USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 713 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 71 LYS NZ :NH3+ -176:sc= -0.991 (180deg=-0.854) USER MOD Set 1.2: A 72 HIS : no HD1:sc= -1.87 X(o=-2.9,f=-2.8) USER MOD Set 2.1: A 55 HIS : no HD1:sc= -3.23 K(o=-3.2,f=-4.3!) USER MOD Set 2.2: A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -145:sc= -0.193 (180deg=-0.803) USER MOD Single : A 1 MET N :NH3+ -163:sc= -0.0514 (180deg=-0.52) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00856 USER MOD Single : A 5 LYS NZ :NH3+ 168:sc= -0.0418 (180deg=-0.219) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -1.64 K(o=-1.6,f=-0.15) USER MOD Single : A 13 MET CE :methyl 139:sc= -5.82! (180deg=-8.38!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 160:sc= -5.44! (180deg=-8.2!) USER MOD Single : A 18 GLN : amide:sc= -7.73! C(o=-7.7!,f=-17!) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 CYS SG : rot 25:sc= -2.6 USER MOD Single : A 26 THR OG1 : rot 94:sc= 1.1 USER MOD Single : A 27 GLN : amide:sc= -3.27 K(o=-3.3,f=-0.81) USER MOD Single : A 29 MET CE :methyl 166:sc= -1.93! (180deg=-2.07) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= -0.898 USER MOD Single : A 33 ASN : amide:sc= -1.57 K(o=-1.6,f=-0.24) USER MOD Single : A 36 LYS NZ :NH3+ -166:sc= -0.0398 (180deg=-0.3) USER MOD Single : A 41 TYR OH : rot -52:sc= 0.0328 USER MOD Single : A 43 LYS NZ :NH3+ -143:sc= -2.42! (180deg=-4.57!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 167:sc= -0.0383 (180deg=-0.241) USER MOD Single : A 49 LYS NZ :NH3+ -135:sc= -0.0358 (180deg=-0.262) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -1.76! C(o=-1.8!,f=-2.9!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0945 USER MOD Single : A 56 CYS SG : rot -120:sc= -2.22 USER MOD Single : A 61 ASN : amide:sc= -4.54! K(o=-4.5!,f=-1) USER MOD Single : A 64 SER OG : rot 53:sc= 0.417 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.562 X(o=-0.56,f=-0.56) USER MOD Single : A 70 THR OG1 : rot -2:sc= 0.764 USER MOD Single : A 75 TYR OH : rot -30:sc= 0.918 USER MOD Single : A 77 TYR OH : rot 180:sc= -0.738 USER MOD Single : A 80 GLN : amide:sc= -5.99! C(o=-6!,f=-5.8!) USER MOD Single : A 87 LYS NZ :NH3+ 134:sc= -0.125 (180deg=-0.555) USER MOD Single : A 88 SER OG : rot 38:sc= 1.04 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.372 21.495 4.623 1.00 0.00 N ATOM 2 CA MET A 1 9.356 21.723 5.685 1.00 0.00 C ATOM 3 C MET A 1 9.030 20.429 6.422 1.00 0.00 C ATOM 4 O MET A 1 8.864 20.422 7.642 1.00 0.00 O ATOM 5 CB MET A 1 8.094 22.294 5.037 1.00 0.00 C ATOM 6 CG MET A 1 8.322 23.612 4.317 1.00 0.00 C ATOM 7 SD MET A 1 6.818 24.261 3.562 1.00 0.00 S ATOM 8 CE MET A 1 6.404 22.931 2.437 1.00 0.00 C ATOM 0 H1 MET A 1 10.785 22.405 4.337 1.00 0.00 H new ATOM 0 H2 MET A 1 11.122 20.874 4.988 1.00 0.00 H new ATOM 0 H3 MET A 1 9.920 21.046 3.801 1.00 0.00 H new ATOM 0 HA MET A 1 9.754 22.426 6.417 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.699 21.566 4.328 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.334 22.436 5.805 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.714 24.344 5.023 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.080 23.474 3.546 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.965 23.345 1.530 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.307 22.376 2.182 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.688 22.261 2.913 1.00 0.00 H new ATOM 20 N SER A 2 8.943 19.333 5.675 1.00 0.00 N ATOM 21 CA SER A 2 8.637 18.032 6.257 1.00 0.00 C ATOM 22 C SER A 2 9.279 16.910 5.448 1.00 0.00 C ATOM 23 O SER A 2 9.551 17.068 4.258 1.00 0.00 O ATOM 24 CB SER A 2 7.123 17.825 6.329 1.00 0.00 C ATOM 25 OG SER A 2 6.508 18.823 7.125 1.00 0.00 O ATOM 0 H SER A 2 9.080 19.321 4.664 1.00 0.00 H new ATOM 0 HA SER A 2 9.047 18.008 7.267 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.702 17.847 5.324 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.907 16.840 6.744 1.00 0.00 H new ATOM 0 HG SER A 2 5.541 18.669 7.153 1.00 0.00 H new ATOM 31 N ASP A 3 9.517 15.778 6.101 1.00 0.00 N ATOM 32 CA ASP A 3 10.127 14.629 5.443 1.00 0.00 C ATOM 33 C ASP A 3 9.934 13.360 6.268 1.00 0.00 C ATOM 34 O ASP A 3 10.862 12.884 6.920 1.00 0.00 O ATOM 35 CB ASP A 3 11.618 14.879 5.210 1.00 0.00 C ATOM 36 CG ASP A 3 12.373 15.134 6.501 1.00 0.00 C ATOM 37 OD1 ASP A 3 11.736 15.120 7.576 1.00 0.00 O ATOM 38 OD2 ASP A 3 13.601 15.348 6.436 1.00 0.00 O ATOM 0 H ASP A 3 9.297 15.632 7.086 1.00 0.00 H new ATOM 0 HA ASP A 3 9.634 14.492 4.480 1.00 0.00 H new ATOM 0 HB2 ASP A 3 12.053 14.018 4.703 1.00 0.00 H new ATOM 0 HB3 ASP A 3 11.740 15.735 4.546 1.00 0.00 H new ATOM 43 N ARG A 4 8.720 12.820 6.236 1.00 0.00 N ATOM 44 CA ARG A 4 8.403 11.607 6.983 1.00 0.00 C ATOM 45 C ARG A 4 8.877 10.370 6.229 1.00 0.00 C ATOM 46 O ARG A 4 9.499 9.477 6.805 1.00 0.00 O ATOM 47 CB ARG A 4 6.898 11.517 7.237 1.00 0.00 C ATOM 48 CG ARG A 4 6.336 12.715 7.981 1.00 0.00 C ATOM 49 CD ARG A 4 4.840 12.573 8.218 1.00 0.00 C ATOM 50 NE ARG A 4 4.287 13.715 8.944 1.00 0.00 N ATOM 51 CZ ARG A 4 4.592 14.010 10.206 1.00 0.00 C ATOM 52 NH1 ARG A 4 5.405 13.227 10.903 1.00 0.00 N ATOM 53 NH2 ARG A 4 4.069 15.088 10.778 1.00 0.00 N ATOM 0 H ARG A 4 7.940 13.202 5.702 1.00 0.00 H new ATOM 0 HA ARG A 4 8.923 11.652 7.940 1.00 0.00 H new ATOM 0 HB2 ARG A 4 6.382 11.418 6.282 1.00 0.00 H new ATOM 0 HB3 ARG A 4 6.688 10.613 7.809 1.00 0.00 H new ATOM 0 HG2 ARG A 4 6.848 12.824 8.937 1.00 0.00 H new ATOM 0 HG3 ARG A 4 6.530 13.623 7.410 1.00 0.00 H new ATOM 0 HD2 ARG A 4 4.330 12.471 7.260 1.00 0.00 H new ATOM 0 HD3 ARG A 4 4.648 11.659 8.780 1.00 0.00 H new ATOM 0 HE ARG A 4 3.629 14.322 8.455 1.00 0.00 H new ATOM 0 HH11 ARG A 4 5.802 12.392 10.473 1.00 0.00 H new ATOM 0 HH12 ARG A 4 5.633 13.460 11.869 1.00 0.00 H new ATOM 0 HH21 ARG A 4 3.435 15.688 10.251 1.00 0.00 H new ATOM 0 HH22 ARG A 4 4.301 15.316 11.745 1.00 0.00 H new ATOM 67 N LYS A 5 8.576 10.328 4.939 1.00 0.00 N ATOM 68 CA LYS A 5 8.967 9.205 4.095 1.00 0.00 C ATOM 69 C LYS A 5 8.368 7.901 4.614 1.00 0.00 C ATOM 70 O LYS A 5 9.040 7.123 5.289 1.00 0.00 O ATOM 71 CB LYS A 5 10.492 9.090 4.037 1.00 0.00 C ATOM 72 CG LYS A 5 11.172 10.324 3.467 1.00 0.00 C ATOM 73 CD LYS A 5 12.684 10.164 3.440 1.00 0.00 C ATOM 74 CE LYS A 5 13.104 8.986 2.575 1.00 0.00 C ATOM 75 NZ LYS A 5 12.643 9.136 1.168 1.00 0.00 N ATOM 0 H LYS A 5 8.060 11.061 4.451 1.00 0.00 H new ATOM 0 HA LYS A 5 8.584 9.387 3.091 1.00 0.00 H new ATOM 0 HB2 LYS A 5 10.873 8.906 5.042 1.00 0.00 H new ATOM 0 HB3 LYS A 5 10.760 8.225 3.431 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.806 10.508 2.457 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.908 11.196 4.066 1.00 0.00 H new ATOM 0 HD2 LYS A 5 13.141 11.077 3.059 1.00 0.00 H new ATOM 0 HD3 LYS A 5 13.054 10.022 4.455 1.00 0.00 H new ATOM 0 HE2 LYS A 5 14.190 8.892 2.593 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.697 8.065 2.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 13.114 8.427 0.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.613 8.997 1.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 12.879 10.089 0.825 1.00 0.00 H new ATOM 89 N ALA A 6 7.100 7.672 4.293 1.00 0.00 N ATOM 90 CA ALA A 6 6.408 6.462 4.726 1.00 0.00 C ATOM 91 C ALA A 6 6.299 6.407 6.246 1.00 0.00 C ATOM 92 O ALA A 6 7.293 6.563 6.956 1.00 0.00 O ATOM 93 CB ALA A 6 7.122 5.226 4.196 1.00 0.00 C ATOM 0 H ALA A 6 6.530 8.307 3.735 1.00 0.00 H new ATOM 0 HA ALA A 6 5.398 6.484 4.318 1.00 0.00 H new ATOM 0 HB1 ALA A 6 6.595 4.331 4.527 1.00 0.00 H new ATOM 0 HB2 ALA A 6 7.139 5.255 3.107 1.00 0.00 H new ATOM 0 HB3 ALA A 6 8.144 5.206 4.575 1.00 0.00 H new ATOM 99 N VAL A 7 5.086 6.185 6.739 1.00 0.00 N ATOM 100 CA VAL A 7 4.848 6.110 8.176 1.00 0.00 C ATOM 101 C VAL A 7 3.776 5.074 8.500 1.00 0.00 C ATOM 102 O VAL A 7 2.591 5.394 8.576 1.00 0.00 O ATOM 103 CB VAL A 7 4.418 7.475 8.745 1.00 0.00 C ATOM 104 CG1 VAL A 7 4.256 7.403 10.256 1.00 0.00 C ATOM 105 CG2 VAL A 7 5.421 8.553 8.361 1.00 0.00 C ATOM 0 H VAL A 7 4.253 6.054 6.166 1.00 0.00 H new ATOM 0 HA VAL A 7 5.789 5.813 8.640 1.00 0.00 H new ATOM 0 HB VAL A 7 3.452 7.737 8.314 1.00 0.00 H new ATOM 0 HG11 VAL A 7 3.952 8.378 10.636 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.496 6.663 10.506 1.00 0.00 H new ATOM 0 HG13 VAL A 7 5.204 7.116 10.710 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.101 9.511 8.772 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.402 8.296 8.761 1.00 0.00 H new ATOM 0 HG23 VAL A 7 5.480 8.625 7.275 1.00 0.00 H new ATOM 115 N ILE A 8 4.203 3.830 8.693 1.00 0.00 N ATOM 116 CA ILE A 8 3.282 2.746 9.009 1.00 0.00 C ATOM 117 C ILE A 8 2.517 3.037 10.298 1.00 0.00 C ATOM 118 O ILE A 8 3.109 3.364 11.326 1.00 0.00 O ATOM 119 CB ILE A 8 4.027 1.400 9.150 1.00 0.00 C ATOM 120 CG1 ILE A 8 4.702 1.025 7.828 1.00 0.00 C ATOM 121 CG2 ILE A 8 3.069 0.299 9.588 1.00 0.00 C ATOM 122 CD1 ILE A 8 5.515 -0.247 7.909 1.00 0.00 C ATOM 0 H ILE A 8 5.182 3.548 8.636 1.00 0.00 H new ATOM 0 HA ILE A 8 2.576 2.673 8.182 1.00 0.00 H new ATOM 0 HB ILE A 8 4.795 1.510 9.915 1.00 0.00 H new ATOM 0 HG12 ILE A 8 3.939 0.911 7.058 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.351 1.843 7.515 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.613 -0.641 9.681 1.00 0.00 H new ATOM 0 HG22 ILE A 8 2.629 0.561 10.550 1.00 0.00 H new ATOM 0 HG23 ILE A 8 2.278 0.188 8.846 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.965 -0.453 6.938 1.00 0.00 H new ATOM 0 HD12 ILE A 8 6.300 -0.130 8.656 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.866 -1.076 8.192 1.00 0.00 H new ATOM 134 N LYS A 9 1.195 2.914 10.233 1.00 0.00 N ATOM 135 CA LYS A 9 0.343 3.160 11.390 1.00 0.00 C ATOM 136 C LYS A 9 -0.309 1.870 11.879 1.00 0.00 C ATOM 137 O LYS A 9 -0.706 1.768 13.040 1.00 0.00 O ATOM 138 CB LYS A 9 -0.736 4.190 11.048 1.00 0.00 C ATOM 139 CG LYS A 9 -0.180 5.552 10.666 1.00 0.00 C ATOM 140 CD LYS A 9 0.627 6.162 11.800 1.00 0.00 C ATOM 141 CE LYS A 9 1.161 7.535 11.428 1.00 0.00 C ATOM 142 NZ LYS A 9 1.959 8.138 12.532 1.00 0.00 N ATOM 0 H LYS A 9 0.690 2.645 9.389 1.00 0.00 H new ATOM 0 HA LYS A 9 0.972 3.552 12.190 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.341 3.810 10.225 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.400 4.306 11.904 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.450 5.454 9.782 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.000 6.220 10.401 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.003 6.242 12.690 1.00 0.00 H new ATOM 0 HD3 LYS A 9 1.458 5.503 12.052 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.780 7.454 10.535 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.329 8.193 11.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.305 9.074 12.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 1.361 8.239 13.