USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=34 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 70 THR OG1 : rot 80:sc= -3.3 USER MOD Set 1.2: A 88 SER OG : rot 90:sc= -0.293 USER MOD Set 2.1: A 17 MET CE :methyl -167:sc= -2.39 (180deg=-2.3!) USER MOD Set 2.2: A 50 TYR OH : rot 150:sc= -0.0642 USER MOD Set 3.1: A 43 LYS NZ :NH3+ 159:sc= 0 (180deg=0) USER MOD Set 3.2: A 55 HIS :FLIP no HD1:sc= -0.248 F(o=-0.94,f=-0.25) USER MOD Set 4.1: A 31 LYS NZ :NH3+ -162:sc= 0.597 (180deg=0) USER MOD Set 4.2: A 41 TYR OH : rot 40:sc= 0.807 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 146:sc= 0.00591 (180deg=-0.309) USER MOD Single : A 2 SER OG : rot 180:sc= -0.21 USER MOD Single : A 5 LYS NZ :NH3+ 166:sc= -0.053 (180deg=-0.305) USER MOD Single : A 9 LYS NZ :NH3+ -167:sc= -0.0195 (180deg=-0.215) USER MOD Single : A 10 ASN :FLIP amide:sc= -0.187 F(o=-1.8,f=-0.19) USER MOD Single : A 13 MET CE :methyl 179:sc= -10.9! (180deg=-11.2!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -5.84! C(o=-5.8!,f=-8.8!) USER MOD Single : A 19 GLN : amide:sc= -0.403 X(o=-0.4,f=0) USER MOD Single : A 24 CYS SG : rot 77:sc= -5.17! USER MOD Single : A 26 THR OG1 : rot 70:sc= 1.32 USER MOD Single : A 27 GLN : amide:sc= -2.01! C(o=-2!,f=-3.2!) USER MOD Single : A 29 MET CE :methyl -159:sc= -2.74! (180deg=-3.96!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -3.1 X(o=-3.1,f=-2.9!) USER MOD Single : A 36 LYS NZ :NH3+ -130:sc= -2.72! (180deg=-5.57!) USER MOD Single : A 44 LYS NZ :NH3+ 158:sc= -0.0961 (180deg=-0.605) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -139:sc= -4.02! (180deg=-6.68!) USER MOD Single : A 51 ASN : amide:sc= -2.54 K(o=-2.5,f=-4.8!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.813 USER MOD Single : A 56 CYS SG : rot 180:sc= -1.8 USER MOD Single : A 61 ASN : amide:sc= -4.78! C(o=-4.8!,f=-5!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS :FLIP no HE2:sc= 0.28 F(o=-1.2,f=0.28) USER MOD Single : A 71 LYS NZ :NH3+ -162:sc= -0.0599 (180deg=-0.465) USER MOD Single : A 72 HIS :FLIP no HD1:sc= -0.0187 F(o=-1.3,f=-0.019) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot -123:sc= 0.899 USER MOD Single : A 80 GLN :FLIP amide:sc= -2.77 F(o=-5.2!,f=-2.8) USER MOD Single : A 87 LYS NZ :NH3+ 170:sc= -1.22 (180deg=-1.32) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.623 20.605 12.318 1.00 0.00 N ATOM 2 CA MET A 1 6.075 19.728 11.249 1.00 0.00 C ATOM 3 C MET A 1 7.184 18.930 10.571 1.00 0.00 C ATOM 4 O MET A 1 8.361 19.275 10.668 1.00 0.00 O ATOM 5 CB MET A 1 5.353 20.604 10.224 1.00 0.00 C ATOM 6 CG MET A 1 6.251 21.638 9.566 1.00 0.00 C ATOM 7 SD MET A 1 5.374 22.654 8.363 1.00 0.00 S ATOM 8 CE MET A 1 6.692 23.727 7.801 1.00 0.00 C ATOM 0 H1 MET A 1 6.069 21.484 12.364 1.00 0.00 H new ATOM 0 H2 MET A 1 6.569 20.113 13.233 1.00 0.00 H new ATOM 0 H3 MET A 1 7.615 20.832 12.106 1.00 0.00 H new ATOM 0 HA MET A 1 5.379 19.015 11.691 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.922 19.966 9.452 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.524 21.115 10.715 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.681 22.281 10.334 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.080 21.132 9.072 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.305 24.416 7.051 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.085 24.293 8.645 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.490 23.126 7.364 1.00 0.00 H new ATOM 20 N SER A 2 6.798 17.858 9.883 1.00 0.00 N ATOM 21 CA SER A 2 7.757 17.011 9.189 1.00 0.00 C ATOM 22 C SER A 2 7.731 17.273 7.686 1.00 0.00 C ATOM 23 O SER A 2 7.023 18.163 7.214 1.00 0.00 O ATOM 24 CB SER A 2 7.459 15.535 9.467 1.00 0.00 C ATOM 25 OG SER A 2 8.387 14.694 8.803 1.00 0.00 O ATOM 0 H SER A 2 5.827 17.558 9.793 1.00 0.00 H new ATOM 0 HA SER A 2 8.752 17.252 9.563 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.498 15.349 10.540 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.447 15.297 9.138 1.00 0.00 H new ATOM 0 HG SER A 2 8.177 13.757 8.998 1.00 0.00 H new ATOM 31 N ASP A 3 8.507 16.493 6.941 1.00 0.00 N ATOM 32 CA ASP A 3 8.573 16.640 5.491 1.00 0.00 C ATOM 33 C ASP A 3 9.072 15.356 4.836 1.00 0.00 C ATOM 34 O ASP A 3 10.256 15.225 4.526 1.00 0.00 O ATOM 35 CB ASP A 3 9.488 17.809 5.119 1.00 0.00 C ATOM 36 CG ASP A 3 10.899 17.630 5.644 1.00 0.00 C ATOM 37 OD1 ASP A 3 11.065 17.527 6.878 1.00 0.00 O ATOM 38 OD2 ASP A 3 11.839 17.593 4.822 1.00 0.00 O ATOM 0 H ASP A 3 9.099 15.752 7.317 1.00 0.00 H new ATOM 0 HA ASP A 3 7.567 16.844 5.124 1.00 0.00 H new ATOM 0 HB2 ASP A 3 9.518 17.912 4.034 1.00 0.00 H new ATOM 0 HB3 ASP A 3 9.070 18.734 5.516 1.00 0.00 H new ATOM 43 N ARG A 4 8.161 14.411 4.631 1.00 0.00 N ATOM 44 CA ARG A 4 8.509 13.136 4.014 1.00 0.00 C ATOM 45 C ARG A 4 7.344 12.592 3.193 1.00 0.00 C ATOM 46 O ARG A 4 6.262 13.179 3.168 1.00 0.00 O ATOM 47 CB ARG A 4 8.909 12.120 5.087 1.00 0.00 C ATOM 48 CG ARG A 4 10.095 12.560 5.928 1.00 0.00 C ATOM 49 CD ARG A 4 10.439 11.526 6.990 1.00 0.00 C ATOM 50 NE ARG A 4 11.573 11.942 7.810 1.00 0.00 N ATOM 51 CZ ARG A 4 12.069 11.219 8.812 1.00 0.00 C ATOM 52 NH1 ARG A 4 11.532 10.044 9.120 1.00 0.00 N ATOM 53 NH2 ARG A 4 13.103 11.670 9.507 1.00 0.00 N ATOM 0 H ARG A 4 7.177 14.503 4.883 1.00 0.00 H new ATOM 0 HA ARG A 4 9.354 13.303 3.346 1.00 0.00 H new ATOM 0 HB2 ARG A 4 8.056 11.941 5.742 1.00 0.00 H new ATOM 0 HB3 ARG A 4 9.147 11.171 4.606 1.00 0.00 H new ATOM 0 HG2 ARG A 4 10.959 12.723 5.284 1.00 0.00 H new ATOM 0 HG3 ARG A 4 9.870 13.513 6.406 1.00 0.00 H new ATOM 0 HD2 ARG A 4 9.571 11.359 7.629 1.00 0.00 H new ATOM 0 HD3 ARG A 4 10.668 10.575 6.509 1.00 0.00 H new ATOM 0 HE ARG A 4 12.011 12.840 7.603 1.00 0.00 H new ATOM 0 HH11 ARG A 4 10.736 9.692 8.588 1.00 0.00 H new ATOM 0 HH12 ARG A 4 11.915 9.494 9.888 1.00 0.00 H new ATOM 0 HH21 ARG A 4 13.520 12.572 9.275 1.00 0.00 H new ATOM 0 HH22 ARG A 4 13.482 11.116 10.275 1.00 0.00 H new ATOM 67 N LYS A 5 7.572 11.466 2.523 1.00 0.00 N ATOM 68 CA LYS A 5 6.541 10.843 1.703 1.00 0.00 C ATOM 69 C LYS A 5 6.718 9.326 1.676 1.00 0.00 C ATOM 70 O LYS A 5 6.861 8.721 0.614 1.00 0.00 O ATOM 71 CB LYS A 5 6.583 11.407 0.279 1.00 0.00 C ATOM 72 CG LYS A 5 5.447 10.919 -0.605 1.00 0.00 C ATOM 73 CD LYS A 5 5.517 11.538 -1.992 1.00 0.00 C ATOM 74 CE LYS A 5 4.361 11.080 -2.867 1.00 0.00 C ATOM 75 NZ LYS A 5 3.042 11.453 -2.284 1.00 0.00 N ATOM 0 H LYS A 5 8.462 10.967 2.533 1.00 0.00 H new ATOM 0 HA LYS A 5 5.569 11.069 2.142 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.552 12.495 0.328 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.533 11.136 -0.182 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.489 9.833 -0.687 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.492 11.167 -0.142 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.502 12.625 -1.908 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.461 11.268 -2.465 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.458 11.523 -3.858 1.00 0.00 H new ATOM 0 HE3 LYS A 5 4.409 9.999 -2.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 2.300 11.342 -3.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 2.833 10.835 -1.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 3.070 12.443 -1.966 1.00 0.00 H new ATOM 89 N ALA A 6 6.709 8.721 2.860 1.00 0.00 N ATOM 90 CA ALA A 6 6.869 7.277 2.990 1.00 0.00 C ATOM 91 C ALA A 6 6.818 6.862 4.456 1.00 0.00 C ATOM 92 O ALA A 6 7.778 7.060 5.200 1.00 0.00 O ATOM 93 CB ALA A 6 8.178 6.828 2.357 1.00 0.00 C ATOM 0 H ALA A 6 6.592 9.211 3.747 1.00 0.00 H new ATOM 0 HA ALA A 6 6.046 6.792 2.466 1.00 0.00 H new ATOM 0 HB1 ALA A 6 8.282 5.748 2.463 1.00 0.00 H new ATOM 0 HB2 ALA A 6 8.180 7.091 1.299 1.00 0.00 H new ATOM 0 HB3 ALA A 6 9.012 7.323 2.855 1.00 0.00 H new ATOM 99 N VAL A 7 5.687 6.298 4.869 1.00 0.00 N ATOM 100 CA VAL A 7 5.511 5.873 6.253 1.00 0.00 C ATOM 101 C VAL A 7 4.497 4.738 6.358 1.00 0.00 C ATOM 102 O VAL A 7 3.724 4.497 5.433 1.00 0.00 O ATOM 103 CB VAL A 7 5.027 7.044 7.130 1.00 0.00 C ATOM 104 CG1 VAL A 7 4.995 6.648 8.597 1.00 0.00 C ATOM 105 CG2 VAL A 7 5.904 8.269 6.919 1.00 0.00 C ATOM 0 H VAL A 7 4.882 6.125 4.267 1.00 0.00 H new ATOM 0 HA VAL A 7 6.482 5.525 6.605 1.00 0.00 H new ATOM 0 HB VAL A 7 4.010 7.296 6.829 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.650 7.492 9.194 1.00 0.00 H new ATOM 0 HG12 VAL A 7 4.316 5.806 8.732 1.00 0.00 H new ATOM 0 HG13 VAL A 7 5.996 6.361 8.918 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.546 9.085 7.547 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.933 8.030 7.186 1.00 0.00 H new ATOM 0 HG23 VAL A 7 5.862 8.571 5.873 1.00 0.00 H new ATOM 115 N ILE A 8 4.499 4.054 7.499 1.00 0.00 N ATOM 116 CA ILE A 8 3.568 2.959 7.738 1.00 0.00 C ATOM 117 C ILE A 8 2.610 3.315 8.871 1.00 0.00 C ATOM 118 O ILE A 8 3.027 3.495 10.016 1.00 0.00 O ATOM 119 CB ILE A 8 4.305 1.650 8.084 1.00 0.00 C ATOM 120 CG1 ILE A 8 5.209 1.231 6.924 1.00 0.00 C ATOM 121 CG2 ILE A 8 3.310 0.545 8.417 1.00 0.00 C ATOM 122 CD1 ILE A 8 5.947 -0.064 7.177 1.00 0.00 C ATOM 0 H ILE A 8 5.137 4.240 8.273 1.00 0.00 H new ATOM 0 HA ILE A 8 3.007 2.803 6.817 1.00 0.00 H new ATOM 0 HB ILE A 8 4.926 1.823 8.963 1.00 0.00 H new ATOM 0 HG12 ILE A 8 4.606 1.127 6.022 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.934 2.023 6.733 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.850 -0.370 8.658 1.00 0.00 H new ATOM 0 HG22 ILE A 8 2.705 0.846 9.272 1.00 0.00 H new ATOM 0 HG23 ILE A 8 2.662 0.368 7.559 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.570 -0.302 6.315 1.00 0.00 H new ATOM 0 HD12 ILE A 8 6.576 0.042 8.061 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.228 -0.867 7.338 1.00 0.00 H new ATOM 134 N LYS A 9 1.330 3.426 8.542 1.00 0.00 N ATOM 135 CA LYS A 9 0.316 3.772 9.529 1.00 0.00 C ATOM 136 C LYS A 9 0.091 2.630 10.515 1.00 0.00 C ATOM 137 O LYS A 9 -0.057 2.858 11.715 1.00 0.00 O ATOM 138 CB LYS A 9 -0.997 4.130 8.833 1.00 0.00 C ATOM 139 CG LYS A 9 -2.092 4.578 9.786 1.00 0.00 C ATOM 140 CD LYS A 9 -3.363 4.943 9.039 1.00 0.00 C ATOM 141 CE LYS A 9 -4.444 5.432 9.988 1.00 0.00 C ATOM 142 NZ LYS A 9 -4.806 4.402 11.002 1.00 0.00 N ATOM 0 H LYS A 9 0.969 3.281 7.599 1.00 0.00 H new ATOM 0 HA LYS A 9 0.673 4.637 10.088 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.810 4.924 8.110 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.348 3.264 8.272 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.304 3.781 10.499 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.747 5.437 10.361 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.145 5.718 8.304 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.725 4.075 8.489 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.101 6.334 10.494 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.331 5.705 9.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.685 4.682 11.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.946 3.485 10.