USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 849 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 79 MET CE :methyl 158:sc= -3.74 (180deg=-4.31!) USER MOD Set 1.2: A 83 ASN : amide:sc= -7.43! C(o=-11!,f=-13!) USER MOD Set 2.1: A 51 MET CE :methyl -138:sc= -7.93! (180deg=-8.28!) USER MOD Set 2.2: A 67 SER OG : rot -170:sc= -0.0772 USER MOD Set 3.1: A 39 MET CE :methyl 144:sc= -0.397 (180deg=-1.55!) USER MOD Set 3.2: A 44 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 1 GLN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: B 129 ASN : amide:sc= 0.0058 X(o=0.0058,f=0) USER MOD Set 5.1: A 1 GLN : amide:sc= 0 K(o=-1.9,f=1.2) USER MOD Set 5.2: A 3 ASN : amide:sc= -1.92! K(o=-1.9!,f=1.2) USER MOD Single : A 4 GLN : amide:sc= -1.09 X(o=-1.1,f=-0.62) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HE2:sc= -4.9! C(o=-4.9!,f=-10!) USER MOD Single : A 21 GLN : amide:sc= -1.61! K(o=-1.6!,f=-0.94) USER MOD Single : A 24 MET CE :methyl -120:sc= -0.0196 (180deg=-1.9) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0301 USER MOD Single : A 28 LYS NZ :NH3+ -154:sc= -1.8 (180deg=-2) USER MOD Single : A 31 MET CE :methyl -117:sc= -6.5! (180deg=-11.9!) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.0041) USER MOD Single : A 33 TYR OH : rot 171:sc= 0.0705 USER MOD Single : A 36 GLN : amide:sc= -0.075 X(o=-0.075,f=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.4 X(o=-0.4,f=0) USER MOD Single : A 46 GLN : amide:sc= -2.53! C(o=-2.5!,f=-1.4!) USER MOD Single : A 47 GLN : amide:sc= -3.78! C(o=-3.8!,f=-2.9!) USER MOD Single : A 49 GLN : amide:sc= -4.49! C(o=-4.5!,f=-7.7!) USER MOD Single : A 50 HIS : no HE2:sc= -7.84! C(o=-7.8!,f=-8.4!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 CYS SG : rot -44:sc= -5.7 USER MOD Single : A 66 GLN : amide:sc= -1.39 K(o=-1.4,f=-4!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -123:sc= 0.00394 (180deg=-1.27) USER MOD Single : A 74 SER OG : rot 94:sc= 0.188 USER MOD Single : A 77 TYR OH : rot 52:sc= -0.246 USER MOD Single : A 82 LYS NZ :NH3+ -127:sc= -0.405 (180deg=-5.27!) USER MOD Single : A 86 THR OG1 : rot 41:sc= 0.109 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : B 115 SER OG : rot 180:sc= 0 USER MOD Single : B 116 GLN : amide:sc= -0.75! X(o=-0.75!,f=-1) USER MOD Single : B 118 THR OG1 : rot 180:sc= 0 USER MOD Single : B 120 SER OG : rot 180:sc= 0 USER MOD Single : B 124 LYS NZ :NH3+ -148:sc= -0.216 (180deg=-1.25!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 2.362 1.387 1.160 1.00 0.00 N ATOM 2 CA GLN A 1 2.879 0.389 0.231 1.00 0.00 C ATOM 3 C GLN A 1 3.950 -0.470 0.895 1.00 0.00 C ATOM 4 O GLN A 1 3.856 -1.698 0.906 1.00 0.00 O ATOM 5 CB GLN A 1 3.453 1.069 -1.014 1.00 0.00 C ATOM 6 CG GLN A 1 2.546 0.976 -2.230 1.00 0.00 C ATOM 7 CD GLN A 1 3.263 0.436 -3.452 1.00 0.00 C ATOM 8 OE1 GLN A 1 3.605 1.186 -4.367 1.00 0.00 O ATOM 9 NE2 GLN A 1 3.495 -0.871 -3.474 1.00 0.00 N ATOM 0 H1 GLN A 1 1.635 1.959 0.685 1.00 0.00 H new ATOM 0 H2 GLN A 1 1.944 0.910 1.984 1.00 0.00 H new ATOM 0 H3 GLN A 1 3.138 2.004 1.474 1.00 0.00 H new ATOM 0 HA GLN A 1 2.053 -0.257 -0.065 1.00 0.00 H new ATOM 0 HB2 GLN A 1 3.641 2.119 -0.790 1.00 0.00 H new ATOM 0 HB3 GLN A 1 4.416 0.617 -1.254 1.00 0.00 H new ATOM 0 HG2 GLN A 1 1.697 0.333 -1.997 1.00 0.00 H new ATOM 0 HG3 GLN A 1 2.145 1.964 -2.456 1.00 0.00 H new ATOM 0 HE21 GLN A 1 3.194 -1.456 -2.694 1.00 0.00 H new ATOM 0 HE22 GLN A 1 3.974 -1.291 -4.271 1.00 0.00 H new ATOM 18 N ILE A 2 4.967 0.183 1.447 1.00 0.00 N ATOM 19 CA ILE A 2 6.055 -0.522 2.113 1.00 0.00 C ATOM 20 C ILE A 2 6.849 -1.368 1.124 1.00 0.00 C ATOM 21 O ILE A 2 7.191 -2.515 1.408 1.00 0.00 O ATOM 22 CB ILE A 2 5.531 -1.428 3.242 1.00 0.00 C ATOM 23 CG1 ILE A 2 4.581 -0.648 4.153 1.00 0.00 C ATOM 24 CG2 ILE A 2 6.690 -2.001 4.044 1.00 0.00 C ATOM 25 CD1 ILE A 2 4.903 0.827 4.241 1.00 0.00 C ATOM 0 H ILE A 2 5.060 1.199 1.446 1.00 0.00 H new ATOM 0 HA ILE A 2 6.707 0.238 2.542 1.00 0.00 H new ATOM 0 HB ILE A 2 4.979 -2.255 2.796 1.00 0.00 H new ATOM 0 HG12 ILE A 2 3.561 -0.768 3.788 1.00 0.00 H new ATOM 0 HG13 ILE A 2 4.614 -1.079 5.154 1.00 0.00 H new ATOM 0 HG21 ILE A 2 6.303 -2.639 4.838 1.00 0.00 H new ATOM 0 HG22 ILE A 2 7.332 -2.588 3.387 1.00 0.00 H new ATOM 0 HG23 ILE A 2 7.267 -1.187 4.482 1.00 0.00 H new ATOM 0 HD11 ILE A 2 4.189 1.316 4.904 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.911 0.956 4.635 1.00 0.00 H new ATOM 0 HD13 ILE A 2 4.841 1.273 3.248 1.00 0.00 H new ATOM 37 N ASN A 3 7.141 -0.793 -0.038 1.00 0.00 N ATOM 38 CA ASN A 3 7.897 -1.494 -1.070 1.00 0.00 C ATOM 39 C ASN A 3 9.397 -1.310 -0.865 1.00 0.00 C ATOM 40 O ASN A 3 9.871 -0.195 -0.648 1.00 0.00 O ATOM 41 CB ASN A 3 7.494 -0.990 -2.457 1.00 0.00 C ATOM 42 CG ASN A 3 7.619 -2.064 -3.521 1.00 0.00 C ATOM 43 OD1 ASN A 3 6.713 -2.259 -4.331 1.00 0.00 O ATOM 44 ND2 ASN A 3 8.746 -2.767 -3.522 1.00 0.00 N ATOM 0 H ASN A 3 6.866 0.157 -0.289 1.00 0.00 H new ATOM 0 HA ASN A 3 7.666 -2.557 -0.996 1.00 0.00 H new ATOM 0 HB2 ASN A 3 6.465 -0.631 -2.426 1.00 0.00 H new ATOM 0 HB3 ASN A 3 8.120 -0.140 -2.728 1.00 0.00 H new ATOM 0 HD21 ASN A 3 8.887 -3.503 -4.214 1.00 0.00 H new ATOM 0 HD22 ASN A 3 9.470 -2.570 -2.831 1.00 0.00 H new ATOM 51 N GLN A 4 10.138 -2.411 -0.936 1.00 0.00 N ATOM 52 CA GLN A 4 11.585 -2.371 -0.758 1.00 0.00 C ATOM 53 C GLN A 4 12.256 -1.643 -1.918 1.00 0.00 C ATOM 54 O GLN A 4 11.735 -1.618 -3.034 1.00 0.00 O ATOM 55 CB GLN A 4 12.145 -3.789 -0.638 1.00 0.00 C ATOM 56 CG GLN A 4 11.314 -4.698 0.252 1.00 0.00 C ATOM 57 CD GLN A 4 10.377 -5.592 -0.537 1.00 0.00 C ATOM 58 OE1 GLN A 4 10.817 -6.482 -1.265 1.00 0.00 O ATOM 59 NE2 GLN A 4 9.078 -5.359 -0.396 1.00 0.00 N ATOM 0 H GLN A 4 9.761 -3.341 -1.115 1.00 0.00 H new ATOM 0 HA GLN A 4 11.798 -1.825 0.161 1.00 0.00 H new ATOM 0 HB2 GLN A 4 12.211 -4.230 -1.633 1.00 0.00 H new ATOM 0 HB3 GLN A 4 13.160 -3.738 -0.244 1.00 0.00 H new ATOM 0 HG2 GLN A 4 11.979 -5.317 0.854 1.00 0.00 H new ATOM 0 HG3 GLN A 4 10.732 -4.089 0.944 1.00 0.00 H new ATOM 0 HE21 GLN A 4 8.758 -4.610 0.218 1.00 0.00 H new ATOM 0 HE22 GLN A 4 8.400 -5.929 -0.902 1.00 0.00 H new ATOM 68 N VAL A 5 13.414 -1.050 -1.648 1.00 0.00 N ATOM 69 CA VAL A 5 14.157 -0.321 -2.669 1.00 0.00 C ATOM 70 C VAL A 5 15.653 -0.594 -2.561 1.00 0.00 C ATOM 71 O VAL A 5 16.111 -1.227 -1.609 1.00 0.00 O ATOM 72 CB VAL A 5 13.914 1.196 -2.564 1.00 0.00 C ATOM 73 CG1 VAL A 5 12.434 1.512 -2.715 1.00 0.00 C ATOM 74 CG2 VAL A 5 14.451 1.731 -1.245 1.00 0.00 C ATOM 0 H VAL A 5 13.858 -1.060 -0.730 1.00 0.00 H new ATOM 0 HA VAL A 5 13.796 -0.673 -3.635 1.00 0.00 H new ATOM 0 HB VAL A 5 14.450 1.689 -3.375 1.00 0.00 H new ATOM 0 HG11 VAL A 5 12.282 2.589 -2.638 1.00 0.00 H new ATOM 0 HG12 VAL A 5 12.085 1.165 -3.688 1.00 0.00 H new ATOM 0 HG13 VAL A 5 11.872 1.009 -1.928 1.00 0.00 H new ATOM 0 HG21 VAL A 5 14.271 2.804 -1.187 1.00 0.00 H new ATOM 0 HG22 VAL A 5 13.945 1.233 -0.418 1.00 0.00 H new ATOM 0 HG23 VAL A 5 15.522 1.539 -1.184 1.00 0.00 H new ATOM 84 N ARG A 6 16.409 -0.114 -3.542 1.00 0.00 N ATOM 85 CA ARG A 6 17.854 -0.307 -3.557 1.00 0.00 C ATOM 86 C ARG A 6 18.573 0.995 -3.901 1.00 0.00 C ATOM 87 O ARG A 6 18.547 1.466 -5.038 1.00 0.00 O ATOM 88 CB ARG A 6 18.235 -1.393 -4.565 1.00 0.00 C ATOM 89 CG ARG A 6 19.375 -2.283 -4.100 1.00 0.00 C ATOM 90 CD ARG A 6 19.469 -3.551 -4.934 1.00 0.00 C ATOM 91 NE ARG A 6 19.997 -4.675 -4.166 1.00 0.00 N ATOM 92 CZ ARG A 6 19.915 -5.940 -4.563 1.00 0.00 C ATOM 93 NH1 ARG A 6 19.330 -6.240 -5.714 1.00 0.00 N ATOM 94 NH2 ARG A 6 20.419 -6.907 -3.808 1.00 0.00 N ATOM 0 H ARG A 6 16.045 0.411 -4.337 1.00 0.00 H new ATOM 0 HA ARG A 6 18.163 -0.621 -2.560 1.00 0.00 H new ATOM 0 HB2 ARG A 6 17.361 -2.012 -4.767 1.00 0.00 H new ATOM 0 HB3 ARG A 6 18.515 -0.921 -5.507 1.00 0.00 H new ATOM 0 HG2 ARG A 6 20.315 -1.735 -4.163 1.00 0.00 H new ATOM 0 HG3 ARG A 6 19.229 -2.546 -3.052 1.00 0.00 H new ATOM 0 HD2 ARG A 6 18.481 -3.806 -5.317 1.00 0.00 H new ATOM 0 HD3 ARG A 6 20.109 -3.370 -5.798 1.00 0.00 H new ATOM 0 HE ARG A 6 20.454 -4.478 -3.276 1.00 0.00 H new ATOM 0 HH11 ARG A 6 18.942 -5.499 -6.297 1.00 0.00 H new ATOM 0 HH12 ARG A 6 19.268 -7.212 -6.017 1.00 0.00 H new ATOM 0 HH21 ARG A 6 20.870 -6.680 -2.922 1.00 0.00 H new ATOM 0 HH22 ARG A 6 20.356 -7.878 -4.114 1.00 0.00 H new ATOM 108 N PRO A 7 19.230 1.592 -2.895 1.00 0.00 N ATOM 109 CA PRO A 7 19.968 2.847 -3.066 1.00 0.00 C ATOM 110 C PRO A 7 21.224 2.670 -3.911 1.00 0.00 C ATOM 111 O PRO A 7 22.216 2.098 -3.457 1.00 0.00 O ATOM 112 CB PRO A 7 20.338 3.238 -1.633 1.00 0.00 C ATOM 113 CG PRO A 7 20.359 1.952 -0.882 1.00 0.00 C ATOM 114 CD PRO A 7 19.303 1.087 -1.513 1.00 0.00 C ATOM 0 HA PRO A 7 19.378 3.599 -3.589 1.00 0.00 H new ATOM 0 HB2 PRO A 7 21.308 3.734 -1.596 1.00 0.00 H new ATOM 0 HB3 PRO A 7 19.610 3.931 -1.211 1.00 0.00 H new ATOM 0 HG2 PRO A 7 21.339 1.479 -0.945 1.00 0.00 H new ATOM 0 HG3 PRO A 7 20.150 2.114 0.175 1.00 0.00 H new ATOM 0 HD2 PRO A 7 19.577 0.032 -1.484 1.00 0.00 H new ATOM 0 HD3 PRO A 7 18.346 1.182 -0.999 1.00 0.00 H new ATOM 122 N LYS A 8 21.177 3.164 -5.144 1.00 0.00 N ATOM 123 CA LYS A 8 22.312 3.063 -6.054 1.00 0.00 C ATOM 124 C LYS A 8 23.550 3.721 -5.454 1.00 0.00 C ATOM 125 O LYS A 8 23.673 3.842 -4.235 1.00 0.00 O ATOM 126 CB LYS A 8 21.975 3.714 -7.397 1.00 0.00 C ATOM 127 CG LYS A 8 20.554 3.446 -7.863 1.00 0.00 C ATOM 128 CD LYS A 8 20.400 3.693 -9.354 1.00 0.00 C ATOM 129 CE LYS A 8 20.208 5.171 -9.658 1.00 0.00 C ATOM 130 NZ LYS A 8 18.906 5.435 -10.329 1.00 0.00 N ATOM 0 H LYS A 8 20.364 3.639 -5.536 1.00 0.00 H new ATOM 0 HA LYS A 8 22.525 2.006 -6.213 1.00 0.00 H new ATOM 0 HB2 LYS A 8 22.125 4.791 -7.317 1.00 0.00 H new ATOM 0 HB3 LYS A 8 22.671 3.350 -8.153 1.00 0.00 H new ATOM 0 HG2 LYS A 8 20.284 2.415 -7.634 1.00 0.00 H new ATOM 0 HG3 LYS A 8 19.863 4.086 -7.314 1.00 0.00 H new ATOM 0 HD2 LYS A 8 21.282 3.324 -9.878 1.00 0.00 H new ATOM 0 HD3 LYS A 8 19.547 3.129 -9.731 1.00 0.00 H new ATOM 0 HE2 LYS A 8 20.261 5.742 -8.731 1.00 0.00 H new ATOM 0 HE3 LYS A 8 21.022 5.519 -10.