 -9.977 -13.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.011 -8.307 -13.723 1.00 0.00 H new ATOM 1093 N TYR A 69 -1.454 -6.800 -6.876 1.00 0.00 N ATOM 1094 CA TYR A 69 -0.595 -5.712 -6.364 1.00 0.00 C ATOM 1095 C TYR A 69 -0.774 -5.551 -4.849 1.00 0.00 C ATOM 1096 O TYR A 69 0.195 -5.351 -4.113 1.00 0.00 O ATOM 1097 CB TYR A 69 -0.937 -4.379 -7.081 1.00 0.00 C ATOM 1098 CG TYR A 69 -0.776 -4.394 -8.612 1.00 0.00 C ATOM 1099 CD1 TYR A 69 0.133 -5.244 -9.251 1.00 0.00 C ATOM 1100 CD2 TYR A 69 -1.546 -3.549 -9.412 1.00 0.00 C ATOM 1101 CE1 TYR A 69 0.259 -5.247 -10.626 1.00 0.00 C ATOM 1102 CE2 TYR A 69 -1.421 -3.552 -10.779 1.00 0.00 C ATOM 1103 CZ TYR A 69 -0.521 -4.398 -11.380 1.00 0.00 C ATOM 1104 OH TYR A 69 -0.398 -4.389 -12.748 1.00 0.00 O ATOM 0 H TYR A 69 -2.361 -6.477 -7.212 1.00 0.00 H new ATOM 0 HA TYR A 69 0.445 -5.970 -6.567 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -1.967 -4.112 -6.843 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -0.301 -3.593 -6.673 1.00 0.00 H new ATOM 0 HD1 TYR A 69 0.746 -5.908 -8.660 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -2.254 -2.879 -8.947 1.00 0.00 H new ATOM 0 HE1 TYR A 69 0.963 -5.910 -11.107 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -2.028 -2.891 -11.380 1.00 0.00 H new ATOM 0 HH TYR A 69 -1.020 -3.734 -13.128 1.00 0.00 H new ATOM 1114 N PHE A 70 -2.031 -5.670 -4.394 1.00 0.00 N ATOM 1115 CA PHE A 70 -2.401 -5.508 -2.971 1.00 0.00 C ATOM 1116 C PHE A 70 -2.205 -6.811 -2.159 1.00 0.00 C ATOM 1117 O PHE A 70 -2.623 -6.904 -1.003 1.00 0.00 O ATOM 1118 CB PHE A 70 -3.854 -4.969 -2.895 1.00 0.00 C ATOM 1119 CG PHE A 70 -3.961 -3.513 -3.376 1.00 0.00 C ATOM 1120 CD1 PHE A 70 -3.740 -2.454 -2.493 1.00 0.00 C ATOM 1121 CD2 PHE A 70 -4.238 -3.206 -4.713 1.00 0.00 C ATOM 1122 CE1 PHE A 70 -3.796 -1.139 -2.927 1.00 0.00 C ATOM 1123 CE2 PHE A 70 -4.290 -1.892 -5.147 1.00 0.00 C ATOM 1124 CZ PHE A 70 -4.069 -0.858 -4.254 1.00 0.00 C ATOM 0 H PHE A 70 -2.824 -5.882 -5.000 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.731 -4.785 -2.506 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -4.505 -5.599 -3.501 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -4.211 -5.037 -1.868 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -3.522 -2.663 -1.456 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -4.414 -4.006 -5.417 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.626 -0.333 -2.229 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.503 -1.674 -6.183 1.00 0.00 H new ATOM 0 HZ PHE A 70 -4.110 0.167 -4.592 1.00 0.00 H new ATOM 1134 N LYS A 71 -1.513 -7.775 -2.786 1.00 0.00 N ATOM 1135 CA LYS A 71 -1.132 -9.070 -2.200 1.00 0.00 C ATOM 1136 C LYS A 71 -0.217 -8.878 -0.970 1.00 0.00 C ATOM 1137 O LYS A 71 -0.523 -9.369 0.120 1.00 0.00 O ATOM 1138 CB LYS A 71 -0.421 -9.878 -3.316 1.00 0.00 C ATOM 1139 CG LYS A 71 0.120 -11.263 -2.916 1.00 0.00 C ATOM 1140 CD LYS A 71 0.822 -11.990 -4.092 1.00 0.00 C ATOM 1141 CE LYS A 71 1.870 -11.103 -4.798 1.00 0.00 C ATOM 1142 NZ LYS A 71 2.709 -11.861 -5.752 1.00 0.00 N ATOM 0 H LYS A 71 -1.192 -7.671 -3.749 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.011 -9.606 -1.843 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -1.120 -10.009 -4.142 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.410 -9.282 -3.694 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.824 -11.150 -2.091 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.702 -11.879 -2.551 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.307 -12.892 -3.719 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.073 -12.308 -4.817 1.00 0.00 H new ATOM 0 HE2 LYS A 71 1.361 -10.298 -5.328 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.510 -10.637 -4.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.395 -11.219 -6.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 3.218 -12.613 -5.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.105 -12.285 -6.485 1.00 0.00 H new ATOM 1156 N ASP A 72 0.873 -8.113 -1.159 1.00 0.00 N ATOM 1157 CA ASP A 72 1.875 -7.813 -0.111 1.00 0.00 C ATOM 1158 C ASP A 72 2.574 -6.477 -0.427 1.00 0.00 C ATOM 1159 O ASP A 72 2.383 -5.933 -1.515 1.00 0.00 O ATOM 1160 CB ASP A 72 2.924 -8.962 0.030 1.00 0.00 C ATOM 1161 CG ASP A 72 3.612 -9.343 -1.295 1.00 0.00 C ATOM 1162 OD1 ASP A 72 4.478 -8.586 -1.760 1.00 0.00 O ATOM 1163 OD2 ASP A 72 3.293 -10.404 -1.872 1.00 0.00 O ATOM 0 H ASP A 72 1.089 -7.678 -2.056 1.00 0.00 H new ATOM 0 HA ASP A 72 1.355 -7.731 0.843 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.685 -8.660 0.750 1.00 0.00 H new ATOM 0 HB3 ASP A 72 2.430 -9.844 0.439 1.00 0.00 H new ATOM 1168 N LEU A 73 3.413 -5.983 0.513 1.00 0.00 N ATOM 1169 CA LEU A 73 4.124 -4.681 0.374 1.00 0.00 C ATOM 1170 C LEU A 73 5.137 -4.665 -0.767 1.00 0.00 C ATOM 1171 O LEU A 73 5.413 -3.594 -1.311 1.00 0.00 O ATOM 1172 CB LEU A 73 4.876 -4.296 1.670 1.00 0.00 C ATOM 1173 CG LEU A 73 4.030 -3.799 2.864 1.00 0.00 C ATOM 1174 CD1 LEU A 73 4.962 -3.479 4.048 1.00 0.00 C ATOM 1175 CD2 LEU A 73 3.176 -2.570 2.467 1.00 0.00 C ATOM 0 H LEU A 73 3.618 -6.469 1.386 1.00 0.00 H new ATOM 0 HA LEU A 73 3.335 -3.960 0.159 1.00 0.00 H new ATOM 0 HB2 LEU A 73 5.445 -5.165 2.000 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.598 -3.518 1.422 1.00 0.00 H new ATOM 0 HG LEU A 73 3.336 -4.584 3.165 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.370 -3.128 4.893 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.507 -4.378 4.336 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.670 -2.704 3.755 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.591 -2.241 3.326 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.831 -1.761 2.143 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.504 -2.841 1.653 1.00 0.00 H new ATOM 1187 N ASN A 74 5.735 -5.817 -1.079 1.00 0.00 N ATOM 1188 CA ASN A 74 6.721 -5.906 -2.166 1.00 0.00 C ATOM 1189 C ASN A 74 6.020 -5.633 -3.513 1.00 0.00 C ATOM 1190 O ASN A 74 6.538 -4.912 -4.376 