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.040 4.319 11.701 1.00 0.00 H new ATOM 156 N ASN A 10 0.064 1.402 10.004 1.00 0.00 N ATOM 157 CA ASN A 10 -0.146 0.227 10.843 1.00 0.00 C ATOM 158 C ASN A 10 -0.139 -1.044 10.001 1.00 0.00 C ATOM 159 O ASN A 10 -1.186 -1.642 9.751 1.00 0.00 O ATOM 160 CB ASN A 10 -1.475 0.341 11.601 1.00 0.00 C ATOM 161 CG ASN A 10 -1.725 -0.802 12.579 1.00 0.00 C ATOM 162 OD1 ASN A 10 -0.720 -1.643 12.817 1.00 0.00 O flip ATOM 163 ND2 ASN A 10 -2.817 -0.916 13.135 1.00 0.00 N flip ATOM 0 H ASN A 10 0.185 1.195 9.013 1.00 0.00 H new ATOM 0 HA ASN A 10 0.670 0.175 11.563 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -1.492 1.284 12.147 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -2.292 0.376 10.880 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -3.565 -0.254 12.930 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -2.974 -1.672 13.801 1.00 0.00 H new ATOM 170 N ALA A 11 1.046 -1.453 9.565 1.00 0.00 N ATOM 171 CA ALA A 11 1.189 -2.651 8.748 1.00 0.00 C ATOM 172 C ALA A 11 1.139 -3.910 9.604 1.00 0.00 C ATOM 173 O ALA A 11 1.659 -3.931 10.720 1.00 0.00 O ATOM 174 CB ALA A 11 2.490 -2.599 7.966 1.00 0.00 C ATOM 0 H ALA A 11 1.923 -0.972 9.764 1.00 0.00 H new ATOM 0 HA ALA A 11 0.354 -2.685 8.048 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.586 -3.499 7.359 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.490 -1.723 7.318 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.329 -2.538 8.659 1.00 0.00 H new ATOM 180 N ASP A 12 0.514 -4.959 9.078 1.00 0.00 N ATOM 181 CA ASP A 12 0.407 -6.215 9.805 1.00 0.00 C ATOM 182 C ASP A 12 0.437 -7.401 8.841 1.00 0.00 C ATOM 183 O ASP A 12 -0.054 -8.482 9.160 1.00 0.00 O ATOM 184 CB ASP A 12 -0.883 -6.231 10.631 1.00 0.00 C ATOM 185 CG ASP A 12 -0.894 -7.315 11.695 1.00 0.00 C ATOM 186 OD1 ASP A 12 -0.848 -8.508 11.335 1.00 0.00 O ATOM 187 OD2 ASP A 12 -0.950 -6.966 12.893 1.00 0.00 O ATOM 0 H ASP A 12 0.077 -4.963 8.156 1.00 0.00 H new ATOM 0 HA ASP A 12 1.260 -6.303 10.478 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -1.014 -5.260 11.108 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -1.733 -6.376 9.964 1.00 0.00 H new ATOM 192 N MET A 13 1.016 -7.200 7.657 1.00 0.00 N ATOM 193 CA MET A 13 1.092 -8.275 6.671 1.00 0.00 C ATOM 194 C MET A 13 2.522 -8.801 6.540 1.00 0.00 C ATOM 195 O MET A 13 3.028 -8.954 5.431 1.00 0.00 O ATOM 196 CB MET A 13 0.597 -7.799 5.301 1.00 0.00 C ATOM 197 CG MET A 13 0.363 -8.931 4.322 1.00 0.00 C ATOM 198 SD MET A 13 0.084 -8.334 2.651 1.00 0.00 S ATOM 199 CE MET A 13 -1.086 -7.014 2.949 1.00 0.00 C ATOM 0 H MET A 13 1.433 -6.317 7.361 1.00 0.00 H new ATOM 0 HA MET A 13 0.449 -9.082 7.021 1.00 0.00 H new ATOM 0 HB2 MET A 13 -0.331 -7.243 5.431 1.00 0.00 H new ATOM 0 HB3 MET A 13 1.326 -7.108 4.879 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.224 -9.599 4.329 1.00 0.00 H new ATOM 0 HG3 MET A 13 -0.497 -9.517 4.645 1.00 0.00 H new ATOM 0 HE1 MET A 13 -1.342 -6.534 2.004 1.00 0.00 H new ATOM 0 HE2 MET A 13 -1.988 -7.423 3.404 1.00 0.00 H new ATOM 0 HE3 MET A 13 -0.642 -6.279 3.621 1.00 0.00 H new ATOM 209 N SER A 14 3.169 -9.071 7.673 1.00 0.00 N ATOM 210 CA SER A 14 4.535 -9.576 7.676 1.00 0.00 C ATOM 211 C SER A 14 5.516 -8.468 7.329 1.00 0.00 C ATOM 212 O SER A 14 5.500 -7.934 6.223 1.00 0.00 O ATOM 213 CB SER A 14 4.695 -10.748 6.701 1.00 0.00 C ATOM 214 OG SER A 14 6.002 -11.291 6.768 1.00 0.00 O ATOM 0 H SER A 14 2.765 -8.947 8.601 1.00 0.00 H new ATOM 0 HA SER A 14 4.753 -9.937 8.681 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.964 -11.522 6.934 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.489 -10.411 5.685 1.00 0.00 H new ATOM 0 HG SER A 14 6.079 -12.038 6.138 1.00 0.00 H new ATOM 220 N GLU A 15 6.355 -8.129 8.301 1.00 0.00 N ATOM 221 CA GLU A 15 7.366 -7.075 8.151 1.00 0.00 C ATOM 222 C GLU A 15 7.907 -6.975 6.721 1.00 0.00 C ATOM 223 O GLU A 15 8.202 -5.885 6.234 1.00 0.00 O ATOM 224 CB GLU A 15 8.524 -7.319 9.121 1.00 0.00 C ATOM 225 CG GLU A 15 9.233 -8.646 8.901 1.00 0.00 C ATOM 226 CD GLU A 15 10.378 -8.862 9.870 1.00 0.00 C ATOM 227 OE1 GLU A 15 11.320 -8.042 9.869 1.00 0.00 O ATOM 228 OE2 GLU A 15 10.334 -9.852 10.631 1.00 0.00 O ATOM 0 H GLU A 15 6.358 -8.574 9.219 1.00 0.00 H new ATOM 0 HA GLU A 15 6.875 -6.129 8.381 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.247 -6.509 9.021 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.145 -7.284 10.142 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.515 -9.459 9.006 1.00 0.00 H new ATOM 0 HG3 GLU A 15 9.613 -8.686 7.880 1.00 0.00 H new ATOM 235 N ASP A 16 8.037 -8.115 6.054 1.00 0.00 N ATOM 236 CA ASP A 16 8.544 -8.140 4.683 1.00 0.00 C ATOM 237 C ASP A 16 7.729 -7.214 3.783 1.00 0.00 C ATOM 238 O ASP A 16 8.274 -6.547 2.906 1.00 0.00 O ATOM 239 CB ASP A 16 8.522 -9.567 4.131 1.00 0.00 C ATOM 240 CG ASP A 16 9.075 -9.655 2.721 1.00 0.00 C ATOM 241 OD1 ASP A 16 9.474 -8.606 2.171 1.00 0.00 O ATOM 242 OD2 ASP A 16 9.111 -10.774 2.166 1.00 0.00 O ATOM 0 H ASP A 16 7.801 -9.031 6.435 1.00 0.00 H new ATOM 0 HA ASP A 16 9.574 -7.784 4.697 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.103 -10.215 4.787 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.498 -9.940 4.140 1.00 0.00 H new ATOM 247 N MET A 17 6.423 -7.172 4.018 1.00 0.00 N ATOM 248 CA MET A 17 5.532 -6.321 3.239 1.00 0.00 C ATOM 249 C MET A 17 5.690 -4.866 3.645 1.00 0.00 C ATOM 250 O MET A 17 5.353 -3.966 2.882 1.00 0.00 O ATOM 251 CB MET A 17 4.075 -6.767 3.399 1.00 0.00 C ATOM 252 CG MET A 17 3.746 -8.063 2.670 1.00 0.00 C ATOM 253 SD MET A 17 4.760 -9.457 3.203 1.00 0.00 S ATOM 254 CE MET A 17 4.110 -10.765 2.167 1.00 0.00 C ATOM 0 H MET A 17 5.957 -7.718 4.743 1.00 0.00 H new ATOM 0 HA MET A 17 5.805 -6.417 2.188 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.857 -6.892 4.460 1.00 0.00 H new ATOM 0 HB3 MET A 17 3.420 -5.977 3.030 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.695 -8.305 2.829 1.00 0.00 H new ATOM 0 HG3 MET A 17 3.880 -7.914 1.599 1.00 0.00 H new ATOM 0 HE1 MET A 17 4.465 -11.729 2.532 1.00 0.00 H new ATOM 0 HE2 MET A 17 3.021 -10.745 2.196 1.00 0.00 H new ATOM 0 HE3 MET A 17 4.448 -10.619 1.141 1.00 0.00 H new ATOM 264 N GLN A 18 6.237 -4.630 4.831 1.00 0.00 N ATOM 265 CA GLN A 18 6.467 -3.270 5.275 1.00 0.00 C ATOM 266 C GLN A 18 7.597 -2.683 4.449 1.00 0.00 C ATOM 267 O GLN A 18 7.505 -1.563 3.949 1.00 0.00 O ATOM 268 CB GLN A 18 6.805 -3.220 6.767 1.00 0.00 C ATOM 269 CG GLN A 18 5.595 -3.365 7.681 1.00 0.00 C ATOM 270 CD GLN A 18 4.845 -4.670 7.483 1.00 0.00 C ATOM 271 OE1 GLN A 18 4.345 -4.956 6.395 1.00 0.00 O ATOM 272 NE2 GLN A 18 4.750 -5.465 8.542 1.00 0.00 N ATOM 0 H GLN A 18 6.524 -5.353 5.490 1.00 0.00 H new ATOM 0 HA GLN A 18 5.558 -2.685 5.135 1.00 0.00 H new ATOM 0 HB2 GLN A 18 7.517 -4.014 6.995 1.00 0.00 H new ATOM 0 HB3 GLN A 18 7.301 -2.274 6.985 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.922 -3.296 8.719 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.914 -2.532 7.505 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.179 -5.191 9.426 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.248 -6.350 8.472 1.00 0.00 H new ATOM 281 N GLN A 19 8.655 -3.471 4.280 1.00 0.00 N ATOM 282 CA GLN A 19 9.800 -3.048 3.488 1.00 0.00 C ATOM 283 C GLN A 19 9.506 -3.196 1.999 1.00 0.00 C ATOM 284 O GLN A 19 9.980 -2.403 1.183 1.00 0.00 O ATOM 285 CB GLN A 19 11.045 -3.855 3.864 1.00 0.00 C ATOM 286 CG GLN A 19 10.877 -5.355 3.687 1.00 0.00 C ATOM 287 CD GLN A 19 12.143 -6.122 4.016 1.00 0.00 C ATOM 288 OE1 GLN A 19 13.177 -5.941 3.373 1.00 0.00 O ATOM 289 NE2 GLN A 19 12.070 -6.981 5.027 1.00 0.00 N ATOM 0 H GLN A 19 8.741 -4.405 4.682 1.00 0.00 H new ATOM 0 HA GLN A 19 9.991 -1.996 3.702 1.00 0.00 H new ATOM 0 HB2 GLN A 19 11.883 -3.518 3.255 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.302 -3.647 4.903 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.067 -5.705 4.327 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.585 -5.566 2.658 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.192 -7.100 5.533 1.00 0.00 H new ATOM 0 HE22 GLN A 19 12.892 -7.522 5.297 1.00 0.00 H new ATOM 298 N ASP A 20 8.711 -4.206 1.647 1.00 0.00 N ATOM 299 CA ASP A 20 8.357 -4.433 0.254 1.00 0.00 C ATOM 300 C ASP A 20 7.385 -3.359 -0.213 1.00 0.00 C ATOM 301 O ASP A 20 7.557 -2.768 -1.279 1.00 0.00 O ATOM 302 CB ASP A 20 7.738 -5.821 0.075 1.00 0.00 C ATOM 303 CG ASP A 20 7.494 -6.162 -1.382 1.00 0.00 C ATOM 304 OD1 ASP A 20 8.471 -6.170 -2.162 1.00 0.00 O ATOM 305 OD2 ASP A 20 6.328 -6.422 -1.746 1.00 0.00 O ATOM 0 H ASP A 20 8.305 -4.873 2.304 1.00 0.00 H new ATOM 0 HA ASP A 20 9.263 -4.382 -0.350 1.00 0.00 H new ATOM 0 HB2 ASP A 20 8.397 -6.569 0.515 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.795 -5.868 0.619 1.00 0.00 H new ATOM 310 N ALA A 21 6.371 -3.102 0.605 1.00 0.00 N ATOM 311 CA ALA A 21 5.374 -2.086 0.291 1.00 0.00 C ATOM 312 C ALA A 21 6.025 -0.714 0.171 1.00 0.00 C ATOM 313 O ALA A 21 5.695 0.058 -0.728 1.00 0.00 O ATOM 314 CB ALA A 21 4.280 -2.063 1.349 1.00 0.00 C ATOM 0 H ALA A 21 6.218 -3.583 1.491 1.00 0.00 H new ATOM 0 HA ALA A 21 4.921 -2.338 -0.668 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.546 -1.298 1.096 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.791 -3.036 1.388 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.719 -1.838 2.321 1.00 0.00 H new ATOM 320 N VAL A 22 6.958 -0.415 1.077 1.00 0.00 N ATOM 321 CA VAL A 22 7.654 0.869 1.047 1.00 0.00 C ATOM 322 C VAL A 22 8.353 1.069 -0.294 1.00 0.00 C ATOM 323 O VAL A 22 8.079 2.033 -1.008 1.00 0.00 O ATOM 324 CB VAL A 22 8.688 0.996 2.189 1.00 0.00 C ATOM 325 CG1 VAL A 22 9.520 2.262 2.031 1.00 0.00 C ATOM 326 CG2 VAL A 22 7.993 0.990 3.541 1.00 0.00 C ATOM 0 H VAL A 22 7.246 -1.038 1.832 1.00 0.00 H new ATOM 0 HA VAL A 22 6.898 1.642 1.186 1.00 0.00 H new ATOM 0 HB VAL A 22 9.357 0.137 2.135 1.00 0.00 H new ATOM 0 HG11 VAL A 22 10.240 2.328 2.847 1.00 0.00 H new ATOM 0 HG12 VAL A 22 10.051 2.232 1.080 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.865 3.133 2.053 1.00 0.00 H new ATOM 0 HG21 VAL A 22 8.737 1.080 4.333 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.299 1.829 3.597 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.444 0.056 3.664 1.00 0.00 H new ATOM 336 N ASP A 23 9.248 0.149 -0.636 1.00 0.00 N ATOM 337 CA ASP A 23 9.968 0.231 -1.902 1.00 0.00 C ATOM 338 C ASP A 23 9.008 0.050 -3.063 1.00 0.00 C ATOM 339 O ASP A 23 9.207 0.613 -4.136 1.00 0.00 O ATOM 340 CB ASP A 23 11.080 -0.818 -1.961 1.00 0.00 C ATOM 341 CG ASP A 23 12.095 -0.649 -0.849 1.00 0.00 C ATOM 342 OD1 ASP A 23 12.726 0.427 -0.781 1.00 0.00 O ATOM 343 OD2 ASP A 23 12.258 -1.591 -0.045 1.00 0.00 O ATOM 0 H ASP A 23 9.491 -0.657 -0.060 1.00 0.00 H new ATOM 0 HA ASP A 23 10.426 1.218 -1.975 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.640 -1.813 -1.899 