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 18.814 6.453 -10.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 18.865 4.910 -11.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 18.128 5.126 -9.711 1.00 0.00 H new ATOM 144 N LEU A 9 24.465 4.147 -6.318 1.00 0.00 N ATOM 145 CA LEU A 9 25.694 4.795 -5.874 1.00 0.00 C ATOM 146 C LEU A 9 25.412 6.204 -5.364 1.00 0.00 C ATOM 147 O LEU A 9 25.655 6.531 -4.202 1.00 0.00 O ATOM 148 CB LEU A 9 26.708 4.848 -7.018 1.00 0.00 C ATOM 149 CG LEU A 9 26.253 4.245 -8.347 1.00 0.00 C ATOM 150 CD1 LEU A 9 27.282 4.513 -9.435 1.00 0.00 C ATOM 151 CD2 LEU A 9 26.006 2.751 -8.200 1.00 0.00 C ATOM 0 H LEU A 9 24.379 4.055 -7.330 1.00 0.00 H new ATOM 0 HA LEU A 9 26.110 4.208 -5.055 1.00 0.00 H new ATOM 0 HB2 LEU A 9 26.979 5.890 -7.189 1.00 0.00 H new ATOM 0 HB3 LEU A 9 27.613 4.331 -6.699 1.00 0.00 H new ATOM 0 HG LEU A 9 25.316 4.720 -8.637 1.00 0.00 H new ATOM 0 HD11 LEU A 9 26.941 4.076 -10.374 1.00 0.00 H new ATOM 0 HD12 LEU A 9 27.408 5.588 -9.560 1.00 0.00 H new ATOM 0 HD13 LEU A 9 28.235 4.066 -9.152 1.00 0.00 H new ATOM 0 HD21 LEU A 9 25.683 2.340 -9.156 1.00 0.00 H new ATOM 0 HD22 LEU A 9 26.927 2.259 -7.886 1.00 0.00 H new ATOM 0 HD23 LEU A 9 25.231 2.582 -7.452 1.00 0.00 H new ATOM 163 N PRO A 10 24.886 7.061 -6.251 1.00 0.00 N ATOM 164 CA PRO A 10 24.557 8.449 -5.913 1.00 0.00 C ATOM 165 C PRO A 10 23.367 8.548 -4.964 1.00 0.00 C ATOM 166 O PRO A 10 23.071 9.619 -4.433 1.00 0.00 O ATOM 167 CB PRO A 10 24.213 9.073 -7.268 1.00 0.00 C ATOM 168 CG PRO A 10 23.768 7.928 -8.110 1.00 0.00 C ATOM 169 CD PRO A 10 24.571 6.741 -7.654 1.00 0.00 C ATOM 0 HA PRO A 10 25.376 8.947 -5.395 1.00 0.00 H new ATOM 0 HB2 PRO A 10 23.427 9.822 -7.171 1.00 0.00 H new ATOM 0 HB3 PRO A 10 25.078 9.573 -7.705 1.00 0.00 H new ATOM 0 HG2 PRO A 10 22.700 7.746 -7.989 1.00 0.00 H new ATOM 0 HG3 PRO A 10 23.939 8.132 -9.167 1.00 0.00 H new ATOM 0 HD2 PRO A 10 24.002 5.815 -7.737 1.00 0.00 H new ATOM 0 HD3 PRO A 10 25.475 6.614 -8.250 1.00 0.00 H new ATOM 177 N LEU A 11 22.688 7.425 -4.756 1.00 0.00 N ATOM 178 CA LEU A 11 21.530 7.385 -3.870 1.00 0.00 C ATOM 179 C LEU A 11 21.930 6.928 -2.471 1.00 0.00 C ATOM 180 O LEU A 11 21.433 7.448 -1.470 1.00 0.00 O ATOM 181 CB LEU A 11 20.460 6.450 -4.438 1.00 0.00 C ATOM 182 CG LEU A 11 19.687 6.973 -5.649 1.00 0.00 C ATOM 183 CD1 LEU A 11 18.371 6.227 -5.805 1.00 0.00 C ATOM 184 CD2 LEU A 11 19.442 8.469 -5.521 1.00 0.00 C ATOM 0 H LEU A 11 22.919 6.531 -5.189 1.00 0.00 H new ATOM 0 HA LEU A 11 21.122 8.394 -3.800 1.00 0.00 H new ATOM 0 HB2 LEU A 11 20.937 5.510 -4.715 1.00 0.00 H new ATOM 0 HB3 LEU A 11 19.746 6.224 -3.646 1.00 0.00 H new ATOM 0 HG LEU A 11 20.288 6.799 -6.542 1.00 0.00 H new ATOM 0 HD11 LEU A 11 17.835 6.613 -6.672 1.00 0.00 H new ATOM 0 HD12 LEU A 11 18.569 5.164 -5.944 1.00 0.00 H new ATOM 0 HD13 LEU A 11 17.764 6.368 -4.911 1.00 0.00 H new ATOM 0 HD21 LEU A 11 18.891 8.823 -6.392 1.00 0.00 H new ATOM 0 HD22 LEU A 11 18.862 8.667 -4.619 1.00 0.00 H new ATOM 0 HD23 LEU A 11 20.397 8.990 -5.460 1.00 0.00 H new ATOM 196 N LEU A 12 22.831 5.954 -2.407 1.00 0.00 N ATOM 197 CA LEU A 12 23.301 5.428 -1.130 1.00 0.00 C ATOM 198 C LEU A 12 23.927 6.531 -0.284 1.00 0.00 C ATOM 199 O LEU A 12 23.700 6.607 0.924 1.00 0.00 O ATOM 200 CB LEU A 12 24.316 4.307 -1.361 1.00 0.00 C ATOM 201 CG LEU A 12 24.729 3.511 -0.122 1.00 0.00 C ATOM 202 CD1 LEU A 12 23.548 3.339 0.820 1.00 0.00 C ATOM 203 CD2 LEU A 12 25.294 2.156 -0.523 1.00 0.00 C ATOM 0 H LEU A 12 23.251 5.512 -3.225 1.00 0.00 H new ATOM 0 HA LEU A 12 22.442 5.027 -0.592 1.00 0.00 H new ATOM 0 HB2 LEU A 12 23.901 3.613 -2.093 1.00 0.00 H new ATOM 0 HB3 LEU A 12 25.212 4.741 -1.805 1.00 0.00 H new ATOM 0 HG LEU A 12 25.507 4.067 0.401 1.00 0.00 H new ATOM 0 HD11 LEU A 12 23.861 2.770 1.696 1.00 0.00 H new ATOM 0 HD12 LEU A 12 23.187 4.319 1.133 1.00 0.00 H new ATOM 0 HD13 LEU A 12 22.748 2.805 0.307 1.00 0.00 H new ATOM 0 HD21 LEU A 12 25.583 1.603 0.371 1.00 0.00 H new ATOM 0 HD22 LEU A 12 24.537 1.593 -1.069 1.00 0.00 H new ATOM 0 HD23 LEU A 12 26.168 2.300 -1.159 1.00 0.00 H new ATOM 215 N LYS A 13 24.715 7.387 -0.926 1.00 0.00 N ATOM 216 CA LYS A 13 25.372 8.490 -0.234 1.00 0.00 C ATOM 217 C LYS A 13 24.346 9.448 0.360 1.00 0.00 C ATOM 218 O LYS A 13 24.596 10.083 1.386 1.00 0.00 O ATOM 219 CB LYS A 13 26.294 9.244 -1.194 1.00 0.00 C ATOM 220 CG LYS A 13 27.772 9.034 -0.911 1.00 0.00 C ATOM 221 CD LYS A 13 28.588 10.266 -1.264 1.00 0.00 C ATOM 222 CE LYS A 13 28.966 10.280 -2.738 1.00 0.00 C ATOM 223 NZ LYS A 13 30.442 10.312 -2.931 1.00 0.00 N ATOM 0 H LYS A 13 24.914 7.338 -1.925 1.00 0.00 H new ATOM 0 HA LYS A 13 25.967 8.073 0.579 1.00 0.00 H new ATOM 0 HB2 LYS A 13 26.080 8.927 -2.214 1.00 0.00 H new ATOM 0 HB3 LYS A 13 26.070 10.309 -1.138 1.00 0.00 H new ATOM 0 HG2 LYS A 13 27.911 8.794 0.143 1.00 0.00 H new ATOM 0 HG3 LYS A 13 28.135 8.180 -1.483 1.00 0.00 H new ATOM 0 HD2 LYS A 13 28.017 11.163 -1.025 1.00 0.00 H new ATOM 0 HD3 LYS A 13 29.492 10.292 -0.655 1.00 0.00 H new ATOM 0 HE2 LYS A 13 28.555 9.397 -3.227 1.00 0.00 H new ATOM 0 HE3 LYS A 13 28.518 11.149 -3.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 30.659 10.321 -3.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 30.832 11.168 -2.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 30.868 9.470 -2.493 1.00 0.00 H new ATOM 237 N ILE A 14 23.190 9.547 -0.288 1.00 0.00 N ATOM 238 CA ILE A 14 22.126 10.426 0.179 1.00 0.00 C ATOM 239 C ILE A 14 21.674 10.044 1.584 1.00 0.00 C ATOM 240 O ILE A 14 21.682 10.870 2.497 1.00 0.00 O ATOM 241 CB ILE A 14 20.911 10.390 -0.767 1.00 0.00 C ATOM 242 CG1 ILE A 14 21.353 10.637 -2.211 1.00 0.00 C ATOM 243 CG2 ILE A 14 19.877 11.422 -0.340 1.00 0.00 C ATOM 244 CD1 ILE A 14 21.929 12.017 -2.439 1.00 0.00 C ATOM 0 H ILE A 14 22.967 9.029 -1.138 1.00 0.00 H new ATOM 0 HA ILE A 14 22.535 11.436 0.194 1.00 0.00 H new ATOM 0 HB ILE A 14 20.455 9.402 -0.711 1.00 0.00 H new ATOM 0 HG12 ILE A 14 22.098 9.891 -2.487 1.00 0.00 H new ATOM 0 HG13 ILE A 14 20.499 10.495 -2.873 1.00 0.00 H new ATOM 0 HG21 ILE A 14 19.024 11.385 -1.018 1.00 0.00 H new ATOM 0 HG22 ILE A 14 19.544 11.205 0.675 1.00 0.00 H new ATOM 0 HG23 ILE A 14 20.322 12.417 -0.371 1.00 0.00 H new ATOM 0 HD11 ILE A 14 22.221 12.121 -3.484 1.00 0.00 H new ATOM 0 HD12 ILE A 14 21.179 12.769 -2.195 1.00 0.00 H new ATOM 0 HD13 ILE A 14 22.803 12.156 -1.803 1.00 0.00 H new ATOM 256 N LEU A 15 21.280 8.786 1.751 1.00 0.00 N ATOM 257 CA LEU A 15 20.826 8.292 3.046 1.00 0.00 C ATOM 258 C LEU A 15 21.988 8.193 4.029 1.00 0.00 C ATOM 259 O LEU A 15 21.846 8.517 5.209 1.00 0.00 O ATOM 260 CB LEU A 15 20.159 6.925 2.887 1.00 0.00 C ATOM 261 CG LEU A 15 19.112 6.813 1.779 1.00 0.00 C ATOM 262 CD1 LEU A 15 18.552 8.184 1.433 1.00 0.00 C ATOM 263 CD2 LEU A 15 19.711 6.153 0.545 1.00 0.00 C ATOM 0 H LEU A 15 21.266 8.090 1.006 1.00 0.00 H new ATOM 0 HA LEU A 15 20.099 9.000 3.443 1.00 0.00 H new ATOM 0 HB2 LEU A 15 20.936 6.184 2.701 1.00 0.00 H new ATOM 0 HB3 LEU A 15 19.687 6.661 3.833 1.00 0.00 H new ATOM 0 HG LEU A 15 18.294 6.190 2.140 1.00 0.00 H new ATOM 0 HD11 LEU A 15 17.808 8.084 0.642 1.00 0.00 H new ATOM 0 HD12 LEU A 15 18.086 8.620 2.317 1.00 0.00 H new ATOM 0 HD13 LEU A 15 19.360 8.831 1.092 1.00 0.00 H new ATOM 0 HD21 LEU A 15 18.952 6.081 -0.234 1.00 0.00 H new ATOM 0 HD22 LEU A 15 20.547 6.751 0.183 1.00 0.00 H new ATOM 0 HD23 LEU A 15 20.063 5.154 0.802 1.00 0.00 H new ATOM 275 N HIS A 16 23.138 7.745 3.535 1.00 0.00 N ATOM 276 CA HIS A 16 24.326 7.606 4.370 1.00 0.00 C ATOM 277 C HIS A 16 24.642 8.915 5.088 1.00 0.00 C ATOM 278 O HIS A 16 24.903 8.926 6.290 1.00 0.00 O ATOM 279 CB HIS A 16 25.523 7.175 3.522 1.00 0.00 C ATOM 280 CG HIS A 16 25.647 5.690 3.372 1.00 0.00 C ATOM 281 ND1 HIS A 16 26.856 5.050 3.194 1.00 0.00 N ATOM 282 CD2 HIS A 16 24.705 4.718 3.377 1.00 0.00 C ATOM 283 CE1 HIS A 16 26.652 3.749 3.094 1.00 0.00 C ATOM 284 NE2 HIS A 16 25.355 3.521 3.202 1.00 0.00 N ATOM 0 H HIS A 16 23.272 7.472 2.561 1.00 0.00 H new ATOM 0 HA HIS A 16 24.126 6.840 5.119 1.00 0.00 H new ATOM 0 HB2 HIS A 16 25.439 7.626 2.533 1.00 0.00 H new ATOM 0 HB3 HIS A 16 26.436 7.564 3.973 1.00 0.00 H new ATOM 0 HD1 HIS A 16 27.765 5.510 3.147 1.00 0.00 H new ATOM 0 HD2 HIS A 16 23.641 4.858 3.496 1.00 0.00 H new ATOM 0 HE1 HIS A 16 27.415 2.999 2.949 1.00 0.00 H new ATOM 292 N ALA A 17 24.615 10.015 4.343 1.00 0.00 N ATOM 293 CA ALA A 17 24.897 11.328 4.909 1.00 0.00 C ATOM 294 C ALA A 17 23.979 11.625 6.090 1.00 0.00 C ATOM 295 O ALA A 17 24.422 12.136 7.118 1.00 0.00 O ATOM 296 CB ALA A 17 24.754 12.404 3.843 1.00 0.00 C ATOM 0 H ALA A 17 24.401 10.023 3.346 1.00 0.00 H new ATOM 0 HA ALA A 17 25.925 11.327 5.273 1.00 0.00 H new ATOM 0 HB1 ALA A 17 24.967 13.380 4.280 1.00 0.00 H new ATOM 0 HB2 ALA A 17 25.455 12.208 3.032 1.00 0.00 H new ATOM 0 HB3 ALA A 17 23.736 12.396 3.452 1.00 0.00 H new ATOM 302 N ALA A 18 22.700 11.302 5.935 1.00 0.00 N ATOM 303 CA ALA A 18 21.720 11.533 6.989 1.00 0.00 C ATOM 304 C ALA A 18 21.967 10.613 8.180 1.00 0.00 C ATOM 305 O ALA A 18 21.465 10.853 9.277 1.00 0.00 O ATOM 306 CB ALA A 18 20.310 11.337 6.452 1.00 0.00 C ATOM 0 H ALA A 18 22.318 10.879 5.089 1.00 0.00 H new ATOM 0 HA ALA A 18 21.827 12.563 7.330 1.00 0.00 H new ATOM 0 HB1 ALA A 18 19.589 11.513 7.250 1.00 0.00 H new ATOM 0 HB2 ALA A 18 20.129 12.040 5.639 1.00 0.00 H new ATOM 0 HB3 ALA A 18 20.200 10.318 6.082 1.00 0.00 H new ATOM 312 N GLY A 19 22.745 9.558 7.955 1.00 0.00 N ATOM 313 CA GLY A 19 23.044 8.617 9.018 1.00 0.00 C ATOM 314 C GLY A 19 22.799 7.179 8.606 1.00 0.00 C ATOM 315 O GLY A 19 23.181 6.249 9.316 1.00 0.00 O ATOM 0 H GLY A 19 23.173 9.339 7.056 1.00 0.00 H new ATOM 0 HA2 GLY A 19 24.085 8.733 9.319 1.00 