1.00 0.00 O ATOM 1191 CB ASN A 74 7.395 -7.296 -2.192 1.00 0.00 C ATOM 1192 CG ASN A 74 8.024 -7.680 -0.857 1.00 0.00 C ATOM 1193 OD1 ASN A 74 7.412 -8.361 -0.038 1.00 0.00 O ATOM 1194 ND2 ASN A 74 9.238 -7.234 -0.630 1.00 0.00 N ATOM 0 H ASN A 74 5.557 -6.699 -0.599 1.00 0.00 H new ATOM 0 HA ASN A 74 7.497 -5.160 -1.996 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.655 -8.047 -2.468 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.163 -7.307 -2.965 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.704 -7.451 0.251 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.715 -6.671 -1.335 1.00 0.00 H new ATOM 1201 N ALA A 75 4.801 -6.194 -3.631 1.00 0.00 N ATOM 1202 CA ALA A 75 3.933 -6.059 -4.805 1.00 0.00 C ATOM 1203 C ALA A 75 3.301 -4.648 -4.869 1.00 0.00 C ATOM 1204 O ALA A 75 3.079 -4.113 -5.964 1.00 0.00 O ATOM 1205 CB ALA A 75 2.860 -7.156 -4.771 1.00 0.00 C ATOM 0 H ALA A 75 4.388 -6.765 -2.894 1.00 0.00 H new ATOM 0 HA ALA A 75 4.529 -6.181 -5.709 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.213 -7.059 -5.642 1.00 0.00 H new ATOM 0 HB2 ALA A 75 3.340 -8.135 -4.783 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.265 -7.055 -3.864 1.00 0.00 H new ATOM 1211 N ILE A 76 3.014 -4.068 -3.679 1.00 0.00 N ATOM 1212 CA ILE A 76 2.566 -2.665 -3.542 1.00 0.00 C ATOM 1213 C ILE A 76 3.650 -1.722 -4.087 1.00 0.00 C ATOM 1214 O ILE A 76 3.401 -0.947 -5.002 1.00 0.00 O ATOM 1215 CB ILE A 76 2.257 -2.275 -2.032 1.00 0.00 C ATOM 1216 CG1 ILE A 76 1.023 -3.051 -1.477 1.00 0.00 C ATOM 1217 CG2 ILE A 76 2.059 -0.740 -1.857 1.00 0.00 C ATOM 1218 CD1 ILE A 76 -0.299 -2.667 -2.108 1.00 0.00 C ATOM 0 H ILE A 76 3.087 -4.561 -2.789 1.00 0.00 H new ATOM 0 HA ILE A 76 1.643 -2.563 -4.112 1.00 0.00 H new ATOM 0 HB ILE A 76 3.131 -2.568 -1.450 1.00 0.00 H new ATOM 0 HG12 ILE A 76 1.185 -4.119 -1.625 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.959 -2.885 -0.402 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.850 -0.517 -0.811 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.965 -0.219 -2.165 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.223 -0.408 -2.473 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.100 -3.256 -1.662 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.489 -1.607 -1.937 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.260 -2.861 -3.180 1.00 0.00 H new ATOM 1230 N SER A 77 4.865 -1.863 -3.537 1.00 0.00 N ATOM 1231 CA SER A 77 5.990 -0.935 -3.764 1.00 0.00 C ATOM 1232 C SER A 77 6.412 -0.951 -5.226 1.00 0.00 C ATOM 1233 O SER A 77 6.679 0.103 -5.811 1.00 0.00 O ATOM 1234 CB SER A 77 7.196 -1.333 -2.882 1.00 0.00 C ATOM 1235 OG SER A 77 8.293 -0.439 -3.031 1.00 0.00 O ATOM 0 H SER A 77 5.100 -2.635 -2.913 1.00 0.00 H new ATOM 0 HA SER A 77 5.660 0.069 -3.499 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.887 -1.355 -1.837 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.515 -2.343 -3.141 1.00 0.00 H new ATOM 0 HG SER A 77 9.031 -0.728 -2.455 1.00 0.00 H