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.768 7.523 12.752 1.00 0.00 H new ATOM 156 N ASN A 10 -0.421 0.887 10.989 1.00 0.00 N ATOM 157 CA ASN A 10 -1.029 -0.391 11.340 1.00 0.00 C ATOM 158 C ASN A 10 -0.720 -1.448 10.284 1.00 0.00 C ATOM 159 O ASN A 10 -1.507 -1.671 9.364 1.00 0.00 O ATOM 160 CB ASN A 10 -2.546 -0.232 11.492 1.00 0.00 C ATOM 161 CG ASN A 10 -3.253 -1.498 11.961 1.00 0.00 C ATOM 162 OD1 ASN A 10 -4.483 -1.555 11.977 1.00 0.00 O ATOM 163 ND2 ASN A 10 -2.493 -2.517 12.367 1.00 0.00 N ATOM 0 H ASN A 10 -0.100 0.952 10.023 1.00 0.00 H new ATOM 0 HA ASN A 10 -0.607 -0.719 12.290 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -2.749 0.570 12.202 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -2.968 0.075 10.535 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -2.929 -3.376 12.703 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -1.476 -2.437 12.341 1.00 0.00 H new ATOM 170 N ALA A 11 0.431 -2.097 10.425 1.00 0.00 N ATOM 171 CA ALA A 11 0.845 -3.134 9.487 1.00 0.00 C ATOM 172 C ALA A 11 0.726 -4.516 10.118 1.00 0.00 C ATOM 173 O ALA A 11 1.628 -4.967 10.823 1.00 0.00 O ATOM 174 CB ALA A 11 2.271 -2.888 9.021 1.00 0.00 C ATOM 0 H ALA A 11 1.094 -1.923 11.180 1.00 0.00 H new ATOM 0 HA ALA A 11 0.182 -3.095 8.623 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.565 -3.670 8.321 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.330 -1.918 8.527 1.00 0.00 H new ATOM 0 HB3 ALA A 11 2.942 -2.899 9.880 1.00 0.00 H new ATOM 180 N ASP A 12 -0.395 -5.182 9.863 1.00 0.00 N ATOM 181 CA ASP A 12 -0.631 -6.512 10.411 1.00 0.00 C ATOM 182 C ASP A 12 0.183 -7.572 9.670 1.00 0.00 C ATOM 183 O ASP A 12 0.272 -8.716 10.116 1.00 0.00 O ATOM 184 CB ASP A 12 -2.120 -6.856 10.343 1.00 0.00 C ATOM 185 CG ASP A 12 -2.432 -8.200 10.972 1.00 0.00 C ATOM 186 OD1 ASP A 12 -2.160 -8.366 12.180 1.00 0.00 O ATOM 187 OD2 ASP A 12 -2.947 -9.084 10.257 1.00 0.00 O ATOM 0 H ASP A 12 -1.153 -4.823 9.282 1.00 0.00 H new ATOM 0 HA ASP A 12 -0.310 -6.505 11.453 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.693 -6.079 10.849 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.442 -6.862 9.302 1.00 0.00 H new ATOM 192 N MET A 13 0.776 -7.194 8.538 1.00 0.00 N ATOM 193 CA MET A 13 1.576 -8.129 7.756 1.00 0.00 C ATOM 194 C MET A 13 2.960 -8.312 8.381 1.00 0.00 C ATOM 195 O MET A 13 3.417 -7.470 9.154 1.00 0.00 O ATOM 196 CB MET A 13 1.704 -7.644 6.309 1.00 0.00 C ATOM 197 CG MET A 13 2.500 -8.581 5.420 1.00 0.00 C ATOM 198 SD MET A 13 1.754 -10.217 5.283 1.00 0.00 S ATOM 199 CE MET A 13 0.134 -9.798 4.649 1.00 0.00 C ATOM 0 H MET A 13 0.717 -6.254 8.146 1.00 0.00 H new ATOM 0 HA MET A 13 1.070 -9.094 7.756 1.00 0.00 H new ATOM 0 HB2 MET A 13 0.707 -7.518 5.888 1.00 0.00 H new ATOM 0 HB3 MET A 13 2.178 -6.663 6.305 1.00 0.00 H new ATOM 0 HG2 MET A 13 2.589 -8.143 4.426 1.00 0.00 H new ATOM 0 HG3 MET A 13 3.511 -8.680 5.817 1.00 0.00 H new ATOM 0 HE1 MET A 13 -0.154 -10.518 3.883 1.00 0.00 H new ATOM 0 HE2 MET A 13 -0.592 -9.823 5.461 1.00 0.00 H new ATOM 0 HE3 MET A 13 0.160 -8.798 4.216 1.00 0.00 H new ATOM 209 N SER A 14 3.612 -9.425 8.048 1.00 0.00 N ATOM 210 CA SER A 14 4.940 -9.745 8.576 1.00 0.00 C ATOM 211 C SER A 14 5.854 -8.525 8.615 1.00 0.00 C ATOM 212 O SER A 14 6.072 -7.931 9.670 1.00 0.00 O ATOM 213 CB SER A 14 5.585 -10.854 7.740 1.00 0.00 C ATOM 214 OG SER A 14 4.839 -12.057 7.823 1.00 0.00 O ATOM 0 H SER A 14 3.239 -10.127 7.409 1.00 0.00 H new ATOM 0 HA SER A 14 4.807 -10.088 9.602 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.653 -10.536 6.700 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.603 -11.029 8.087 1.00 0.00 H new ATOM 0 HG SER A 14 5.271 -12.748 7.279 1.00 0.00 H new ATOM 220 N GLU A 15 6.395 -8.166 7.460 1.00 0.00 N ATOM 221 CA GLU A 15 7.295 -7.023 7.355 1.00 0.00 C ATOM 222 C GLU A 15 7.731 -6.816 5.911 1.00 0.00 C ATOM 223 O GLU A 15 7.983 -5.689 5.482 1.00 0.00 O ATOM 224 CB GLU A 15 8.524 -7.233 8.244 1.00 0.00 C ATOM 225 CG GLU A 15 9.514 -6.081 8.194 1.00 0.00 C ATOM 226 CD GLU A 15 10.724 -6.313 9.078 1.00 0.00 C ATOM 227 OE1 GLU A 15 11.443 -7.308 8.851 1.00 0.00 O ATOM 228 OE2 GLU A 15 10.951 -5.498 9.999 1.00 0.00 O ATOM 0 H GLU A 15 6.227 -8.651 6.578 1.00 0.00 H new ATOM 0 HA GLU A 15 6.761 -6.134 7.690 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.197 -7.376 9.274 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.030 -8.149 7.940 1.00 0.00 H new ATOM 0 HG2 GLU A 15 9.843 -5.934 7.165 1.00 0.00 H new ATOM 0 HG3 GLU A 15 9.014 -5.163 8.503 1.00 0.00 H new ATOM 235 N ASP A 16 7.818 -7.910 5.165 1.00 0.00 N ATOM 236 CA ASP A 16 8.224 -7.845 3.767 1.00 0.00 C ATOM 237 C ASP A 16 7.329 -6.889 2.986 1.00 0.00 C ATOM 238 O ASP A 16 7.780 -6.232 2.048 1.00 0.00 O ATOM 239 CB ASP A 16 8.185 -9.236 3.132 1.00 0.00 C ATOM 240 CG ASP A 16 9.106 -10.216 3.831 1.00 0.00 C ATOM 241 OD1 ASP A 16 10.327 -9.957 3.870 1.00 0.00 O ATOM 242 OD2 ASP A 16 8.607 -11.241 4.340 1.00 0.00 O ATOM 0 H ASP A 16 7.614 -8.850 5.503 1.00 0.00 H new ATOM 0 HA ASP A 16 9.247 -7.470 3.730 1.00 0.00 H new ATOM 0 HB2 ASP A 16 7.164 -9.617 3.161 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.468 -9.161 2.082 1.00 0.00 H new ATOM 247 N MET A 17 6.064 -6.804 3.384 1.00 0.00 N ATOM 248 CA MET A 17 5.123 -5.912 2.717 1.00 0.00 C ATOM 249 C MET A 17 5.350 -4.474 3.153 1.00 0.00 C ATOM 250 O MET A 17 5.045 -3.543 2.414 1.00 0.00 O ATOM 251 CB MET A 17 3.674 -6.333 2.983 1.00 0.00 C ATOM 252 CG MET A 17 3.248 -7.576 2.213 1.00 0.00 C ATOM 253 SD MET A 17 4.246 -9.027 2.606 1.00 0.00 S ATOM 254 CE MET A 17 3.455 -10.267 1.583 1.00 0.00 C ATOM 0 H MET A 17 5.669 -7.337 4.159 1.00 0.00 H new ATOM 0 HA MET A 17 5.300 -5.982 1.644 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.548 -6.516 4.050 1.00 0.00 H new ATOM 0 HB3 MET A 17 3.011 -5.509 2.721 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.202 -7.791 2.432 1.00 0.00 H new ATOM 0 HG3 MET A 17 3.315 -7.375 1.144 1.00 0.00 H new ATOM 0 HE1 MET A 17 4.138 -11.103 1.431 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.550 -10.623 2.076 1.00 0.00 H new ATOM 0 HE3 MET A 17 3.195 -9.831 0.618 1.00 0.00 H new ATOM 264 N GLN A 18 5.916 -4.290 4.336 1.00 0.00 N ATOM 265 CA GLN A 18 6.210 -2.952 4.812 1.00 0.00 C ATOM 266 C GLN A 18 7.290 -2.350 3.926 1.00 0.00 C ATOM 267 O GLN A 18 7.185 -1.208 3.477 1.00 0.00 O ATOM 268 CB GLN A 18 6.665 -2.969 6.277 1.00 0.00 C ATOM 269 CG GLN A 18 5.532 -3.157 7.280 1.00 0.00 C ATOM 270 CD GLN A 18 4.929 -4.550 7.263 1.00 0.00 C ATOM 271 OE1 GLN A 18 4.497 -5.046 6.223 1.00 0.00 O ATOM 272 NE2 GLN A 18 4.881 -5.185 8.428 1.00 0.00 N ATOM 0 H GLN A 18 6.177 -5.041 4.975 1.00 0.00 H new ATOM 0 HA GLN A 18 5.305 -2.346 4.762 1.00 0.00 H new ATOM 0 HB2 GLN A 18 7.391 -3.771 6.411 1.00 0.00 H new ATOM 0 HB3 GLN A 18 7.179 -2.033 6.497 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.906 -2.944 8.282 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.749 -2.429 7.071 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.250 -4.739 9.268 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.475 -6.119 8.483 1.00 0.00 H new ATOM 281 N GLN A 19 8.319 -3.147 3.655 1.00 0.00 N ATOM 282 CA GLN A 19 9.418 -2.716 2.810 1.00 0.00 C ATOM 283 C GLN A 19 9.074 -2.871 1.330 1.00 0.00 C ATOM 284 O GLN A 19 9.531 -2.087 0.496 1.00 0.00 O ATOM 285 CB GLN A 19 10.677 -3.519 3.142 1.00 0.00 C ATOM 286 CG GLN A 19 11.873 -3.153 2.284 1.00 0.00 C ATOM 287 CD GLN A 19 13.108 -3.963 2.628 1.00 0.00 C ATOM 288 OE1 GLN A 19 13.597 -3.921 3.757 1.00 0.00 O ATOM 289 NE2 GLN A 19 13.619 -4.706 1.654 1.00 0.00 N ATOM 0 H GLN A 19 8.411 -4.098 4.012 1.00 0.00 H new ATOM 0 HA GLN A 19 9.600 -1.659 3.005 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.931 -3.364 4.191 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.464 -4.581 3.020 1.00 0.00 H new ATOM 0 HG2 GLN A 19 11.623 -3.307 1.234 1.00 0.00 H new ATOM 0 HG3 GLN A 19 12.093 -2.093 2.407 1.00 0.00 H new ATOM 0 HE21 GLN A 19 13.181 -4.711 0.733 1.00 0.00 H new ATOM 0 HE22 GLN A 19 14.450 -5.272 1.827 1.00 0.00 H new ATOM 298 N ASP A 20 8.268 -3.878 1.004 1.00 0.00 N ATOM 299 CA ASP A 20 7.882 -4.113 -0.382 1.00 0.00 C ATOM 300 C ASP A 20 6.844 -3.095 -0.830 1.00 0.00 C ATOM 301 O ASP A 20 6.964 -2.497 -1.898 1.00 0.00 O ATOM 302 CB ASP A 20 7.337 -5.532 -0.557 1.00 0.00 C ATOM 303 CG ASP A 20 7.007 -5.853 -2.002 1.00 0.00 C ATOM 304 OD1 ASP A 20 7.151 -4.955 -2.860 1.00 0.00 O ATOM 305 OD2 ASP A 20 6.605 -7.003 -2.278 1.00 0.00 O ATOM 0 H ASP A 20 7.873 -4.538 1.674 1.00 0.00 H new ATOM 0 HA ASP A 20 8.770 -4.002 -1.004 1.00 0.00 H new ATOM 0 HB2 ASP A 20 8.071 -6.248 -0.188 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.441 -5.651 0.052 1.00 0.00 H new ATOM 310 N ALA A 21 5.825 -2.900 -0.004 1.00 0.00 N ATOM 311 CA ALA A 21 4.764 -1.951 -0.310 1.00 0.00 C ATOM 312 C ALA A 21 5.290 -0.520 -0.312 1.00 0.00 C ATOM 313 O ALA A 21 5.043 0.235 -1.250 1.00 0.00 O ATOM 314 CB ALA A 21 3.618 -2.096 0.676 1.00 0.00 C ATOM 0 H ALA A 21 5.711 -3.388 0.885 1.00 0.00 H new ATOM 0 HA ALA A 21 4.392 -2.174 -1.310 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.835 -1.379 0.431 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.215 -3.107 0.619 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.981 -1.906 1.686 1.00 0.00 H new ATOM 320 N VAL A 22 6.021 -0.145 0.740 1.00 0.00 N ATOM 321 CA VAL A 22 6.570 1.202 0.826 1.00 0.00 C ATOM 322 C VAL A 22 7.508 1.480 -0.344 1.00 0.00 C ATOM 323 O VAL A 22 7.482 2.565 -0.924 1.00 0.00 O ATOM 324 CB VAL A 22 7.313 1.434 2.158 1.00 0.00 C ATOM 325 CG1 VAL A 22 7.982 2.803 2.175 1.00 0.00 C ATOM 326 CG2 VAL A 22 6.354 1.298 3.330 1.00 0.00 C ATOM 0 H VAL A 22 6.242 -0.748 1.532 1.00 0.00 H new ATOM 0 HA VAL A 22 5.729 1.894 0.782 1.00 0.00 H new ATOM 0 HB VAL A 22 8.089 0.675 2.252 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.499 2.943 3.124 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.700 2.867 1.357 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.226 3.579 2.056 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.893 1.464 4.263 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.557 2.035 3.235 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.924 0.297 3.334 1.00 0.00 H new ATOM 336 N ASP A 23 8.333 0.496 -0.695 1.00 0.00 N ATOM 337 CA ASP A 23 9.264 0.656 -1.805 1.00 0.00 C ATOM 338 C ASP A 23 8.541 0.518 -3.134 1.00 0.00 C ATOM 339 O ASP A 23 8.906 1.165 -4.114 1.00 0.00 O ATOM 340 CB ASP A 23 10.402 -0.364 -1.706 1.00 0.00 C ATOM 341 CG ASP A 23 11.413 -0.217 -2.829 1.00 0.00 C ATOM 342 OD1 ASP A 23 12.021 0.868 -2.940 1.00 0.00 O ATOM 343 OD2 ASP A 23 11.594 -1.187 -3.594 1.00 0.00 O ATOM 0 H ASP A 23 8.375 -0.411 -0.231 1.00 0.00 H new ATOM 0 HA ASP A 23 9.693 1.656 -1.749 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.908 -0.247 -0.748 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.986 -1.371 -1.726 1.00 0.00 H new ATOM 348 N CYS A 24 