0.00 H new ATOM 0 HA3 GLY A 19 22.432 8.851 9.889 1.00 0.00 H new ATOM 319 N ALA A 20 22.159 6.995 7.456 1.00 0.00 N ATOM 320 CA ALA A 20 21.865 5.660 6.950 1.00 0.00 C ATOM 321 C ALA A 20 23.141 4.844 6.778 1.00 0.00 C ATOM 322 O ALA A 20 24.242 5.340 7.016 1.00 0.00 O ATOM 323 CB ALA A 20 21.111 5.750 5.631 1.00 0.00 C ATOM 0 H ALA A 20 21.834 7.754 6.857 1.00 0.00 H new ATOM 0 HA ALA A 20 21.237 5.152 7.681 1.00 0.00 H new ATOM 0 HB1 ALA A 20 20.898 4.746 5.264 1.00 0.00 H new ATOM 0 HB2 ALA A 20 20.175 6.287 5.783 1.00 0.00 H new ATOM 0 HB3 ALA A 20 21.720 6.282 4.900 1.00 0.00 H new ATOM 329 N GLN A 21 22.985 3.591 6.363 1.00 0.00 N ATOM 330 CA GLN A 21 24.127 2.706 6.161 1.00 0.00 C ATOM 331 C GLN A 21 23.668 1.313 5.745 1.00 0.00 C ATOM 332 O GLN A 21 23.053 0.591 6.528 1.00 0.00 O ATOM 333 CB GLN A 21 24.965 2.620 7.438 1.00 0.00 C ATOM 334 CG GLN A 21 26.463 2.611 7.182 1.00 0.00 C ATOM 335 CD GLN A 21 27.110 3.955 7.450 1.00 0.00 C ATOM 336 OE1 GLN A 21 27.979 4.078 8.313 1.00 0.00 O ATOM 337 NE2 GLN A 21 26.688 4.973 6.709 1.00 0.00 N ATOM 0 H GLN A 21 22.080 3.166 6.160 1.00 0.00 H new ATOM 0 HA GLN A 21 24.740 3.121 5.361 1.00 0.00 H new ATOM 0 HB2 GLN A 21 24.720 3.465 8.081 1.00 0.00 H new ATOM 0 HB3 GLN A 21 24.692 1.716 7.982 1.00 0.00 H new ATOM 0 HG2 GLN A 21 26.931 1.855 7.813 1.00 0.00 H new ATOM 0 HG3 GLN A 21 26.649 2.323 6.147 1.00 0.00 H new ATOM 0 HE21 GLN A 21 25.965 4.826 6.005 1.00 0.00 H new ATOM 0 HE22 GLN A 21 27.087 5.902 6.844 1.00 0.00 H new ATOM 346 N GLY A 22 23.972 0.940 4.505 1.00 0.00 N ATOM 347 CA GLY A 22 23.583 -0.366 4.006 1.00 0.00 C ATOM 348 C GLY A 22 23.364 -0.372 2.506 1.00 0.00 C ATOM 349 O GLY A 22 23.798 0.543 1.806 1.00 0.00 O ATOM 0 H GLY A 22 24.481 1.519 3.837 1.00 0.00 H new ATOM 0 HA2 GLY A 22 24.354 -1.093 4.260 1.00 0.00 H new ATOM 0 HA3 GLY A 22 22.668 -0.684 4.505 1.00 0.00 H new ATOM 353 N GLU A 23 22.691 -1.406 2.012 1.00 0.00 N ATOM 354 CA GLU A 23 22.419 -1.528 0.585 1.00 0.00 C ATOM 355 C GLU A 23 20.964 -1.920 0.340 1.00 0.00 C ATOM 356 O GLU A 23 20.566 -2.192 -0.792 1.00 0.00 O ATOM 357 CB GLU A 23 23.351 -2.562 -0.049 1.00 0.00 C ATOM 358 CG GLU A 23 24.133 -2.029 -1.238 1.00 0.00 C ATOM 359 CD GLU A 23 25.310 -2.912 -1.605 1.00 0.00 C ATOM 360 OE1 GLU A 23 25.099 -4.126 -1.810 1.00 0.00 O ATOM 361 OE2 GLU A 23 26.441 -2.389 -1.687 1.00 0.00 O ATOM 0 H GLU A 23 22.324 -2.171 2.579 1.00 0.00 H new ATOM 0 HA GLU A 23 22.599 -0.557 0.123 1.00 0.00 H new ATOM 0 HB2 GLU A 23 24.052 -2.918 0.706 1.00 0.00 H new ATOM 0 HB3 GLU A 23 22.762 -3.422 -0.368 1.00 0.00 H new ATOM 0 HG2 GLU A 23 23.467 -1.942 -2.097 1.00 0.00 H new ATOM 0 HG3 GLU A 23 24.493 -1.026 -1.011 1.00 0.00 H new ATOM 368 N MET A 24 20.177 -1.948 1.411 1.00 0.00 N ATOM 369 CA MET A 24 18.767 -2.307 1.312 1.00 0.00 C ATOM 370 C MET A 24 17.921 -1.450 2.248 1.00 0.00 C ATOM 371 O MET A 24 18.265 -1.263 3.416 1.00 0.00 O ATOM 372 CB MET A 24 18.571 -3.788 1.643 1.00 0.00 C ATOM 373 CG MET A 24 19.849 -4.606 1.546 1.00 0.00 C ATOM 374 SD MET A 24 20.861 -4.491 3.034 1.00 0.00 S ATOM 375 CE MET A 24 22.461 -4.978 2.394 1.00 0.00 C ATOM 0 H MET A 24 20.491 -1.727 2.356 1.00 0.00 H new ATOM 0 HA MET A 24 18.443 -2.125 0.287 1.00 0.00 H new ATOM 0 HB2 MET A 24 18.168 -3.876 2.652 1.00 0.00 H new ATOM 0 HB3 MET A 24 17.828 -4.208 0.965 1.00 0.00 H new ATOM 0 HG2 MET A 24 19.595 -5.650 1.364 1.00 0.00 H new ATOM 0 HG3 MET A 24 20.430 -4.265 0.689 1.00 0.00 H new ATOM 0 HE1 MET A 24 22.809 -5.867 2.921 1.00 0.00 H new ATOM 0 HE2 MET A 24 22.376 -5.197 1.330 1.00 0.00 H new ATOM 0 HE3 MET A 24 23.174 -4.167 2.541 1.00 0.00 H new ATOM 385 N PHE A 25 16.814 -0.930 1.729 1.00 0.00 N ATOM 386 CA PHE A 25 15.920 -0.091 2.518 1.00 0.00 C ATOM 387 C PHE A 25 14.544 0.003 1.865 1.00 0.00 C ATOM 388 O PHE A 25 14.415 -0.101 0.645 1.00 0.00 O ATOM 389 CB PHE A 25 16.515 1.309 2.685 1.00 0.00 C ATOM 390 CG PHE A 25 17.937 1.303 3.169 1.00 0.00 C ATOM 391 CD1 PHE A 25 18.982 1.082 2.286 1.00 0.00 C ATOM 392 CD2 PHE A 25 18.228 1.519 4.506 1.00 0.00 C ATOM 393 CE1 PHE A 25 20.291 1.075 2.729 1.00 0.00 C ATOM 394 CE2 PHE A 25 19.535 1.513 4.955 1.00 0.00 C ATOM 395 CZ PHE A 25 20.568 1.292 4.065 1.00 0.00 C ATOM 0 H PHE A 25 16.514 -1.075 0.765 1.00 0.00 H new ATOM 0 HA PHE A 25 15.805 -0.549 3.500 1.00 0.00 H new ATOM 0 HB2 PHE A 25 16.467 1.832 1.730 1.00 0.00 H new ATOM 0 HB3 PHE A 25 15.903 1.874 3.388 1.00 0.00 H new ATOM 0 HD1 PHE A 25 18.771 0.913 1.240 1.00 0.00 H new ATOM 0 HD2 PHE A 25 17.424 1.694 5.206 1.00 0.00 H new ATOM 0 HE1 PHE A 25 21.097 0.900 2.031 1.00 0.00 H new ATOM 0 HE2 PHE A 25 19.748 1.681 6.000 1.00 0.00 H new ATOM 0 HZ PHE A 25 21.590 1.289 4.413 1.00 0.00 H new ATOM 405 N THR A 26 13.518 0.201 2.687 1.00 0.00 N ATOM 406 CA THR A 26 12.152 0.307 2.191 1.00 0.00 C ATOM 407 C THR A 26 11.742 1.765 2.017 1.00 0.00 C ATOM 408 O THR A 26 12.550 2.674 2.205 1.00 0.00 O ATOM 409 CB THR A 26 11.154 -0.386 3.139 1.00 0.00 C ATOM 410 OG1 THR A 26 11.837 -0.863 4.304 1.00 0.00 O ATOM 411 CG2 THR A 26 10.460 -1.545 2.441 1.00 0.00 C ATOM 0 H THR A 26 13.608 0.291 3.699 1.00 0.00 H new ATOM 0 HA THR A 26 12.128 -0.192 1.222 1.00 0.00 H new ATOM 0 HB THR A 26 10.399 0.343 3.434 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.196 -1.301 4.903 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.761 -2.018 3.130 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.918 -1.174 1.571 1.00 0.00 H new ATOM 0 HG23 THR A 26 11.204 -2.275 2.121 1.00 0.00 H new ATOM 419 N VAL A 27 10.480 1.981 1.658 1.00 0.00 N ATOM 420 CA VAL A 27 9.962 3.330 1.461 1.00 0.00 C ATOM 421 C VAL A 27 10.209 4.198 2.689 1.00 0.00 C ATOM 422 O VAL A 27 10.777 5.286 2.591 1.00 0.00 O ATOM 423 CB VAL A 27 8.453 3.312 1.153 1.00 0.00 C ATOM 424 CG1 VAL A 27 8.087 4.446 0.208 1.00 0.00 C ATOM 425 CG2 VAL A 27 8.045 1.967 0.570 1.00 0.00 C ATOM 0 H VAL A 27 9.798 1.240 1.498 1.00 0.00 H new ATOM 0 HA VAL A 27 10.494 3.752 0.609 1.00 0.00 H new ATOM 0 HB VAL A 27 7.907 3.459 2.085 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.017 4.417 0.002 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.342 5.400 0.669 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.639 4.335 -0.725 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.976 1.972 0.358 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.597 1.788 -0.353 1.00 0.00 H new ATOM 0 HG23 VAL A 27 8.270 1.177 1.286 1.00 0.00 H new ATOM 435 N LYS A 28 9.778 3.711 3.848 1.00 0.00 N ATOM 436 CA LYS A 28 9.953 4.440 5.098 1.00 0.00 C ATOM 437 C LYS A 28 11.432 4.667 5.393 1.00 0.00 C ATOM 438 O LYS A 28 11.852 5.789 5.675 1.00 0.00 O ATOM 439 CB LYS A 28 9.302 3.677 6.254 1.00 0.00 C ATOM 440 CG LYS A 28 8.114 2.831 5.831 1.00 0.00 C ATOM 441 CD LYS A 28 8.541 1.427 5.435 1.00 0.00 C ATOM 442 CE LYS A 28 8.340 0.441 6.576 1.00 0.00 C ATOM 443 NZ LYS A 28 6.904 0.089 6.759 1.00 0.00 N ATOM 0 H LYS A 28 9.304 2.813 3.947 1.00 0.00 H new ATOM 0 HA LYS A 28 9.468 5.411 4.994 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.048 3.033 6.720 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.978 4.390 7.012 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.396 2.777 6.649 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.607 3.308 4.992 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.967 1.102 4.567 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.590 1.434 5.139 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.914 -0.465 6.379 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.729 0.870 7.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.740 -0.197 7.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.313 0.915 6.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.656 -0.697 6.124 1.00 0.00 H new ATOM 457 N GLU A 29 12.215 3.596 5.326 1.00 0.00 N ATOM 458 CA GLU A 29 13.648 3.680 5.586 1.00 0.00 C ATOM 459 C GLU A 29 14.303 4.725 4.687 1.00 0.00 C ATOM 460 O GLU A 29 15.214 5.438 5.107 1.00 0.00 O ATOM 461 CB GLU A 29 14.309 2.317 5.368 1.00 0.00 C ATOM 462 CG GLU A 29 13.748 1.220 6.257 1.00 0.00 C ATOM 463 CD GLU A 29 13.627 1.648 7.706 1.00 0.00 C ATOM 464 OE1 GLU A 29 14.599 2.222 8.240 1.00 0.00 O ATOM 465 OE2 GLU A 29 12.558 1.409 8.307 1.00 0.00 O ATOM 0 H GLU A 29 11.882 2.660 5.094 1.00 0.00 H new ATOM 0 HA GLU A 29 13.786 3.981 6.625 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.187 2.026 4.325 1.00 0.00 H new ATOM 0 HB3 GLU A 29 15.380 2.409 5.550 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.767 0.924 5.887 1.00 0.00 H new ATOM 0 HG3 GLU A 29 14.391 0.342 6.194 1.00 0.00 H new ATOM 472 N VAL A 30 13.833 4.809 3.446 1.00 0.00 N ATOM 473 CA VAL A 30 14.372 5.766 2.488 1.00 0.00 C ATOM 474 C VAL A 30 13.922 7.185 2.815 1.00 0.00 C ATOM 475 O VAL A 30 14.745 8.069 3.048 1.00 0.00 O ATOM 476 CB VAL A 30 13.942 5.422 1.049 1.00 0.00 C ATOM 477 CG1 VAL A 30 14.504 6.437 0.066 1.00 0.00 C ATOM 478 CG2 VAL A 30 14.383 4.012 0.684 1.00 0.00 C ATOM 0 H VAL A 30 13.080 4.226 3.081 1.00 0.00 H new ATOM 0 HA VAL A 30 15.458 5.707 2.559 1.00 0.00 H new ATOM 0 HB VAL A 30 12.854 5.463 0.994 1.00 0.00 H new ATOM 0 HG11 VAL A 30 14.190 6.177 -0.945 1.00 0.00 H new ATOM 0 HG12 VAL A 30 14.133 7.431 0.317 1.00 0.00 H new ATOM 0 HG13 VAL A 30 15.593 6.432 0.120 1.00 0.00 H new ATOM 0 HG21 VAL A 30 14.071 3.786 -0.336 1.00 0.00 H new ATOM 0 HG22 VAL A 30 15.468 3.940 0.756 1.00 0.00 H new ATOM 0 HG23 VAL A 30 13.926 3.299 1.370 1.00 0.00 H new ATOM 488 N MET A 31 12.609 7.394 2.832 1.00 0.00 N ATOM 489 CA MET A 31 12.049 8.707 3.133 1.00 0.00 C ATOM 490 C MET A 31 12.600 9.243 4.450 1.00 0.00 C ATOM 491 O MET A 31 13.014 10.400 4.536 1.00 0.00 O ATOM 492 CB MET A 31 10.523 8.630 3.198 1.00 0.00 C ATOM 493 CG MET A 31 9.932 9.314 4.421 1.00 0.00 C ATOM 494 SD MET A 31 8.220 9.823 4.172 1.00 0.00 S ATOM 495 CE MET A 31 8.430 11.147 2.984 1.00 0.00 C ATOM 0 H MET