new ATOM 1241 N ARG A 78 6.436 -2.166 -5.806 1.00 0.00 N ATOM 1242 CA ARG A 78 6.910 -2.379 -7.172 1.00 0.00 C ATOM 1243 C ARG A 78 5.936 -1.768 -8.193 1.00 0.00 C ATOM 1244 O ARG A 78 6.364 -1.250 -9.234 1.00 0.00 O ATOM 1245 CB ARG A 78 7.150 -3.885 -7.447 1.00 0.00 C ATOM 1246 CG ARG A 78 5.902 -4.735 -7.739 1.00 0.00 C ATOM 1247 CD ARG A 78 6.244 -6.217 -7.940 1.00 0.00 C ATOM 1248 NE ARG A 78 7.260 -6.408 -8.995 1.00 0.00 N ATOM 1249 CZ ARG A 78 7.486 -7.545 -9.660 1.00 0.00 C ATOM 1250 NH1 ARG A 78 6.775 -8.635 -9.408 1.00 0.00 N ATOM 1251 NH2 ARG A 78 8.461 -7.594 -10.544 1.00 0.00 N ATOM 0 H ARG A 78 6.128 -3.018 -5.338 1.00 0.00 H new ATOM 0 HA ARG A 78 7.866 -1.868 -7.283 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.829 -3.973 -8.295 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.660 -4.313 -6.584 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.196 -4.635 -6.915 1.00 0.00 H new ATOM 0 HG3 ARG A 78 5.406 -4.354 -8.632 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.610 -6.636 -7.003 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.340 -6.766 -8.203 1.00 0.00 H new ATOM 0 HE ARG A 78 7.839 -5.603 -9.237 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.043 -8.614 -8.698 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.960 -9.495 -9.924 1.00 0.00 H new ATOM 0 HH21 ARG A 78 9.036 -6.769 -10.716 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.642 -8.457 -11.057 1.00 0.00 H new ATOM 1265 N THR A 79 4.621 -1.800 -7.880 1.00 0.00 N ATOM 1266 CA THR A 79 3.607 -1.195 -8.748 1.00 0.00 C ATOM 1267 C THR A 79 3.521 0.318 -8.470 1.00 0.00 C ATOM 1268 O THR A 79 3.074 1.045 -9.320 1.00 0.00 O ATOM 1269 CB THR A 79 2.188 -1.872 -8.643 1.00 0.00 C ATOM 1270 OG1 THR A 79 1.407 -1.538 -9.807 1.00 0.00 O ATOM 1271 CG2 THR A 79 1.402 -1.436 -7.399 1.00 0.00 C ATOM 0 H THR A 79 4.247 -2.237 -7.037 1.00 0.00 H new ATOM 0 HA THR A 79 3.930 -1.366 -9.775 1.00 0.00 H new ATOM 0 HB THR A 79 2.362 -2.946 -8.570 1.00 0.00 H new ATOM 0 HG1 THR A 79 0.598 -2.090 -9.827 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.434 -1.938 -7.386 1.00 0.00 H new ATOM 0 HG22 THR A 79 1.962 -1.704 -6.503 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.251 -0.357 -7.424 1.00 0.00 H new ATOM 1279 N VAL A 80 3.946 0.774 -7.271 1.00 0.00 N ATOM 1280 CA VAL A 80 4.044 2.223 -6.955 1.00 0.00 C ATOM 1281 C VAL A 80 5.175 2.853 -7.794 1.00 0.00 C ATOM 1282 O VAL A 80 5.046 3.988 -8.242 1.00 0.00 O ATOM 1283 CB VAL A 80 4.264 2.481 -5.403 1.00 0.00 C ATOM 1284 CG1 VAL A 80 4.716 3.941 -5.092 1.00 0.00 C ATOM 1285 CG2 VAL A 80 2.986 2.125 -4.593 1.00 0.00 C ATOM 0 H VAL A 80 4.227 0.163 -6.504 1.00 0.00 H new ATOM 0 HA VAL A 80 3.098 2.698 -7.214 1.00 0.00 H new ATOM 0 HB VAL A 80 5.075 1.822 -5.093 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.851 4.059 -4.017 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.658 4.146 -5.600 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.956 4.639 -5.441 