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.586 -0.753 -2.924 1.00 0.00 H new ATOM 348 N CYS A 24 7.955 -0.717 -2.842 1.00 0.00 N ATOM 349 CA CYS A 24 6.961 -0.933 -3.877 1.00 0.00 C ATOM 350 C CYS A 24 6.207 0.364 -4.122 1.00 0.00 C ATOM 351 O CYS A 24 5.833 0.676 -5.252 1.00 0.00 O ATOM 352 CB CYS A 24 6.001 -2.052 -3.472 1.00 0.00 C ATOM 353 SG CYS A 24 4.782 -2.468 -4.736 1.00 0.00 S ATOM 0 H CYS A 24 7.767 -1.197 -1.962 1.00 0.00 H new ATOM 0 HA CYS A 24 7.456 -1.238 -4.799 1.00 0.00 H new ATOM 0 HB2 CYS A 24 6.580 -2.944 -3.233 1.00 0.00 H new ATOM 0 HB3 CYS A 24 5.479 -1.757 -2.562 1.00 0.00 H new ATOM 0 HG CYS A 24 5.345 -3.186 -5.662 1.00 0.00 H new ATOM 359 N ALA A 25 6.025 1.132 -3.054 1.00 0.00 N ATOM 360 CA ALA A 25 5.356 2.419 -3.145 1.00 0.00 C ATOM 361 C ALA A 25 6.338 3.474 -3.641 1.00 0.00 C ATOM 362 O ALA A 25 5.942 4.474 -4.243 1.00 0.00 O ATOM 363 CB ALA A 25 4.777 2.817 -1.794 1.00 0.00 C ATOM 0 H ALA A 25 6.333 0.883 -2.114 1.00 0.00 H new ATOM 0 HA ALA A 25 4.532 2.342 -3.855 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.280 3.783 -1.882 1.00 0.00 H new ATOM 0 HB2 ALA A 25 4.056 2.066 -1.472 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.580 2.887 -1.060 1.00 0.00 H new ATOM 369 N THR A 26 7.628 3.232 -3.400 1.00 0.00 N ATOM 370 CA THR A 26 8.672 4.146 -3.838 1.00 0.00 C ATOM 371 C THR A 26 8.878 4.011 -5.340 1.00 0.00 C ATOM 372 O THR A 26 8.874 5.002 -6.071 1.00 0.00 O ATOM 373 CB THR A 26 9.981 3.857 -3.099 1.00 0.00 C ATOM 374 OG1 THR A 26 9.808 3.999 -1.700 1.00 0.00 O ATOM 375 CG2 THR A 26 11.117 4.765 -3.516 1.00 0.00 C ATOM 0 H THR A 26 7.970 2.409 -2.903 1.00 0.00 H new ATOM 0 HA THR A 26 8.364 5.166 -3.609 1.00 0.00 H new ATOM 0 HB THR A 26 10.242 2.832 -3.363 1.00 0.00 H new ATOM 0 HG1 THR A 26 9.250 3.267 -1.363 1.00 0.00 H new ATOM 0 HG21 THR A 26 12.014 4.506 -2.954 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.308 4.642 -4.582 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.848 5.801 -3.313 1.00 0.00 H new ATOM 383 N GLN A 27 9.035 2.772 -5.800 1.00 0.00 N ATOM 384 CA GLN A 27 9.216 2.516 -7.223 1.00 0.00 C ATOM 385 C GLN A 27 7.900 2.704 -7.970 1.00 0.00 C ATOM 386 O GLN A 27 7.893 2.993 -9.166 1.00 0.00 O ATOM 387 CB GLN A 27 9.767 1.107 -7.459 1.00 0.00 C ATOM 388 CG GLN A 27 11.277 1.009 -7.299 1.00 0.00 C ATOM 389 CD GLN A 27 11.758 1.427 -5.923 1.00 0.00 C ATOM 390 OE1 GLN A 27 11.454 0.781 -4.923 1.00 0.00 O ATOM 391 NE2 GLN A 27 12.513 2.518 -5.868 1.00 0.00 N ATOM 0 H GLN A 27 9.040 1.938 -5.213 1.00 0.00 H new ATOM 0 HA GLN A 27 9.941 3.234 -7.607 1.00 0.00 H new ATOM 0 HB2 GLN A 27 9.291 0.418 -6.762 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.495 0.783 -8.463 1.00 0.00 H new ATOM 0 HG2 GLN A 27 11.591 -0.017 -7.491 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.757 1.635 -8.051 1.00 0.00 H new ATOM 0 HE21 GLN A 27 12.741 3.024 -6.724 1.00 0.00 H new ATOM 0 HE22 GLN A 27 12.865 2.850 -4.970 1.00 0.00 H new ATOM 400 N ALA A 28 6.787 2.556 -7.255 1.00 0.00 N ATOM 401 CA ALA A 28 5.472 2.731 -7.858 1.00 0.00 C ATOM 402 C ALA A 28 5.247 4.194 -8.217 1.00 0.00 C ATOM 403 O ALA A 28 4.794 4.513 -9.317 1.00 0.00 O ATOM 404 CB ALA A 28 4.383 2.243 -6.913 1.00 0.00 C ATOM 0 H ALA A 28 6.771 2.317 -6.264 1.00 0.00 H new ATOM 0 HA ALA A 28 5.427 2.137 -8.771 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.408 2.381 -7.380 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.535 1.185 -6.697 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.425 2.812 -5.984 1.00 0.00 H new ATOM 410 N MET A 29 5.581 5.080 -7.285 1.00 0.00 N ATOM 411 CA MET A 29 5.432 6.515 -7.500 1.00 0.00 C ATOM 412 C MET A 29 6.586 7.060 -8.339 1.00 0.00 C ATOM 413 O MET A 29 6.481 8.132 -8.934 1.00 0.00 O ATOM 414 CB MET A 29 5.368 7.252 -6.161 1.00 0.00 C ATOM 415 CG MET A 29 4.182 6.849 -5.300 1.00 0.00 C ATOM 416 SD MET A 29 2.599 7.192 -6.092 1.00 0.00 S ATOM 417 CE MET A 29 1.460 6.648 -4.825 1.00 0.00 C ATOM 0 H MET A 29 5.958 4.829 -6.371 1.00 0.00 H new ATOM 0 HA MET A 29 4.500 6.681 -8.041 1.00 0.00 H new ATOM 0 HB2 MET A 29 6.288 7.064 -5.608 1.00 0.00 H new ATOM 0 HB3 MET A 29 5.322 8.325 -6.348 1.00 0.00 H new ATOM 0 HG2 MET A 29 4.247 5.785 -5.074 1.00 0.00 H new ATOM 0 HG3 MET A 29 4.231 7.380 -4.350 1.00 0.00 H new ATOM 0 HE1 MET A 29 0.488 6.441 -5.274 1.00 0.00 H new ATOM 0 HE2 MET A 29 1.843 5.742 -4.356 1.00 0.00 H new ATOM 0 HE3 MET A 29 1.353 7.429 -4.072 1.00 0.00 H new ATOM 427 N GLU A 30 7.686 6.315 -8.386 1.00 0.00 N ATOM 428 CA GLU A 30 8.853 6.725 -9.155 1.00 0.00 C ATOM 429 C GLU A 30 8.651 6.423 -10.636 1.00 0.00 C ATOM 430 O GLU A 30 8.916 7.265 -11.494 1.00 0.00 O ATOM 431 CB GLU A 30 10.106 6.010 -8.641 1.00 0.00 C ATOM 432 CG GLU A 30 11.368 6.367 -9.409 1.00 0.00 C ATOM 433 CD GLU A 30 12.596 5.653 -8.878 1.00 0.00 C ATOM 434 OE1 GLU A 30 12.928 5.849 -7.690 1.00 0.00 O ATOM 435 OE2 GLU A 30 13.224 4.898 -9.648 1.00 0.00 O ATOM 0 H GLU A 30 7.792 5.424 -7.900 1.00 0.00 H new ATOM 0 HA GLU A 30 8.984 7.800 -9.033 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.249 6.256 -7.589 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.949 4.933 -8.698 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.232 6.115 -10.461 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.528 7.444 -9.357 1.00 0.00 H new ATOM 442 N LYS A 31 8.179 5.217 -10.925 1.00 0.00 N ATOM 443 CA LYS A 31 7.935 4.802 -12.301 1.00 0.00 C ATOM 444 C LYS A 31 6.598 5.335 -12.813 1.00 0.00 C ATOM 445 O LYS A 31 6.364 5.384 -14.021 1.00 0.00 O ATOM 446 CB LYS A 31 7.960 3.276 -12.408 1.00 0.00 C ATOM 447 CG LYS A 31 9.290 2.660 -12.003 1.00 0.00 C ATOM 448 CD LYS A 31 9.267 1.146 -12.141 1.00 0.00 C ATOM 449 CE LYS A 31 10.600 0.530 -11.744 1.00 0.00 C ATOM 450 NZ LYS A 31 10.590 -0.952 -11.882 1.00 0.00 N ATOM 0 H LYS A 31 7.957 4.509 -10.225 1.00 0.00 H new ATOM 0 HA LYS A 31 8.729 5.220 -12.920 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.171 2.863 -11.779 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.733 2.988 -13.435 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.087 3.071 -12.623 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.518 2.929 -10.972 1.00 0.00 H new ATOM 0 HD2 LYS A 31 8.474 0.735 -11.516 1.00 0.00 H new ATOM 0 HD3 LYS A 31 9.033 0.877 -13.171 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.392 0.947 -12.366 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.830 0.797 -10.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.374 -1.357 -11.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.687 -1.328 -11.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.702 -1.208 -12.884 1.00 0.00 H new ATOM 464 N TYR A 32 5.722 5.734 -11.894 1.00 0.00 N ATOM 465 CA TYR A 32 4.413 6.259 -12.270 1.00 0.00 C ATOM 466 C TYR A 32 3.911 7.281 -11.253 1.00 0.00 C ATOM 467 O TYR A 32 4.459 7.402 -10.158 1.00 0.00 O ATOM 468 CB TYR A 32 3.403 5.118 -12.404 1.00 0.00 C ATOM 469 CG TYR A 32 3.761 4.113 -13.476 1.00 0.00 C ATOM 470 CD1 TYR A 32 3.881 4.500 -14.805 1.00 0.00 C ATOM 471 CD2 TYR A 32 3.982 2.779 -13.160 1.00 0.00 C ATOM 472 CE1 TYR A 32 4.207 3.587 -15.787 1.00 0.00 C ATOM 473 CE2 TYR A 32 4.310 1.859 -14.137 1.00 0.00 C ATOM 474 CZ TYR A 32 4.422 2.267 -15.449 1.00 0.00 C ATOM 475 OH TYR A 32 4.746 1.353 -16.425 1.00 0.00 O ATOM 0 H TYR A 32 5.894 5.704 -10.889 1.00 0.00 H new ATOM 0 HA TYR A 32 4.519 6.761 -13.232 1.00 0.00 H new ATOM 0 HB2 TYR A 32 3.322 4.602 -11.447 1.00 0.00 H new ATOM 0 HB3 TYR A 32 2.421 5.537 -12.625 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.716 5.533 -15.074 1.00 0.00 H new ATOM 0 HD2 TYR A 32 3.896 2.455 -12.133 1.00 0.00 H new ATOM 0 HE1 TYR A 32 4.293 3.904 -16.816 1.00 0.00 H new ATOM 0 HE2 TYR A 32 4.478 0.825 -13.874 1.00 0.00 H new ATOM 0 HH TYR A 32 4.865 0.469 -16.019 1.00 0.00 H new ATOM 485 N ASN A 33 2.865 8.013 -11.627 1.00 0.00 N ATOM 486 CA ASN A 33 2.285 9.027 -10.752 1.00 0.00 C ATOM 487 C ASN A 33 0.829 9.302 -11.123 1.00 0.00 C ATOM 488 O ASN A 33 0.405 10.455 -11.202 1.00 0.00 O ATOM 489 CB ASN A 33 3.093 10.323 -10.829 1.00 0.00 C ATOM 490 CG ASN A 33 4.511 10.154 -10.318 1.00 0.00 C ATOM 491 OD1 ASN A 33 4.725 9.822 -9.153 1.00 0.00 O ATOM 492 ND2 ASN A 33 5.484 10.384 -11.190 1.00 0.00 N ATOM 0 H ASN A 33 2.402 7.923 -12.531 1.00 0.00 H new ATOM 0 HA ASN A 33 2.316 8.646 -9.731 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.121 10.669 -11.862 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.590 11.096 -10.248 1.00 0.00 H new ATOM 0 HD21 ASN A 33 6.458 10.287 -10.904 1.00 0.00 H new ATOM 0 HD22 ASN A 33 5.258 10.657 -12.146 1.00 0.00 H new ATOM 499 N ILE A 34 0.067 8.236 -11.348 1.00 0.00 N ATOM 500 CA ILE A 34 -1.341 8.366 -11.711 1.00 0.00 C ATOM 501 C ILE A 34 -2.251 8.144 -10.503 1.00 0.00 C ATOM 502 O ILE A 34 -3.462 8.334 -10.591 1.00 0.00 O ATOM 503 CB ILE A 34 -1.725 7.369 -12.818 1.00 0.00 C ATOM 504 CG1 ILE A 34 -0.745 7.486 -13.986 1.00 0.00 C ATOM 505 CG2 ILE A 34 -3.154 7.619 -13.283 1.00 0.00 C ATOM 506 CD1 ILE A 34 -1.068 6.574 -15.151 1.00 0.00 C ATOM 0 H ILE A 34 0.400 7.274 -11.286 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.479 9.383 -12.079 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.671 6.356 -12.420 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.735 8.518 -14.337 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.260 7.261 -13.629 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.412 6.906 -14.066 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.837 7.497 -12.442 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.237 8.633 -13.674 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.328 6.715 -15.939 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.049 5.537 -14.817 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.059 6.813 -15.536 1.00 0.00 H new ATOM 518 N GLU A 35 -1.656 7.734 -9.384 1.00 0.00 N ATOM 519 CA GLU A 35 -2.400 7.475 -8.150 1.00 0.00 C ATOM 520 C GLU A 35 -3.143 6.146 -8.230 1.00 0.00 C ATOM 521 O GLU A 35 -2.957 5.269 -7.386 1.00 0.00 O ATOM 522 CB GLU A 35 -3.388 8.609 -7.853 1.00 0.00 C ATOM 523 CG GLU A 35 -2.738 9.983 -7.787 1.00 0.00 C ATOM 524 CD GLU A 35 -3.736 11.087 -7.494 1.00 0.00 C ATOM 525 OE1 GLU A 35 -4.937 10.778 -7.339 1.00 0.00 O ATOM 526 OE2 GLU A 35 -3.315 12.260 -7.419 1.00 0.00 O ATOM 0 H GLU A 35 -0.652 7.573 -9.306 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.677 7.423 -7.336 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.159 8.618 -8.623 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.886 8.406 -6.905 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.968 9.980 -7.015 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.239 10.191 -8.734 1.00 0.00 H new ATOM 533 N LYS A 36 -3.978 6.000 -9.250 1.00 0.00 N ATOM 534 CA LYS A 36 -4.744 4.775 -9.440 1.00 0.00 C ATOM 535 C LYS A 36 -3.860 3.674 -10.009 1.00 0.00 C ATOM 536 O LYS A 36 -3.774 2.582 -9.448 1.00 0.00 O ATOM 537 CB LYS A 36 -5.934 5.026 -10.369 1.00 0.00 C ATOM 538 CG LYS A 36 -6.901 6.078 -9.846 1.00 0.00 C ATOM 539 CD LYS A 36 -8.015 6.374 -10.842 1.00 0.00 C ATOM 540 CE LYS A 36 -8.912 5.164 -11.081 1.00 0.00 C ATOM 541 NZ LYS A 36 -8.238 4.104 -11.883 1.00 0.00 N ATOM 0 H LYS A 36 -4.142 6.715 -9.959 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.120 4.454 -8.469 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.563 5.338 -11.345 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.473 4.090 -10.517 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.336 5.736 -8.907 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.355 6.996 -9.629 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.618 7.204 -10.474 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.578 6.693 -11.788 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.220 4.749 -10.121 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.818 5.483 -11.