7.499 -0.301 -3.163 1.00 0.00 N ATOM 349 CA CYS A 24 6.722 -0.471 -4.379 1.00 0.00 C ATOM 350 C CYS A 24 5.903 0.787 -4.622 1.00 0.00 C ATOM 351 O CYS A 24 5.634 1.156 -5.763 1.00 0.00 O ATOM 352 CB CYS A 24 5.817 -1.699 -4.289 1.00 0.00 C ATOM 353 SG CYS A 24 4.988 -2.108 -5.841 1.00 0.00 S ATOM 0 H CYS A 24 7.176 -0.852 -2.367 1.00 0.00 H new ATOM 0 HA CYS A 24 7.401 -0.631 -5.217 1.00 0.00 H new ATOM 0 HB2 CYS A 24 6.412 -2.555 -3.969 1.00 0.00 H new ATOM 0 HB3 CYS A 24 5.064 -1.528 -3.520 1.00 0.00 H new ATOM 0 HG CYS A 24 5.683 -1.648 -6.839 1.00 0.00 H new ATOM 359 N ALA A 25 5.541 1.457 -3.530 1.00 0.00 N ATOM 360 CA ALA A 25 4.787 2.695 -3.609 1.00 0.00 C ATOM 361 C ALA A 25 5.729 3.862 -3.883 1.00 0.00 C ATOM 362 O ALA A 25 5.336 4.867 -4.475 1.00 0.00 O ATOM 363 CB ALA A 25 4.005 2.927 -2.321 1.00 0.00 C ATOM 0 H ALA A 25 5.761 1.158 -2.580 1.00 0.00 H new ATOM 0 HA ALA A 25 4.074 2.621 -4.430 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.446 3.859 -2.398 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.312 2.100 -2.162 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.697 2.987 -1.481 1.00 0.00 H new ATOM 369 N THR A 26 6.989 3.713 -3.463 1.00 0.00 N ATOM 370 CA THR A 26 7.990 4.747 -3.680 1.00 0.00 C ATOM 371 C THR A 26 8.495 4.680 -5.113 1.00 0.00 C ATOM 372 O THR A 26 8.595 5.697 -5.798 1.00 0.00 O ATOM 373 CB THR A 26 9.155 4.579 -2.701 1.00 0.00 C ATOM 374 OG1 THR A 26 8.702 4.677 -1.362 1.00 0.00 O ATOM 375 CG2 THR A 26 10.251 5.607 -2.890 1.00 0.00 C ATOM 0 H THR A 26 7.333 2.887 -2.973 1.00 0.00 H new ATOM 0 HA THR A 26 7.533 5.721 -3.507 1.00 0.00 H new ATOM 0 HB THR A 26 9.566 3.591 -2.909 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.512 3.781 -1.014 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.045 5.430 -2.164 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.656 5.525 -3.899 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.842 6.606 -2.743 1.00 0.00 H new ATOM 383 N GLN A 27 8.793 3.467 -5.567 1.00 0.00 N ATOM 384 CA GLN A 27 9.265 3.258 -6.928 1.00 0.00 C ATOM 385 C GLN A 27 8.120 3.451 -7.914 1.00 0.00 C ATOM 386 O GLN A 27 8.333 3.844 -9.061 1.00 0.00 O ATOM 387 CB GLN A 27 9.860 1.855 -7.079 1.00 0.00 C ATOM 388 CG GLN A 27 10.328 1.537 -8.493 1.00 0.00 C ATOM 389 CD GLN A 27 11.493 2.399 -8.968 1.00 0.00 C ATOM 390 OE1 GLN A 27 11.870 2.344 -10.139 1.00 0.00 O ATOM 391 NE2 GLN A 27 12.086 3.183 -8.069 1.00 0.00 N ATOM 0 H GLN A 27 8.716 2.615 -5.011 1.00 0.00 H new ATOM 0 HA GLN A 27 10.044 3.990 -7.142 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.703 1.752 -6.395 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.114 1.119 -6.779 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.622 0.488 -8.540 1.00 0.00 H new ATOM 0 HG3 GLN A 27 9.491 1.665 -9.179 1.00 0.00 H new ATOM 0 HE21 GLN A 27 11.747 3.203 -7.107 1.00 0.00 H new ATOM 0 HE22 GLN A 27 12.879 3.763 -8.342 1.00 0.00 H new ATOM 400 N ALA A 28 6.897 3.183 -7.455 1.00 0.00 N ATOM 401 CA ALA A 28 5.719 3.341 -8.298 1.00 0.00 C ATOM 402 C ALA A 28 5.485 4.814 -8.613 1.00 0.00 C ATOM 403 O ALA A 28 5.427 5.209 -9.777 1.00 0.00 O ATOM 404 CB ALA A 28 4.495 2.741 -7.622 1.00 0.00 C ATOM 0 H ALA A 28 6.700 2.857 -6.509 1.00 0.00 H new ATOM 0 HA ALA A 28 5.890 2.809 -9.234 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.625 2.868 -8.266 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.662 1.679 -7.443 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.320 3.246 -6.672 1.00 0.00 H new ATOM 410 N MET A 29 5.363 5.623 -7.565 1.00 0.00 N ATOM 411 CA MET A 29 5.150 7.056 -7.731 1.00 0.00 C ATOM 412 C MET A 29 6.409 7.728 -8.273 1.00 0.00 C ATOM 413 O MET A 29 6.350 8.824 -8.830 1.00 0.00 O ATOM 414 CB MET A 29 4.750 7.691 -6.396 1.00 0.00 C ATOM 415 CG MET A 29 3.470 7.118 -5.810 1.00 0.00 C ATOM 416 SD MET A 29 3.011 7.899 -4.250 1.00 0.00 S ATOM 417 CE MET A 29 4.445 7.523 -3.246 1.00 0.00 C ATOM 0 H MET A 29 5.408 5.312 -6.595 1.00 0.00 H new ATOM 0 HA MET A 29 4.342 7.202 -8.449 1.00 0.00 H new ATOM 0 HB2 MET A 29 5.561 7.554 -5.680 1.00 0.00 H new ATOM 0 HB3 MET A 29 4.627 8.765 -6.536 1.00 0.00 H new ATOM 0 HG2 MET A 29 2.659 7.243 -6.527 1.00 0.00 H new ATOM 0 HG3 MET A 29 3.594 6.047 -5.653 1.00 0.00 H new ATOM 0 HE1 MET A 29 4.431 8.138 -2.346 1.00 0.00 H new ATOM 0 HE2 MET A 29 4.427 6.470 -2.966 1.00 0.00 H new ATOM 0 HE3 MET A 29 5.352 7.732 -3.814 1.00 0.00 H new ATOM 427 N GLU A 30 7.549 7.058 -8.110 1.00 0.00 N ATOM 428 CA GLU A 30 8.823 7.584 -8.586 1.00 0.00 C ATOM 429 C GLU A 30 8.992 7.317 -10.078 1.00 0.00 C ATOM 430 O GLU A 30 9.393 8.202 -10.834 1.00 0.00 O ATOM 431 CB GLU A 30 9.978 6.956 -7.801 1.00 0.00 C ATOM 432 CG GLU A 30 11.354 7.374 -8.290 1.00 0.00 C ATOM 433 CD GLU A 30 12.473 6.833 -7.421 1.00 0.00 C ATOM 434 OE1 GLU A 30 12.584 5.595 -7.299 1.00 0.00 O ATOM 435 OE2 GLU A 30 13.239 7.647 -6.863 1.00 0.00 O ATOM 0 H GLU A 30 7.614 6.149 -7.651 1.00 0.00 H new ATOM 0 HA GLU A 30 8.833 8.662 -8.427 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.879 7.227 -6.750 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.897 5.871 -7.860 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.493 7.025 -9.313 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.412 8.462 -8.314 1.00 0.00 H new ATOM 442 N LYS A 31 8.675 6.096 -10.494 1.00 0.00 N ATOM 443 CA LYS A 31 8.784 5.716 -11.897 1.00 0.00 C ATOM 444 C LYS A 31 7.537 6.139 -12.669 1.00 0.00 C ATOM 445 O LYS A 31 7.590 6.366 -13.877 1.00 0.00 O ATOM 446 CB LYS A 31 8.991 4.206 -12.025 1.00 0.00 C ATOM 447 CG LYS A 31 9.138 3.732 -13.462 1.00 0.00 C ATOM 448 CD LYS A 31 9.347 2.228 -13.534 1.00 0.00 C ATOM 449 CE LYS A 31 9.507 1.756 -14.971 1.00 0.00 C ATOM 450 NZ LYS A 31 9.704 0.283 -15.054 1.00 0.00 N ATOM 0 H LYS A 31 8.341 5.353 -9.880 1.00 0.00 H new ATOM 0 HA LYS A 31 9.647 6.229 -12.323 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.881 3.921 -11.464 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.147 3.692 -11.566 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.248 4.004 -14.029 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.981 4.240 -13.929 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.232 1.955 -12.959 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.499 1.719 -13.075 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.624 2.037 -15.546 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.358 2.262 -15.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.809 0.002 -16.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.560 0.017 -14.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.880 -0.201 -14.643 1.00 0.00 H new ATOM 464 N TYR A 32 6.417 6.245 -11.960 1.00 0.00 N ATOM 465 CA TYR A 32 5.155 6.644 -12.576 1.00 0.00 C ATOM 466 C TYR A 32 4.409 7.634 -11.688 1.00 0.00 C ATOM 467 O TYR A 32 4.785 7.857 -10.538 1.00 0.00 O ATOM 468 CB TYR A 32 4.278 5.418 -12.837 1.00 0.00 C ATOM 469 CG TYR A 32 4.897 4.417 -13.786 1.00 0.00 C ATOM 470 CD1 TYR A 32 5.229 4.777 -15.087 1.00 0.00 C ATOM 471 CD2 TYR A 32 5.148 3.110 -13.384 1.00 0.00 C ATOM 472 CE1 TYR A 32 5.792 3.865 -15.958 1.00 0.00 C ATOM 473 CE2 TYR A 32 5.712 2.193 -14.250 1.00 0.00 C ATOM 474 CZ TYR A 32 6.033 2.575 -15.536 1.00 0.00 C ATOM 475 OH TYR A 32 6.593 1.664 -16.401 1.00 0.00 O ATOM 0 H TYR A 32 6.357 6.060 -10.959 1.00 0.00 H new ATOM 0 HA TYR A 32 5.381 7.129 -13.526 1.00 0.00 H new ATOM 0 HB2 TYR A 32 4.068 4.924 -11.888 1.00 0.00 H new ATOM 0 HB3 TYR A 32 3.321 5.747 -13.243 1.00 0.00 H new ATOM 0 HD1 TYR A 32 5.044 5.787 -15.422 1.00 0.00 H new ATOM 0 HD2 TYR A 32 4.898 2.806 -12.378 1.00 0.00 H new ATOM 0 HE1 TYR A 32 6.042 4.161 -16.966 1.00 0.00 H new ATOM 0 HE2 TYR A 32 5.901 1.182 -13.922 1.00 0.00 H new ATOM 0 HH TYR A 32 6.697 0.802 -15.946 1.00 0.00 H new ATOM 485 N ASN A 33 3.350 8.226 -12.229 1.00 0.00 N ATOM 486 CA ASN A 33 2.552 9.192 -11.484 1.00 0.00 C ATOM 487 C ASN A 33 1.124 9.241 -12.027 1.00 0.00 C ATOM 488 O ASN A 33 0.623 10.303 -12.398 1.00 0.00 O ATOM 489 CB ASN A 33 3.196 10.578 -11.554 1.00 0.00 C ATOM 490 CG ASN A 33 2.541 11.579 -10.621 1.00 0.00 C ATOM 491 OD1 ASN A 33 1.352 11.873 -10.736 1.00 0.00 O ATOM 492 ND2 ASN A 33 3.319 12.108 -9.683 1.00 0.00 N ATOM 0 H ASN A 33 3.025 8.054 -13.180 1.00 0.00 H new ATOM 0 HA ASN A 33 2.513 8.877 -10.441 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.254 10.495 -11.305 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.137 10.950 -12.577 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.935 12.785 -9.024 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.300 11.837 -9.622 1.00 0.00 H new ATOM 499 N ILE A 34 0.478 8.081 -12.075 1.00 0.00 N ATOM 500 CA ILE A 34 -0.886 7.987 -12.576 1.00 0.00 C ATOM 501 C ILE A 34 -1.881 7.727 -11.445 1.00 0.00 C ATOM 502 O ILE A 34 -3.092 7.811 -11.647 1.00 0.00 O ATOM 503 CB ILE A 34 -1.017 6.861 -13.618 1.00 0.00 C ATOM 504 CG1 ILE A 34 0.084 6.994 -14.672 1.00 0.00 C ATOM 505 CG2 ILE A 34 -2.396 6.895 -14.267 1.00 0.00 C ATOM 506 CD1 ILE A 34 -0.013 5.972 -15.785 1.00 0.00 C ATOM 0 H ILE A 34 0.878 7.193 -11.773 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.116 8.945 -13.042 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.903 5.900 -13.117 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.042 7.994 -15.104 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.054 6.897 -14.185 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.473 6.093 -15.001 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.161 6.761 -13.502 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.541 7.855 -14.762 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.800 6.128 -16.494 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.059 4.969 -15.365 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.968 6.082 -16.298 1.00 0.00 H new ATOM 518 N GLU A 35 -1.363 7.402 -10.260 1.00 0.00 N ATOM 519 CA GLU A 35 -2.197 7.120 -9.092 1.00 0.00 C ATOM 520 C GLU A 35 -2.896 5.769 -9.229 1.00 0.00 C ATOM 521 O GLU A 35 -2.779 4.910 -8.356 1.00 0.00 O ATOM 522 CB GLU A 35 -3.234 8.228 -8.869 1.00 0.00 C ATOM 523 CG GLU A 35 -2.625 9.587 -8.557 1.00 0.00 C ATOM 524 CD GLU A 35 -1.787 10.132 -9.697 1.00 0.00 C ATOM 525 OE1 GLU A 35 -2.345 10.343 -10.794 1.00 0.00 O ATOM 526 OE2 GLU A 35 -0.576 10.351 -9.491 1.00 0.00 O ATOM 0 H GLU A 35 -0.361 7.327 -10.084 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.539 7.084 -8.224 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.856 8.315 -9.760 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.891 7.938 -8.049 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.423 10.294 -8.329 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.006 9.506 -7.664 1.00 0.00 H new ATOM 533 N LYS A 36 -3.617 5.585 -10.329 1.00 0.00 N ATOM 534 CA LYS A 36 -4.326 4.337 -10.577 1.00 0.00 C ATOM 535 C LYS A 36 -3.353 3.245 -11.008 1.00 0.00 C ATOM 536 O LYS A 36 -3.354 2.146 -10.453 1.00 0.00 O ATOM 537 CB LYS A 36 -5.399 4.536 -11.651 1.00 0.00 C ATOM 538 CG LYS A 36 -6.192 3.278 -11.959 1.00 0.00 C ATOM 539 CD LYS A 36 -7.242 3.529 -13.028 1.00 0.00 C ATOM 540 CE LYS A 36 -8.036 2.270 -13.335 1.00 0.00 C ATOM 541 NZ LYS A 36 -7.163 1.168 -13.824 1.00 0.00 N ATOM 0 H LYS A 36 -3.726 6.285 -11.063 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.809 4.029 -9.650 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.086 5.318 -11.326 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.924 4.889 -12.566 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.514 2.492 -12.291 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.675 2.920 -11.050 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.919 4.316 -12.696 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.759 3.887 -13.937 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.562 1.945 -12.438 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.794 2.493 -14.