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.163 2.311 -3.534 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.155 2.741 -4.935 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.743 1.073 -4.741 1.00 0.00 H new ATOM 1295 N GLU A 81 6.264 2.087 -8.012 1.00 0.00 N ATOM 1296 CA GLU A 81 7.379 2.489 -8.901 1.00 0.00 C ATOM 1297 C GLU A 81 6.906 2.545 -10.374 1.00 0.00 C ATOM 1298 O GLU A 81 7.263 3.466 -11.126 1.00 0.00 O ATOM 1299 CB GLU A 81 8.554 1.487 -8.754 1.00 0.00 C ATOM 1300 CG GLU A 81 9.162 1.431 -7.336 1.00 0.00 C ATOM 1301 CD GLU A 81 10.257 0.355 -7.186 1.00 0.00 C ATOM 1302 OE1 GLU A 81 9.932 -0.812 -6.864 1.00 0.00 O ATOM 1303 OE2 GLU A 81 11.451 0.671 -7.392 1.00 0.00 O ATOM 0 H GLU A 81 6.397 1.173 -7.578 1.00 0.00 H new ATOM 0 HA GLU A 81 7.718 3.483 -8.611 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.204 0.491 -9.027 1.00 0.00 H new ATOM 0 HB3 GLU A 81 9.337 1.756 -9.463 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.583 2.406 -7.090 1.00 0.00 H new ATOM 0 HG3 GLU A 81 8.368 1.235 -6.615 1.00 0.00 H new ATOM 1310 N GLN A 82 6.095 1.540 -10.752 1.00 0.00 N ATOM 1311 CA GLN A 82 5.472 1.438 -12.094 1.00 0.00 C ATOM 1312 C GLN A 82 4.486 2.605 -12.329 1.00 0.00 C ATOM 1313 O GLN A 82 4.494 3.228 -13.388 1.00 0.00 O ATOM 1314 CB GLN A 82 4.756 0.060 -12.234 1.00 0.00 C ATOM 1315 CG GLN A 82 3.909 -0.139 -13.517 1.00 0.00 C ATOM 1316 CD GLN A 82 4.700 -0.041 -14.832 1.00 0.00 C ATOM 1317 OE1 GLN A 82 5.879 -0.400 -14.902 1.00 0.00 O ATOM 1318 NE2 GLN A 82 4.051 0.453 -15.881 1.00 0.00 N ATOM 0 H GLN A 82 5.849 0.767 -10.133 1.00 0.00 H new ATOM 0 HA GLN A 82 6.249 1.507 -12.855 1.00 0.00 H new ATOM 0 HB2 GLN A 82 5.511 -0.725 -12.196 1.00 0.00 H new ATOM 0 HB3 GLN A 82 4.107 -0.080 -11.369 1.00 0.00 H new ATOM 0 HG2 GLN A 82 3.428 -1.116 -13.470 1.00 0.00 H new ATOM 0 HG3 GLN A 82 3.114 0.607 -13.531 1.00 0.00 H new ATOM 0 HE21 GLN A 82 3.077 0.740 -15.789 1.00 0.00 H new ATOM 0 HE22 GLN A 82 4.527 0.545 -16.778 1.00 0.00 H new ATOM 1327 N LEU A 83 3.687 2.908 -11.301 1.00 0.00 N ATOM 1328 CA LEU A 83 2.651 3.966 -11.321 1.00 0.00 C ATOM 1329 C LEU A 83 3.301 5.347 -11.243 1.00 0.00 C ATOM 1330 O LEU A 83 2.746 6.312 -11.751 1.00 0.00 O ATOM 1331 CB LEU A 83 1.643 3.762 -10.139 1.00 0.00 C ATOM 1332 CG LEU A 83 0.386 2.872 -10.424 1.00 0.00 C ATOM 1333 CD1 LEU A 83 0.735 1.601 -11.215 1.00 0.00 C ATOM 1334 CD2 LEU A 83 -0.357 2.528 -9.109 1.00 0.00 C ATOM 0 H LEU A 83 3.737 2.418 -10.408 1.00 0.00 H new ATOM 0 HA LEU A 83 2.100 3.898 -12.259 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.186 3.323 -9.302 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.297 4.744 -9.815 1.00 0.00 H new ATOM 0 HG LEU A 83 -0.284 3.458 -11.053 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.171 1.019 -11.386 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.175 1.878 -12.173 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.448 1.003 -10.647 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -1.226 