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.857 3.817 -12.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.344 4.473 -12.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.043 3.282 -11.277 1.00 0.00 H new ATOM 555 N ASP A 37 -3.192 3.970 -11.122 1.00 0.00 N ATOM 556 CA ASP A 37 -2.302 3.002 -11.753 1.00 0.00 C ATOM 557 C ASP A 37 -1.255 2.520 -10.755 1.00 0.00 C ATOM 558 O ASP A 37 -0.744 1.404 -10.862 1.00 0.00 O ATOM 559 CB ASP A 37 -1.618 3.619 -12.976 1.00 0.00 C ATOM 560 CG ASP A 37 -2.612 4.042 -14.039 1.00 0.00 C ATOM 561 OD1 ASP A 37 -3.479 4.890 -13.739 1.00 0.00 O ATOM 562 OD2 ASP A 37 -2.524 3.528 -15.173 1.00 0.00 O ATOM 0 H ASP A 37 -3.250 4.868 -11.602 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.897 2.149 -12.081 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.033 4.484 -12.664 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.920 2.898 -13.401 1.00 0.00 H new ATOM 567 N ILE A 38 -0.950 3.366 -9.775 1.00 0.00 N ATOM 568 CA ILE A 38 0.022 3.029 -8.746 1.00 0.00 C ATOM 569 C ILE A 38 -0.441 1.807 -7.962 1.00 0.00 C ATOM 570 O ILE A 38 0.296 0.831 -7.820 1.00 0.00 O ATOM 571 CB ILE A 38 0.240 4.204 -7.771 1.00 0.00 C ATOM 572 CG1 ILE A 38 0.667 5.458 -8.538 1.00 0.00 C ATOM 573 CG2 ILE A 38 1.280 3.842 -6.718 1.00 0.00 C ATOM 574 CD1 ILE A 38 1.969 5.291 -9.290 1.00 0.00 C ATOM 0 H ILE A 38 -1.365 4.292 -9.674 1.00 0.00 H new ATOM 0 HA ILE A 38 0.966 2.811 -9.246 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.702 4.411 -7.263 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.119 5.728 -9.243 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.765 6.287 -7.837 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.419 4.684 -6.040 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.939 2.974 -6.154 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.226 3.609 -7.206 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.210 6.218 -9.810 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.767 5.051 -8.587 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.869 4.483 -10.015 1.00 0.00 H new ATOM 586 N ALA A 39 -1.671 1.864 -7.462 1.00 0.00 N ATOM 587 CA ALA A 39 -2.233 0.758 -6.697 1.00 0.00 C ATOM 588 C ALA A 39 -2.242 -0.527 -7.518 1.00 0.00 C ATOM 589 O ALA A 39 -2.200 -1.626 -6.967 1.00 0.00 O ATOM 590 CB ALA A 39 -3.641 1.099 -6.231 1.00 0.00 C ATOM 0 H ALA A 39 -2.296 2.662 -7.573 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.603 0.596 -5.822 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.048 0.264 -5.661 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.610 1.988 -5.601 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.275 1.290 -7.097 1.00 0.00 H new ATOM 596 N ALA A 40 -2.294 -0.381 -8.841 1.00 0.00 N ATOM 597 CA ALA A 40 -2.303 -1.532 -9.737 1.00 0.00 C ATOM 598 C ALA A 40 -0.910 -2.121 -9.879 1.00 0.00 C ATOM 599 O ALA A 40 -0.735 -3.336 -9.845 1.00 0.00 O ATOM 600 CB ALA A 40 -2.858 -1.141 -11.099 1.00 0.00 C ATOM 0 H ALA A 40 -2.330 0.522 -9.314 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.950 -2.295 -9.303 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.858 -2.011 -11.755 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.878 -0.773 -10.984 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.237 -0.358 -11.534 1.00 0.00 H new ATOM 606 N TYR A 41 0.078 -1.252 -10.021 1.00 0.00 N ATOM 607 CA TYR A 41 1.462 -1.686 -10.151 1.00 0.00 C ATOM 608 C TYR A 41 1.950 -2.278 -8.835 1.00 0.00 C ATOM 609 O TYR A 41 2.776 -3.195 -8.816 1.00 0.00 O ATOM 610 CB TYR A 41 2.341 -0.505 -10.578 1.00 0.00 C ATOM 611 CG TYR A 41 3.821 -0.815 -10.631 1.00 0.00 C ATOM 612 CD1 TYR A 41 4.549 -1.024 -9.467 1.00 0.00 C ATOM 613 CD2 TYR A 41 4.490 -0.898 -11.845 1.00 0.00 C ATOM 614 CE1 TYR A 41 5.902 -1.303 -9.511 1.00 0.00 C ATOM 615 CE2 TYR A 41 5.843 -1.179 -11.899 1.00 0.00 C ATOM 616 CZ TYR A 41 6.543 -1.380 -10.729 1.00 0.00 C ATOM 617 OH TYR A 41 7.890 -1.659 -10.777 1.00 0.00 O ATOM 0 H TYR A 41 -0.052 -0.241 -10.049 1.00 0.00 H new ATOM 0 HA TYR A 41 1.526 -2.458 -10.917 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.018 -0.164 -11.562 1.00 0.00 H new ATOM 0 HB3 TYR A 41 2.180 0.321 -9.886 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.049 -0.968 -8.511 1.00 0.00 H new ATOM 0 HD2 TYR A 41 3.944 -0.740 -12.763 1.00 0.00 H new ATOM 0 HE1 TYR A 41 6.454 -1.460 -8.596 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.348 -1.241 -12.852 1.00 0.00 H new ATOM 0 HH TYR A 41 8.106 -2.347 -10.113 1.00 0.00 H new ATOM 627 N ILE A 42 1.411 -1.763 -7.734 1.00 0.00 N ATOM 628 CA ILE A 42 1.771 -2.246 -6.413 1.00 0.00 C ATOM 629 C ILE A 42 1.081 -3.572 -6.146 1.00 0.00 C ATOM 630 O ILE A 42 1.723 -4.556 -5.775 1.00 0.00 O ATOM 631 CB ILE A 42 1.392 -1.227 -5.317 1.00 0.00 C ATOM 632 CG1 ILE A 42 2.162 0.078 -5.526 1.00 0.00 C ATOM 633 CG2 ILE A 42 1.671 -1.796 -3.929 1.00 0.00 C ATOM 634 CD1 ILE A 42 1.702 1.201 -4.621 1.00 0.00 C ATOM 0 H ILE A 42 0.723 -1.010 -7.735 1.00 0.00 H new ATOM 0 HA ILE A 42 2.852 -2.382 -6.386 1.00 0.00 H new ATOM 0 HB ILE A 42 0.324 -1.021 -5.389 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.223 -0.104 -5.356 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.055 0.392 -6.564 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.396 -1.061 -3.172 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.085 -2.703 -3.783 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.732 -2.031 -3.839 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.291 2.096 -4.823 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.649 1.410 -4.807 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.835 0.907 -3.580 1.00 0.00 H new ATOM 646 N LYS A 43 -0.229 -3.602 -6.367 1.00 0.00 N ATOM 647 CA LYS A 43 -0.988 -4.824 -6.179 1.00 0.00 C ATOM 648 C LYS A 43 -0.495 -5.864 -7.172 1.00 0.00 C ATOM 649 O LYS A 43 -0.435 -7.054 -6.868 1.00 0.00 O ATOM 650 CB LYS A 43 -2.485 -4.573 -6.385 1.00 0.00 C ATOM 651 CG LYS A 43 -2.865 -4.320 -7.836 1.00 0.00 C ATOM 652 CD LYS A 43 -4.354 -4.040 -7.990 1.00 0.00 C ATOM 653 CE LYS A 43 -4.749 -2.730 -7.331 1.00 0.00 C ATOM 654 NZ LYS A 43 -6.220 -2.502 -7.385 1.00 0.00 N ATOM 0 H LYS A 43 -0.779 -2.800 -6.674 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.844 -5.182 -5.160 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.043 -5.433 -6.016 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.787 -3.715 -5.784 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.295 -3.474 -8.219 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.594 -5.186 -8.439 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.611 -4.007 -9.049 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.926 -4.856 -7.549 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.420 -2.733 -6.292 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.236 -1.906 -7.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.493 -1.820 -6.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.479 -2.125 -8.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.717 -3.402 -7.225 1.00 0.00 H new ATOM 668 N LYS A 44 -0.124 -5.394 -8.364 1.00 0.00 N ATOM 669 CA LYS A 44 0.383 -6.271 -9.407 1.00 0.00 C ATOM 670 C LYS A 44 1.588 -7.059 -8.907 1.00 0.00 C ATOM 671 O LYS A 44 1.621 -8.285 -9.009 1.00 0.00 O ATOM 672 CB LYS A 44 0.731 -5.442 -10.651 1.00 0.00 C ATOM 673 CG LYS A 44 1.519 -6.189 -11.716 1.00 0.00 C ATOM 674 CD LYS A 44 2.998 -6.232 -11.378 1.00 0.00 C ATOM 675 CE LYS A 44 3.823 -6.743 -12.547 1.00 0.00 C ATOM 676 NZ LYS A 44 3.669 -5.885 -13.754 1.00 0.00 N ATOM 0 H LYS A 44 -0.167 -4.409 -8.626 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.388 -6.993 -9.678 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.194 -5.074 -11.095 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.305 -4.569 -10.340 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.135 -7.205 -11.810 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.378 -5.705 -12.682 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.338 -5.234 -11.100 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.156 -6.875 -10.512 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.874 -6.781 -12.260 1.00 0.00 H new ATOM 0 HE3 LYS A 44 3.521 -7.763 -12.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 4.487 -6.020 -14.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 2.798 -6.148 -14.