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.751 0.419 -14.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.508 1.537 -14.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.619 0.777 -13.028 1.00 0.00 H new ATOM 555 N ASP A 37 -2.516 3.558 -11.993 1.00 0.00 N ATOM 556 CA ASP A 37 -1.531 2.603 -12.486 1.00 0.00 C ATOM 557 C ASP A 37 -0.628 2.135 -11.349 1.00 0.00 C ATOM 558 O ASP A 37 -0.123 1.013 -11.365 1.00 0.00 O ATOM 559 CB ASP A 37 -0.690 3.234 -13.599 1.00 0.00 C ATOM 560 CG ASP A 37 0.328 2.268 -14.174 1.00 0.00 C ATOM 561 OD1 ASP A 37 1.191 1.790 -13.409 1.00 0.00 O ATOM 562 OD2 ASP A 37 0.261 1.989 -15.390 1.00 0.00 O ATOM 0 H ASP A 37 -2.501 4.463 -12.464 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.059 1.740 -12.891 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.348 3.580 -14.396 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.174 4.111 -13.208 1.00 0.00 H new ATOM 567 N ILE A 38 -0.440 3.005 -10.361 1.00 0.00 N ATOM 568 CA ILE A 38 0.392 2.685 -9.208 1.00 0.00 C ATOM 569 C ILE A 38 -0.172 1.483 -8.461 1.00 0.00 C ATOM 570 O ILE A 38 0.548 0.529 -8.161 1.00 0.00 O ATOM 571 CB ILE A 38 0.489 3.882 -8.240 1.00 0.00 C ATOM 572 CG1 ILE A 38 0.992 5.127 -8.974 1.00 0.00 C ATOM 573 CG2 ILE A 38 1.398 3.550 -7.063 1.00 0.00 C ATOM 574 CD1 ILE A 38 2.379 4.968 -9.560 1.00 0.00 C ATOM 0 H ILE A 38 -0.853 3.937 -10.337 1.00 0.00 H new ATOM 0 HA ILE A 38 1.390 2.450 -9.579 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.508 4.091 -7.853 1.00 0.00 H new ATOM 0 HG12 ILE A 38 0.295 5.373 -9.775 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.993 5.970 -8.283 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.453 4.408 -6.392 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.996 2.692 -6.523 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.396 3.312 -7.430 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.669 5.890 -10.065 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.089 4.753 -8.761 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.379 4.147 -10.276 1.00 0.00 H new ATOM 586 N ALA A 39 -1.468 1.534 -8.167 1.00 0.00 N ATOM 587 CA ALA A 39 -2.131 0.449 -7.457 1.00 0.00 C ATOM 588 C ALA A 39 -2.027 -0.860 -8.233 1.00 0.00 C ATOM 589 O ALA A 39 -2.119 -1.942 -7.656 1.00 0.00 O ATOM 590 CB ALA A 39 -3.589 0.799 -7.204 1.00 0.00 C ATOM 0 H ALA A 39 -2.078 2.315 -8.410 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.629 0.314 -6.499 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.073 -0.020 -6.673 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.646 1.706 -6.602 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.094 0.963 -8.156 1.00 0.00 H new ATOM 596 N ALA A 40 -1.834 -0.754 -9.545 1.00 0.00 N ATOM 597 CA ALA A 40 -1.717 -1.930 -10.399 1.00 0.00 C ATOM 598 C ALA A 40 -0.355 -2.585 -10.248 1.00 0.00 C ATOM 599 O ALA A 40 -0.255 -3.802 -10.127 1.00 0.00 O ATOM 600 CB ALA A 40 -1.973 -1.559 -11.852 1.00 0.00 C ATOM 0 H ALA A 40 -1.755 0.135 -10.039 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.472 -2.651 -10.085 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.882 -2.448 -12.476 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.978 -1.148 -11.951 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.243 -0.815 -12.172 1.00 0.00 H new ATOM 606 N TYR A 41 0.693 -1.779 -10.251 1.00 0.00 N ATOM 607 CA TYR A 41 2.043 -2.306 -10.105 1.00 0.00 C ATOM 608 C TYR A 41 2.242 -2.875 -8.707 1.00 0.00 C ATOM 609 O TYR A 41 3.059 -3.771 -8.500 1.00 0.00 O ATOM 610 CB TYR A 41 3.080 -1.216 -10.386 1.00 0.00 C ATOM 611 CG TYR A 41 4.509 -1.690 -10.256 1.00 0.00 C ATOM 612 CD1 TYR A 41 4.994 -2.721 -11.050 1.00 0.00 C ATOM 613 CD2 TYR A 41 5.373 -1.108 -9.336 1.00 0.00 C ATOM 614 CE1 TYR A 41 6.301 -3.158 -10.933 1.00 0.00 C ATOM 615 CE2 TYR A 41 6.680 -1.539 -9.213 1.00 0.00 C ATOM 616 CZ TYR A 41 7.139 -2.564 -10.014 1.00 0.00 C ATOM 617 OH TYR A 41 8.441 -2.995 -9.894 1.00 0.00 O ATOM 0 H TYR A 41 0.639 -0.765 -10.352 1.00 0.00 H new ATOM 0 HA TYR A 41 2.179 -3.107 -10.831 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.925 -0.830 -11.393 1.00 0.00 H new ATOM 0 HB3 TYR A 41 2.918 -0.386 -9.698 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.340 -3.189 -11.771 1.00 0.00 H new ATOM 0 HD2 TYR A 41 5.017 -0.306 -8.707 1.00 0.00 H new ATOM 0 HE1 TYR A 41 6.663 -3.961 -11.559 1.00 0.00 H new ATOM 0 HE2 TYR A 41 7.339 -1.076 -8.493 1.00 0.00 H new ATOM 0 HH TYR A 41 8.453 -3.966 -9.766 1.00 0.00 H new ATOM 627 N ILE A 42 1.474 -2.365 -7.754 1.00 0.00 N ATOM 628 CA ILE A 42 1.556 -2.836 -6.384 1.00 0.00 C ATOM 629 C ILE A 42 0.759 -4.123 -6.230 1.00 0.00 C ATOM 630 O ILE A 42 1.259 -5.117 -5.705 1.00 0.00 O ATOM 631 CB ILE A 42 1.039 -1.772 -5.393 1.00 0.00 C ATOM 632 CG1 ILE A 42 1.878 -0.496 -5.506 1.00 0.00 C ATOM 633 CG2 ILE A 42 1.066 -2.307 -3.966 1.00 0.00 C ATOM 634 CD1 ILE A 42 1.336 0.658 -4.694 1.00 0.00 C ATOM 0 H ILE A 42 0.788 -1.626 -7.907 1.00 0.00 H new ATOM 0 HA ILE A 42 2.604 -3.029 -6.154 1.00 0.00 H new ATOM 0 HB ILE A 42 0.006 -1.534 -5.646 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.896 -0.711 -5.182 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.933 -0.199 -6.553 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.698 -1.541 -3.283 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.432 -3.191 -3.897 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.088 -2.572 -3.696 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.981 1.528 -4.822 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.329 0.900 -5.033 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.307 0.380 -3.640 1.00 0.00 H new ATOM 646 N LYS A 43 -0.479 -4.105 -6.711 1.00 0.00 N ATOM 647 CA LYS A 43 -1.333 -5.279 -6.642 1.00 0.00 C ATOM 648 C LYS A 43 -0.799 -6.368 -7.561 1.00 0.00 C ATOM 649 O LYS A 43 -0.947 -7.557 -7.281 1.00 0.00 O ATOM 650 CB LYS A 43 -2.775 -4.918 -7.011 1.00 0.00 C ATOM 651 CG LYS A 43 -2.950 -4.437 -8.446 1.00 0.00 C ATOM 652 CD LYS A 43 -3.136 -5.581 -9.440 1.00 0.00 C ATOM 653 CE LYS A 43 -4.512 -6.228 -9.326 1.00 0.00 C ATOM 654 NZ LYS A 43 -4.642 -7.084 -8.115 1.00 0.00 N ATOM 0 H LYS A 43 -0.910 -3.292 -7.151 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.330 -5.655 -5.619 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.408 -5.791 -6.852 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.128 -4.141 -6.333 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.813 -3.774 -8.498 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.079 -3.850 -8.735 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.996 -5.205 -10.454 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.367 -6.335 -9.271 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.275 -5.450 -9.300 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.701 -6.830 -10.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.216 -7.921 -8.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.698 -7.386 -7.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.103 -6.543 -7.356 1.00 0.00 H new ATOM 668 N LYS A 44 -0.170 -5.959 -8.662 1.00 0.00 N ATOM 669 CA LYS A 44 0.386 -6.923 -9.609 1.00 0.00 C ATOM 670 C LYS A 44 1.635 -7.597 -9.046 1.00 0.00 C ATOM 671 O LYS A 44 1.812 -8.806 -9.188 1.00 0.00 O ATOM 672 CB LYS A 44 0.708 -6.251 -10.947 1.00 0.00 C ATOM 673 CG LYS A 44 -0.520 -5.946 -11.791 1.00 0.00 C ATOM 674 CD LYS A 44 -1.232 -7.218 -12.227 1.00 0.00 C ATOM 675 CE LYS A 44 -0.326 -8.104 -13.068 1.00 0.00 C ATOM 676 NZ LYS A 44 -1.027 -9.335 -13.527 1.00 0.00 N ATOM 0 H LYS A 44 -0.034 -4.981 -8.918 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.370 -7.690 -9.776 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.246 -5.323 -10.757 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.377 -6.897 -11.516 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.207 -5.321 -11.221 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.224 -5.374 -12.671 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.567 -7.768 -11.348 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.123 -6.960 -12.799 1.00 0.00 H new ATOM 0 HE2 LYS A 44 0.029 -7.544 -13.933 1.00 0.00 H new ATOM 0 HE3 LYS A 44 0.553 -8.382 -12.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -0.377 -9.913 -14.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.344 -9.883 -12.