A 31 11.914 6.672 2.641 1.00 0.00 H new ATOM 0 HA MET A 31 12.337 9.390 2.334 1.00 0.00 H new ATOM 0 HB2 MET A 31 10.106 9.085 2.300 1.00 0.00 H new ATOM 0 HB3 MET A 31 10.220 7.583 3.195 1.00 0.00 H new ATOM 0 HG2 MET A 31 9.985 8.636 5.273 1.00 0.00 H new ATOM 0 HG3 MET A 31 10.534 10.188 4.671 1.00 0.00 H new ATOM 0 HE1 MET A 31 8.091 12.086 3.422 1.00 0.00 H new ATOM 0 HE2 MET A 31 9.483 11.231 2.716 1.00 0.00 H new ATOM 0 HE3 MET A 31 7.844 10.931 2.091 1.00 0.00 H new ATOM 505 N HIS A 32 12.601 8.397 5.475 1.00 0.00 N ATOM 506 CA HIS A 32 13.102 8.787 6.789 1.00 0.00 C ATOM 507 C HIS A 32 14.488 9.414 6.677 1.00 0.00 C ATOM 508 O HIS A 32 14.836 10.314 7.442 1.00 0.00 O ATOM 509 CB HIS A 32 13.151 7.575 7.719 1.00 0.00 C ATOM 510 CG HIS A 32 13.067 7.931 9.172 1.00 0.00 C ATOM 511 ND1 HIS A 32 12.072 7.464 10.005 1.00 0.00 N ATOM 512 CD2 HIS A 32 13.862 8.713 9.939 1.00 0.00 C ATOM 513 CE1 HIS A 32 12.258 7.945 11.221 1.00 0.00 C ATOM 514 NE2 HIS A 32 13.337 8.706 11.208 1.00 0.00 N ATOM 0 H HIS A 32 12.261 7.437 5.422 1.00 0.00 H new ATOM 0 HA HIS A 32 12.420 9.528 7.206 1.00 0.00 H new ATOM 0 HB2 HIS A 32 12.330 6.903 7.470 1.00 0.00 H new ATOM 0 HB3 HIS A 32 14.076 7.027 7.540 1.00 0.00 H new ATOM 0 HD2 HIS A 32 14.745 9.244 9.614 1.00 0.00 H new ATOM 0 HE1 HIS A 32 11.634 7.749 12.080 1.00 0.00 H new ATOM 0 HE2 HIS A 32 13.719 9.207 12.010 1.00 0.00 H new ATOM 522 N TYR A 33 15.275 8.933 5.721 1.00 0.00 N ATOM 523 CA TYR A 33 16.624 9.444 5.512 1.00 0.00 C ATOM 524 C TYR A 33 16.590 10.815 4.845 1.00 0.00 C ATOM 525 O TYR A 33 17.372 11.704 5.184 1.00 0.00 O ATOM 526 CB TYR A 33 17.435 8.468 4.658 1.00 0.00 C ATOM 527 CG TYR A 33 17.841 7.212 5.394 1.00 0.00 C ATOM 528 CD1 TYR A 33 18.382 7.275 6.672 1.00 0.00 C ATOM 529 CD2 TYR A 33 17.682 5.960 4.812 1.00 0.00 C ATOM 530 CE1 TYR A 33 18.755 6.130 7.348 1.00 0.00 C ATOM 531 CE2 TYR A 33 18.051 4.809 5.481 1.00 0.00 C ATOM 532 CZ TYR A 33 18.587 4.899 6.749 1.00 0.00 C ATOM 533 OH TYR A 33 18.956 3.755 7.419 1.00 0.00 O ATOM 0 H TYR A 33 15.002 8.190 5.078 1.00 0.00 H new ATOM 0 HA TYR A 33 17.101 9.547 6.486 1.00 0.00 H new ATOM 0 HB2 TYR A 33 16.849 8.192 3.781 1.00 0.00 H new ATOM 0 HB3 TYR A 33 18.331 8.973 4.296 1.00 0.00 H new ATOM 0 HD1 TYR A 33 18.513 8.237 7.145 1.00 0.00 H new ATOM 0 HD2 TYR A 33 17.263 5.886 3.820 1.00 0.00 H new ATOM 0 HE1 TYR A 33 19.176 6.198 8.340 1.00 0.00 H new ATOM 0 HE2 TYR A 33 17.921 3.844 5.014 1.00 0.00 H new ATOM 0 HH TYR A 33 18.642 2.970 6.924 1.00 0.00 H new ATOM 543 N LEU A 34 15.678 10.980 3.893 1.00 0.00 N ATOM 544 CA LEU A 34 15.539 12.243 3.176 1.00 0.00 C ATOM 545 C LEU A 34 15.322 13.399 4.147 1.00 0.00 C ATOM 546 O LEU A 34 16.092 14.358 4.169 1.00 0.00 O ATOM 547 CB LEU A 34 14.373 12.166 2.189 1.00 0.00 C ATOM 548 CG LEU A 34 14.676 11.504 0.844 1.00 0.00 C ATOM 549 CD1 LEU A 34 13.928 10.186 0.716 1.00 0.00 C ATOM 550 CD2 LEU A 34 14.315 12.437 -0.303 1.00 0.00 C ATOM 0 H LEU A 34 15.024 10.255 3.600 1.00 0.00 H new ATOM 0 HA LEU A 34 16.462 12.423 2.625 1.00 0.00 H new ATOM 0 HB2 LEU A 34 13.556 11.622 2.664 1.00 0.00 H new ATOM 0 HB3 LEU A 34 14.015 13.178 2.001 1.00 0.00 H new ATOM 0 HG LEU A 34 15.745 11.297 0.796 1.00 0.00 H new ATOM 0 HD11 LEU A 34 14.156 9.730 -0.247 1.00 0.00 H new ATOM 0 HD12 LEU A 34 14.235 9.514 1.517 1.00 0.00 H new ATOM 0 HD13 LEU A 34 12.856 10.368 0.786 1.00 0.00 H new ATOM 0 HD21 LEU A 34 14.537 11.950 -1.252 1.00 0.00 H new ATOM 0 HD22 LEU A 34 13.252 12.675 -0.257 1.00 0.00 H new ATOM 0 HD23 LEU A 34 14.897 13.355 -0.222 1.00 0.00 H new ATOM 562 N GLY A 35 14.268 13.300 4.952 1.00 0.00 N ATOM 563 CA GLY A 35 13.969 14.343 5.916 1.00 0.00 C ATOM 564 C GLY A 35 15.171 14.710 6.763 1.00 0.00 C ATOM 565 O GLY A 35 15.477 15.889 6.939 1.00 0.00 O ATOM 0 H GLY A 35 13.616 12.516 4.954 1.00 0.00 H new ATOM 0 HA2 GLY A 35 13.615 15.229 5.390 1.00 0.00 H new ATOM 0 HA3 GLY A 35 13.158 14.012 6.565 1.00 0.00 H new ATOM 569 N GLN A 36 15.852 13.698 7.291 1.00 0.00 N ATOM 570 CA GLN A 36 17.026 13.921 8.127 1.00 0.00 C ATOM 571 C GLN A 36 18.174 14.503 7.309 1.00 0.00 C ATOM 572 O GLN A 36 18.950 15.320 7.805 1.00 0.00 O ATOM 573 CB GLN A 36 17.465 12.612 8.786 1.00 0.00 C ATOM 574 CG GLN A 36 16.401 11.993 9.677 1.00 0.00 C ATOM 575 CD GLN A 36 16.740 12.100 11.151 1.00 0.00 C ATOM 576 OE1 GLN A 36 15.993 12.694 11.930 1.00 0.00 O ATOM 577 NE2 GLN A 36 17.870 11.524 11.543 1.00 0.00 N ATOM 0 H GLN A 36 15.611 12.716 7.155 1.00 0.00 H new ATOM 0 HA GLN A 36 16.758 14.638 8.903 1.00 0.00 H new ATOM 0 HB2 GLN A 36 17.737 11.897 8.009 1.00 0.00 H new ATOM 0 HB3 GLN A 36 18.361 12.796 9.378 1.00 0.00 H new ATOM 0 HG2 GLN A 36 15.446 12.484 9.491 1.00 0.00 H new ATOM 0 HG3 GLN A 36 16.276 10.943 9.412 1.00 0.00 H new ATOM 0 HE21 GLN A 36 18.459 11.042 10.864 1.00 0.00 H new ATOM 0 HE22 GLN A 36 18.149 11.563 12.523 1.00 0.00 H new ATOM 586 N TYR A 37 18.277 14.076 6.056 1.00 0.00 N ATOM 587 CA TYR A 37 19.332 14.552 5.170 1.00 0.00 C ATOM 588 C TYR A 37 19.207 16.054 4.932 1.00 0.00 C ATOM 589 O TYR A 37 20.203 16.778 4.929 1.00 0.00 O ATOM 590 CB TYR A 37 19.282 13.808 3.835 1.00 0.00 C ATOM 591 CG TYR A 37 20.275 14.321 2.817 1.00 0.00 C ATOM 592 CD1 TYR A 37 21.641 14.272 3.066 1.00 0.00 C ATOM 593 CD2 TYR A 37 19.848 14.855 1.608 1.00 0.00 C ATOM 594 CE1 TYR A 37 22.553 14.740 2.139 1.00 0.00 C ATOM 595 CE2 TYR A 37 20.752 15.324 0.675 1.00 0.00 C ATOM 596 CZ TYR A 37 22.104 15.265 0.945 1.00 0.00 C ATOM 597 OH TYR A 37 23.008 15.733 0.019 1.00 0.00 O ATOM 0 H TYR A 37 17.642 13.400 5.631 1.00 0.00 H new ATOM 0 HA TYR A 37 20.290 14.356 5.651 1.00 0.00 H new ATOM 0 HB2 TYR A 37 19.470 12.749 4.012 1.00 0.00 H new ATOM 0 HB3 TYR A 37 18.277 13.888 3.422 1.00 0.00 H new ATOM 0 HD1 TYR A 37 21.996 13.861 4.000 1.00 0.00 H new ATOM 0 HD2 TYR A 37 18.791 14.904 1.394 1.00 0.00 H new ATOM 0 HE1 TYR A 37 23.612 14.695 2.348 1.00 0.00 H new ATOM 0 HE2 TYR A 37 20.403 15.735 -0.261 1.00 0.00 H new ATOM 0 HH TYR A 37 22.528 16.068 -0.767 1.00 0.00 H new ATOM 607 N ILE A 38 17.977 16.515 4.734 1.00 0.00 N ATOM 608 CA ILE A 38 17.720 17.930 4.497 1.00 0.00 C ATOM 609 C ILE A 38 17.987 18.754 5.752 1.00 0.00 C ATOM 610 O ILE A 38 18.604 19.817 5.689 1.00 0.00 O ATOM 611 CB ILE A 38 16.270 18.170 4.038 1.00 0.00 C ATOM 612 CG1 ILE A 38 15.904 17.205 2.908 1.00 0.00 C ATOM 613 CG2 ILE A 38 16.088 19.612 3.590 1.00 0.00 C ATOM 614 CD1 ILE A 38 14.435 16.843 2.875 1.00 0.00 C ATOM 0 H ILE A 38 17.142 15.929 4.733 1.00 0.00 H new ATOM 0 HA ILE A 38 18.400 18.246 3.706 1.00 0.00 H new ATOM 0 HB ILE A 38 15.602 17.985 4.880 1.00 0.00 H new ATOM 0 HG12 ILE A 38 16.181 17.654 1.954 1.00 0.00 H new ATOM 0 HG13 ILE A 38 16.492 16.294 3.014 1.00 0.00 H new ATOM 0 HG21 ILE A 38 15.058 19.766 3.268 1.00 0.00 H new ATOM 0 HG22 ILE A 38 16.313 20.282 4.420 1.00 0.00 H new ATOM 0 HG23 ILE A 38 16.762 19.823 2.760 1.00 0.00 H new ATOM 0 HD11 ILE A 38 14.248 16.156 2.049 1.00 0.00 H new ATOM 0 HD12 ILE A 38 14.157 16.365 3.814 1.00 0.00 H new ATOM 0 HD13 ILE A 38 13.841 17.746 2.737 1.00 0.00 H new ATOM 626 N MET A 39 17.519 18.256 6.892 1.00 0.00 N ATOM 627 CA MET A 39 17.710 18.945 8.162 1.00 0.00 C ATOM 628 C MET A 39 19.185 18.975 8.548 1.00 0.00 C ATOM 629 O MET A 39 19.640 19.893 9.232 1.00 0.00 O ATOM 630 CB MET A 39 16.896 18.263 9.264 1.00 0.00 C ATOM 631 CG MET A 39 17.751 17.529 10.285 1.00 0.00 C ATOM 632 SD MET A 39 18.522 18.642 11.475 1.00 0.00 S ATOM 633 CE MET A 39 17.082 19.470 12.146 1.00 0.00 C ATOM 0 H MET A 39 17.005 17.378 6.962 1.00 0.00 H new ATOM 0 HA MET A 39 17.362 19.972 8.046 1.00 0.00 H new ATOM 0 HB2 MET A 39 16.295 19.013 9.778 1.00 0.00 H new ATOM 0 HB3 MET A 39 16.202 17.557 8.808 1.00 0.00 H new ATOM 0 HG2 MET A 39 17.133 16.806 10.817 1.00 0.00 H new ATOM 0 HG3 MET A 39 18.526 16.965 9.766 1.00 0.00 H new ATOM 0 HE1 MET A 39 17.235 19.662 13.208 1.00 0.00 H new ATOM 0 HE2 MET A 39 16.930 20.415 11.625 1.00 0.00 H new ATOM 0 HE3 MET A 39 16.204 18.837 12.014 1.00 0.00 H new ATOM 643 N VAL A 40 19.929 17.966 8.106 1.00 0.00 N ATOM 644 CA VAL A 40 21.353 17.878 8.404 1.00 0.00 C ATOM 645 C VAL A 40 22.161 18.813 7.511 1.00 0.00 C ATOM 646 O VAL A 40 23.114 19.449 7.959 1.00 0.00 O ATOM 647 CB VAL A 40 21.875 16.440 8.229 1.00 0.00 C ATOM 648 CG1 VAL A 40 22.808 16.353 7.031 1.00 0.00 C ATOM 649 CG2 VAL A 40 22.575 15.969 9.495 1.00 0.00 C ATOM 0 H VAL A 40 19.569 17.198 7.540 1.00 0.00 H new ATOM 0 HA VAL A 40 21.477 18.178 9.445 1.00 0.00 H new ATOM 0 HB VAL A 40 21.024 15.783 8.046 1.00 0.00 H new ATOM 0 HG11 VAL A 40 23.167 15.330 6.923 1.00 0.00 H new ATOM 0 HG12 VAL A 40 22.270 16.646 6.129 1.00 0.00 H new ATOM 0 HG13 VAL A 40 23.656 17.021 7.181 1.00 0.00 H new ATOM 0 HG21 VAL A 40 22.937 14.951 9.353 1.00 0.00 H new ATOM 0 HG22 VAL A 40 23.417 16.627 9.712 1.00 0.00 H new ATOM 0 HG23 VAL A 40 21.873 15.991 10.329 1.00 0.00 H new ATOM 659 N LYS A 41 21.773 18.891 6.242 1.00 0.00 N ATOM 660 CA LYS A 41 22.459 19.750 5.283 1.00 0.00 C ATOM 661 C LYS A 41 21.939 21.181 5.365 1.00 0.00 C ATOM 662 O LYS A 41 22.571 22.110 4.863 1.00 0.00 O ATOM 663 CB LYS A 41 22.277 19.210 3.863 1.00 0.00 C ATOM 664 CG LYS A 41 23.395 18.284 3.416 1.00 0.00 C ATOM 665 CD LYS A 41 24.758 18.930 3.593 1.00 0.00 C ATOM 666 CE LYS A 41 25.436 18.460 4.871 1.00 0.00 C ATOM 667 NZ LYS A 41 26.701 17.726 4.591 1.00 0.00 N ATOM 0 H LYS A 41 20.987 18.370 5.854 1.00 0.00 H new ATOM 0 HA LYS A 41 23.521 19.754 5.531 1.00 0.00 H new ATOM 0 HB2 LYS A 41 21.329 18.675 3.805 1.00 0.00 H new ATOM 0 HB3 LYS A 41 22.212 20.049 3.170 1.00 0.00 H new ATOM 0 HG2 LYS A 41 23.353 17.358 3.990 1.00 0.00 H new ATOM 0 HG3 LYS A 41 23.251 18.017 2.369 1.00 0.00 H new ATOM 0 HD2 LYS A 41 25.389 18.692 2.737 1.00 0.00 H new ATOM 0 HD3 LYS A 41 24.648 20.014 3.616 1.00 0.00 H new ATOM 0 HE2 LYS A 41 25.648 19.320 5.507 1.00 0.00 H new ATOM 0 HE3 LYS A 41 24.756 17.813 5.