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 3.615 -4.887 -13.466 1.00 0.00 H new ATOM 690 N GLU A 45 2.580 -6.354 -8.367 1.00 0.00 N ATOM 691 CA GLU A 45 3.781 -7.012 -7.855 1.00 0.00 C ATOM 692 C GLU A 45 3.433 -8.030 -6.772 1.00 0.00 C ATOM 693 O GLU A 45 3.894 -9.171 -6.811 1.00 0.00 O ATOM 694 CB GLU A 45 4.772 -5.984 -7.305 1.00 0.00 C ATOM 695 CG GLU A 45 5.421 -5.130 -8.381 1.00 0.00 C ATOM 696 CD GLU A 45 6.509 -4.226 -7.832 1.00 0.00 C ATOM 697 OE1 GLU A 45 6.699 -4.205 -6.597 1.00 0.00 O ATOM 698 OE2 GLU A 45 7.171 -3.539 -8.636 1.00 0.00 O ATOM 0 H GLU A 45 2.578 -5.338 -8.273 1.00 0.00 H new ATOM 0 HA GLU A 45 4.247 -7.539 -8.688 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.254 -5.334 -6.600 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.550 -6.504 -6.747 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.845 -5.779 -9.147 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.658 -4.521 -8.865 1.00 0.00 H new ATOM 705 N PHE A 46 2.618 -7.615 -5.806 1.00 0.00 N ATOM 706 CA PHE A 46 2.216 -8.500 -4.718 1.00 0.00 C ATOM 707 C PHE A 46 1.376 -9.671 -5.226 1.00 0.00 C ATOM 708 O PHE A 46 1.275 -10.701 -4.562 1.00 0.00 O ATOM 709 CB PHE A 46 1.441 -7.724 -3.648 1.00 0.00 C ATOM 710 CG PHE A 46 2.316 -6.891 -2.748 1.00 0.00 C ATOM 711 CD1 PHE A 46 3.137 -5.903 -3.267 1.00 0.00 C ATOM 712 CD2 PHE A 46 2.314 -7.102 -1.377 1.00 0.00 C ATOM 713 CE1 PHE A 46 3.939 -5.139 -2.435 1.00 0.00 C ATOM 714 CE2 PHE A 46 3.112 -6.342 -0.542 1.00 0.00 C ATOM 715 CZ PHE A 46 3.926 -5.360 -1.070 1.00 0.00 C ATOM 0 H PHE A 46 2.225 -6.675 -5.755 1.00 0.00 H new ATOM 0 HA PHE A 46 3.126 -8.904 -4.275 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.716 -7.074 -4.138 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.876 -8.429 -3.039 1.00 0.00 H new ATOM 0 HD1 PHE A 46 3.152 -5.726 -4.332 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.681 -7.870 -0.957 1.00 0.00 H new ATOM 0 HE1 PHE A 46 4.574 -4.371 -2.852 1.00 0.00 H new ATOM 0 HE2 PHE A 46 3.099 -6.517 0.524 1.00 0.00 H new ATOM 0 HZ PHE A 46 4.551 -4.766 -0.419 1.00 0.00 H new ATOM 725 N ASP A 47 0.776 -9.514 -6.405 1.00 0.00 N ATOM 726 CA ASP A 47 -0.047 -10.573 -6.984 1.00 0.00 C ATOM 727 C ASP A 47 0.817 -11.634 -7.656 1.00 0.00 C ATOM 728 O ASP A 47 0.479 -12.818 -7.649 1.00 0.00 O ATOM 729 CB ASP A 47 -1.037 -9.995 -8.001 1.00 0.00 C ATOM 730 CG ASP A 47 -2.062 -9.076 -7.365 1.00 0.00 C ATOM 731 OD1 ASP A 47 -1.978 -8.844 -6.143 1.00 0.00 O ATOM 732 OD2 ASP A 47 -2.947 -8.582 -8.096 1.00 0.00 O ATOM 0 H ASP A 47 0.844 -8.670 -6.974 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.603 -11.039 -6.171 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.487 -9.445 -8.765 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.552 -10.813 -8.505 1.00 0.00 H new ATOM 737 N LYS A 48 1.928 -11.205 -8.244 1.00 0.00 N ATOM 738 CA LYS A 48 2.831 -12.122 -8.930 1.00 0.00 C ATOM 739 C LYS A 48 3.899 -12.672 -7.983 1.00 0.00 C ATOM 740 O LYS A 48 4.889 -13.253 -8.428 1.00 0.00 O ATOM 741 CB LYS A 48 3.505 -11.417 -10.111 1.00 0.00 C ATOM 742 CG LYS A 48 2.536 -10.726 -11.064 1.00 0.00 C ATOM 743 CD LYS A 48 1.892 -11.694 -12.051 1.00 0.00 C ATOM 744 CE LYS A 48 0.996 -12.711 -11.361 1.00 0.00 C ATOM 745 NZ LYS A 48 0.210 -13.512 -12.340 1.00 0.00 N ATOM 0 H LYS A 48 2.225 -10.229 -8.260 1.00 0.00 H new ATOM 0 HA LYS A 48 2.236 -12.959 -9.295 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.207 -10.677 -9.725 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.088 -12.148 -10.671 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.756 -10.230 -10.486 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.066 -9.950 -11.616 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.307 -11.132 -12.778 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.672 -12.217 -12.605 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.606 -13.378 -10.752 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.315 -12.195 -10.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.388 -14.193 -11.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.391 -12.878 -12.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.859 -14.025 -12.970 1.00 0.00 H new ATOM 759 N LYS A 49 3.698 -12.492 -6.680 1.00 0.00 N ATOM 760 CA LYS A 49 4.655 -12.981 -5.691 1.00 0.00 C ATOM 761 C LYS A 49 4.008 -13.995 -4.744 1.00 0.00 C ATOM 762 O LYS A 49 4.691 -14.608 -3.925 1.00 0.00 O ATOM 763 CB LYS A 49 5.238 -11.813 -4.893 1.00 0.00 C ATOM 764 CG LYS A 49 6.314 -12.232 -3.902 1.00 0.00 C ATOM 765 CD LYS A 49 7.037 -11.034 -3.297 1.00 0.00 C ATOM 766 CE LYS A 49 6.136 -10.218 -2.380 1.00 0.00 C ATOM 767 NZ LYS A 49 5.056 -9.514 -3.124 1.00 0.00 N ATOM 0 H LYS A 49 2.887 -12.015 -6.286 1.00 0.00 H new ATOM 0 HA LYS A 49 5.460 -13.485 -6.226 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.658 -11.084 -5.586 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.433 -11.314 -4.354 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.862 -12.822 -3.105 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.037 -12.875 -4.404 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.904 -11.381 -2.735 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.411 -10.396 -4.098 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.690 -10.876 -1.634 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.738 -9.487 -1.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.937 -8.555 -2.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.311 -9.453 -4.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.165 -10.041 -3.023 1.00 0.00 H new ATOM 781 N TYR A 50 2.694 -14.168 -4.861 1.00 0.00 N ATOM 782 CA TYR A 50 1.973 -15.114 -4.015 1.00 0.00 C ATOM 783 C TYR A 50 0.777 -15.709 -4.753 1.00 0.00 C ATOM 784 O TYR A 50 0.840 -16.831 -5.255 1.00 0.00 O ATOM 785 CB TYR A 50 1.512 -14.432 -2.724 1.00 0.00 C ATOM 786 CG TYR A 50 2.652 -13.976 -1.844 1.00 0.00 C ATOM 787 CD1 TYR A 50 3.575 -14.886 -1.344 1.00 0.00 C ATOM 788 CD2 TYR A 50 2.804 -12.636 -1.509 1.00 0.00 C ATOM 789 CE1 TYR A 50 4.619 -14.475 -0.539 1.00 0.00 C ATOM 790 CE2 TYR A 50 3.846 -12.218 -0.704 1.00 0.00 C ATOM 791 CZ TYR A 50 4.750 -13.140 -0.221 1.00 0.00 C ATOM 792 OH TYR A 50 5.788 -12.726 0.581 1.00 0.00 O ATOM 0 H TYR A 50 2.109 -13.668 -5.530 1.00 0.00 H new ATOM 0 HA TYR A 50 2.655 -15.926 -3.761 1.00 0.00 H new ATOM 0 HB2 TYR A 50 0.893 -13.572 -2.978 1.00 0.00 H new ATOM 0 HB3 TYR A 50 0.883 -15.123 -2.162 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.474 -15.933 -1.589 1.00 0.00 H new ATOM 0 HD2 TYR A 50 2.097 -11.911 -1.884 1.00 0.00 H new ATOM 0 HE1 TYR A 50 5.329 -15.195 -0.161 1.00 0.00 H new ATOM 0 HE2 TYR A 50 3.952 -11.173 -0.454 1.00 0.00 H new ATOM 0 HH TYR A 50 6.041 -11.810 0.342 1.00 0.00 H new ATOM 802 N ASN A 51 -0.310 -14.950 -4.817 1.00 0.00 N ATOM 803 CA ASN A 51 -1.521 -15.400 -5.494 1.00 0.00 C ATOM 804 C ASN A 51 -2.596 -14.313 -5.459 1.00 0.00 C ATOM 805 O ASN A 51 -2.813 -13.683 -4.425 1.00 0.00 O ATOM 806 CB ASN A 51 -2.049 -16.681 -4.840 1.00 0.00 C ATOM 807 CG ASN A 51 -3.263 -17.240 -5.556 1.00 0.00 C ATOM 808 OD1 ASN A 51 -4.291 -16.575 -5.671 1.00 0.00 O ATOM 809 ND2 ASN A 51 -3.149 -18.471 -6.040 1.00 0.00 N ATOM 0 H ASN A 51 -0.378 -14.018 -4.408 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.274 -15.609 -6.535 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.259 -17.432 -4.830 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.307 -16.475 -3.801 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -3.933 -18.901 -6.530 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -2.277 -18.987 -5.922 1.00 0.00 H new ATOM 816 N PRO A 52 -3.279 -14.073 -6.592 1.00 0.00 N ATOM 817 CA PRO A 52 -4.327 -13.050 -6.677 1.00 0.00 C ATOM 818 C PRO A 52 -5.602 -13.457 -5.936 1.00 0.00 C ATOM 819 O PRO A 52 -5.739 -14.610 -5.528 1.00 0.00 O ATOM 820 CB PRO A 52 -4.592 -12.941 -8.178 1.00 0.00 C ATOM 821 CG PRO A 52 -4.225 -14.277 -8.724 1.00 0.00 C ATOM 822 CD PRO A 52 -3.085 -14.772 -7.877 1.00 0.00 C ATOM 0 HA PRO A 52 -4.020 -12.112 -6.214 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -5.637 -12.704 -8.380 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -3.993 -12.150 -8.630 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -5.071 -14.963 -8.679 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.930 -14.203 -9.771 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.118 -15.854 -7.754 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.120 -14.531 -8.323 1.00 0.00 H new ATOM 830 N THR A 53 -6.542 -12.518 -5.758 1.00 0.00 N ATOM 831 CA THR A 53 -6.396 -11.141 -6.240 1.00 0.00 C ATOM 832 C THR A 53 -6.321 -10.162 -5.072 1.00 0.00 C ATOM 833 O THR A 53 -7.181 -10.161 -4.193 1.00 0.00 O ATOM 834 CB THR A 53 -7.571 -10.775 -7.150 1.00 0.00 C ATOM 835 OG1 THR A 53 -7.639 -11.652 -8.258 1.00 0.00 O ATOM 836 CG2 THR A 53 -7.496 -9.361 -7.688 1.00 0.00 C ATOM 0 H THR A 53 -7.424 -12.693 -5.276 1.00 0.00 H new ATOM 0 HA THR A 53 -5.467 -11.075 -6.807 1.00 0.00 H new ATOM 0 HB THR A 53 -8.458 -10.861 -6.523 1.00 0.00 H new ATOM 0 HG1 THR A 53 -8.397 -11.403 -8.826 1.00 0.00 H new ATOM 0 HG21 THR A 53 -8.359 -9.168 -8.325 1.00 0.00 H new ATOM 0 HG22 THR A 53 -7.493 -8.655 -6.857 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.582 -9.241 -8.269 1.00 0.00 H new ATOM 844 N TRP A 54 -5.291 -9.323 -5.077 1.00 0.00 N ATOM 845 CA TRP A 54 -5.105 -8.328 -4.025 1.00 0.00 C ATOM 846 C TRP A 54 -5.830 -7.037 -4.392 1.00 0.00 C ATOM 847 O TRP A 54 -6.391 -6.921 -5.483 1.00 0.00 O ATOM 848 CB TRP A 54 -3.613 -8.045 -3.819 1.00 0.00 C ATOM 849 CG TRP A 54 -2.806 -9.264 -3.485 1.00 0.00 C ATOM 850 CD1 TRP A 54 -2.804 -10.455 -4.155 1.00 0.00 C ATOM 851 CD2 TRP A 54 -1.858 -9.408 -2.414 1.00 0.00 C ATOM 852 NE1 TRP A 54 -1.925 -11.329 -3.567 1.00 0.00 N ATOM 853 CE2 TRP A 54 -1.332 -10.713 -2.499 1.00 0.00 C ATOM 854 CE3 TRP A 54 -1.404 -8.566 -1.390 1.00 0.00 C ATOM 855 CZ2 TRP A 54 -0.378 -11.192 -1.605 1.00 0.00 C ATOM 856 CZ3 TRP A 54 -0.460 -9.046 -0.510 1.00 0.00 C ATOM 857 CH2 TRP A 54 0.047 -10.345 -0.620 1.00 0.00 C ATOM 0 H TRP A 54 -4.570 -9.312 -5.799 1.00 0.00 H new ATOM 0 HA TRP A 54 -5.521 -8.720 -3.097 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -3.210 -7.591 -4.725 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -3.499 -7.314 -3.018 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -3.408 -10.676 -5.023 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -1.743 -12.284 -3.876 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -1.787 -7.561 -1.293 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.012 -12.196 -1.687 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.103 -8.405 0.283 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.789 -10.685 0.087 1.00 0.00 H new ATOM 868 N HIS A 55 -5.813 -6.068 -3.484 1.00 0.00 N ATOM 869 CA HIS A 55 -6.470 -4.790 -3.732 1.00 0.00 C ATOM 870 C HIS A 55 -5.841 -3.685 -2.892 1.00 0.00 C ATOM 871 O HIS A 55 -6.076 -3.594 -1.688 1.00 0.00 O ATOM 872 CB HIS A 55 -7.967 -4.888 -3.434 1.00 0.00 C ATOM 873 CG HIS A 55 -8.735 -3.660 -3.817 1.00 0.00 C ATOM 874 ND1 HIS A 55 -9.515 -2.835 -3.080 1.00 0.00 N flip ATOM 875 CD2 HIS A 55 -8.756 -3.158 -5.102 1.00 0.00 C flip ATOM 876 CE1 HIS A 55 -9.987 -1.860 -3.925 1.00 0.00 C flip ATOM 877 NE2 HIS A 55 -9.513 -2.077 -5.137 1.00 0.00 N flip ATOM 0 H HIS A 55 -5.355 -6.142 -2.576 1.00 0.00 H new ATOM 0 HA HIS A 55 -6.337 -4.542 -4.785 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -8.380 -5.745 -3.966 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -8.106 -5.076 -2.369 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -8.235 -3.583 -5.947 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -10.640 -1.048 -3.643 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -9.700 -1.506 -5.961 1.00 0.00 H new ATOM 886 N CYS A 56 -5.033 -2.851 -3.537 1.00 0.00 N ATOM 887 CA CYS A 56 -4.361 -1.752 -2.855 1.00 0.00 C ATOM 888 C CYS A 56 -5.170 -0.463 -2.963 1.00 0.00 C ATOM 889 O CYS A 56 -5.851 -0.231 -3.963 1.00 0.00 O ATOM 890 CB CYS A 56 -2.964 -1.545 -3.444 1.00 0.00 C ATOM 891 SG CYS A 56 -2.017 -0.222 -2.654 1.00 0.00 S ATOM 0 H CYS A 56 -4.827 -2.916 -4.534 1.00 0.00 H new ATOM 0 HA CYS A 56 -4.272 -2.010 -1.800 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -2.405 -2.477 -3.361 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -3.059 -1.324 -4.507 1.00 0.00 H new ATOM 0 HG CYS A 56 -0.851 -0.126 -3.220 1.00 0.00 H new ATOM 897 N ILE A 57 -5.092 