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.851 -9.071 -14.104 1.00 0.00 H new ATOM 690 N GLU A 45 2.499 -6.815 -8.408 1.00 0.00 N ATOM 691 CA GLU A 45 3.728 -7.353 -7.830 1.00 0.00 C ATOM 692 C GLU A 45 3.436 -8.226 -6.610 1.00 0.00 C ATOM 693 O GLU A 45 4.197 -9.144 -6.301 1.00 0.00 O ATOM 694 CB GLU A 45 4.683 -6.221 -7.449 1.00 0.00 C ATOM 695 CG GLU A 45 5.277 -5.492 -8.646 1.00 0.00 C ATOM 696 CD GLU A 45 6.220 -6.363 -9.453 1.00 0.00 C ATOM 697 OE1 GLU A 45 5.766 -7.396 -9.989 1.00 0.00 O ATOM 698 OE2 GLU A 45 7.415 -6.011 -9.551 1.00 0.00 O ATOM 0 H GLU A 45 2.373 -5.811 -8.278 1.00 0.00 H new ATOM 0 HA GLU A 45 4.202 -7.977 -8.587 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.151 -5.503 -6.825 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.493 -6.629 -6.845 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.470 -5.143 -9.291 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.813 -4.608 -8.299 1.00 0.00 H new ATOM 705 N PHE A 46 2.335 -7.943 -5.920 1.00 0.00 N ATOM 706 CA PHE A 46 1.960 -8.716 -4.738 1.00 0.00 C ATOM 707 C PHE A 46 1.094 -9.918 -5.107 1.00 0.00 C ATOM 708 O PHE A 46 1.244 -10.997 -4.533 1.00 0.00 O ATOM 709 CB PHE A 46 1.227 -7.835 -3.723 1.00 0.00 C ATOM 710 CG PHE A 46 2.135 -6.910 -2.963 1.00 0.00 C ATOM 711 CD1 PHE A 46 3.188 -7.416 -2.216 1.00 0.00 C ATOM 712 CD2 PHE A 46 1.934 -5.539 -2.988 1.00 0.00 C ATOM 713 CE1 PHE A 46 4.022 -6.574 -1.509 1.00 0.00 C ATOM 714 CE2 PHE A 46 2.768 -4.692 -2.282 1.00 0.00 C ATOM 715 CZ PHE A 46 3.813 -5.208 -1.542 1.00 0.00 C ATOM 0 H PHE A 46 1.690 -7.189 -6.156 1.00 0.00 H new ATOM 0 HA PHE A 46 2.880 -9.086 -4.286 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.474 -7.244 -4.244 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.698 -8.473 -3.016 1.00 0.00 H new ATOM 0 HD1 PHE A 46 3.358 -8.482 -2.187 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.118 -5.128 -3.564 1.00 0.00 H new ATOM 0 HE1 PHE A 46 4.837 -6.982 -0.930 1.00 0.00 H new ATOM 0 HE2 PHE A 46 2.602 -3.625 -2.309 1.00 0.00 H new ATOM 0 HZ PHE A 46 4.465 -4.547 -0.991 1.00 0.00 H new ATOM 725 N ASP A 47 0.191 -9.734 -6.064 1.00 0.00 N ATOM 726 CA ASP A 47 -0.688 -10.817 -6.494 1.00 0.00 C ATOM 727 C ASP A 47 0.046 -11.792 -7.409 1.00 0.00 C ATOM 728 O ASP A 47 -0.320 -12.964 -7.501 1.00 0.00 O ATOM 729 CB ASP A 47 -1.922 -10.254 -7.204 1.00 0.00 C ATOM 730 CG ASP A 47 -2.846 -9.514 -6.256 1.00 0.00 C ATOM 731 OD1 ASP A 47 -2.385 -8.554 -5.604 1.00 0.00 O ATOM 732 OD2 ASP A 47 -4.032 -9.893 -6.166 1.00 0.00 O ATOM 0 H ASP A 47 0.048 -8.851 -6.555 1.00 0.00 H new ATOM 0 HA ASP A 47 -1.009 -11.361 -5.605 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.604 -9.579 -7.999 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -2.469 -11.069 -7.678 1.00 0.00 H new ATOM 737 N LYS A 48 1.084 -11.307 -8.081 1.00 0.00 N ATOM 738 CA LYS A 48 1.866 -12.146 -8.985 1.00 0.00 C ATOM 739 C LYS A 48 2.982 -12.873 -8.237 1.00 0.00 C ATOM 740 O LYS A 48 3.608 -13.786 -8.777 1.00 0.00 O ATOM 741 CB LYS A 48 2.463 -11.299 -10.110 1.00 0.00 C ATOM 742 CG LYS A 48 3.276 -12.102 -11.113 1.00 0.00 C ATOM 743 CD LYS A 48 3.837 -11.217 -12.214 1.00 0.00 C ATOM 744 CE LYS A 48 4.655 -12.018 -13.212 1.00 0.00 C ATOM 745 NZ LYS A 48 3.847 -13.085 -13.868 1.00 0.00 N ATOM 0 H LYS A 48 1.404 -10.340 -8.018 1.00 0.00 H new ATOM 0 HA LYS A 48 1.196 -12.892 -9.412 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.656 -10.788 -10.635 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.099 -10.528 -9.674 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.094 -12.607 -10.599 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.649 -12.878 -11.553 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.019 -10.716 -12.732 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.460 -10.438 -11.774 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.056 -11.348 -13.972 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.507 -12.469 -12.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.366 -13.459 -14.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.670 -13.853 -13.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.940 -12.688 -14.185 1.00 0.00 H new ATOM 759 N LYS A 49 3.232 -12.465 -6.993 1.00 0.00 N ATOM 760 CA LYS A 49 4.279 -13.082 -6.185 1.00 0.00 C ATOM 761 C LYS A 49 3.684 -13.898 -5.039 1.00 0.00 C ATOM 762 O LYS A 49 4.003 -15.075 -4.875 1.00 0.00 O ATOM 763 CB LYS A 49 5.215 -12.008 -5.626 1.00 0.00 C ATOM 764 CG LYS A 49 6.338 -12.563 -4.767 1.00 0.00 C ATOM 765 CD LYS A 49 7.222 -13.518 -5.552 1.00 0.00 C ATOM 766 CE LYS A 49 8.344 -14.075 -4.691 1.00 0.00 C ATOM 767 NZ LYS A 49 9.222 -12.999 -4.156 1.00 0.00 N ATOM 0 H LYS A 49 2.725 -11.713 -6.526 1.00 0.00 H new ATOM 0 HA LYS A 49 4.845 -13.757 -6.827 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.647 -11.448 -6.455 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.632 -11.303 -5.034 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.942 -11.742 -4.381 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.916 -13.081 -3.906 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.618 -14.338 -5.940 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.645 -12.999 -6.412 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.918 -14.641 -3.863 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.941 -14.771 -5.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.218 -13.276 -4.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.046 -12.116 -4.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.016 -12.852 -3.147 1.00 0.00 H new ATOM 781 N TYR A 50 2.827 -13.264 -4.246 1.00 0.00 N ATOM 782 CA TYR A 50 2.199 -13.933 -3.111 1.00 0.00 C ATOM 783 C TYR A 50 0.826 -14.494 -3.477 1.00 0.00 C ATOM 784 O TYR A 50 0.031 -14.821 -2.595 1.00 0.00 O ATOM 785 CB TYR A 50 2.071 -12.964 -1.935 1.00 0.00 C ATOM 786 CG TYR A 50 3.398 -12.434 -1.441 1.00 0.00 C ATOM 787 CD1 TYR A 50 4.370 -13.295 -0.947 1.00 0.00 C ATOM 788 CD2 TYR A 50 3.680 -11.074 -1.472 1.00 0.00 C ATOM 789 CE1 TYR A 50 5.585 -12.815 -0.495 1.00 0.00 C ATOM 790 CE2 TYR A 50 4.893 -10.587 -1.023 1.00 0.00 C ATOM 791 CZ TYR A 50 5.842 -11.461 -0.535 1.00 0.00 C ATOM 792 OH TYR A 50 7.050 -10.979 -0.088 1.00 0.00 O ATOM 0 H TYR A 50 2.551 -12.290 -4.367 1.00 0.00 H new ATOM 0 HA TYR A 50 2.836 -14.770 -2.825 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.442 -12.125 -2.233 1.00 0.00 H new ATOM 0 HB3 TYR A 50 1.562 -13.468 -1.113 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.173 -14.356 -0.916 1.00 0.00 H new ATOM 0 HD2 TYR A 50 2.940 -10.386 -1.853 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.329 -13.497 -0.112 1.00 0.00 H new ATOM 0 HE2 TYR A 50 5.097 -9.527 -1.054 1.00 0.00 H new ATOM 0 HH TYR A 50 7.070 -10.004 -0.186 1.00 0.00 H new ATOM 802 N ASN A 51 0.553 -14.610 -4.775 1.00 0.00 N ATOM 803 CA ASN A 51 -0.727 -15.139 -5.240 1.00 0.00 C ATOM 804 C ASN A 51 -1.882 -14.241 -4.793 1.00 0.00 C ATOM 805 O ASN A 51 -1.897 -13.758 -3.661 1.00 0.00 O ATOM 806 CB ASN A 51 -0.932 -16.559 -4.705 1.00 0.00 C ATOM 807 CG ASN A 51 -2.198 -17.206 -5.233 1.00 0.00 C ATOM 808 OD1 ASN A 51 -2.337 -17.435 -6.433 1.00 0.00 O ATOM 809 ND2 ASN A 51 -3.129 -17.502 -4.333 1.00 0.00 N ATOM 0 H ASN A 51 1.198 -14.346 -5.520 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.713 -15.164 -6.330 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -0.074 -17.173 -4.978 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -0.970 -16.531 -3.616 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -4.003 -17.938 -4.628 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -2.970 -17.294 -3.347 1.00 0.00 H new ATOM 816 N PRO A 52 -2.870 -14.001 -5.677 1.00 0.00 N ATOM 817 CA PRO A 52 -4.024 -13.155 -5.351 1.00 0.00 C ATOM 818 C PRO A 52 -4.757 -13.638 -4.097 1.00 0.00 C ATOM 819 O PRO A 52 -4.442 -14.705 -3.571 1.00 0.00 O ATOM 820 CB PRO A 52 -4.926 -13.286 -6.583 1.00 0.00 C ATOM 821 CG PRO A 52 -4.006 -13.678 -7.686 1.00 0.00 C ATOM 822 CD PRO A 52 -2.944 -14.529 -7.051 1.00 0.00 C ATOM 0 HA PRO A 52 -3.729 -12.128 -5.134 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -5.701 -14.037 -6.428 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -5.432 -12.346 -6.805 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.538 -14.230 -8.461 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.570 -12.800 -8.162 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.213 -15.585 -7.063 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -1.990 -14.437 -7.570 1.00 0.00 H new ATOM 830 N THR A 53 -5.734 -12.860 -3.610 1.00 0.00 N ATOM 831 CA THR A 53 -6.123 -11.585 -4.221 1.00 0.00 C ATOM 832 C THR A 53 -5.964 -10.439 -3.229 1.00 0.00 C ATOM 833 O THR A 53 -6.509 -10.477 -2.126 1.00 0.00 O ATOM 834 CB THR A 53 -7.570 -11.656 -4.709 1.00 0.00 C ATOM 835 OG1 THR A 53 -7.730 -12.700 -5.653 1.00 0.00 O ATOM 836 CG2 THR A 53 -8.047 -10.374 -5.359 1.00 0.00 C ATOM 0 H THR A 53 -6.276 -13.099 -2.780 1.00 0.00 H new ATOM 0 HA THR A 53 -5.467 -11.399 -5.072 1.00 0.00 H new ATOM 0 HB THR A 53 -8.167 -11.836 -3.815 1.00 0.00 H new ATOM 0 HG1 THR A 53 -8.663 -12.730 -5.952 1.00 0.00 H new ATOM 0 HG21 THR A 53 -9.081 -10.493 -5.682 1.00 0.00 H new ATOM 0 HG22 THR A 53 -7.983 -9.556 -4.641 1.00 0.00 H new ATOM 0 HG23 THR A 53 -7.421 -10.149 -6.222 1.00 0.00 H new ATOM 844 N TRP A 54 -5.215 -9.418 -3.632 1.00 0.00 N ATOM 845 CA TRP A 54 -4.980 -8.256 -2.784 1.00 0.00 C ATOM 846 C TRP A 54 -5.623 -7.012 -3.391 1.00 0.00 C ATOM 847 O TRP A 54 -6.146 -7.055 -4.505 1.00 0.00 O ATOM 848 CB TRP A 54 -3.476 -8.026 -2.608 1.00 0.00 C ATOM 849 CG TRP A 54 -2.733 -9.233 -2.118 1.00 0.00 C ATOM 850 CD1 TRP A 54 -2.700 -10.464 -2.706 1.00 0.00 C ATOM 851 CD2 TRP A 54 -1.902 -9.322 -0.951 1.00 0.00 C ATOM 852 NE1 TRP A 54 -1.906 -11.316 -1.976 1.00 0.00 N ATOM 853 CE2 TRP A 54 -1.406 -10.639 -0.895 1.00 0.00 C ATOM 854 CE3 TRP A 54 -1.531 -8.421 0.054 1.00 0.00 C ATOM 855 CZ2 TRP A 54 -0.558 -11.074 0.121 1.00 0.00 C ATOM 856 CZ3 TRP A 54 -0.690 -8.854 1.061 1.00 0.00 C ATOM 857 CH2 TRP A 54 -0.211 -10.170 1.087 1.00 0.00 C ATOM 0 H TRP A 54 -4.759 -9.372 -4.543 1.00 0.00 H new ATOM 0 HA TRP A 54 -5.430 -8.445 -1.810 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -3.052 -7.712 -3.562 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -3.323 -7.207 -1.906 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -3.222 -10.730 -3.613 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -1.719 -12.293 -2.202 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -1.896 -7.405 0.042 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.188 -12.088 0.145 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.397 -8.167 1.841 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.446 -10.477 1.887 1.00 0.00 H new ATOM 868 N HIS A 55 -5.580 -5.907 -2.656 1.00 0.00 N ATOM 869 CA HIS A 55 -6.159 -4.654 -3.127 1.00 0.00 C ATOM 870 C HIS A 55 -5.531 -3.459 -2.418 1.00 0.00 C ATOM 871 O HIS A 55 -5.988 -3.051 -1.349 1.00 0.00 O ATOM 872 CB HIS A 55 -7.672 -4.652 -2.908 1.00 0.00 C ATOM 873 CG HIS A 55 -8.387 -5.741 -3.646 1.00 0.00 C ATOM 874 ND1 HIS A 55 -8.373 -5.853 -5.021 1.00 0.00 N ATOM 875 CD2 HIS A 55 -9.141 -6.770 -3.195 1.00 0.00 C ATOM 876 CE1 HIS A 55 -9.088 -6.904 -5.382 1.00 0.00 C ATOM 877 NE2 HIS A 55 -9.565 -7.477 -4.293 1.00 0.00 N ATOM 0 H HIS A 55 -5.151 -5.853 -1.732 1.00 0.00 H new ATOM 0 HA HIS A 55 -5.952 -4.569 -4.194 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -7.876 -4.752 -1.842 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -8.074 -3.688 -3.220 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -9.367 -6.994 -2.163 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -9.254 -7.237 -6.396 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -10.153 -8.310 -4.271 1.00 0.00 H new ATOM 886 N CYS A 56 -4.488 -2.897 -3.018 1.00 0.00 N ATOM 887 CA CYS A 56 -3.806 -1.744 -2.442 1.00 0.00 C ATOM 888 C CYS A 56 -4.588 -0.466 -2.721 1.00 0.00 C ATOM 889 O CYS A 56 -5.091 -0.269 -3.828 1.00 0.00 O ATOM 890 CB CYS A 56 -2.390 -1.625 -3.010 1.00 0.00 C ATOM 891 SG CYS A 56 -1.443 -0.235 -2.349 1.00 0.00 S ATOM 0 H CYS A 56 -4.096 -3.221 -3.902 1.00 0.00 H new ATOM 0 HA CYS A 56 -3.743 -1.887 -1.363 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -1.849 -2.549 -2.805 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -2.452 -1.526 -4.094 1.00 0.00 H new ATOM 0 HG CYS A 56 -1.101 0.558 -3.320 1.00 0.00 H new ATOM 