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 27.132 17.423 5.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 26.496 16.891 4.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 27.360 18.351 4.084 1.00 0.00 H new ATOM 681 N GLN A 42 20.784 21.351 6.002 1.00 0.00 N ATOM 682 CA GLN A 42 20.181 22.670 6.150 1.00 0.00 C ATOM 683 C GLN A 42 19.639 23.173 4.816 1.00 0.00 C ATOM 684 O GLN A 42 19.849 24.329 4.445 1.00 0.00 O ATOM 685 CB GLN A 42 21.203 23.663 6.706 1.00 0.00 C ATOM 686 CG GLN A 42 20.835 24.213 8.074 1.00 0.00 C ATOM 687 CD GLN A 42 21.622 23.564 9.195 1.00 0.00 C ATOM 688 OE1 GLN A 42 22.025 24.227 10.151 1.00 0.00 O ATOM 689 NE2 GLN A 42 21.845 22.260 9.085 1.00 0.00 N ATOM 0 H GLN A 42 20.248 20.592 6.423 1.00 0.00 H new ATOM 0 HA GLN A 42 19.350 22.585 6.851 1.00 0.00 H new ATOM 0 HB2 GLN A 42 22.175 23.174 6.770 1.00 0.00 H new ATOM 0 HB3 GLN A 42 21.309 24.492 6.007 1.00 0.00 H new ATOM 0 HG2 GLN A 42 21.010 25.289 8.088 1.00 0.00 H new ATOM 0 HG3 GLN A 42 19.770 24.061 8.248 1.00 0.00 H new ATOM 0 HE21 GLN A 42 21.493 21.749 8.276 1.00 0.00 H new ATOM 0 HE22 GLN A 42 22.369 21.769 9.810 1.00 0.00 H new ATOM 698 N LEU A 43 18.942 22.299 4.098 1.00 0.00 N ATOM 699 CA LEU A 43 18.371 22.655 2.804 1.00 0.00 C ATOM 700 C LEU A 43 16.847 22.670 2.868 1.00 0.00 C ATOM 701 O LEU A 43 16.178 21.905 2.172 1.00 0.00 O ATOM 702 CB LEU A 43 18.838 21.671 1.730 1.00 0.00 C ATOM 703 CG LEU A 43 20.239 21.087 1.918 1.00 0.00 C ATOM 704 CD1 LEU A 43 20.446 19.890 1.003 1.00 0.00 C ATOM 705 CD2 LEU A 43 21.298 22.149 1.658 1.00 0.00 C ATOM 0 H LEU A 43 18.759 21.339 4.390 1.00 0.00 H new ATOM 0 HA LEU A 43 18.716 23.656 2.545 1.00 0.00 H new ATOM 0 HB2 LEU A 43 18.126 20.847 1.686 1.00 0.00 H new ATOM 0 HB3 LEU A 43 18.803 22.175 0.764 1.00 0.00 H new ATOM 0 HG LEU A 43 20.336 20.750 2.950 1.00 0.00 H new ATOM 0 HD11 LEU A 43 21.448 19.488 1.151 1.00 0.00 H new ATOM 0 HD12 LEU A 43 19.709 19.122 1.236 1.00 0.00 H new ATOM 0 HD13 LEU A 43 20.329 20.201 -0.035 1.00 0.00 H new ATOM 0 HD21 LEU A 43 22.289 21.716 1.796 1.00 0.00 H new ATOM 0 HD22 LEU A 43 21.202 22.516 0.636 1.00 0.00 H new ATOM 0 HD23 LEU A 43 21.163 22.976 2.355 1.00 0.00 H new ATOM 717 N TYR A 44 16.304 23.547 3.705 1.00 0.00 N ATOM 718 CA TYR A 44 14.858 23.661 3.860 1.00 0.00 C ATOM 719 C TYR A 44 14.482 25.000 4.487 1.00 0.00 C ATOM 720 O TYR A 44 15.350 25.798 4.842 1.00 0.00 O ATOM 721 CB TYR A 44 14.324 22.514 4.719 1.00 0.00 C ATOM 722 CG TYR A 44 14.881 22.500 6.124 1.00 0.00 C ATOM 723 CD1 TYR A 44 16.211 22.175 6.362 1.00 0.00 C ATOM 724 CD2 TYR A 44 14.077 22.810 7.214 1.00 0.00 C ATOM 725 CE1 TYR A 44 16.724 22.160 7.644 1.00 0.00 C ATOM 726 CE2 TYR A 44 14.582 22.798 8.500 1.00 0.00 C ATOM 727 CZ TYR A 44 15.906 22.473 8.710 1.00 0.00 C ATOM 728 OH TYR A 44 16.413 22.459 9.989 1.00 0.00 O ATOM 0 H TYR A 44 16.843 24.189 4.286 1.00 0.00 H new ATOM 0 HA TYR A 44 14.406 23.604 2.870 1.00 0.00 H new ATOM 0 HB2 TYR A 44 13.237 22.584 4.769 1.00 0.00 H new ATOM 0 HB3 TYR A 44 14.561 21.567 4.234 1.00 0.00 H new ATOM 0 HD1 TYR A 44 16.855 21.930 5.530 1.00 0.00 H new ATOM 0 HD2 TYR A 44 13.040 23.065 7.053 1.00 0.00 H new ATOM 0 HE1 TYR A 44 17.760 21.905 7.811 1.00 0.00 H new ATOM 0 HE2 TYR A 44 13.944 23.042 9.336 1.00 0.00 H new ATOM 0 HH TYR A 44 15.707 22.704 10.623 1.00 0.00 H new ATOM 738 N ASP A 45 13.182 25.239 4.622 1.00 0.00 N ATOM 739 CA ASP A 45 12.689 26.479 5.208 1.00 0.00 C ATOM 740 C ASP A 45 12.532 26.341 6.719 1.00 0.00 C ATOM 741 O ASP A 45 11.542 25.791 7.201 1.00 0.00 O ATOM 742 CB ASP A 45 11.352 26.870 4.577 1.00 0.00 C ATOM 743 CG ASP A 45 10.610 27.912 5.392 1.00 0.00 C ATOM 744 OD1 ASP A 45 11.209 28.458 6.342 1.00 0.00 O ATOM 745 OD2 ASP A 45 9.432 28.182 5.079 1.00 0.00 O ATOM 0 H ASP A 45 12.451 24.589 4.333 1.00 0.00 H new ATOM 0 HA ASP A 45 13.419 27.263 5.007 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.526 27.255 3.572 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.729 25.982 4.474 1.00 0.00 H new ATOM 750 N GLN A 46 13.515 26.843 7.460 1.00 0.00 N ATOM 751 CA GLN A 46 13.486 26.774 8.916 1.00 0.00 C ATOM 752 C GLN A 46 12.171 27.322 9.461 1.00 0.00 C ATOM 753 O GLN A 46 11.649 26.827 10.460 1.00 0.00 O ATOM 754 CB GLN A 46 14.661 27.553 9.508 1.00 0.00 C ATOM 755 CG GLN A 46 15.999 27.213 8.872 1.00 0.00 C ATOM 756 CD GLN A 46 16.331 28.111 7.696 1.00 0.00 C ATOM 757 OE1 GLN A 46 16.697 29.273 7.872 1.00 0.00 O ATOM 758 NE2 GLN A 46 16.205 27.575 6.488 1.00 0.00 N ATOM 0 H GLN A 46 14.341 27.302 7.076 1.00 0.00 H new ATOM 0 HA GLN A 46 13.570 25.727 9.207 1.00 0.00 H new ATOM 0 HB2 GLN A 46 14.474 28.620 9.392 1.00 0.00 H new ATOM 0 HB3 GLN A 46 14.716 27.354 10.578 1.00 0.00 H new ATOM 0 HG2 GLN A 46 16.785 27.297 9.622 1.00 0.00 H new ATOM 0 HG3 GLN A 46 15.986 26.175 8.539 1.00 0.00 H new ATOM 0 HE21 GLN A 46 15.898 26.607 6.389 1.00 0.00 H new ATOM 0 HE22 GLN A 46 16.415 28.131 5.659 1.00 0.00 H new ATOM 767 N GLN A 47 11.642 28.345 8.798 1.00 0.00 N ATOM 768 CA GLN A 47 10.388 28.960 9.217 1.00 0.00 C ATOM 769 C GLN A 47 9.221 27.994 9.039 1.00 0.00 C ATOM 770 O GLN A 47 8.233 28.060 9.769 1.00 0.00 O ATOM 771 CB GLN A 47 10.132 30.240 8.420 1.00 0.00 C ATOM 772 CG GLN A 47 11.403 30.920 7.936 1.00 0.00 C ATOM 773 CD GLN A 47 12.512 30.888 8.969 1.00 0.00 C ATOM 774 OE1 GLN A 47 12.287 31.169 10.146 1.00 0.00 O ATOM 775 NE2 GLN A 47 13.718 30.544 8.532 1.00 0.00 N ATOM 0 H GLN A 47 12.062 28.765 7.969 1.00 0.00 H new ATOM 0 HA GLN A 47 10.471 29.209 10.275 1.00 0.00 H new ATOM 0 HB2 GLN A 47 9.506 30.003 7.559 1.00 0.00 H new ATOM 0 HB3 GLN A 47 9.570 30.938 9.040 1.00 0.00 H new ATOM 0 HG2 GLN A 47 11.747 30.432 7.024 1.00 0.00 H new ATOM 0 HG3 GLN A 47 11.181 31.956 7.679 1.00 0.00 H new ATOM 0 HE21 GLN A 47 13.859 30.319 7.547 1.00 0.00 H new ATOM 0 HE22 GLN A 47 14.504 30.505 9.181 1.00 0.00 H new ATOM 784 N GLU A 48 9.344 27.098 8.064 1.00 0.00 N ATOM 785 CA GLU A 48 8.299 26.120 7.791 1.00 0.00 C ATOM 786 C GLU A 48 8.893 24.830 7.232 1.00 0.00 C ATOM 787 O GLU A 48 9.125 24.713 6.029 1.00 0.00 O ATOM 788 CB GLU A 48 7.278 26.693 6.805 1.00 0.00 C ATOM 789 CG GLU A 48 6.006 27.193 7.468 1.00 0.00 C ATOM 790 CD GLU A 48 5.462 28.449 6.816 1.00 0.00 C ATOM 791 OE1 GLU A 48 5.729 28.655 5.613 1.00 0.00 O ATOM 792 OE2 GLU A 48 4.771 29.226 7.507 1.00 0.00 O ATOM 0 H GLU A 48 10.156 27.030 7.451 1.00 0.00 H new ATOM 0 HA GLU A 48 7.797 25.891 8.731 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.738 27.514 6.255 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.020 25.926 6.075 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.248 26.410 7.428 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.204 27.392 8.521 1.00 0.00 H new ATOM 799 N GLN A 49 9.137 23.867 8.114 1.00 0.00 N ATOM 800 CA GLN A 49 9.705 22.587 7.709 1.00 0.00 C ATOM 801 C GLN A 49 8.895 21.965 6.576 1.00 0.00 C ATOM 802 O GLN A 49 9.383 21.093 5.856 1.00 0.00 O ATOM 803 CB GLN A 49 9.758 21.628 8.900 1.00 0.00 C ATOM 804 CG GLN A 49 10.841 21.971 9.910 1.00 0.00 C ATOM 805 CD GLN A 49 10.332 22.851 11.035 1.00 0.00 C ATOM 806 OE1 GLN A 49 9.237 22.640 11.557 1.00 0.00 O ATOM 807 NE2 GLN A 49 11.127 23.844 11.416 1.00 0.00 N ATOM 0 H GLN A 49 8.950 23.949 9.113 1.00 0.00 H new ATOM 0 HA GLN A 49 10.719 22.766 7.350 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.790 21.632 9.402 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.923 20.615 8.533 1.00 0.00 H new ATOM 0 HG2 GLN A 49 11.246 21.050 10.329 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.661 22.477 9.400 1.00 0.00 H new ATOM 0 HE21 GLN A 49 12.027 23.982 10.956 1.00 0.00 H new ATOM 0 HE22 GLN A 49 10.838 24.468 12.169 1.00 0.00 H new ATOM 816 N HIS A 50 7.655 22.419 6.424 1.00 0.00 N ATOM 817 CA HIS A 50 6.777 21.907 5.378 1.00 0.00 C ATOM 818 C HIS A 50 7.270 22.333 3.998 1.00 0.00 C ATOM 819 O HIS A 50 6.728 21.910 2.978 1.00 0.00 O ATOM 820 CB HIS A 50 5.347 22.402 5.597 1.00 0.00 C ATOM 821 CG HIS A 50 5.114 23.798 5.105 1.00 0.00 C ATOM 822 ND1 HIS A 50 4.617 24.805 5.906 1.00 0.00 N ATOM 823 CD2 HIS A 50 5.316 24.353 3.887 1.00 0.00 C ATOM 824 CE1 HIS A 50 4.520 25.918 5.201 1.00 0.00 C ATOM 825 NE2 HIS A 50 4.939 25.671 3.973 1.00 0.00 N ATOM 0 H HIS A 50 7.236 23.140 7.011 1.00 0.00 H new ATOM 0 HA HIS A 50 6.789 20.818 5.428 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.656 21.727 5.091 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.115 22.357 6.661 1.00 0.00 H new ATOM 0 HD1 HIS A 50 4.364 24.706 6.889 1.00 0.00 H new ATOM 0 HD2 HIS A 50 5.702 23.853 3.011 1.00 0.00 H new ATOM 0 HE1 HIS A 50 4.159 26.868 5.567 1.00 0.00 H new ATOM 833 N MET A 51 8.300 23.172 3.976 1.00 0.00 N ATOM 834 CA MET A 51 8.865 23.654 2.722 1.00 0.00 C ATOM 835 C MET A 51 10.358 23.348 2.645 1.00 0.00 C ATOM 836 O MET A 51 11.177 24.052 3.235 1.00 0.00 O ATOM 837 CB MET A 51 8.634 25.160 2.578 1.00 0.00 C ATOM 838 CG MET A 51 7.959 25.550 1.273 1.00 0.00 C ATOM 839 SD MET A 51 9.083 26.375 0.130 1.00 0.00 S ATOM 840 CE MET A 51 10.275 25.073 -0.173 1.00 0.00 C ATOM 0 H MET A 51 8.760 23.532 4.812 1.00 0.00 H new ATOM 0 HA MET A 51 8.363 23.137 1.904 1.00 0.00 H new ATOM 0 HB2 MET A 51 8.023 25.507 3.411 1.00 0.00 H new ATOM 0 HB3 MET A 51 9.592 25.675 2.650 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.554 24.657 0.797 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.117 26.208 1.487 1.00 0.00 H new ATOM 0 HE1 MET A 51 11.281 25.493 -0.172 1.00 0.00 H new ATOM 0 HE2 MET A 51 10.196 24.318 0.609 1.00 0.00 H new ATOM 0 HE3 MET A 51 10.074 24.614 -1.141 1.00 0.00 H new ATOM 850 N VAL A 52 10.704 22.293 1.914 1.00 0.00 N ATOM 851 CA VAL A 52 12.098 21.894 1.759 1.00 0.00 C ATOM 852 C VAL A 52 12.780 22.695 0.656 1.00 0.00 C ATOM 853 O VAL A 52 12.119 23.244 -0.226 1.00 0.00 O ATOM 854 CB VAL A 52 12.219 20.392 1.438 1.00 0.00 C ATOM 