0.373 -1.931 1.00 0.00 N ATOM 898 CA ILE A 57 -5.819 1.638 -1.921 1.00 0.00 C ATOM 899 C ILE A 57 -4.852 2.813 -1.862 1.00 0.00 C ATOM 900 O ILE A 57 -3.686 2.647 -1.509 1.00 0.00 O ATOM 901 CB ILE A 57 -6.790 1.736 -0.729 1.00 0.00 C ATOM 902 CG1 ILE A 57 -7.451 0.385 -0.460 1.00 0.00 C ATOM 903 CG2 ILE A 57 -7.853 2.787 -1.003 1.00 0.00 C ATOM 904 CD1 ILE A 57 -8.251 -0.142 -1.630 1.00 0.00 C ATOM 0 H ILE A 57 -4.535 0.198 -1.095 1.00 0.00 H new ATOM 0 HA ILE A 57 -6.396 1.675 -2.845 1.00 0.00 H new ATOM 0 HB ILE A 57 -6.221 2.027 0.154 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -6.681 -0.341 -0.201 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -8.107 0.477 0.406 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -8.533 2.847 -0.153 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -7.376 3.755 -1.155 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -8.413 2.514 -1.897 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -8.691 -1.104 -1.366 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -9.044 0.564 -1.876 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -7.596 -0.267 -2.492 1.00 0.00 H new ATOM 916 N VAL A 58 -5.343 3.998 -2.207 1.00 0.00 N ATOM 917 CA VAL A 58 -4.515 5.198 -2.189 1.00 0.00 C ATOM 918 C VAL A 58 -5.341 6.429 -1.822 1.00 0.00 C ATOM 919 O VAL A 58 -5.854 7.129 -2.696 1.00 0.00 O ATOM 920 CB VAL A 58 -3.832 5.429 -3.553 1.00 0.00 C ATOM 921 CG1 VAL A 58 -2.954 6.671 -3.516 1.00 0.00 C ATOM 922 CG2 VAL A 58 -3.018 4.208 -3.952 1.00 0.00 C ATOM 0 H VAL A 58 -6.307 4.153 -2.502 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.746 5.045 -1.432 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.608 5.587 -4.302 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.483 6.813 -4.489 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.565 7.542 -3.278 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.184 6.549 -2.754 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.543 4.387 -4.916 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -2.252 4.019 -3.199 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.675 3.341 -4.027 1.00 0.00 H new ATOM 932 N GLY A 59 -5.459 6.687 -0.522 1.00 0.00 N ATOM 933 CA GLY A 59 -6.220 7.834 -0.060 1.00 0.00 C ATOM 934 C GLY A 59 -6.362 7.866 1.449 1.00 0.00 C ATOM 935 O GLY A 59 -5.552 8.482 2.143 1.00 0.00 O ATOM 0 H GLY A 59 -5.042 6.123 0.218 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.732 8.749 -0.395 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.210 7.816 -0.515 1.00 0.00 H new ATOM 939 N ARG A 60 -7.394 7.201 1.959 1.00 0.00 N ATOM 940 CA ARG A 60 -7.642 7.157 3.395 1.00 0.00 C ATOM 941 C ARG A 60 -8.500 5.949 3.764 1.00 0.00 C ATOM 942 O ARG A 60 -9.642 6.099 4.194 1.00 0.00 O ATOM 943 CB ARG A 60 -8.329 8.444 3.861 1.00 0.00 C ATOM 944 CG ARG A 60 -7.510 9.701 3.614 1.00 0.00 C ATOM 945 CD ARG A 60 -8.219 10.940 4.139 1.00 0.00 C ATOM 946 NE ARG A 60 -7.442 12.157 3.915 1.00 0.00 N ATOM 947 CZ ARG A 60 -6.274 12.413 4.503 1.00 0.00 C ATOM 948 NH1 ARG A 60 -5.768 11.566 5.391 1.00 0.00 N ATOM 949 NH2 ARG A 60 -5.619 13.528 4.213 1.00 0.00 N ATOM 0 H ARG A 60 -8.072 6.685 1.398 1.00 0.00 H new ATOM 0 HA ARG A 60 -6.679 7.066 3.898 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.287 8.539 3.349 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.543 8.365 4.927 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -6.538 9.604 4.098 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -7.325 9.812 2.546 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.189 11.035 3.651 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -8.409 10.823 5.206 1.00 0.00 H new ATOM 0 HE ARG A 60 -7.816 12.853 3.270 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -6.274 10.712 5.627 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -4.873 11.769 5.837 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -6.009 14.188 3.541 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -4.725 13.726 4.662 1.00 0.00 H new ATOM 963 N ASN A 61 -7.936 4.753 3.585 1.00 0.00 N ATOM 964 CA ASN A 61 -8.632 3.499 3.898 1.00 0.00 C ATOM 965 C ASN A 61 -10.031 3.448 3.292 1.00 0.00 C ATOM 966 O ASN A 61 -10.857 2.637 3.713 1.00 0.00 O ATOM 967 CB ASN A 61 -8.764 3.323 5.414 1.00 0.00 C ATOM 968 CG ASN A 61 -9.698 4.352 6.032 1.00 0.00 C ATOM 969 OD1 ASN A 61 -9.262 5.245 6.759 1.00 0.00 O ATOM 970 ND2 ASN A 61 -10.994 4.247 5.722 1.00 0.00 N ATOM 0 H ASN A 61 -6.992 4.624 3.222 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.031 2.698 3.468 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -9.135 2.321 5.631 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -7.780 3.405 5.875 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -11.663 4.922 6.092 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -11.314 3.492 5.116 1.00 0.00 H new ATOM 977 N PHE A 62 -10.322 4.322 2.342 1.00 0.00 N ATOM 978 CA PHE A 62 -11.648 4.357 1.752 1.00 0.00 C ATOM 979 C PHE A 62 -12.006 3.023 1.098 1.00 0.00 C ATOM 980 O PHE A 62 -13.178 2.740 0.851 1.00 0.00 O ATOM 981 CB PHE A 62 -11.746 5.489 0.726 1.00 0.00 C ATOM 982 CG PHE A 62 -10.803 5.332 -0.436 1.00 0.00 C ATOM 983 CD1 PHE A 62 -10.978 4.311 -1.359 1.00 0.00 C ATOM 984 CD2 PHE A 62 -9.732 6.197 -0.598 1.00 0.00 C ATOM 985 CE1 PHE A 62 -10.106 4.158 -2.419 1.00 0.00 C ATOM 986 CE2 PHE A 62 -8.858 6.049 -1.659 1.00 0.00 C ATOM 987 CZ PHE A 62 -9.045 5.029 -2.568 1.00 0.00 C ATOM 0 H PHE A 62 -9.667 5.008 1.967 1.00 0.00 H new ATOM 0 HA PHE A 62 -12.362 4.540 2.555 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -12.768 5.540 0.350 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -11.542 6.437 1.223 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -11.807 3.627 -1.247 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -9.579 6.996 0.113 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -10.254 3.359 -3.130 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.029 6.732 -1.776 1.00 0.00 H new ATOM 0 HZ PHE A 62 -8.362 4.911 -3.396 1.00 0.00 H new ATOM 997 N GLY A 63 -10.991 2.212 0.811 1.00 0.00 N ATOM 998 CA GLY A 63 -11.222 0.926 0.180 1.00 0.00 C ATOM 999 C GLY A 63 -12.213 0.066 0.939 1.00 0.00 C ATOM 1000 O GLY A 63 -13.170 -0.447 0.358 1.00 0.00 O ATOM 0 H GLY A 63 -10.012 2.424 1.005 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.589 1.085 -0.834 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.275 0.393 0.096 1.00 0.00 H new ATOM 1004 N SER A 64 -11.983 -0.100 2.238 1.00 0.00 N ATOM 1005 CA SER A 64 -12.864 -0.914 3.073 1.00 0.00 C ATOM 1006 C SER A 64 -13.120 -2.271 2.420 1.00 0.00 C ATOM 1007 O SER A 64 -14.222 -2.546 1.946 1.00 0.00 O ATOM 1008 CB SER A 64 -14.189 -0.189 3.314 1.00 0.00 C ATOM 1009 OG SER A 64 -13.986 1.036 3.997 1.00 0.00 O ATOM 0 H SER A 64 -11.196 0.317 2.736 1.00 0.00 H new ATOM 0 HA SER A 64 -12.372 -1.077 4.032 1.00 0.00 H new ATOM 0 HB2 SER A 64 -14.682 0.001 2.360 1.00 0.00 H new ATOM 0 HB3 SER A 64 -14.855 -0.827 3.895 1.00 0.00 H new ATOM 0 HG SER A 64 -14.849 1.480 4.137 1.00 0.00 H new ATOM 1015 N TYR A 65 -12.089 -3.107 2.389 1.00 0.00 N ATOM 1016 CA TYR A 65 -12.190 -4.428 1.781 1.00 0.00 C ATOM 1017 C TYR A 65 -11.249 -5.404 2.484 1.00 0.00 C ATOM 1018 O TYR A 65 -10.452 -6.087 1.845 1.00 0.00 O ATOM 1019 CB TYR A 65 -11.836 -4.327 0.294 1.00 0.00 C ATOM 1020 CG TYR A 65 -12.498 -5.366 -0.584 1.00 0.00 C ATOM 1021 CD1 TYR A 65 -12.271 -6.725 -0.402 1.00 0.00 C ATOM 1022 CD2 TYR A 65 -13.350 -4.977 -1.608 1.00 0.00 C ATOM 1023 CE1 TYR A 65 -12.876 -7.663 -1.215 1.00 0.00 C ATOM 1024 CE2 TYR A 65 -13.958 -5.908 -2.425 1.00 0.00 C ATOM 1025 CZ TYR A 65 -13.719 -7.251 -2.225 1.00 0.00 C ATOM 1026 OH TYR A 65 -14.324 -8.183 -3.038 1.00 0.00 O ATOM 0 H TYR A 65 -11.171 -2.893 2.779 1.00 0.00 H new ATOM 0 HA TYR A 65 -13.210 -4.799 1.885 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -12.114 -3.336 -0.066 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.755 -4.414 0.185 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -11.611 -7.053 0.388 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -13.541 -3.926 -1.768 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -12.689 -8.715 -1.060 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -14.618 -5.586 -3.217 1.00 0.00 H new ATOM 0 HH TYR A 65 -14.887 -7.726 -3.697 1.00 0.00 H new ATOM 1036 N VAL A 66 -11.331 -5.447 3.809 1.00 0.00 N ATOM 1037 CA VAL A 66 -10.469 -6.321 4.599 1.00 0.00 C ATOM 1038 C VAL A 66 -11.271 -7.332 5.416 1.00 0.00 C ATOM 1039 O VAL A 66 -10.699 -8.155 6.131 1.00 0.00 O ATOM 1040 CB VAL A 66 -9.589 -5.492 5.554 1.00 0.00 C ATOM 1041 CG1 VAL A 66 -8.597 -6.379 6.293 1.00 0.00 C ATOM 1042 CG2 VAL A 66 -8.869 -4.389 4.793 1.00 0.00 C ATOM 0 H VAL A 66 -11.984 -4.888 4.359 1.00 0.00 H new ATOM 0 HA VAL A 66 -9.843 -6.867 3.893 1.00 0.00 H new ATOM 0 HB VAL A 66 -10.238 -5.028 6.297 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -7.989 -5.768 6.960 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -9.139 -7.123 6.876 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.952 -6.882 5.573 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -8.252 -3.814 5.483 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -8.236 -4.831 4.023 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -9.602 -3.731 4.326 1.00 0.00 H new ATOM 1052 N THR A 67 -12.592 -7.271 5.317 1.00 0.00 N ATOM 1053 CA THR A 67 -13.446 -8.190 6.059 1.00 0.00 C ATOM 1054 C THR A 67 -14.071 -9.226 5.139 1.00 0.00 C ATOM 1055 O THR A 67 -14.355 -10.348 5.557 1.00 0.00 O ATOM 1056 CB THR A 67 -14.538 -7.421 6.803 1.00 0.00 C ATOM 1057 OG1 THR A 67 -13.970 -6.473 7.690 1.00 0.00 O ATOM 1058 CG2 THR A 67 -15.456 -8.312 7.612 1.00 0.00 C ATOM 0 H THR A 67 -13.093 -6.600 4.735 1.00 0.00 H new ATOM 0 HA THR A 67 -12.822 -8.712 6.785 1.00 0.00 H new ATOM 0 HB THR A 67 -15.125 -6.933 6.025 1.00 0.00 H new ATOM 0 HG1 THR A 67 -14.685 -5.990 8.155 1.00 0.00 H new ATOM 0 HG21 THR A 67 -16.207 -7.701 8.114 1.00 0.00 H new ATOM 0 HG22 THR A 67 -15.950 -9.023 6.949 1.00 0.00 H new ATOM 0 HG23 THR A 67 -14.873 -8.855 8.356 1.00 0.00 H new ATOM 1066 N HIS A 68 -14.278 -8.852 3.883 1.00 0.00 N ATOM 1067 CA HIS A 68 -14.863 -9.764 2.907 1.00 0.00 C ATOM 1068 C HIS A 68 -14.152 -11.116 2.933 1.00 0.00 C ATOM 1069 O HIS A 68 -14.753 -12.140 2.613 1.00 0.00 O ATOM 1070 CB HIS A 68 -14.798 -9.158 1.505 1.00 0.00 C ATOM 1071 CG HIS A 68 -15.648 -7.935 1.346 1.00 0.00 C ATOM 1072 ND1 HIS A 68 -15.316 -6.654 1.061 1.00 0.00 N flip ATOM 1073 CD2 HIS A 68 -17.019 -7.952 1.484 1.00 0.00 C flip ATOM 1074 CE1 HIS A 68 -16.482 -5.928 1.034 1.00 0.00 C flip ATOM 1075 NE2 HIS A 68 -17.495 -6.734 1.291 1.00 0.00 N flip ATOM 0 H HIS A 68 -14.051 -7.928 3.517 1.00 0.00 H new ATOM 0 HA HIS A 68 -15.908 -9.921 3.172 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -13.763 -8.905 1.274 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -15.113 -9.907 0.778 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -14.376 -6.295 0.897 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -17.612 -8.825 1.714 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -16.557 -4.869 0.835 1.00 0.00 H new ATOM 1084 N GLU A 69 -12.872 -11.101 3.331 1.00 0.00 N ATOM 1085 CA GLU A 69 -12.051 -12.318 3.423 1.00 0.00 C ATOM 1086 C GLU A 69 -10.571 -11.990 3.254 1.00 0.00 C ATOM 1087 O GLU A 69 -9.867 -12.629 2.472 1.00 0.00 O ATOM 1088 CB GLU A 69 -12.461 -13.365 2.380 1.00 0.00 C ATOM 1089 CG GLU A 69 -12.443 -12.840 0.955 1.00 0.00 C ATOM 1090 CD GLU A 69 -12.856 -13.889 -0.059 1.00 0.00 C ATOM 1091 OE1 GLU A 69 -12.177 -14.934 -0.142 1.00 0.00 O ATOM 1092 OE2 GLU A 69 -13.858 -13.665 -0.770 1.00 0.00 O ATOM 0 H GLU A 69 -12.378 -10.249 3.597 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.219 -12.736 4.415 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.789 -14.220 2.452 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -13.463 -13.726 2.613 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.113 -11.983 0.879 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.441 -12.484 0.716 1.00 0.00 H new ATOM 1099 N THR A 70 -10.106 -10.993 3.991 1.00 0.00 N ATOM 1100 CA THR A 70 -8.712 -10.579 3.926 1.00 0.00 C ATOM 1101 C THR A 70 -7.924 -11.087 5.135 1.00 0.00 C ATOM 1102 O THR A 70 -7.307 -12.149 5.075 1.00 0.00 O ATOM 1103 CB THR A 70 -8.635 -9.055 3.825 1.00 0.00 C ATOM 1104 OG1 THR A 70 -9.170 -8.604 2.592 1.00 0.00 O ATOM 1105 CG2 THR A 70 -7.231 -8.502 3.949 1.00 0.00 C ATOM 0 H THR A 70 -10.675 -10.454 4.643 1.00 0.00 H new ATOM 0 HA THR A 70 -8.259 -11.018 3.037 1.00 0.00 H new ATOM 0 HB THR A 70 -9.219 -8.689 4.669 1.00 0.00 H new ATOM 0 HG1 THR A 70 -10.148 -8.586 2.647 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.259 -7.415 3.867 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.814 -8.782 4.916 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.608 -8.910 3.153 1.00 0.00 H new ATOM 1113 N LYS A 71 -7.941 -10.316 6.224 1.00 0.00 N ATOM 1114 CA LYS A 71 -7.221 -10.673 7.453 1.00 0.00 C ATOM 1115 C LYS A 71 -5.713 -10.442 7.312 1.00 0.00 C ATOM 1116 O LYS A 71 -4.988 -10.427 8.307 1.00 0.00 O ATOM 1117 CB LYS A 71 -7.491 -12.130 7.853 1.00 0.00 C ATOM 1118 CG LYS A 71 -8.935 -12.411 8.251 1.00 0.00 C ATOM 1119 CD LYS A 71 -9.900 -12.172 7.099 1.00 0.00 C ATOM 1120 CE LYS A 71 -11.314 -12.592 7.464 1.00 0.00 C ATOM 1121 NZ LYS A 71 -11.393 -14.036 7.816 1.00 0.00 N ATOM 0 H LYS A 71 -8.449 -9.433 6.282 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.596 -10.019 8.240 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.223 -12.779 7.020 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.839 -12.393 8.686 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.023 -13.443 8.590 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.210 -11.775 9.092 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.891 -11.116 6.828 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.568 -12.729 6.223 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.664 -11.994 8.305 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -11.981 -12.386 6.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.382 -14.353 7.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.814 -14.588 7.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.038 -14.177 8.783 1.00 0.00 H new ATOM 1135 N HIS A 72 -5.250 -10.247 6.079 1.00 0.00 N ATOM 1136 CA HIS A 72 -3.840 -10.004 5.806 1.00 0.00 C ATOM 1137 C HIS A 72 -3.692 -8.687 5.061 1.00 0.00 C ATOM 1138 O HIS A 72 -3.587 -8.666 3.835 1.00 0.00 O ATOM 1139 CB HIS A 72 -3.248 -11.139 4.967 1.00 0.00 C ATOM 1140 CG HIS A 72 -3.253 -12.475 5.646 1.00 0.00 C ATOM 1141 ND1 HIS A 72 -3.610 -12.834 6.903 1.00 0.00 N flip ATOM 1142 CD2 HIS A 72 -2.843 -13.634 5.022 1.00 0.00 C flip ATOM 1143 CE1 HIS A 72 -3.414 -14.190 7.010 1.00 0.00 C flip ATOM 1144 NE2 HIS A 72 -2.952 -14.647 5.862 1.00 0.00 N flip ATOM 0 H HIS A 72 -5.840 -10.253 5.247 1.00 0.00 H new ATOM 0 HA HIS A 72 -3.302 -9.957 6.753 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -3.808 -11.216 4.035 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -2.222 -10.883 4.703 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -2.488 -13.703 4.004 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -3.607 -14.785 7.891 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -2.718 -15.619 5.658 1.00 0.00 H new ATOM 1153 N PHE A 73 -3.716 -7.590 5.806 1.00 0.00 N ATOM 1154 CA PHE A 73 -3.611 -6.261 5.215 1.00 0.00 C ATOM 1155 C PHE A 73 -2.323 -5.558 5.632 1.00 0.00 C ATOM 1156 O PHE A 73 -1.611 -6.017 6.523 1.00 0.00 O ATOM 1157 CB PHE A 73 -4.816 -5.412 5.637 1.00 0.00 C ATOM 1158 CG PHE A 73 -4.797 -5.028 7.094 1.00 0.00 C ATOM 1159 CD1 PHE A 73 -3.872 -4.111 7.568 1.00 0.00 C ATOM 1160 CD2 PHE A 73 -5.689 -5.596 7.990 1.00 0.00 C ATOM 1161 CE1 PHE A 73 -3.835 -3.765 8.901 1.00 0.00 C ATOM 1162 CE2 PHE A 73 -5.659 -5.252 9.328 1.00 0.00 C ATOM 1163 CZ PHE A 73 -4.731 -4.336 9.785 1.00 0.00 C ATOM 0 H PHE A 73 -3.807 -7.593 6.822 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.596 -6.378 4.131 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -4.843 -4.507 5.031 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.732 -5.964 5.426 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -3.170 -3.661 6.882 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -6.415 -6.315 7.639 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -3.108 -3.049 9.254 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -6.361 -5.699 10.016 1.00 0.00 H new ATOM 0 HZ PHE A 73 -4.706 -4.067 10.831 1.00 0.00 H new ATOM 1173 N ILE A 74 -2.055 -4.423 4.995 1.00 0.00 N ATOM 1174 CA ILE A 74 -0.876 -3.624 5.303 1.00 0.00 C ATOM 1175 C ILE A 74 -1.169 -2.138 5.109 1.00 0.00 C ATOM 1176 O ILE A 74 -1.306 -1.665 3.980 1.00 0.00 O ATOM 1177 CB ILE A 74 0.334 -4.030 4.431 1.00 0.00 C ATOM 1178 CG1 ILE A 74 1.532 -3.123 4.721 1.00 0.00 C ATOM 1179 CG2 ILE A 74 -0.025 -3.981 2.957 1.00 0.00 C ATOM 1180 CD1 ILE A 74 2.752 -3.445 3.885 1.00 0.00 C ATOM 0 H ILE A 74 -2.643 -4.034 4.258 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.624 -3.812 6.347 1.00 0.00 H new ATOM 0 HB ILE A 74 0.607 -5.055 4.682 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.244 -2.087 4.544 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.793 -3.206 5.776 1.00 0.00 H new ATOM 0 HG21 ILE A 74 0.841 -4.270 2.362 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.847 -4.669 2.760 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.327 -2.968 2.690 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.561 -2.762 4.144 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.066 -4.471 4.079 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.509 -3.334 2.828 1.00 0.00 H new ATOM 1192 N TYR A 75 -1.262 -1.406 6.216 1.00 0.00 N ATOM 1193 CA TYR A 75 -1.533 0.026 6.159 1.00 0.00 C ATOM 1194 C TYR A 75 -0.281 0.789 5.755 1.00 0.00 C ATOM 1195 O TYR A 75 0.837 0.358 6.034 1.00 0.00 O ATOM 1196 CB TYR A 75 -2.039 0.547 7.508 1.00 0.00 C ATOM 1197 CG TYR A 75 -3.427 0.068 7.887 1.00 0.00 C ATOM 1198 CD1 TYR A 75 -4.081 -0.918 7.157 1.00 0.00 C ATOM 1199 CD2 TYR A 75 -4.084 0.613 8.983 1.00 0.00 C ATOM 1200 CE1 TYR A 75 -5.348 -1.345 7.510 1.00 0.00 C ATOM 1201 CE2 TYR A 75 -5.348 0.192 9.341 1.00 0.00 C ATOM 1202 CZ TYR A 75 -5.976 -0.786 8.601 1.00 0.00 C ATOM 1203 OH TYR A 75 -7.237 -1.208 8.954 1.00 0.00 O ATOM 0 H TYR A 75 -1.154 -1.779 7.159 1.00 0.00 H new ATOM 0 HA TYR A 75 -2.309 0.186 5.411 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.339 0.243 8.286 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -2.038 1.637 7.486 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -3.592 -1.358 6.300 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.596 1.380 9.566 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -5.842 -2.113 6.933 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -5.843 0.627 10.197 1.00 0.00 H new ATOM 0 HH TYR A 75 -7.537 -0.715 9.746 1.00 0.00 H new ATOM 1213 N PHE A 76 -0.471 1.918 5.083 1.00 0.00 N ATOM 1214 CA PHE A 76 0.651 2.719 4.631 1.00 0.00 C ATOM 1215 C PHE A 76 0.256 4.195 4.570 1.00 0.00 C ATOM 1216 O PHE A 76 -0.828 4.531 4.100 1.00 0.00 O ATOM 1217 CB PHE A 76 1.084 2.206 3.261 1.00 0.00 C ATOM 1218 CG PHE A 76 2.506 2.511 2.904 1.00 0.00 C ATOM 1219 CD1 PHE A 76 2.909 3.810 2.662 1.00 0.00 C ATOM 1220 CD2 PHE A 76 3.435 1.489 2.805 1.00 0.00 C ATOM 1221 CE1 PHE A 76 4.216 4.089 2.323 1.00 0.00 C ATOM 1222 CE2 PHE A 76 4.746 1.761 2.468 1.00 0.00 C ATOM 1223 CZ PHE A 76 5.137 3.065 2.226 1.00 0.00 C ATOM 0 H PHE A 76 -1.388 2.295 4.842 1.00 0.00 H new ATOM 0 HA PHE A 76 1.484 2.633 5.329 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.938 1.126 3.229 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.432 2.638 2.502 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.193 4.615 2.739 1.00 0.00 H new ATOM 0 HD2 PHE A 76 3.131 0.470 2.993 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.519 5.108 2.133 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.464 0.958 2.394 1.00 0.00 H new ATOM 0 HZ PHE A 76 6.161 3.282 1.961 1.00 0.00 H new ATOM 1233 N TYR A 77 1.124 5.076 5.067 1.00 0.00 N ATOM 1234 CA TYR A 77 0.830 6.508 5.075 1.00 0.00 C ATOM 1235 C TYR A 77 1.942 7.311 4.400 1.00 0.00 C ATOM 1236 O TYR A 77 3.116 7.170 4.741 1.00 0.00 O ATOM 1237 CB TYR A 77 0.636 6.994 6.514 1.00 0.00 C ATOM 1238 CG TYR A 77 0.250 8.452 6.621 1.00 0.00 C ATOM 1239 CD1 TYR A 77 -0.931 8.922 6.060 1.00 0.00 C ATOM 1240 CD2 TYR A 77 1.066 9.359 7.288 1.00 0.00 C ATOM 1241 CE1 TYR A 77 -1.289 10.252 6.159 1.00 0.00 C ATOM 1242 CE2 TYR A 77 0.714 10.692 7.391 1.00 0.00 C ATOM 1243 CZ TYR A 77 -0.464 11.134 6.826 1.00 0.00 C ATOM 1244 OH TYR A 77 -0.818 12.460 6.927 1.00 0.00 O ATOM 0 H TYR A 77 2.029 4.826 5.466 1.00 0.00 H new ATOM 0 HA TYR A 77 -0.089 6.665 4.510 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -0.135 6.388 6.991 1.00 0.00 H new ATOM 0 HB3 TYR A 77 1.559 6.831 7.070 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.580 8.235 5.537 1.00 0.00 H new ATOM 0 HD2 TYR A 77 1.989 9.017 7.732 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -2.211 10.600 5.716 1.00 0.00 H new ATOM 0 HE2 TYR A 77 1.359 11.384 7.912 1.00 0.00 H new ATOM 0 HH TYR A 77 -0.105 13.018 6.552 1.00 0.00 H new ATOM 1254 N LEU A 78 1.560 8.152 3.442 1.00 0.00 N ATOM 1255 CA LEU A 78 2.519 8.979 2.717 1.00 0.00 C ATOM 1256 C LEU A 78 2.115 10.448 2.769 1.00 0.00 C ATOM 1257 O LEU A 78 1.131 10.851 2.146 1.00 0.00 O ATOM 1258 CB LEU A 78 2.619 8.530 1.259 1.00 0.00 C ATOM 1259 CG LEU A 78 2.708 7.021 1.047 1.00 0.00 C ATOM 1260 CD1 LEU A 78 1.347 6.372 1.248 1.00 0.00 C ATOM 1261 CD2 LEU A 78 3.256 6.707 -0.337 1.00 0.00 C ATOM 0 H LEU A 78 0.591 8.278 3.150 1.00 0.00 H new ATOM 0 HA LEU A 78 3.491 8.862 3.196 