897 N ILE A 57 -4.693 0.401 -1.718 1.00 0.00 N ATOM 898 CA ILE A 57 -5.423 1.653 -1.879 1.00 0.00 C ATOM 899 C ILE A 57 -4.495 2.849 -1.817 1.00 0.00 C ATOM 900 O ILE A 57 -3.505 2.839 -1.089 1.00 0.00 O ATOM 901 CB ILE A 57 -6.502 1.835 -0.805 1.00 0.00 C ATOM 902 CG1 ILE A 57 -7.272 0.540 -0.601 1.00 0.00 C ATOM 903 CG2 ILE A 57 -7.446 2.960 -1.188 1.00 0.00 C ATOM 904 CD1 ILE A 57 -7.833 -0.045 -1.879 1.00 0.00 C ATOM 0 H ILE A 57 -4.286 0.261 -0.793 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.895 1.596 -2.860 1.00 0.00 H new ATOM 0 HB ILE A 57 -6.015 2.098 0.134 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -6.614 -0.193 -0.135 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -8.091 0.721 0.095 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -8.206 3.076 -0.415 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -6.884 3.889 -1.287 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.927 2.724 -2.137 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -8.369 -0.967 -1.653 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -8.518 0.669 -2.336 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -7.017 -0.259 -2.570 1.00 0.00 H new ATOM 916 N VAL A 58 -4.828 3.872 -2.591 1.00 0.00 N ATOM 917 CA VAL A 58 -4.036 5.088 -2.648 1.00 0.00 C ATOM 918 C VAL A 58 -4.872 6.323 -2.311 1.00 0.00 C ATOM 919 O VAL A 58 -5.235 7.103 -3.192 1.00 0.00 O ATOM 920 CB VAL A 58 -3.415 5.252 -4.045 1.00 0.00 C ATOM 921 CG1 VAL A 58 -4.493 5.448 -5.103 1.00 0.00 C ATOM 922 CG2 VAL A 58 -2.415 6.397 -4.064 1.00 0.00 C ATOM 0 H VAL A 58 -5.651 3.881 -3.194 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.246 4.999 -1.903 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.878 4.334 -4.284 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.026 5.561 -6.081 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.154 4.581 -5.114 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.072 6.342 -4.871 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.990 6.492 -5.063 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -2.919 7.325 -3.794 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.618 6.196 -3.348 1.00 0.00 H new ATOM 932 N GLY A 59 -5.174 6.501 -1.028 1.00 0.00 N ATOM 933 CA GLY A 59 -5.961 7.648 -0.608 1.00 0.00 C ATOM 934 C GLY A 59 -6.161 7.703 0.893 1.00 0.00 C ATOM 935 O GLY A 59 -5.371 8.319 1.606 1.00 0.00 O ATOM 0 H GLY A 59 -4.890 5.875 -0.275 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.468 8.562 -0.938 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.934 7.615 -1.099 1.00 0.00 H new ATOM 939 N ARG A 60 -7.222 7.064 1.375 1.00 0.00 N ATOM 940 CA ARG A 60 -7.516 7.051 2.802 1.00 0.00 C ATOM 941 C ARG A 60 -7.901 5.651 3.277 1.00 0.00 C ATOM 942 O ARG A 60 -7.060 4.906 3.782 1.00 0.00 O ATOM 943 CB ARG A 60 -8.632 8.051 3.124 1.00 0.00 C ATOM 944 CG ARG A 60 -8.255 9.495 2.837 1.00 0.00 C ATOM 945 CD ARG A 60 -7.062 9.936 3.670 1.00 0.00 C ATOM 946 NE ARG A 60 -7.331 9.843 5.104 1.00 0.00 N ATOM 947 CZ ARG A 60 -8.223 10.597 5.744 1.00 0.00 C ATOM 948 NH1 ARG A 60 -8.901 11.534 5.093 1.00 0.00 N ATOM 949 NH2 ARG A 60 -8.427 10.422 7.042 1.00 0.00 N ATOM 0 H ARG A 60 -7.890 6.550 0.800 1.00 0.00 H new ATOM 0 HA ARG A 60 -6.612 7.347 3.334 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.518 7.793 2.544 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.901 7.956 4.176 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -8.022 9.608 1.778 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -9.106 10.143 3.047 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -6.199 9.318 3.422 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -6.802 10.964 3.416 1.00 0.00 H new ATOM 0 HE ARG A 60 -6.804 9.159 5.647 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -8.740 11.680 4.096 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -9.583 12.108 5.589 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -7.901 9.711 7.550 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -9.110 10.999 7.533 1.00 0.00 H new ATOM 963 N ASN A 61 -9.174 5.298 3.117 1.00 0.00 N ATOM 964 CA ASN A 61 -9.660 3.983 3.538 1.00 0.00 C ATOM 965 C ASN A 61 -10.841 3.519 2.686 1.00 0.00 C ATOM 966 O ASN A 61 -11.551 2.582 3.056 1.00 0.00 O ATOM 967 CB ASN A 61 -10.092 4.030 5.010 1.00 0.00 C ATOM 968 CG ASN A 61 -11.410 4.776 5.253 1.00 0.00 C ATOM 969 OD1 ASN A 61 -11.921 4.778 6.373 1.00 0.00 O ATOM 970 ND2 ASN A 61 -11.963 5.428 4.223 1.00 0.00 N ATOM 0 H ASN A 61 -9.886 5.899 2.701 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.842 3.274 3.409 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -10.191 3.010 5.381 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -9.304 4.507 5.594 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -12.832 5.945 4.354 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -11.515 5.407 3.307 1.00 0.00 H new ATOM 977 N PHE A 62 -11.076 4.201 1.574 1.00 0.00 N ATOM 978 CA PHE A 62 -12.203 3.880 0.714 1.00 0.00 C ATOM 979 C PHE A 62 -12.137 2.447 0.182 1.00 0.00 C ATOM 980 O PHE A 62 -13.125 1.929 -0.336 1.00 0.00 O ATOM 981 CB PHE A 62 -12.292 4.862 -0.460 1.00 0.00 C ATOM 982 CG PHE A 62 -11.078 4.869 -1.349 1.00 0.00 C ATOM 983 CD1 PHE A 62 -9.913 5.508 -0.955 1.00 0.00 C ATOM 984 CD2 PHE A 62 -11.100 4.223 -2.576 1.00 0.00 C ATOM 985 CE1 PHE A 62 -8.796 5.505 -1.765 1.00 0.00 C ATOM 986 CE2 PHE A 62 -9.983 4.219 -3.392 1.00 0.00 C ATOM 987 CZ PHE A 62 -8.830 4.861 -2.986 1.00 0.00 C ATOM 0 H PHE A 62 -10.502 4.978 1.248 1.00 0.00 H new ATOM 0 HA PHE A 62 -13.099 3.969 1.329 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -13.167 4.615 -1.061 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -12.448 5.867 -0.068 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -9.879 6.015 -0.002 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -11.999 3.718 -2.898 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -7.895 6.006 -1.444 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -10.013 3.714 -4.346 1.00 0.00 H new ATOM 0 HZ PHE A 62 -7.957 4.859 -3.622 1.00 0.00 H new ATOM 997 N GLY A 63 -10.973 1.810 0.299 1.00 0.00 N ATOM 998 CA GLY A 63 -10.825 0.451 -0.191 1.00 0.00 C ATOM 999 C GLY A 63 -10.508 -0.545 0.909 1.00 0.00 C ATOM 1000 O GLY A 63 -9.652 -1.413 0.742 1.00 0.00 O ATOM 0 H GLY A 63 -10.135 2.209 0.722 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.745 0.149 -0.693 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.031 0.424 -0.937 1.00 0.00 H new ATOM 1004 N SER A 64 -11.204 -0.422 2.031 1.00 0.00 N ATOM 1005 CA SER A 64 -10.999 -1.321 3.160 1.00 0.00 C ATOM 1006 C SER A 64 -12.036 -2.441 3.151 1.00 0.00 C ATOM 1007 O SER A 64 -12.858 -2.549 4.062 1.00 0.00 O ATOM 1008 CB SER A 64 -11.071 -0.545 4.478 1.00 0.00 C ATOM 1009 OG SER A 64 -12.335 0.075 4.636 1.00 0.00 O ATOM 0 H SER A 64 -11.916 0.292 2.184 1.00 0.00 H new ATOM 0 HA SER A 64 -10.008 -1.766 3.068 1.00 0.00 H new ATOM 0 HB2 SER A 64 -10.887 -1.222 5.313 1.00 0.00 H new ATOM 0 HB3 SER A 64 -10.286 0.211 4.502 1.00 0.00 H new ATOM 0 HG SER A 64 -13.043 -0.594 4.530 1.00 0.00 H new ATOM 1015 N TYR A 65 -11.995 -3.269 2.113 1.00 0.00 N ATOM 1016 CA TYR A 65 -12.936 -4.379 1.978 1.00 0.00 C ATOM 1017 C TYR A 65 -12.214 -5.723 1.929 1.00 0.00 C ATOM 1018 O TYR A 65 -12.521 -6.571 1.092 1.00 0.00 O ATOM 1019 CB TYR A 65 -13.801 -4.198 0.724 1.00 0.00 C ATOM 1020 CG TYR A 65 -13.040 -4.180 -0.595 1.00 0.00 C ATOM 1021 CD1 TYR A 65 -11.662 -4.401 -0.663 1.00 0.00 C ATOM 1022 CD2 TYR A 65 -13.718 -3.944 -1.786 1.00 0.00 C ATOM 1023 CE1 TYR A 65 -10.996 -4.381 -1.874 1.00 0.00 C ATOM 1024 CE2 TYR A 65 -13.056 -3.924 -2.998 1.00 0.00 C ATOM 1025 CZ TYR A 65 -11.696 -4.142 -3.037 1.00 0.00 C ATOM 1026 OH TYR A 65 -11.033 -4.123 -4.242 1.00 0.00 O ATOM 0 H TYR A 65 -11.321 -3.194 1.352 1.00 0.00 H new ATOM 0 HA TYR A 65 -13.579 -4.376 2.858 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -14.535 -5.003 0.690 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -14.356 -3.264 0.817 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -11.109 -4.590 0.245 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -14.784 -3.773 -1.763 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -9.930 -4.552 -1.909 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -13.602 -3.738 -3.911 1.00 0.00 H new ATOM 0 HH TYR A 65 -11.671 -3.942 -4.964 1.00 0.00 H new ATOM 1036 N VAL A 66 -11.250 -5.905 2.823 1.00 0.00 N ATOM 1037 CA VAL A 66 -10.483 -7.144 2.871 1.00 0.00 C ATOM 1038 C VAL A 66 -10.406 -7.711 4.285 1.00 0.00 C ATOM 1039 O VAL A 66 -10.460 -8.924 4.481 1.00 0.00 O ATOM 1040 CB VAL A 66 -9.057 -6.931 2.331 1.00 0.00 C ATOM 1041 CG1 VAL A 66 -8.249 -8.217 2.415 1.00 0.00 C ATOM 1042 CG2 VAL A 66 -9.105 -6.413 0.901 1.00 0.00 C ATOM 0 H VAL A 66 -10.981 -5.213 3.523 1.00 0.00 H new ATOM 0 HA VAL A 66 -11.007 -7.861 2.239 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.562 -6.184 2.951 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -7.245 -8.042 2.028 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.186 -8.540 3.454 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -8.736 -8.992 1.823 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -8.090 -6.267 0.533 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -9.620 -7.137 0.269 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -9.640 -5.464 0.876 1.00 0.00 H new ATOM 1052 N THR A 67 -10.272 -6.828 5.267 1.00 0.00 N ATOM 1053 CA THR A 67 -10.179 -7.242 6.665 1.00 0.00 C ATOM 1054 C THR A 67 -11.294 -8.218 7.030 1.00 0.00 C ATOM 1055 O THR A 67 -11.140 -9.041 7.933 1.00 0.00 O ATOM 1056 CB THR A 67 -10.244 -6.017 7.579 1.00 0.00 C ATOM 1057 OG1 THR A 67 -9.204 -5.108 7.273 1.00 0.00 O ATOM 1058 CG2 THR A 67 -10.135 -6.359 9.049 1.00 0.00 C ATOM 0 H THR A 67 -10.225 -5.819 5.123 1.00 0.00 H new ATOM 0 HA THR A 67 -9.224 -7.749 6.802 1.00 0.00 H new ATOM 0 HB THR A 67 -11.223 -5.574 7.397 1.00 0.00 H new ATOM 0 HG1 THR A 67 -9.264 -4.331 7.867 1.00 0.00 H new ATOM 0 HG21 THR A 67 -10.188 -5.445 9.640 1.00 0.00 H new ATOM 0 HG22 THR A 67 -10.954 -7.021 9.330 1.00 0.00 H new ATOM 0 HG23 THR A 67 -9.184 -6.858 9.237 1.00 0.00 H new ATOM 1066 N HIS A 68 -12.416 -8.117 6.328 1.00 0.00 N ATOM 1067 CA HIS A 68 -13.559 -8.987 6.584 1.00 0.00 C ATOM 1068 C HIS A 68 -13.405 -10.347 5.899 1.00 0.00 C ATOM 1069 O HIS A 68 -14.326 -11.164 5.922 1.00 0.00 O ATOM 1070 CB HIS A 68 -14.848 -8.313 6.109 1.00 0.00 C ATOM 1071 CG HIS A 68 -16.081 -9.113 6.388 1.00 0.00 C ATOM 1072 ND1 HIS A 68 -16.470 -9.480 7.659 1.00 0.00 N ATOM 1073 CD2 HIS A 68 -17.018 -9.621 5.550 1.00 0.00 C ATOM 1074 CE1 HIS A 68 -17.590 -10.178 7.592 1.00 0.00 C ATOM 1075 NE2 HIS A 68 -17.943 -10.276 6.323 1.00 0.00 N ATOM 0 H HIS A 68 -12.560 -7.442 5.577 1.00 0.00 H new ATOM 0 HA HIS A 68 -13.607 -9.158 7.659 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -14.939 -7.340 6.593 