855 CG1 VAL A 52 13.596 20.077 0.873 1.00 0.00 C ATOM 856 CG2 VAL A 52 11.939 19.558 2.679 1.00 0.00 C ATOM 0 H VAL A 52 10.038 21.699 1.420 1.00 0.00 H new ATOM 0 HA VAL A 52 12.593 22.096 2.709 1.00 0.00 H new ATOM 0 HB VAL A 52 11.475 20.138 0.683 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.664 19.012 0.652 1.00 0.00 H new ATOM 0 HG12 VAL A 52 13.753 20.648 -0.042 1.00 0.00 H new ATOM 0 HG13 VAL A 52 14.359 20.345 1.604 1.00 0.00 H new ATOM 0 HG21 VAL A 52 12.029 18.500 2.434 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.658 19.812 3.458 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.930 19.763 3.035 1.00 0.00 H new ATOM 866 N TYR A 53 14.105 22.758 0.712 1.00 0.00 N ATOM 867 CA TYR A 53 14.878 23.495 -0.281 1.00 0.00 C ATOM 868 C TYR A 53 15.966 22.614 -0.887 1.00 0.00 C ATOM 869 O TYR A 53 16.744 21.985 -0.168 1.00 0.00 O ATOM 870 CB TYR A 53 15.506 24.739 0.350 1.00 0.00 C ATOM 871 CG TYR A 53 14.685 25.994 0.159 1.00 0.00 C ATOM 872 CD1 TYR A 53 14.300 26.409 -1.110 1.00 0.00 C ATOM 873 CD2 TYR A 53 14.295 26.765 1.247 1.00 0.00 C ATOM 874 CE1 TYR A 53 13.551 27.556 -1.289 1.00 0.00 C ATOM 875 CE2 TYR A 53 13.545 27.912 1.077 1.00 0.00 C ATOM 876 CZ TYR A 53 13.176 28.304 -0.192 1.00 0.00 C ATOM 877 OH TYR A 53 12.428 29.446 -0.367 1.00 0.00 O ATOM 0 H TYR A 53 14.667 22.308 1.434 1.00 0.00 H new ATOM 0 HA TYR A 53 14.200 23.803 -1.077 1.00 0.00 H new ATOM 0 HB2 TYR A 53 15.645 24.564 1.417 1.00 0.00 H new ATOM 0 HB3 TYR A 53 16.496 24.894 -0.079 1.00 0.00 H new ATOM 0 HD1 TYR A 53 14.591 25.825 -1.971 1.00 0.00 H new ATOM 0 HD2 TYR A 53 14.583 26.462 2.243 1.00 0.00 H new ATOM 0 HE1 TYR A 53 13.261 27.865 -2.282 1.00 0.00 H new ATOM 0 HE2 TYR A 53 13.249 28.499 1.934 1.00 0.00 H new ATOM 0 HH TYR A 53 12.247 29.855 0.505 1.00 0.00 H new ATOM 887 N CYS A 54 16.015 22.574 -2.214 1.00 0.00 N ATOM 888 CA CYS A 54 17.008 21.770 -2.919 1.00 0.00 C ATOM 889 C CYS A 54 18.164 22.638 -3.405 1.00 0.00 C ATOM 890 O CYS A 54 19.326 22.243 -3.327 1.00 0.00 O ATOM 891 CB CYS A 54 16.362 21.049 -4.103 1.00 0.00 C ATOM 892 SG CYS A 54 16.421 21.976 -5.654 1.00 0.00 S ATOM 0 H CYS A 54 15.379 23.089 -2.823 1.00 0.00 H new ATOM 0 HA CYS A 54 17.402 21.029 -2.223 1.00 0.00 H new ATOM 0 HB2 CYS A 54 16.860 20.090 -4.246 1.00 0.00 H new ATOM 0 HB3 CYS A 54 15.321 20.834 -3.860 1.00 0.00 H new ATOM 0 HG CYS A 54 16.112 23.219 -5.429 1.00 0.00 H new ATOM 898 N GLY A 55 17.836 23.824 -3.910 1.00 0.00 N ATOM 899 CA GLY A 55 18.857 24.729 -4.404 1.00 0.00 C ATOM 900 C GLY A 55 19.678 24.120 -5.524 1.00 0.00 C ATOM 901 O GLY A 55 19.432 24.387 -6.699 1.00 0.00 O ATOM 0 H GLY A 55 16.881 24.174 -3.986 1.00 0.00 H new ATOM 0 HA2 GLY A 55 18.385 25.645 -4.760 1.00 0.00 H new ATOM 0 HA3 GLY A 55 19.518 25.009 -3.584 1.00 0.00 H new ATOM 905 N GLY A 56 20.659 23.300 -5.158 1.00 0.00 N ATOM 906 CA GLY A 56 21.506 22.667 -6.152 1.00 0.00 C ATOM 907 C GLY A 56 22.191 21.423 -5.622 1.00 0.00 C ATOM 908 O GLY A 56 23.230 21.011 -6.138 1.00 0.00 O ATOM 0 H GLY A 56 20.882 23.063 -4.191 1.00 0.00 H new ATOM 0 HA2 GLY A 56 20.905 22.404 -7.023 1.00 0.00 H new ATOM 0 HA3 GLY A 56 22.260 23.378 -6.488 1.00 0.00 H new ATOM 912 N ASP A 57 21.610 20.824 -4.589 1.00 0.00 N ATOM 913 CA ASP A 57 22.172 19.620 -3.988 1.00 0.00 C ATOM 914 C ASP A 57 21.704 18.373 -4.731 1.00 0.00 C ATOM 915 O ASP A 57 20.924 18.459 -5.680 1.00 0.00 O ATOM 916 CB ASP A 57 21.777 19.528 -2.513 1.00 0.00 C ATOM 917 CG ASP A 57 22.964 19.689 -1.585 1.00 0.00 C ATOM 918 OD1 ASP A 57 23.944 18.930 -1.738 1.00 0.00 O ATOM 919 OD2 ASP A 57 22.913 20.573 -0.704 1.00 0.00 O ATOM 0 H ASP A 57 20.750 21.152 -4.150 1.00 0.00 H new ATOM 0 HA ASP A 57 23.258 19.680 -4.062 1.00 0.00 H new ATOM 0 HB2 ASP A 57 21.038 20.297 -2.289 1.00 0.00 H new ATOM 0 HB3 ASP A 57 21.302 18.565 -2.327 1.00 0.00 H new ATOM 924 N LEU A 58 22.186 17.214 -4.295 1.00 0.00 N ATOM 925 CA LEU A 58 21.818 15.948 -4.919 1.00 0.00 C ATOM 926 C LEU A 58 20.310 15.863 -5.130 1.00 0.00 C ATOM 927 O LEU A 58 19.843 15.534 -6.222 1.00 0.00 O ATOM 928 CB LEU A 58 22.291 14.776 -4.058 1.00 0.00 C ATOM 929 CG LEU A 58 23.745 14.344 -4.252 1.00 0.00 C ATOM 930 CD1 LEU A 58 24.090 14.280 -5.732 1.00 0.00 C ATOM 931 CD2 LEU A 58 24.685 15.294 -3.525 1.00 0.00 C ATOM 0 H LEU A 58 22.833 17.125 -3.511 1.00 0.00 H new ATOM 0 HA LEU A 58 22.306 15.896 -5.892 1.00 0.00 H new ATOM 0 HB2 LEU A 58 22.148 15.040 -3.010 1.00 0.00 H new ATOM 0 HB3 LEU A 58 21.648 13.919 -4.261 1.00 0.00 H new ATOM 0 HG LEU A 58 23.867 13.347 -3.828 1.00 0.00 H new ATOM 0 HD11 LEU A 58 25.129 13.971 -5.850 1.00 0.00 H new ATOM 0 HD12 LEU A 58 23.438 13.560 -6.227 1.00 0.00 H new ATOM 0 HD13 LEU A 58 23.951 15.263 -6.181 1.00 0.00 H new ATOM 0 HD21 LEU A 58 25.715 14.971 -3.674 1.00 0.00 H new ATOM 0 HD22 LEU A 58 24.560 16.302 -3.920 1.00 0.00 H new ATOM 0 HD23 LEU A 58 24.454 15.290 -2.460 1.00 0.00 H new ATOM 943 N LEU A 59 19.553 16.163 -4.081 1.00 0.00 N ATOM 944 CA LEU A 59 18.097 16.123 -4.151 1.00 0.00 C ATOM 945 C LEU A 59 17.576 17.093 -5.207 1.00 0.00 C ATOM 946 O LEU A 59 16.608 16.801 -5.909 1.00 0.00 O ATOM 947 CB LEU A 59 17.491 16.462 -2.788 1.00 0.00 C ATOM 948 CG LEU A 59 17.162 17.936 -2.547 1.00 0.00 C ATOM 949 CD1 LEU A 59 16.304 18.095 -1.301 1.00 0.00 C ATOM 950 CD2 LEU A 59 18.438 18.755 -2.427 1.00 0.00 C ATOM 0 H LEU A 59 19.924 16.437 -3.171 1.00 0.00 H new ATOM 0 HA LEU A 59 17.799 15.113 -4.433 1.00 0.00 H new ATOM 0 HB2 LEU A 59 16.577 15.882 -2.665 1.00 0.00 H new ATOM 0 HB3 LEU A 59 18.184 16.134 -2.013 1.00 0.00 H new ATOM 0 HG LEU A 59 16.596 18.306 -3.402 1.00 0.00 H new ATOM 0 HD11 LEU A 59 16.080 19.150 -1.146 1.00 0.00 H new ATOM 0 HD12 LEU A 59 15.374 17.541 -1.427 1.00 0.00 H new ATOM 0 HD13 LEU A 59 16.843 17.707 -0.436 1.00 0.00 H new ATOM 0 HD21 LEU A 59 18.184 19.801 -2.256 1.00 0.00 H new ATOM 0 HD22 LEU A 59 19.031 18.384 -1.591 1.00 0.00 H new ATOM 0 HD23 LEU A 59 19.014 18.668 -3.348 1.00 0.00 H new ATOM 962 N GLY A 60 18.226 18.247 -5.315 1.00 0.00 N ATOM 963 CA GLY A 60 17.815 19.242 -6.290 1.00 0.00 C ATOM 964 C GLY A 60 18.045 18.785 -7.717 1.00 0.00 C ATOM 965 O GLY A 60 17.188 18.970 -8.580 1.00 0.00 O ATOM 0 H GLY A 60 19.030 18.512 -4.745 1.00 0.00 H new ATOM 0 HA2 GLY A 60 16.758 19.468 -6.150 1.00 0.00 H new ATOM 0 HA3 GLY A 60 18.365 20.167 -6.115 1.00 0.00 H new ATOM 969 N GLU A 61 19.207 18.188 -7.965 1.00 0.00 N ATOM 970 CA GLU A 61 19.547 17.706 -9.299 1.00 0.00 C ATOM 971 C GLU A 61 18.671 16.519 -9.689 1.00 0.00 C ATOM 972 O GLU A 61 18.316 16.352 -10.856 1.00 0.00 O ATOM 973 CB GLU A 61 21.023 17.306 -9.359 1.00 0.00 C ATOM 974 CG GLU A 61 21.965 18.371 -8.824 1.00 0.00 C ATOM 975 CD GLU A 61 21.992 19.615 -9.691 1.00 0.00 C ATOM 976 OE1 GLU A 61 22.680 19.598 -10.733 1.00 0.00 O ATOM 977 OE2 GLU A 61 21.323 20.605 -9.327 1.00 0.00 O ATOM 0 H GLU A 61 19.927 18.027 -7.261 1.00 0.00 H new ATOM 0 HA GLU A 61 19.367 18.515 -10.007 1.00 0.00 H new ATOM 0 HB2 GLU A 61 21.165 16.388 -8.789 1.00 0.00 H new ATOM 0 HB3 GLU A 61 21.289 17.084 -10.393 1.00 0.00 H new ATOM 0 HG2 GLU A 61 21.662 18.644 -7.813 1.00 0.00 H new ATOM 0 HG3 GLU A 61 22.972 17.959 -8.755 1.00 0.00 H new ATOM 984 N LEU A 62 18.326 15.698 -8.704 1.00 0.00 N ATOM 985 CA LEU A 62 17.491 14.525 -8.942 1.00 0.00 C ATOM 986 C LEU A 62 16.046 14.932 -9.213 1.00 0.00 C ATOM 987 O LEU A 62 15.378 14.355 -10.073 1.00 0.00 O ATOM 988 CB LEU A 62 17.550 13.580 -7.742 1.00 0.00 C ATOM 989 CG LEU A 62 18.293 12.262 -7.961 1.00 0.00 C ATOM 990 CD1 LEU A 62 17.726 11.523 -9.164 1.00 0.00 C ATOM 991 CD2 LEU A 62 19.783 12.513 -8.141 1.00 0.00 C ATOM 0 H LEU A 62 18.611 15.822 -7.733 1.00 0.00 H new ATOM 0 HA LEU A 62 17.875 14.009 -9.822 1.00 0.00 H new ATOM 0 HB2 LEU A 62 18.023 14.107 -6.913 1.00 0.00 H new ATOM 0 HB3 LEU A 62 16.530 13.352 -7.434 1.00 0.00 H new ATOM 0 HG LEU A 62 18.154 11.638 -7.078 1.00 0.00 H new ATOM 0 HD11 LEU A 62 18.267 10.587 -9.304 1.00 0.00 H new ATOM 0 HD12 LEU A 62 16.670 11.310 -8.996 1.00 0.00 H new ATOM 0 HD13 LEU A 62 17.834 12.142 -10.055 1.00 0.00 H new ATOM 0 HD21 LEU A 62 20.296 11.564 -8.296 1.00 0.00 H new ATOM 0 HD22 LEU A 62 19.942 13.156 -9.006 1.00 0.00 H new ATOM 0 HD23 LEU A 62 20.180 12.999 -7.250 1.00 0.00 H new ATOM 1003 N LEU A 63 15.569 15.930 -8.477 1.00 0.00 N ATOM 1004 CA LEU A 63 14.204 16.416 -8.639 1.00 0.00 C ATOM 1005 C LEU A 63 14.112 17.406 -9.795 1.00 0.00 C ATOM 1006 O LEU A 63 13.032 17.651 -10.332 1.00 0.00 O ATOM 1007 CB LEU A 63 13.720 17.077 -7.347 1.00 0.00 C ATOM 1008 CG LEU A 63 12.577 16.368 -6.618 1.00 0.00 C ATOM 1009 CD1 LEU A 63 12.604 16.700 -5.134 1.00 0.00 C ATOM 1010 CD2 LEU A 63 11.237 16.752 -7.227 1.00 0.00 C ATOM 0 H LEU A 63 16.108 16.418 -7.762 1.00 0.00 H new ATOM 0 HA LEU A 63 13.565 15.562 -8.864 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.566 17.157 -6.664 1.00 0.00 H new ATOM 0 HB3 LEU A 63 13.401 18.093 -7.579 1.00 0.00 H new ATOM 0 HG LEU A 63 12.711 15.292 -6.732 1.00 0.00 H new ATOM 0 HD11 LEU A 63 11.784 16.187 -4.631 1.00 0.00 H new ATOM 0 HD12 LEU A 63 13.552 16.375 -4.706 1.00 0.00 H new ATOM 0 HD13 LEU A 63 12.495 17.776 -5.000 1.00 0.00 H new ATOM 0 HD21 LEU A 63 10.435 16.238 -6.696 1.00 0.00 H new ATOM 0 HD22 LEU A 63 11.095 17.830 -7.144 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.219 16.464 -8.278 1.00 0.00 H new ATOM 1022 N GLY A 64 15.253 17.972 -10.175 1.00 0.00 N ATOM 1023 CA GLY A 64 15.280 18.928 -11.267 1.00 0.00 C ATOM 1024 C GLY A 64 14.495 20.186 -10.956 1.00 0.00 C ATOM 1025 O GLY A 64 14.258 21.012 -11.837 1.00 0.00 O ATOM 0 H GLY A 64 16.160 17.786 -9.746 1.00 0.00 H new ATOM 0 HA2 GLY A 64 16.314 19.194 -11.487 1.00 0.00 H new ATOM 0 HA3 GLY A 64 14.873 18.462 -12.164 1.00 0.00 H new ATOM 1029 N ARG A 65 14.088 20.332 -9.699 1.00 0.00 N ATOM 1030 CA ARG A 65 13.322 21.498 -9.274 1.00 0.00 C ATOM 1031 C ARG A 65 14.165 