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.749 8.906 0.720 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.497 8.996 0.812 1.00 0.00 H new ATOM 0 HG LEU A 78 3.395 6.609 1.787 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.430 5.296 1.093 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.997 6.566 2.262 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.637 6.788 0.533 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.312 5.627 -0.470 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.597 7.132 -1.094 1.00 0.00 H new ATOM 0 HD23 LEU A 78 4.252 7.137 -0.440 1.00 0.00 H new ATOM 1273 N GLY A 79 2.878 11.247 3.508 1.00 0.00 N ATOM 1274 CA GLY A 79 2.582 12.666 3.616 1.00 0.00 C ATOM 1275 C GLY A 79 1.176 12.936 4.119 1.00 0.00 C ATOM 1276 O GLY A 79 0.958 13.083 5.321 1.00 0.00 O ATOM 0 H GLY A 79 3.696 10.939 4.034 1.00 0.00 H new ATOM 0 HA2 GLY A 79 3.300 13.132 4.291 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.710 13.135 2.640 1.00 0.00 H new ATOM 1280 N GLN A 80 0.221 13.004 3.196 1.00 0.00 N ATOM 1281 CA GLN A 80 -1.172 13.260 3.553 1.00 0.00 C ATOM 1282 C GLN A 80 -2.100 12.233 2.909 1.00 0.00 C ATOM 1283 O GLN A 80 -3.296 12.477 2.753 1.00 0.00 O ATOM 1284 CB GLN A 80 -1.587 14.672 3.126 1.00 0.00 C ATOM 1285 CG GLN A 80 -0.710 15.776 3.703 1.00 0.00 C ATOM 1286 CD GLN A 80 0.692 15.835 3.102 1.00 0.00 C ATOM 1287 OE1 GLN A 80 0.907 15.173 1.965 1.00 0.00 O flip ATOM 1288 NE2 GLN A 80 1.573 16.501 3.645 1.00 0.00 N flip ATOM 0 H GLN A 80 0.385 12.886 2.196 1.00 0.00 H new ATOM 0 HA GLN A 80 -1.258 13.176 4.636 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -1.562 14.734 2.038 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -2.619 14.845 3.432 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -1.202 16.736 3.546 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -0.626 15.633 4.780 1.00 0.00 H new ATOM 0 HE21 GLN A 80 1.375 16.996 4.515 1.00 0.00 H new ATOM 0 HE22 GLN A 80 2.501 16.558 3.225 1.00 0.00 H new ATOM 1297 N VAL A 81 -1.544 11.084 2.538 1.00 0.00 N ATOM 1298 CA VAL A 81 -2.323 10.021 1.913 1.00 0.00 C ATOM 1299 C VAL A 81 -2.107 8.696 2.637 1.00 0.00 C ATOM 1300 O VAL A 81 -1.129 8.531 3.362 1.00 0.00 O ATOM 1301 CB VAL A 81 -1.945 9.856 0.426 1.00 0.00 C ATOM 1302 CG1 VAL A 81 -2.798 8.782 -0.232 1.00 0.00 C ATOM 1303 CG2 VAL A 81 -2.081 11.180 -0.309 1.00 0.00 C ATOM 0 H VAL A 81 -0.555 10.865 2.660 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.374 10.303 1.982 1.00 0.00 H new ATOM 0 HB VAL A 81 -0.903 9.540 0.371 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.514 8.683 -1.280 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.643 7.831 0.277 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.850 9.061 -0.166 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.810 11.044 -1.356 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.112 11.529 -0.243 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.419 11.918 0.144 1.00 0.00 H new ATOM 1313 N ALA A 82 -3.025 7.754 2.441 1.00 0.00 N ATOM 1314 CA ALA A 82 -2.920 6.450 3.083 1.00 0.00 C ATOM 1315 C ALA A 82 -3.095 5.320 2.074 1.00 0.00 C ATOM 1316 O ALA A 82 -4.173 5.145 1.504 1.00 0.00 O ATOM 1317 CB ALA A 82 -3.945 6.320 4.200 1.00 0.00 C ATOM 0 H ALA A 82 -3.845 7.869 1.846 1.00 0.00 H new ATOM 0 HA ALA A 82 -1.921 6.371 3.511 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.851 5.340 4.668 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.771 7.096 4.946 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.948 6.431 3.788 1.00 0.00 H new ATOM 1323 N ILE A 83 -2.037 4.544 1.874 1.00 0.00 N ATOM 1324 CA ILE A 83 -2.080 3.417 0.954 1.00 0.00 C ATOM 1325 C ILE A 83 -2.396 2.141 1.720 1.00 0.00 C ATOM 1326 O ILE A 83 -1.722 1.805 2.699 1.00 0.00 O ATOM 1327 CB ILE A 83 -0.750 3.264 0.174 1.00 0.00 C ATOM 1328 CG1 ILE A 83 -0.527 4.488 -0.715 1.00 0.00 C ATOM 1329 CG2 ILE A 83 -0.757 1.995 -0.667 1.00 0.00 C ATOM 1330 CD1 ILE A 83 0.766 4.435 -1.502 1.00 0.00 C ATOM 0 H ILE A 83 -1.138 4.676 2.338 1.00 0.00 H new ATOM 0 HA ILE A 83 -2.866 3.606 0.223 1.00 0.00 H new ATOM 0 HB ILE A 83 0.067 3.189 0.892 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.362 4.580 -1.409 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.529 5.384 -0.094 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.187 1.910 -1.205 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.884 1.129 -0.018 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.579 2.036 -1.381 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.859 5.335 -2.110 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.609 4.374 -0.813 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.762 3.558 -2.149 1.00 0.00 H new ATOM 1342 N LEU A 84 -3.443 1.445 1.290 1.00 0.00 N ATOM 1343 CA LEU A 84 -3.869 0.221 1.955 1.00 0.00 C ATOM 1344 C LEU A 84 -3.823 -0.977 1.014 1.00 0.00 C ATOM 1345 O LEU A 84 -4.669 -1.115 0.132 1.00 0.00 O ATOM 1346 CB LEU A 84 -5.286 0.391 2.508 1.00 0.00 C ATOM 1347 CG LEU A 84 -5.894 -0.862 3.140 1.00 0.00 C ATOM 1348 CD1 LEU A 84 -5.017 -1.365 4.275 1.00 0.00 C ATOM 1349 CD2 LEU A 84 -7.303 -0.579 3.636 1.00 0.00 C ATOM 0 H LEU A 84 -4.011 1.708 0.485 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.176 0.031 2.774 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.275 1.186 3.254 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.937 0.723 1.699 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.949 -1.640 2.379 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.465 -2.257 4.713 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -4.027 -1.608 3.889 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.929 -0.591 5.038 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.720 -1.482 4.083 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -7.273 0.215 4.383 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -7.928 -0.267 2.799 1.00 0.00 H new ATOM 1361 N LEU A 85 -2.848 -1.851 1.224 1.00 0.00 N ATOM 1362 CA LEU A 85 -2.711 -3.049 0.408 1.00 0.00 C ATOM 1363 C LEU A 85 -3.131 -4.275 1.210 1.00 0.00 C ATOM 1364 O LEU A 85 -3.014 -4.294 2.434 1.00 0.00 O ATOM 1365 CB LEU A 85 -1.274 -3.203 -0.093 1.00 0.00 C ATOM 1366 CG LEU A 85 -0.992 -4.489 -0.875 1.00 0.00 C ATOM 1367 CD1 LEU A 85 -1.866 -4.565 -2.118 1.00 0.00 C ATOM 1368 CD2 LEU A 85 0.479 -4.567 -1.251 1.00 0.00 C ATOM 0 H LEU A 85 -2.141 -1.753 1.952 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.363 -2.955 -0.461 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.034 -2.350 -0.728 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.601 -3.162 0.763 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.233 -5.340 -0.237 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.650 -5.486 -2.659 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.916 -4.554 -1.826 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.659 -3.710 -2.761 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.664 -5.486 -1.806 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.742 -3.710 -1.870 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.087 -4.561 -0.346 1.00 0.00 H new ATOM 1380 N PHE A 86 -3.638 -5.288 0.521 1.00 0.00 N ATOM 1381 CA PHE A 86 -4.086 -6.502 1.191 1.00 0.00 C ATOM 1382 C PHE A 86 -4.505 -7.571 0.189 1.00 0.00 C ATOM 1383 O PHE A 86 -4.481 -7.351 -1.022 1.00 0.00 O ATOM 1384 CB PHE A 86 -5.258 -6.189 2.120 1.00 0.00 C ATOM 1385 CG PHE A 86 -6.341 -5.385 1.463 1.00 0.00 C ATOM 1386 CD1 PHE A 86 -6.234 -4.007 1.363 1.00 0.00 C ATOM 1387 CD2 PHE A 86 -7.457 -6.007 0.930 1.00 0.00 C ATOM 1388 CE1 PHE A 86 -7.222 -3.263 0.749 1.00 0.00 C ATOM 1389 CE2 PHE A 86 -8.449 -5.269 0.314 1.00 0.00 C ATOM 1390 CZ PHE A 86 -8.332 -3.896 0.224 1.00 0.00 C ATOM 0 H PHE A 86 -3.749 -5.295 -0.493 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.248 -6.886 1.772 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.681 -7.124 2.486 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -4.888 -5.645 2.989 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -5.367 -3.509 1.770 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.553 -7.081 0.996 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -7.127 -2.189 0.679 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -9.316 -5.766 -0.097 1.00 0.00 H new ATOM 0 HZ PHE A 86 -9.107 -3.318 -0.256 1.00 0.00 H new ATOM 1400 N LYS A 87 -4.895 -8.728 0.712 1.00 0.00 N ATOM 1401 CA LYS A 87 -5.329 -9.842 -0.121 1.00 0.00 C ATOM 1402 C LYS A 87 -6.631 -10.429 0.415 1.00 0.00 C ATOM 1403 O LYS A 87 -6.617 -11.355 1.226 1.00 0.00 O ATOM 1404 CB LYS A 87 -4.240 -10.920 -0.170 1.00 0.00 C ATOM 1405 CG LYS A 87 -4.491 -12.028 -1.188 1.00 0.00 C ATOM 1406 CD LYS A 87 -5.654 -12.928 -0.791 1.00 0.00 C ATOM 1407 CE LYS A 87 -5.761 -14.132 -1.710 1.00 0.00 C ATOM 1408 NZ LYS A 87 -5.995 -13.731 -3.124 1.00 0.00 N ATOM 0 H LYS A 87 -4.919 -8.919 1.714 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.505 -9.475 -1.132 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -3.286 -10.444 -0.398 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -4.145 -11.368 0.819 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.695 -11.583 -2.162 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.589 -12.630 -1.295 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -5.522 -13.264 0.237 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -6.584 -12.360 -0.824 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -4.846 -14.720 -1.646 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -6.576 -14.773 -1.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.894 -14.562 -3.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -6.955 -13.343 -3.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -5.300 -13.008 -3.399 1.00 0.00 H new ATOM 1422 N SER A 88 -7.753 -9.886 -0.045 1.00 0.00 N ATOM 1423 CA SER A 88 -9.064 -10.360 0.385 1.00 0.00 C ATOM 1424 C SER A 88 -9.377 -11.714 -0.243 1.00 0.00 C ATOM 1425 O SER A 88 -10.255 -11.825 -1.099 1.00 0.00 O ATOM 1426 CB SER A 88 -10.144 -9.345 0.008 1.00 0.00 C ATOM 1427 OG SER A 88 -11.423 -9.778 0.438 1.00 0.00 O ATOM 0 H SER A 88 -7.781 -9.118 -0.715 1.00 0.00 H new ATOM 0 HA SER A 88 -9.049 -10.475 1.469 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.913 -8.380 0.458 1.00 0.00 H new ATOM 0 HB3 SER A 88 -10.150 -9.200 -1.072 1.00 0.00 H new ATOM 0 HG SER A 88 -11.593 -9.447 1.344 1.00 0.00 H new ATOM 1433 N GLY A 89 -8.653 -12.742 0.188 1.00 0.00 N ATOM 1434 CA GLY A 89 -8.868 -14.076 -0.341 1.00 0.00 C ATOM 1435 C GLY A 89 -8.193 -15.148 0.491 1.00 0.00 C ATOM 1436 O GLY A 89 -7.453 -14.792 1.431 1.00 0.00 O ATOM 1437 OXT GLY A 89 -8.407 -16.345 0.203 1.00 0.00 O ATOM 0 H GLY A 89 -7.921 -12.675 0.895 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -9.938 -14.277 -0.387 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -8.491 -14.123 -1.363 1.00 0.00 H new TER 1441 GLY A 89