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -14.779 -8.130 5.037 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -17.033 -9.527 4.474 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -18.125 -10.597 8.431 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -18.770 -10.761 5.974 1.00 0.00 H new ATOM 1084 N GLU A 69 -12.244 -10.595 5.292 1.00 0.00 N ATOM 1085 CA GLU A 69 -12.000 -11.864 4.613 1.00 0.00 C ATOM 1086 C GLU A 69 -10.905 -12.657 5.297 1.00 0.00 C ATOM 1087 O GLU A 69 -10.935 -13.888 5.314 1.00 0.00 O ATOM 1088 CB GLU A 69 -11.640 -11.638 3.144 1.00 0.00 C ATOM 1089 CG GLU A 69 -11.416 -12.933 2.377 1.00 0.00 C ATOM 1090 CD GLU A 69 -12.624 -13.847 2.411 1.00 0.00 C ATOM 1091 OE1 GLU A 69 -13.701 -13.425 1.940 1.00 0.00 O ATOM 1092 OE2 GLU A 69 -12.495 -14.985 2.911 1.00 0.00 O ATOM 0 H GLU A 69 -11.464 -9.938 5.257 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.924 -12.441 4.664 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.438 -11.072 2.664 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.738 -11.029 3.087 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.171 -12.699 1.341 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.557 -13.456 2.798 1.00 0.00 H new ATOM 1099 N THR A 70 -9.928 -11.957 5.843 1.00 0.00 N ATOM 1100 CA THR A 70 -8.819 -12.616 6.503 1.00 0.00 C ATOM 1101 C THR A 70 -8.116 -11.660 7.479 1.00 0.00 C ATOM 1102 O THR A 70 -8.580 -11.496 8.605 1.00 0.00 O ATOM 1103 CB THR A 70 -7.885 -13.158 5.423 1.00 0.00 C ATOM 1104 OG1 THR A 70 -8.490 -14.251 4.754 1.00 0.00 O ATOM 1105 CG2 THR A 70 -6.538 -13.623 5.926 1.00 0.00 C ATOM 0 H THR A 70 -9.880 -10.938 5.842 1.00 0.00 H new ATOM 0 HA THR A 70 -9.170 -13.449 7.112 1.00 0.00 H new ATOM 0 HB THR A 70 -7.713 -12.311 4.759 1.00 0.00 H new ATOM 0 HG1 THR A 70 -9.362 -14.441 5.159 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.944 -13.991 5.089 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.019 -12.790 6.401 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.677 -14.424 6.652 1.00 0.00 H new ATOM 1113 N LYS A 71 -7.028 -11.012 7.037 1.00 0.00 N ATOM 1114 CA LYS A 71 -6.287 -10.043 7.876 1.00 0.00 C ATOM 1115 C LYS A 71 -4.825 -9.869 7.436 1.00 0.00 C ATOM 1116 O LYS A 71 -4.082 -9.115 8.065 1.00 0.00 O ATOM 1117 CB LYS A 71 -6.309 -10.414 9.371 1.00 0.00 C ATOM 1118 CG LYS A 71 -5.452 -11.617 9.741 1.00 0.00 C ATOM 1119 CD LYS A 71 -5.868 -12.862 8.984 1.00 0.00 C ATOM 1120 CE LYS A 71 -5.060 -14.072 9.421 1.00 0.00 C ATOM 1121 NZ LYS A 71 -5.449 -15.300 8.674 1.00 0.00 N ATOM 0 H LYS A 71 -6.637 -11.138 6.103 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.814 -9.099 7.734 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.973 -9.554 9.950 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -7.339 -10.614 9.667 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.406 -11.396 9.529 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.528 -11.801 10.813 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.929 -13.052 9.148 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -5.735 -12.701 7.914 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.999 -13.875 9.267 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.202 -14.237 10.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -4.923 -16.115 9.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.470 -15.465 8.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.226 -15.178 7.665 1.00 0.00 H new ATOM 1135 N HIS A 72 -4.406 -10.541 6.365 1.00 0.00 N ATOM 1136 CA HIS A 72 -3.035 -10.413 5.882 1.00 0.00 C ATOM 1137 C HIS A 72 -2.884 -9.126 5.085 1.00 0.00 C ATOM 1138 O HIS A 72 -2.573 -9.147 3.894 1.00 0.00 O ATOM 1139 CB HIS A 72 -2.648 -11.620 5.024 1.00 0.00 C ATOM 1140 CG HIS A 72 -2.356 -12.857 5.817 1.00 0.00 C ATOM 1141 ND1 HIS A 72 -3.269 -13.444 6.666 1.00 0.00 N ATOM 1142 CD2 HIS A 72 -1.240 -13.623 5.882 1.00 0.00 C ATOM 1143 CE1 HIS A 72 -2.729 -14.516 7.219 1.00 0.00 C ATOM 1144 NE2 HIS A 72 -1.500 -14.646 6.760 1.00 0.00 N ATOM 0 H HIS A 72 -4.991 -11.174 5.820 1.00 0.00 H new ATOM 0 HA HIS A 72 -2.365 -10.378 6.741 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -3.457 -11.831 4.324 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -1.771 -11.365 4.430 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -0.318 -13.459 5.344 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -3.212 -15.174 7.926 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -0.848 -15.387 7.016 1.00 0.00 H new ATOM 1153 N PHE A 73 -3.126 -8.005 5.753 1.00 0.00 N ATOM 1154 CA PHE A 73 -3.042 -6.698 5.114 1.00 0.00 C ATOM 1155 C PHE A 73 -1.870 -5.877 5.647 1.00 0.00 C ATOM 1156 O PHE A 73 -1.003 -6.387 6.354 1.00 0.00 O ATOM 1157 CB PHE A 73 -4.339 -5.924 5.346 1.00 0.00 C ATOM 1158 CG PHE A 73 -4.523 -5.541 6.785 1.00 0.00 C ATOM 1159 CD1 PHE A 73 -5.038 -6.444 7.701 1.00 0.00 C ATOM 1160 CD2 PHE A 73 -4.140 -4.288 7.227 1.00 0.00 C ATOM 1161 CE1 PHE A 73 -5.174 -6.097 9.032 1.00 0.00 C ATOM 1162 CE2 PHE A 73 -4.276 -3.933 8.554 1.00 0.00 C ATOM 1163 CZ PHE A 73 -4.793 -4.840 9.458 1.00 0.00 C ATOM 0 H PHE A 73 -3.383 -7.975 6.740 1.00 0.00 H new ATOM 0 HA PHE A 73 -2.884 -6.865 4.048 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -4.338 -5.025 4.730 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.185 -6.531 5.023 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -5.336 -7.428 7.372 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -3.729 -3.578 6.525 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.578 -6.808 9.738 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -3.979 -2.949 8.884 1.00 0.00 H new ATOM 0 HZ PHE A 73 -4.899 -4.566 10.497 1.00 0.00 H new ATOM 1173 N ILE A 74 -1.867 -4.589 5.300 1.00 0.00 N ATOM 1174 CA ILE A 74 -0.820 -3.674 5.733 1.00 0.00 C ATOM 1175 C ILE A 74 -1.198 -2.217 5.439 1.00 0.00 C ATOM 1176 O ILE A 74 -1.897 -1.930 4.467 1.00 0.00 O ATOM 1177 CB ILE A 74 0.514 -3.997 5.033 1.00 0.00 C ATOM 1178 CG1 ILE A 74 1.628 -3.101 5.573 1.00 0.00 C ATOM 1179 CG2 ILE A 74 0.375 -3.839 3.525 1.00 0.00 C ATOM 1180 CD1 ILE A 74 2.949 -3.283 4.858 1.00 0.00 C ATOM 0 H ILE A 74 -2.584 -4.158 4.717 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.706 -3.802 6.809 1.00 0.00 H new ATOM 0 HB ILE A 74 0.777 -5.034 5.244 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.319 -2.059 5.488 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.767 -3.307 6.634 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.326 -4.071 3.046 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.392 -4.520 3.157 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.092 -2.813 3.291 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.693 -2.616 5.293 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.281 -4.316 4.964 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.826 -3.048 3.801 1.00 0.00 H new ATOM 1192 N TYR A 75 -0.721 -1.301 6.283 1.00 0.00 N ATOM 1193 CA TYR A 75 -0.993 0.130 6.118 1.00 0.00 C ATOM 1194 C TYR A 75 0.301 0.940 6.147 1.00 0.00 C ATOM 1195 O TYR A 75 1.280 0.533 6.772 1.00 0.00 O ATOM 1196 CB TYR A 75 -1.915 0.641 7.231 1.00 0.00 C ATOM 1197 CG TYR A 75 -3.378 0.304 7.051 1.00 0.00 C ATOM 1198 CD1 TYR A 75 -3.814 -1.012 6.965 1.00 0.00 C ATOM 1199 CD2 TYR A 75 -4.330 1.315 6.982 1.00 0.00 C ATOM 1200 CE1 TYR A 75 -5.156 -1.310 6.815 1.00 0.00 C ATOM 1201 CE2 TYR A 75 -5.672 1.025 6.831 1.00 0.00 C ATOM 1202 CZ TYR A 75 -6.080 -0.288 6.749 1.00 0.00 C ATOM 1203 OH TYR A 75 -7.417 -0.579 6.605 1.00 0.00 O ATOM 0 H TYR A 75 -0.141 -1.525 7.092 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.480 0.257 5.151 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.576 0.228 8.181 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.812 1.724 7.299 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -3.094 -1.815 7.016 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -4.014 2.346 7.048 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -5.479 -2.338 6.750 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -6.397 1.823 6.778 1.00 0.00 H new ATOM 0 HH TYR A 75 -7.518 -1.417 6.107 1.00 0.00 H new ATOM 1213 N PHE A 76 0.297 2.100 5.489 1.00 0.00 N ATOM 1214 CA PHE A 76 1.473 2.964 5.473 1.00 0.00 C ATOM 1215 C PHE A 76 1.152 4.330 4.866 1.00 0.00 C ATOM 1216 O PHE A 76 0.655 4.432 3.742 1.00 0.00 O ATOM 1217 CB PHE A 76 2.641 2.284 4.750 1.00 0.00 C ATOM 1218 CG PHE A 76 2.303 1.727 3.398 1.00 0.00 C ATOM 1219 CD1 PHE A 76 2.194 2.556 2.294 1.00 0.00 C ATOM 1220 CD2 PHE A 76 2.097 0.368 3.233 1.00 0.00 C ATOM 1221 CE1 PHE A 76 1.891 2.037 1.049 1.00 0.00 C ATOM 1222 CE2 PHE A 76 1.789 -0.157 1.993 1.00 0.00 C ATOM 1223 CZ PHE A 76 1.688 0.679 0.899 1.00 0.00 C ATOM 0 H PHE A 76 -0.501 2.459 4.965 1.00 0.00 H new ATOM 0 HA PHE A 76 1.778 3.135 6.505 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.451 3.005 4.639 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.018 1.476 5.377 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.347 3.619 2.407 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.178 -0.291 4.085 1.00 0.00 H new ATOM 0 HE1 PHE A 76 1.813 2.693 0.194 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.628 -1.219 1.880 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.451 0.272 -0.073 1.00 0.00 H new ATOM 1233 N TYR A 77 1.430 5.372 5.646 1.00 0.00 N ATOM 1234 CA TYR A 77 1.171 6.752 5.239 1.00 0.00 C ATOM 1235 C TYR A 77 2.321 7.304 4.399 1.00 0.00 C ATOM 1236 O TYR A 77 3.456 7.397 4.868 1.00 0.00 O ATOM 1237 CB TYR A 77 0.975 7.614 6.495 1.00 0.00 C ATOM 1238 CG TYR A 77 0.619 9.064 6.232 1.00 0.00 C ATOM 1239 CD1 TYR A 77 0.317 9.522 4.954 1.00 0.00 C ATOM 1240 CD2 TYR A 77 0.578 9.978 7.278 1.00 0.00 C ATOM 1241 CE1 TYR A 77 -0.010 10.846 4.729 1.00 0.00 C ATOM 1242 CE2 TYR A 77 0.251 11.301 7.061 1.00 0.00 C ATOM 1243 CZ TYR A 77 -0.041 11.731 5.785 1.00 0.00 C ATOM 1244 OH TYR A 77 -0.366 13.051 5.564 1.00 0.00 O ATOM 0 H TYR A 77 1.840 5.285 6.576 1.00 0.00 H new ATOM 0 HA TYR A 77 0.270 6.776 4.626 1.00 0.00 H new ATOM 0 HB2 TYR A 77 0.188 7.168 7.104 1.00 0.00 H new ATOM 0 HB3 TYR A 77 1.891 7.582 7.085 1.00 0.00 H new ATOM 0 HD1 TYR A 77 0.338 8.832 4.124 1.00 0.00 H new ATOM 0 HD2 TYR A 77 0.806 9.646 8.280 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -0.240 11.186 3.730 1.00 0.00 H new ATOM 0 HE2 TYR A 77 0.224 11.996 7.887 1.00 0.00 H new ATOM 0 HH TYR A 77 -0.343 13.540 6.413 1.00 0.00 H new ATOM 1254 N LEU A 78 2.020 7.675 3.156 1.00 0.00 N ATOM 1255 CA LEU A 78 3.028 8.224 2.256 1.00 0.00 C ATOM 1256 C LEU A 78 2.694 9.666 1.887 1.00 0.00 C ATOM 1257 O LEU A 78 1.660 9.936 1.277 1.00 0.00 O ATOM 1258 CB LEU A 78 3.129 7.373 0.988 1.00 0.00 C ATOM 1259 CG LEU A 78 3.491 5.906 1.219 1.00 0.00 C ATOM 1260 CD1 LEU A 78 3.547 5.156 -0.103 1.00 0.00 C ATOM 1261 CD2 LEU A 78 4.819 5.791 1.959 1.00 0.00 C ATOM 0 H LEU A 78 1.087 7.605 2.751 1.00 0.00 H new ATOM 