22.409 -8.386 1.00 0.00 C ATOM 1032 O ARG A 65 15.371 22.209 -8.244 1.00 0.00 O ATOM 1033 CB ARG A 65 12.062 21.061 -8.524 1.00 0.00 C ATOM 1034 CG ARG A 65 11.322 19.914 -9.193 1.00 0.00 C ATOM 1035 CD ARG A 65 11.172 20.145 -10.689 1.00 0.00 C ATOM 1036 NE ARG A 65 10.781 18.928 -11.394 1.00 0.00 N ATOM 1037 CZ ARG A 65 10.212 18.924 -12.595 1.00 0.00 C ATOM 1038 NH1 ARG A 65 9.970 20.068 -13.220 1.00 0.00 N ATOM 1039 NH2 ARG A 65 9.885 17.775 -13.172 1.00 0.00 N ATOM 0 H ARG A 65 14.276 19.658 -8.957 1.00 0.00 H new ATOM 0 HA ARG A 65 13.032 22.055 -10.165 1.00 0.00 H new ATOM 0 HB2 ARG A 65 12.337 20.764 -7.512 1.00 0.00 H new ATOM 0 HB3 ARG A 65 11.389 21.913 -8.434 1.00 0.00 H new ATOM 0 HG2 ARG A 65 11.860 18.982 -9.020 1.00 0.00 H new ATOM 0 HG3 ARG A 65 10.337 19.802 -8.740 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.426 20.920 -10.863 1.00 0.00 H new ATOM 0 HD3 ARG A 65 12.114 20.512 -11.095 1.00 0.00 H new ATOM 0 HE ARG A 65 10.954 18.031 -10.940 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.221 20.953 -12.779 1.00 0.00 H new ATOM 0 HH12 ARG A 65 9.533 20.063 -14.142 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.070 16.893 -12.694 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.448 17.773 -14.094 1.00 0.00 H new ATOM 1053 N GLN A 66 13.521 23.408 -7.793 1.00 0.00 N ATOM 1054 CA GLN A 66 14.213 24.350 -6.921 1.00 0.00 C ATOM 1055 C GLN A 66 13.908 24.059 -5.455 1.00 0.00 C ATOM 1056 O GLN A 66 14.811 24.020 -4.619 1.00 0.00 O ATOM 1057 CB GLN A 66 13.808 25.786 -7.262 1.00 0.00 C ATOM 1058 CG GLN A 66 12.420 25.898 -7.872 1.00 0.00 C ATOM 1059 CD GLN A 66 12.392 25.502 -9.335 1.00 0.00 C ATOM 1060 OE1 GLN A 66 11.892 24.435 -9.692 1.00 0.00 O ATOM 1061 NE2 GLN A 66 12.930 26.362 -10.192 1.00 0.00 N ATOM 0 H GLN A 66 12.522 23.586 -7.900 1.00 0.00 H new ATOM 0 HA GLN A 66 15.285 24.234 -7.081 1.00 0.00 H new ATOM 0 HB2 GLN A 66 13.848 26.391 -6.356 1.00 0.00 H new ATOM 0 HB3 GLN A 66 14.536 26.205 -7.957 1.00 0.00 H new ATOM 0 HG2 GLN A 66 11.730 25.264 -7.315 1.00 0.00 H new ATOM 0 HG3 GLN A 66 12.064 26.923 -7.770 1.00 0.00 H new ATOM 0 HE21 GLN A 66 13.334 27.235 -9.853 1.00 0.00 H new ATOM 0 HE22 GLN A 66 12.940 26.149 -11.190 1.00 0.00 H new ATOM 1070 N SER A 67 12.631 23.855 -5.150 1.00 0.00 N ATOM 1071 CA SER A 67 12.207 23.571 -3.784 1.00 0.00 C ATOM 1072 C SER A 67 10.866 22.844 -3.771 1.00 0.00 C ATOM 1073 O SER A 67 9.975 23.146 -4.566 1.00 0.00 O ATOM 1074 CB SER A 67 12.104 24.868 -2.979 1.00 0.00 C ATOM 1075 OG SER A 67 10.904 25.559 -3.277 1.00 0.00 O ATOM 0 H SER A 67 11.872 23.881 -5.830 1.00 0.00 H new ATOM 0 HA SER A 67 12.955 22.925 -3.325 1.00 0.00 H new ATOM 0 HB2 SER A 67 12.142 24.642 -1.913 1.00 0.00 H new ATOM 0 HB3 SER A 67 12.959 25.506 -3.201 1.00 0.00 H new ATOM 0 HG SER A 67 10.933 26.452 -2.875 1.00 0.00 H new ATOM 1081 N PHE A 68 10.729 21.883 -2.863 1.00 0.00 N ATOM 1082 CA PHE A 68 9.497 21.111 -2.747 1.00 0.00 C ATOM 1083 C PHE A 68 8.979 21.128 -1.312 1.00 0.00 C ATOM 1084 O PHE A 68 9.756 21.194 -0.360 1.00 0.00 O ATOM 1085 CB PHE A 68 9.730 19.668 -3.199 1.00 0.00 C ATOM 1086 CG PHE A 68 10.856 18.987 -2.475 1.00 0.00 C ATOM 1087 CD1 PHE A 68 10.626 18.314 -1.286 1.00 0.00 C ATOM 1088 CD2 PHE A 68 12.145 19.020 -2.982 1.00 0.00 C ATOM 1089 CE1 PHE A 68 11.659 17.685 -0.617 1.00 0.00 C ATOM 1090 CE2 PHE A 68 13.182 18.394 -2.318 1.00 0.00 C ATOM 1091 CZ PHE A 68 12.940 17.726 -1.133 1.00 0.00 C ATOM 0 H PHE A 68 11.456 21.620 -2.197 1.00 0.00 H new ATOM 0 HA PHE A 68 8.748 21.570 -3.392 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.814 19.096 -3.049 1.00 0.00 H new ATOM 0 HB3 PHE A 68 9.939 19.660 -4.269 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.627 18.280 -0.877 1.00 0.00 H new ATOM 0 HD2 PHE A 68 12.341 19.541 -3.907 1.00 0.00 H new ATOM 0 HE1 PHE A 68 11.465 17.162 0.308 1.00 0.00 H new ATOM 0 HE2 PHE A 68 14.182 18.427 -2.725 1.00 0.00 H new ATOM 0 HZ PHE A 68 13.750 17.237 -0.612 1.00 0.00 H new ATOM 1101 N SER A 69 7.659 21.070 -1.165 1.00 0.00 N ATOM 1102 CA SER A 69 7.034 21.084 0.152 1.00 0.00 C ATOM 1103 C SER A 69 6.842 19.664 0.677 1.00 0.00 C ATOM 1104 O SER A 69 6.515 18.749 -0.079 1.00 0.00 O ATOM 1105 CB SER A 69 5.686 21.805 0.094 1.00 0.00 C ATOM 1106 OG SER A 69 5.786 23.014 -0.638 1.00 0.00 O ATOM 0 H SER A 69 7.002 21.013 -1.943 1.00 0.00 H new ATOM 0 HA SER A 69 7.694 21.619 0.834 1.00 0.00 H new ATOM 0 HB2 SER A 69 4.943 21.156 -0.369 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.339 22.016 1.106 1.00 0.00 H new ATOM 0 HG SER A 69 4.911 23.455 -0.662 1.00 0.00 H new ATOM 1112 N VAL A 70 7.048 19.488 1.978 1.00 0.00 N ATOM 1113 CA VAL A 70 6.897 18.181 2.606 1.00 0.00 C ATOM 1114 C VAL A 70 5.426 17.844 2.828 1.00 0.00 C ATOM 1115 O VAL A 70 5.023 16.685 2.738 1.00 0.00 O ATOM 1116 CB VAL A 70 7.636 18.118 3.956 1.00 0.00 C ATOM 1117 CG1 VAL A 70 8.690 19.210 4.039 1.00 0.00 C ATOM 1118 CG2 VAL A 70 6.649 18.229 5.109 1.00 0.00 C ATOM 0 H VAL A 70 7.320 20.234 2.618 1.00 0.00 H new ATOM 0 HA VAL A 70 7.335 17.451 1.926 1.00 0.00 H new ATOM 0 HB VAL A 70 8.140 17.154 4.030 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.202 19.150 5.000 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.413 19.080 3.234 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.212 20.185 3.943 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.188 18.183 6.055 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.116 19.177 5.041 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.935 17.407 5.057 1.00 0.00 H new ATOM 1128 N LYS A 71 4.629 18.867 3.117 1.00 0.00 N ATOM 1129 CA LYS A 71 3.201 18.682 3.350 1.00 0.00 C ATOM 1130 C LYS A 71 2.485 18.292 2.061 1.00 0.00 C ATOM 1131 O LYS A 71 1.396 17.718 2.093 1.00 0.00 O ATOM 1132 CB LYS A 71 2.586 19.962 3.920 1.00 0.00 C ATOM 1133 CG LYS A 71 1.276 19.734 4.653 1.00 0.00 C ATOM 1134 CD LYS A 71 1.450 19.856 6.158 1.00 0.00 C ATOM 1135 CE LYS A 71 1.934 21.243 6.552 1.00 0.00 C ATOM 1136 NZ LYS A 71 1.676 21.532 7.990 1.00 0.00 N ATOM 0 H LYS A 71 4.947 19.833 3.196 1.00 0.00 H new ATOM 0 HA LYS A 71 3.078 17.874 4.072 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.299 20.425 4.603 1.00 0.00 H new ATOM 0 HB3 LYS A 71 2.419 20.668 3.107 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.536 20.458 4.312 1.00 0.00 H new ATOM 0 HG3 LYS A 71 0.889 18.744 4.410 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.502 19.646 6.653 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.163 19.108 6.505 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.002 21.326 6.351 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.435 21.991 5.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 1.100 22.394 8.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.167 20.733 8.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.581 21.671 8.484 1.00 0.00 H new ATOM 1150 N ASP A 72 3.104 18.605 0.928 1.00 0.00 N ATOM 1151 CA ASP A 72 2.527 18.284 -0.372 1.00 0.00 C ATOM 1152 C ASP A 72 3.336 17.196 -1.072 1.00 0.00 C ATOM 1153 O ASP A 72 4.303 17.468 -1.784 1.00 0.00 O ATOM 1154 CB ASP A 72 2.467 19.536 -1.250 1.00 0.00 C ATOM 1155 CG ASP A 72 1.699 19.304 -2.536 1.00 0.00 C ATOM 1156 OD1 ASP A 72 1.541 18.130 -2.929 1.00 0.00 O ATOM 1157 OD2 ASP A 72 1.258 20.298 -3.151 1.00 0.00 O ATOM 0 H ASP A 72 4.005 19.081 0.884 1.00 0.00 H new ATOM 0 HA ASP A 72 1.515 17.913 -0.211 1.00 0.00 H new ATOM 0 HB2 ASP A 72 1.998 20.346 -0.691 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.481 19.858 -1.488 1.00 0.00 H new ATOM 1162 N PRO A 73 2.933 15.934 -0.866 1.00 0.00 N ATOM 1163 CA PRO A 73 3.606 14.779 -1.468 1.00 0.00 C ATOM 1164 C PRO A 73 3.392 14.704 -2.975 1.00 0.00 C ATOM 1165 O PRO A 73 2.938 13.686 -3.498 1.00 0.00 O ATOM 1166 CB PRO A 73 2.948 13.584 -0.774 1.00 0.00 C ATOM 1167 CG PRO A 73 1.607 14.079 -0.355 1.00 0.00 C ATOM 1168 CD PRO A 73 1.788 15.536 -0.029 1.00 0.00 C ATOM 0 HA PRO A 73 4.687 14.823 -1.337 1.00 0.00 H new ATOM 0 HB2 PRO A 73 2.862 12.732 -1.449 1.00 0.00 H new ATOM 0 HB3 PRO A 73 3.533 13.253 0.084 1.00 0.00 H new ATOM 0 HG2 PRO A 73 0.875 13.945 -1.151 1.00 0.00 H new ATOM 0 HG3 PRO A 73 1.240 13.528 0.511 1.00 0.00 H new ATOM 0 HD2 PRO A 73 0.896 16.115 -0.267 1.00 0.00 H new ATOM 0 HD3 PRO A 73 1.993 15.688 1.031 1.00 0.00 H new ATOM 1176 N SER A 74 3.721 15.789 -3.670 1.00 0.00 N ATOM 1177 CA SER A 74 3.561 15.847 -5.118 1.00 0.00 C ATOM 1178 C SER A 74 4.875 15.522 -5.823 1.00 0.00 C ATOM 1179 O SER A 74 5.025 14.479 -6.461 1.00 0.00 O ATOM 1180 CB SER A 74 3.070 17.232 -5.543 1.00 0.00 C ATOM 1181 OG SER A 74 1.674 17.226 -5.784 1.00 0.00 O ATOM 0 H SER A 74 4.100 16.639 -3.253 1.00 0.00 H new ATOM 0 HA SER A 74 2.820 15.102 -5.407 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.305 17.959 -4.766 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.596 17.547 -6.444 1.00 0.00 H new ATOM 0 HG SER A 74 1.201 17.503 -4.972 1.00 0.00 H new ATOM 1187 N PRO A 75 5.849 16.436 -5.707 1.00 0.00 N ATOM 1188 CA PRO A 75 7.168 16.270 -6.325 1.00 0.00 C ATOM 1189 C PRO A 75 7.986 15.169 -5.659 1.00 0.00 C ATOM 1190 O PRO A 75 8.846 14.552 -6.290 1.00 0.00 O ATOM 1191 CB PRO A 75 7.833 17.632 -6.114 1.00 0.00 C ATOM 1192 CG PRO A 75 7.157 18.202 -4.915 1.00 0.00 C ATOM 1193 CD PRO A 75 5.739 17.701 -4.962 1.00 0.00 C ATOM 0 HA PRO A 75 7.093 15.975 -7.372 1.00 0.00 H new ATOM 0 HB2 PRO A 75 8.906 17.528 -5.952 1.00 0.00 H new ATOM 0 HB3 PRO A 75 7.703 18.275 -6.985 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.653 17.883 -3.999 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.187 19.291 -4.931 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.335 17.545 -3.962 1.00 0.00 H new ATOM 0 HD3 PRO A 75 5.079 18.408 -5.465 1.00 0.00 H new ATOM 1201 N LEU A 76 7.714 14.927 -4.381 1.00 0.00 N ATOM 1202 CA LEU A 76 8.425 13.899 -3.629 1.00 0.00 C ATOM 1203 