1.909 -9.333 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.314 1.984 -8.444 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.682 3.448 -8.623 1.00 0.00 H new ATOM 1346 N LYS A 84 4.471 5.421 -10.600 1.00 0.00 N ATOM 1347 CA LYS A 84 5.258 6.657 -10.520 1.00 0.00 C ATOM 1348 C LYS A 84 5.846 6.969 -11.904 1.00 0.00 C ATOM 1349 O LYS A 84 5.957 8.131 -12.279 1.00 0.00 O ATOM 1350 CB LYS A 84 6.373 6.525 -9.451 1.00 0.00 C ATOM 1351 CG LYS A 84 7.169 7.821 -9.182 1.00 0.00 C ATOM 1352 CD LYS A 84 8.124 7.692 -7.970 1.00 0.00 C ATOM 1353 CE LYS A 84 9.173 6.576 -8.145 1.00 0.00 C ATOM 1354 NZ LYS A 84 10.081 6.846 -9.291 1.00 0.00 N ATOM 0 H LYS A 84 4.899 4.628 -10.121 1.00 0.00 H new ATOM 0 HA LYS A 84 4.613 7.482 -10.217 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.923 6.191 -8.516 1.00 0.00 H new ATOM 0 HB3 LYS A 84 7.068 5.747 -9.766 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.747 8.079 -10.069 1.00 0.00 H new ATOM 0 HG3 LYS A 84 6.473 8.641 -9.006 1.00 0.00 H new ATOM 0 HD2 LYS A 84 8.635 8.642 -7.815 1.00 0.00 H new ATOM 0 HD3 LYS A 84 7.538 7.495 -7.072 1.00 0.00 H new ATOM 0 HE2 LYS A 84 9.759 6.482 -7.231 1.00 0.00 H new ATOM 0 HE3 LYS A 84 8.667 5.623 -8.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 10.813 6.109 -9.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 9.534 6.843 -10.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 10.532 7.775 -9.165 1.00 0.00 H new ATOM 1368 N ALA A 85 6.191 5.898 -12.657 1.00 0.00 N ATOM 1369 CA ALA A 85 6.651 6.004 -14.052 1.00 0.00 C ATOM 1370 C ALA A 85 5.481 6.408 -14.968 1.00 0.00 C ATOM 1371 O ALA A 85 5.641 7.231 -15.865 1.00 0.00 O ATOM 1372 CB ALA A 85 7.286 4.676 -14.513 1.00 0.00 C ATOM 0 H ALA A 85 6.157 4.939 -12.310 1.00 0.00 H new ATOM 0 HA ALA A 85 7.415 6.779 -14.114 1.00 0.00 H new ATOM 0 HB1 ALA A 85 7.620 4.772 -15.546 1.00 0.00 H new ATOM 0 HB2 ALA A 85 8.138 4.440 -13.876 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.548 3.876 -14.443 1.00 0.00 H new ATOM 1378 N GLU A 86 4.294 5.829 -14.705 1.00 0.00 N ATOM 1379 CA GLU A 86 3.057 6.141 -15.451 1.00 0.00 C ATOM 1380 C GLU A 86 2.618 7.609 -15.220 1.00 0.00 C ATOM 1381 O GLU A 86 2.123 8.263 -16.141 1.00 0.00 O ATOM 1382 CB GLU A 86 1.922 5.155 -15.050 1.00 0.00 C ATOM 1383 CG GLU A 86 2.145 3.699 -15.533 1.00 0.00 C ATOM 1384 CD GLU A 86 0.985 2.736 -15.206 1.00 0.00 C ATOM 1385 OE1 GLU A 86 -0.171 3.053 -15.564 1.00 0.00 O ATOM 1386 OE2 GLU A 86 1.224 1.636 -14.644 1.00 0.00 O ATOM 0 H GLU A 86 4.164 5.133 -13.971 1.00 0.00 H new ATOM 0 HA GLU A 86 3.262 6.021 -16.515 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.823 5.155 -13.965 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.979 5.520 -15.456 1.00 0.00 H new ATOM 0 HG2 GLU A 86 2.302 3.707 -16.612 1.00 0.00 H new ATOM 0 HG3 GLU A 86 3.059 3.315 -15.080 1.00 0.00 H new ATOM 1393 N SER A 87 2.820 8.105 -13.985 1.00 0.00 N ATOM 1394 CA SER A 87 2.469 9.486 -13.593 1.00 0.00 C ATOM 1395 