0 HA LEU A 78 3.988 8.209 2.772 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.175 7.417 0.462 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.876 7.816 0.330 1.00 0.00 H new ATOM 0 HG LEU A 78 2.715 5.454 1.837 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.806 4.113 0.081 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.574 5.207 -0.592 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.301 5.609 -0.747 1.00 0.00 H new ATOM 0 HD21 LEU A 78 5.059 4.739 2.114 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.606 6.260 1.369 1.00 0.00 H new ATOM 0 HD23 LEU A 78 4.742 6.292 2.924 1.00 0.00 H new ATOM 1273 N GLY A 79 3.575 10.589 2.261 1.00 0.00 N ATOM 1274 CA GLY A 79 3.349 11.991 1.960 1.00 0.00 C ATOM 1275 C GLY A 79 2.063 12.511 2.570 1.00 0.00 C ATOM 1276 O GLY A 79 1.985 12.727 3.779 1.00 0.00 O ATOM 0 H GLY A 79 4.439 10.392 2.766 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.188 12.580 2.331 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.317 12.127 0.879 1.00 0.00 H new ATOM 1280 N GLN A 80 1.050 12.710 1.733 1.00 0.00 N ATOM 1281 CA GLN A 80 -0.241 13.205 2.200 1.00 0.00 C ATOM 1282 C GLN A 80 -1.380 12.287 1.757 1.00 0.00 C ATOM 1283 O GLN A 80 -2.510 12.734 1.560 1.00 0.00 O ATOM 1284 CB GLN A 80 -0.475 14.637 1.709 1.00 0.00 C ATOM 1285 CG GLN A 80 -0.137 14.856 0.242 1.00 0.00 C ATOM 1286 CD GLN A 80 -0.976 14.008 -0.692 1.00 0.00 C ATOM 1287 OE1 GLN A 80 -2.204 14.087 -0.686 1.00 0.00 O ATOM 1288 NE2 GLN A 80 -0.313 13.194 -1.505 1.00 0.00 N ATOM 0 H GLN A 80 1.097 12.536 0.729 1.00 0.00 H new ATOM 0 HA GLN A 80 -0.225 13.211 3.290 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -1.520 14.899 1.872 1.00 0.00 H new ATOM 0 HB3 GLN A 80 0.123 15.319 2.314 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -0.280 15.908 -0.005 1.00 0.00 H new ATOM 0 HG3 GLN A 80 0.917 14.631 0.080 1.00 0.00 H new ATOM 0 HE21 GLN A 80 0.706 13.162 -1.475 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -0.823 12.601 -2.160 1.00 0.00 H new ATOM 1297 N VAL A 81 -1.073 10.998 1.622 1.00 0.00 N ATOM 1298 CA VAL A 81 -2.062 10.003 1.223 1.00 0.00 C ATOM 1299 C VAL A 81 -1.831 8.695 1.972 1.00 0.00 C ATOM 1300 O VAL A 81 -0.702 8.216 2.069 1.00 0.00 O ATOM 1301 CB VAL A 81 -2.024 9.728 -0.297 1.00 0.00 C ATOM 1302 CG1 VAL A 81 -2.977 8.599 -0.667 1.00 0.00 C ATOM 1303 CG2 VAL A 81 -2.367 10.984 -1.081 1.00 0.00 C ATOM 0 H VAL A 81 -0.140 10.618 1.785 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.042 10.409 1.474 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.010 9.424 -0.557 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.933 8.423 -1.742 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.687 7.691 -0.139 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.994 8.874 -0.386 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.334 10.767 -2.149 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.368 11.320 -0.810 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.646 11.767 -0.848 1.00 0.00 H new ATOM 1313 N ALA A 82 -2.908 8.124 2.496 1.00 0.00 N ATOM 1314 CA ALA A 82 -2.823 6.871 3.231 1.00 0.00 C ATOM 1315 C ALA A 82 -3.059 5.684 2.302 1.00 0.00 C ATOM 1316 O ALA A 82 -4.129 5.554 1.708 1.00 0.00 O ATOM 1317 CB ALA A 82 -3.827 6.859 4.374 1.00 0.00 C ATOM 0 H ALA A 82 -3.850 8.509 2.425 1.00 0.00 H new ATOM 0 HA ALA A 82 -1.820 6.785 3.648 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.752 5.915 4.915 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.615 7.684 5.053 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.835 6.968 3.974 1.00 0.00 H new ATOM 1323 N ILE A 83 -2.055 4.823 2.182 1.00 0.00 N ATOM 1324 CA ILE A 83 -2.158 3.652 1.327 1.00 0.00 C ATOM 1325 C ILE A 83 -2.397 2.410 2.172 1.00 0.00 C ATOM 1326 O ILE A 83 -1.777 2.240 3.222 1.00 0.00 O ATOM 1327 CB ILE A 83 -0.882 3.466 0.479 1.00 0.00 C ATOM 1328 CG1 ILE A 83 -0.612 4.720 -0.351 1.00 0.00 C ATOM 1329 CG2 ILE A 83 -0.999 2.245 -0.424 1.00 0.00 C ATOM 1330 CD1 ILE A 83 -0.157 5.906 0.470 1.00 0.00 C ATOM 0 H ILE A 83 -1.162 4.916 2.666 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.000 3.801 0.651 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.043 3.305 1.156 1.00 0.00 H new ATOM 0 HG12 ILE A 83 0.148 4.494 -1.098 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.519 4.990 -0.891 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.086 2.137 -1.010 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.145 1.354 0.186 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.849 2.369 -1.095 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.015 6.759 -0.187 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.926 6.160 1.200 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.768 5.656 0.989 1.00 0.00 H new ATOM 1342 N LEU A 84 -3.305 1.548 1.727 1.00 0.00 N ATOM 1343 CA LEU A 84 -3.609 0.339 2.477 1.00 0.00 C ATOM 1344 C LEU A 84 -3.742 -0.876 1.567 1.00 0.00 C ATOM 1345 O LEU A 84 -4.637 -0.946 0.724 1.00 0.00 O ATOM 1346 CB LEU A 84 -4.883 0.531 3.305 1.00 0.00 C ATOM 1347 CG LEU A 84 -6.048 1.196 2.569 1.00 0.00 C ATOM 1348 CD1 LEU A 84 -7.360 0.920 3.285 1.00 0.00 C ATOM 1349 CD2 LEU A 84 -5.816 2.696 2.463 1.00 0.00 C ATOM 0 H LEU A 84 -3.835 1.662 0.863 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.773 0.152 3.151 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.212 -0.443 3.666 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.639 1.131 4.182 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.106 0.775 1.565 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -8.177 1.401 2.747 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.534 -0.155 3.323 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.311 1.316 4.299 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.652 3.157 1.937 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -5.736 3.123 3.463 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.894 2.884 1.913 1.00 0.00 H new ATOM 1361 N LEU A 85 -2.840 -1.833 1.757 1.00 0.00 N ATOM 1362 CA LEU A 85 -2.833 -3.062 0.976 1.00 0.00 C ATOM 1363 C LEU A 85 -3.311 -4.232 1.825 1.00 0.00 C ATOM 1364 O LEU A 85 -2.900 -4.375 2.976 1.00 0.00 O ATOM 1365 CB LEU A 85 -1.421 -3.341 0.455 1.00 0.00 C ATOM 1366 CG LEU A 85 -1.261 -4.654 -0.310 1.00 0.00 C ATOM 1367 CD1 LEU A 85 -2.148 -4.661 -1.547 1.00 0.00 C ATOM 1368 CD2 LEU A 85 0.195 -4.871 -0.688 1.00 0.00 C ATOM 0 H LEU A 85 -2.097 -1.778 2.454 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.510 -2.942 0.130 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.122 -2.520 -0.197 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.733 -3.344 1.300 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.573 -5.475 0.336 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.022 -5.603 -2.080 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.190 -4.550 -1.248 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.868 -3.834 -2.200 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.293 -5.810 -1.232 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.534 -4.049 -1.319 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.804 -4.910 0.215 1.00 0.00 H new ATOM 1380 N PHE A 86 -4.183 -5.066 1.267 1.00 0.00 N ATOM 1381 CA PHE A 86 -4.699 -6.210 2.016 1.00 0.00 C ATOM 1382 C PHE A 86 -4.606 -7.508 1.223 1.00 0.00 C ATOM 1383 O PHE A 86 -4.215 -7.518 0.058 1.00 0.00 O ATOM 1384 CB PHE A 86 -6.148 -5.987 2.430 1.00 0.00 C ATOM 1385 CG PHE A 86 -6.415 -4.639 3.030 1.00 0.00 C ATOM 1386 CD1 PHE A 86 -6.292 -3.492 2.267 1.00 0.00 C ATOM 1387 CD2 PHE A 86 -6.793 -4.522 4.357 1.00 0.00 C ATOM 1388 CE1 PHE A 86 -6.542 -2.251 2.815 1.00 0.00 C ATOM 1389 CE2 PHE A 86 -7.043 -3.282 4.912 1.00 0.00 C ATOM 1390 CZ PHE A 86 -6.918 -2.146 4.139 1.00 0.00 C ATOM 0 H PHE A 86 -4.543 -4.976 0.317 1.00 0.00 H new ATOM 0 HA PHE A 86 -4.073 -6.300 2.904 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -6.788 -6.117 1.557 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -6.431 -6.755 3.150 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -5.997 -3.569 1.231 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -6.893 -5.409 4.964 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -6.444 -1.363 2.209 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.336 -3.202 5.949 1.00 0.00 H new ATOM 0 HZ PHE A 86 -7.114 -1.175 4.570 1.00 0.00 H new ATOM 1400 N LYS A 87 -4.985 -8.601 1.879 1.00 0.00 N ATOM 1401 CA LYS A 87 -4.971 -9.924 1.267 1.00 0.00 C ATOM 1402 C LYS A 87 -6.190 -10.714 1.735 1.00 0.00 C ATOM 1403 O LYS A 87 -6.120 -11.468 2.704 1.00 0.00 O ATOM 1404 CB LYS A 87 -3.682 -10.667 1.634 1.00 0.00 C ATOM 1405 CG LYS A 87 -3.453 -11.960 0.859 1.00 0.00 C ATOM 1406 CD LYS A 87 -4.471 -13.035 1.212 1.00 0.00 C ATOM 1407 CE LYS A 87 -4.109 -14.370 0.579 1.00 0.00 C ATOM 1408 NZ LYS A 87 -2.777 -14.856 1.031 1.00 0.00 N ATOM 0 H LYS A 87 -5.309 -8.594 2.846 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.008 -9.817 0.183 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.834 -10.003 1.465 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.701 -10.896 2.700 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -3.502 -11.753 -0.210 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -2.449 -12.332 1.066 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -4.524 -13.146 2.295 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -5.460 -12.727 0.874 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -4.870 -15.109 0.831 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -4.109 -14.269 -0.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -2.843 -15.862 1.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -2.085 -14.738 0.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -2.471 -14.308 1.860 1.00 0.00 H new ATOM 1422 N SER A 88 -7.307 -10.525 1.043 1.00 0.00 N ATOM 1423 CA SER A 88 -8.547 -11.208 1.387 1.00 0.00 C ATOM 1424 C SER A 88 -8.460 -12.694 1.048 1.00 0.00 C ATOM 1425 O SER A 88 -8.482 -13.076 -0.121 1.00 0.00 O ATOM 1426 CB SER A 88 -9.719 -10.571 0.637 1.00 0.00 C ATOM 1427 OG SER A 88 -9.585 -10.744 -0.764 1.00 0.00 O ATOM 0 H SER A 88 -7.379 -9.903 0.238 1.00 0.00 H new ATOM 0 HA SER A 88 -8.708 -11.108 2.460 1.00 0.00 H new ATOM 0 HB2 SER A 88 -10.655 -11.017 0.973 1.00 0.00 H new ATOM 0 HB3 SER A 88 -9.770 -9.508 0.872 1.00 0.00 H new ATOM 0 HG SER A 88 -9.219 -11.634 -0.950 1.00 0.00 H new ATOM 1433 N GLY A 89 -8.365 -13.526 2.080 1.00 0.00 N ATOM 1434 CA GLY A 89 -8.278 -14.959 1.871 1.00 0.00 C ATOM 1435 C GLY A 89 -9.621 -15.582 1.549 1.00 0.00 C ATOM 1436 O GLY A 89 -9.892 -16.697 2.043 1.00 0.00 O ATOM 1437 OXT GLY A 89 -10.404 -14.954 0.804 1.00 0.00 O ATOM 0 H GLY A 89 -8.347 -13.233 3.057 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.582 -15.162 1.057 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.868 -15.429 2.765 1.00 0.00 H new TER 1441 GLY A 89