C SER A 87 3.556 10.498 -14.029 1.00 0.00 C ATOM 1396 O SER A 87 3.242 11.661 -14.304 1.00 0.00 O ATOM 1397 CB SER A 87 2.228 9.560 -12.065 1.00 0.00 C ATOM 1398 OG SER A 87 1.154 8.714 -11.670 1.00 0.00 O ATOM 0 H SER A 87 3.232 7.559 -13.228 1.00 0.00 H new ATOM 0 HA SER A 87 1.549 9.759 -14.109 1.00 0.00 H new ATOM 0 HB2 SER A 87 3.136 9.269 -11.537 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.008 10.588 -11.779 1.00 0.00 H new ATOM 0 HG SER A 87 1.468 7.787 -11.625 1.00 0.00 H new ATOM 1404 N ALA A 88 4.827 10.051 -14.100 1.00 0.00 N ATOM 1405 CA ALA A 88 5.955 10.908 -14.539 1.00 0.00 C ATOM 1406 C ALA A 88 5.915 11.122 -16.062 1.00 0.00 C ATOM 1407 O ALA A 88 6.292 12.187 -16.561 1.00 0.00 O ATOM 1408 CB ALA A 88 7.303 10.300 -14.116 1.00 0.00 C ATOM 0 H ALA A 88 5.101 9.099 -13.859 1.00 0.00 H new ATOM 0 HA ALA A 88 5.851 11.878 -14.052 1.00 0.00 H new ATOM 0 HB1 ALA A 88 8.115 10.947 -14.449 1.00 0.00 H new ATOM 0 HB2 ALA A 88 7.336 10.207 -13.030 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.415 9.315 -14.568 1.00 0.00 H new ATOM 1414 N LEU A 89 5.452 10.092 -16.792 1.00 0.00 N ATOM 1415 CA LEU A 89 5.277 10.133 -18.256 1.00 0.00 C ATOM 1416 C LEU A 89 3.821 10.507 -18.638 1.00 0.00 C ATOM 1417 O LEU A 89 3.449 10.404 -19.804 1.00 0.00 O ATOM 1418 CB LEU A 89 5.682 8.759 -18.892 1.00 0.00 C ATOM 1419 CG LEU A 89 7.223 8.449 -19.011 1.00 0.00 C ATOM 1420 CD1 LEU A 89 7.937 8.357 -17.640 1.00 0.00 C ATOM 1421 CD2 LEU A 89 7.459 7.173 -19.852 1.00 0.00 C ATOM 0 H LEU A 89 5.186 9.198 -16.379 1.00 0.00 H new ATOM 0 HA LEU A 89 5.933 10.908 -18.654 1.00 0.00 H new ATOM 0 HB2 LEU A 89 5.222 7.965 -18.304 1.00 0.00 H new ATOM 0 HB3 LEU A 89 5.249 8.708 -19.891 1.00 0.00 H new ATOM 0 HG LEU A 89 7.672 9.298 -19.526 1.00 0.00 H new ATOM 0 HD11 LEU A 89 8.994 8.142 -17.794 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.833 9.304 -17.111 1.00 0.00 H new ATOM 0 HD13 LEU A 89 7.487 7.560 -17.048 1.00 0.00 H new ATOM 0 HD21 LEU A 89 8.529 6.976 -19.922 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.965 6.326 -19.375 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.050 7.316 -20.852 1.00 0.00 H new ATOM 1433 N GLU A 90 3.011 10.948 -17.653 1.00 0.00 N ATOM 1434 CA GLU A 90 1.620 11.385 -17.901 1.00 0.00 C ATOM 1435 C GLU A 90 1.650 12.822 -18.478 1.00 0.00 C ATOM 1436 CB GLU A 90 0.775 11.284 -16.584 1.00 0.00 C ATOM 1437 CG GLU A 90 -0.766 11.409 -16.759 1.00 0.00 C ATOM 1438 CD GLU A 90 -1.292 12.854 -16.889 1.00 0.00 C ATOM 1439 OE1 GLU A 90 -1.335 13.571 -15.861 1.00 0.00 O ATOM 1440 OE2 GLU A 90 -1.664 13.285 -18.004 1.00 0.00 O ATOM 0 H GLU A 90 3.297 11.011 -16.676 1.00 0.00 H new ATOM 0 HA GLU A 90 1.137 10.734 -18.629 1.00 0.00 H new ATOM 0 HB2 GLU A 90 0.992 10.328 -16.108 1.00 0.00 H new ATOM 0 HB3 GLU A 90 1.109 12.064 -15.899 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -1.062 10.849 -17.646 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -1.253 10.936 -15.906 1.00 0.00 H new