C LEU A 76 8.237 12.527 -4.270 1.00 0.00 C ATOM 1204 O LEU A 76 9.209 11.846 -4.598 1.00 0.00 O ATOM 1205 CB LEU A 76 7.936 13.869 -2.180 1.00 0.00 C ATOM 1206 CG LEU A 76 8.734 12.986 -1.220 1.00 0.00 C ATOM 1207 CD1 LEU A 76 10.044 13.659 -0.840 1.00 0.00 C ATOM 1208 CD2 LEU A 76 7.914 12.672 0.022 1.00 0.00 C ATOM 0 H LEU A 76 7.006 15.429 -3.844 1.00 0.00 H new ATOM 0 HA LEU A 76 9.487 14.143 -3.642 1.00 0.00 H new ATOM 0 HB2 LEU A 76 7.942 14.888 -1.794 1.00 0.00 H new ATOM 0 HB3 LEU A 76 6.899 13.533 -2.174 1.00 0.00 H new ATOM 0 HG LEU A 76 8.964 12.048 -1.726 1.00 0.00 H new ATOM 0 HD11 LEU A 76 10.598 13.016 -0.156 1.00 0.00 H new ATOM 0 HD12 LEU A 76 10.638 13.832 -1.737 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.836 14.612 -0.353 1.00 0.00 H new ATOM 0 HD21 LEU A 76 8.498 12.043 0.694 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.653 13.600 0.530 1.00 0.00 H new ATOM 0 HD23 LEU A 76 7.003 12.148 -0.266 1.00 0.00 H new ATOM 1220 N TYR A 77 6.982 12.130 -4.447 1.00 0.00 N ATOM 1221 CA TYR A 77 6.667 10.839 -5.048 1.00 0.00 C ATOM 1222 C TYR A 77 7.042 10.821 -6.527 1.00 0.00 C ATOM 1223 O TYR A 77 7.607 9.846 -7.023 1.00 0.00 O ATOM 1224 CB TYR A 77 5.178 10.527 -4.885 1.00 0.00 C ATOM 1225 CG TYR A 77 4.812 10.031 -3.504 1.00 0.00 C ATOM 1226 CD1 TYR A 77 5.072 8.721 -3.123 1.00 0.00 C ATOM 1227 CD2 TYR A 77 4.205 10.874 -2.580 1.00 0.00 C ATOM 1228 CE1 TYR A 77 4.738 8.263 -1.863 1.00 0.00 C ATOM 1229 CE2 TYR A 77 3.869 10.425 -1.318 1.00 0.00 C ATOM 1230 CZ TYR A 77 4.137 9.119 -0.964 1.00 0.00 C ATOM 1231 OH TYR A 77 3.804 8.668 0.292 1.00 0.00 O ATOM 0 H TYR A 77 6.167 12.683 -4.183 1.00 0.00 H new ATOM 0 HA TYR A 77 7.250 10.075 -4.534 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.601 11.425 -5.104 1.00 0.00 H new ATOM 0 HB3 TYR A 77 4.890 9.776 -5.620 1.00 0.00 H new ATOM 0 HD1 TYR A 77 5.544 8.048 -3.824 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.993 11.897 -2.854 1.00 0.00 H new ATOM 0 HE1 TYR A 77 4.946 7.241 -1.584 1.00 0.00 H new ATOM 0 HE2 TYR A 77 3.399 11.093 -0.612 1.00 0.00 H new ATOM 0 HH TYR A 77 4.586 8.249 0.707 1.00 0.00 H new ATOM 1241 N ASP A 78 6.726 11.906 -7.224 1.00 0.00 N ATOM 1242 CA ASP A 78 7.031 12.017 -8.646 1.00 0.00 C ATOM 1243 C ASP A 78 8.516 11.785 -8.902 1.00 0.00 C ATOM 1244 O ASP A 78 8.894 11.143 -9.882 1.00 0.00 O ATOM 1245 CB ASP A 78 6.618 13.393 -9.171 1.00 0.00 C ATOM 1246 CG ASP A 78 6.134 13.343 -10.607 1.00 0.00 C ATOM 1247 OD1 ASP A 78 5.355 12.425 -10.938 1.00 0.00 O ATOM 1248 OD2 ASP A 78 6.534 14.221 -11.400 1.00 0.00 O ATOM 0 H ASP A 78 6.259 12.722 -6.828 1.00 0.00 H new ATOM 0 HA ASP A 78 6.466 11.250 -9.176 1.00 0.00 H new ATOM 0 HB2 ASP A 78 5.828 13.798 -8.538 1.00 0.00 H new ATOM 0 HB3 ASP A 78 7.465 14.075 -9.100 1.00 0.00 H new ATOM 1253 N MET A 79 9.354 12.314 -8.017 1.00 0.00 N ATOM 1254 CA MET A 79 10.799 12.164 -8.148 1.00 0.00 C ATOM 1255 C MET A 79 11.232 10.743 -7.800 1.00 0.00 C ATOM 1256 O MET A 79 11.963 10.103 -8.557 1.00 0.00 O ATOM 1257 CB MET A 79 11.521 13.165 -7.244 1.00 0.00 C ATOM 1258 CG MET A 79 13.030 12.981 -7.217 1.00 0.00 C ATOM 1259 SD MET A 79 13.728 13.208 -5.570 1.00 0.00 S ATOM 1260 CE MET A 79 12.659 12.147 -4.601 1.00 0.00 C ATOM 0 H MET A 79 9.058 12.850 -7.201 1.00 0.00 H new ATOM 0 HA MET A 79 11.067 12.363 -9.186 1.00 0.00 H new ATOM 0 HB2 MET A 79 11.292 14.176 -7.580 1.00 0.00 H new ATOM 0 HB3 MET A 79 11.134 13.071 -6.230 1.00 0.00 H new ATOM 0 HG2 MET A 79 13.277 11.982 -7.578 1.00 0.00 H new ATOM 0 HG3 MET A 79 13.491 13.691 -7.904 1.00 0.00 H new ATOM 0 HE1 MET A 79 13.165 11.866 -3.677 1.00 0.00 H new ATOM 0 HE2 MET A 79 11.738 12.679 -4.363 1.00 0.00 H new ATOM 0 HE3 MET A 79 12.422 11.249 -5.172 1.00 0.00 H new ATOM 1270 N LEU A 80 10.777 10.255 -6.651 1.00 0.00 N ATOM 1271 CA LEU A 80 11.118 8.910 -6.203 1.00 0.00 C ATOM 1272 C LEU A 80 10.739 7.873 -7.255 1.00 0.00 C ATOM 1273 O LEU A 80 11.470 6.908 -7.482 1.00 0.00 O ATOM 1274 CB LEU A 80 10.410 8.596 -4.884 1.00 0.00 C ATOM 1275 CG LEU A 80 10.827 9.442 -3.680 1.00 0.00 C ATOM 1276 CD1 LEU A 80 9.865 9.231 -2.521 1.00 0.00 C ATOM 1277 CD2 LEU A 80 12.251 9.108 -3.262 1.00 0.00 C ATOM 0 H LEU A 80 10.171 10.771 -6.013 1.00 0.00 H new ATOM 0 HA LEU A 80 12.196 8.868 -6.049 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.337 8.716 -5.033 1.00 0.00 H new ATOM 0 HB3 LEU A 80 10.583 7.547 -4.643 1.00 0.00 H new ATOM 0 HG LEU A 80 10.791 10.493 -3.968 1.00 0.00 H new ATOM 0 HD11 LEU A 80 10.177 9.841 -1.673 1.00 0.00 H new ATOM 0 HD12 LEU A 80 8.859 9.521 -2.825 1.00 0.00 H new ATOM 0 HD13 LEU A 80 9.868 8.180 -2.232 1.00 0.00 H new ATOM 0 HD21 LEU A 80 12.531 9.719 -2.404 1.00 0.00 H new ATOM 0 HD22 LEU A 80 12.313 8.054 -2.992 1.00 0.00 H new ATOM 0 HD23 LEU A 80 12.930 9.311 -4.090 1.00 0.00 H new ATOM 1289 N ARG A 81 9.594 8.080 -7.897 1.00 0.00 N ATOM 1290 CA ARG A 81 9.119 7.164 -8.927 1.00 0.00 C ATOM 1291 C ARG A 81 10.285 6.604 -9.736 1.00 0.00 C ATOM 1292 O ARG A 81 10.465 5.389 -9.829 1.00 0.00 O ATOM 1293 CB ARG A 81 8.134 7.874 -9.857 1.00 0.00 C ATOM 1294 CG ARG A 81 7.046 6.964 -10.403 1.00 0.00 C ATOM 1295 CD ARG A 81 6.722 7.290 -11.852 1.00 0.00 C ATOM 1296 NE ARG A 81 5.332 7.707 -12.022 1.00 0.00 N ATOM 1297 CZ ARG A 81 4.293 6.921 -11.765 1.00 0.00 C ATOM 1298 NH1 ARG A 81 4.484 5.683 -11.329 1.00 0.00 N ATOM 1299 NH2 ARG A 81 3.058 7.373 -11.944 1.00 0.00 N ATOM 0 H ARG A 81 8.978 8.874 -7.722 1.00 0.00 H new ATOM 0 HA ARG A 81 8.610 6.336 -8.434 1.00 0.00 H new ATOM 0 HB2 ARG A 81 7.669 8.699 -9.318 1.00 0.00 H new ATOM 0 HB3 ARG A 81 8.684 8.309 -10.691 1.00 0.00 H new ATOM 0 HG2 ARG A 81 7.367 5.925 -10.326 1.00 0.00 H new ATOM 0 HG3 ARG A 81 6.146 7.066 -9.796 1.00 0.00 H new ATOM 0 HD2 ARG A 81 7.384 8.083 -12.202 1.00 0.00 H new ATOM 0 HD3 ARG A 81 6.916 6.415 -12.473 1.00 0.00 H new ATOM 0 HE ARG A 81 5.150 8.653 -12.356 1.00 0.00 H new ATOM 0 HH11 ARG A 81 5.431 5.332 -11.190 1.00 0.00 H new ATOM 0 HH12 ARG A 81 3.683 5.082 -11.133 1.00 0.00 H new ATOM 0 HH21 ARG A 81 2.907 8.324 -12.279 1.00 0.00 H new ATOM 0 HH22 ARG A 81 2.260 6.769 -11.746 1.00 0.00 H new ATOM 1313 N LYS A 82 11.076 7.497 -10.322 1.00 0.00 N ATOM 1314 CA LYS A 82 12.225 7.094 -11.123 1.00 0.00 C ATOM 1315 C LYS A 82 13.530 7.414 -10.401 1.00 0.00 C ATOM 1316 O LYS A 82 14.615 7.124 -10.904 1.00 0.00 O ATOM 1317 CB LYS A 82 12.197 7.795 -12.483 1.00 0.00 C ATOM 1318 CG LYS A 82 13.085 9.025 -12.552 1.00 0.00 C ATOM 1319 CD LYS A 82 12.615 10.107 -11.595 1.00 0.00 C ATOM 1320 CE LYS A 82 11.205 10.571 -11.927 1.00 0.00 C ATOM 1321 NZ LYS A 82 10.964 11.972 -11.487 1.00 0.00 N ATOM 0 H LYS A 82 10.941 8.506 -10.257 1.00 0.00 H new ATOM 0 HA LYS A 82 12.169 6.016 -11.276 1.00 0.00 H new ATOM 0 HB2 LYS A 82 12.508 7.089 -13.253 1.00 0.00 H new ATOM 0 HB3 LYS A 82 11.171 8.084 -12.712 1.00 0.00 H new ATOM 0 HG2 LYS A 82 14.112 8.747 -12.313 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.089 9.415 -13.570 1.00 0.00 H new ATOM 0 HD2 LYS A 82 12.643 9.728 -10.573 1.00 0.00 H new ATOM 0 HD3 LYS A 82 13.298 10.955 -11.639 1.00 0.00 H new ATOM 0 HE2 LYS A 82 11.041 10.495 -13.002 1.00 0.00 H new ATOM 0 HE3 LYS A 82 10.483 9.910 -11.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.107 12.009 -10.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 11.779 12.307 -10.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 10.837 12.581 -12.321 1.00 0.00 H new ATOM 1335 N ASN A 83 13.417 8.012 -9.220 1.00 0.00 N ATOM 1336 CA ASN A 83 14.589 8.371 -8.429 1.00 0.00 C ATOM 1337 C ASN A 83 14.894 7.295 -7.391 1.00 0.00 C ATOM 1338 O ASN A 83 16.029 6.831 -7.276 1.00 0.00 O ATOM 1339 CB ASN A 83 14.370 9.717 -7.736 1.00 0.00 C ATOM 1340 CG ASN A 83 15.562 10.138 -6.900 1.00 0.00 C ATOM 1341 OD1 ASN A 83 16.711 9.997 -7.321 1.00 0.00 O ATOM 1342 ND2 ASN A 83 15.295 10.657 -5.707 1.00 0.00 N ATOM 0 H ASN A 83 12.526 8.258 -8.789 1.00 0.00 H new ATOM 0 HA ASN A 83 15.441 8.452 -9.104 1.00 0.00 H new ATOM 0 HB2 ASN A 83 14.169 10.481 -8.487 1.00 0.00 H new ATOM 0 HB3 ASN A 83 13.487 9.655 -7.100 1.00 0.00 H new ATOM 0 HD21 ASN A 83 16.057 10.957 -5.099 1.00 0.00 H new ATOM 0 HD22 ASN A 83 14.328 10.755 -5.399 1.00 0.00 H new ATOM 1349 N LEU A 84 13.873 6.903 -6.636 1.00 0.00 N ATOM 1350 CA LEU A 84 14.031 5.882 -5.607 1.00 0.00 C ATOM 1351 C LEU A 84 13.780 4.490 -6.178 1.00 0.00 C ATOM 1352 O LEU A 84 12.638 4.110 -6.438 1.00 0.00 O ATOM 1353 CB LEU A 84 13.073 6.148 -4.444 1.00 0.00 C ATOM 1354 CG LEU A 84 13.673 6.046 -3.042 1.00 0.00 C ATOM 1355 CD1 LEU A 84 14.378 4.711 -2.859 1.00 0.00 C ATOM 1356 CD2 LEU A 84 14.635 7.198 -2.789 1.00 0.00 C ATOM 0 H LEU A 84 12.928 7.277 -6.717 1.00 0.00 H new ATOM 0 HA LEU A 84 15.057 5.926 -5.242 1.00 0.00 H new ATOM 0 HB2 LEU A 84 12.654 7.147 -4.566 1.00 0.00 H new ATOM 0 HB3 LEU A 84 12.244 5.444 -4.514 1.00 0.00 H new ATOM 0 HG LEU A 84 12.863 6.108 -2.315 1.00 0.00 H new ATOM 0 HD11 LEU A 84 14.799 4.656 -1.855 1.00 0.00 H new ATOM 0 HD12 LEU A 84 13.663 3.900 -2.997 1.00 0.00 H new ATOM 0 HD13 LEU A 84 15.178 4.618 -3.593 1.00 0.00 H new ATOM 0 HD21 LEU A 84 15.053 7.110 -1.786 1.00 0.00 H new ATOM 0 HD22 LEU A 84 15.441 7.167 -3.522 1.00 0.00 H new ATOM 0 HD23 LEU A 84 14.101 8.144 -2.877 1.00 0.00 H new ATOM 1368 N VAL A 85 14.855 3.731 -6.369 1.00 0.00 N ATOM 1369 CA VAL A 85 14.752 2.380 -6.906 1.00 0.00 C ATOM 1370 C VAL A 85 13.516 1.668 -6.368 1.00 0.00 C ATOM 1371 O VAL A 85 13.202 1.756 -5.180 1.00 0.00 O ATOM 1372 CB VAL A 85 16.001 1.545 -6.567 1.00 0.00 C ATOM 1373 CG1 VAL A 85 15.676 0.059 -6.603 1.00 0.00 C ATOM 1374 CG2 VAL A 85 17.137 1.873 -7.524 1.00 0.00 C ATOM 0 H VAL A 85 15.808 4.030 -6.159 1.00 0.00 H new ATOM 0 HA VAL A 85 14.671 2.475 -7.989 1.00 0.00 H new ATOM 0 HB VAL A 85 16.322 1.798 -5.557 1.00 0.00 H new ATOM 0 HG11 VAL A 85 16.570 -0.515 -6.361 1.00 0.00 H new ATOM 0 HG12 VAL A 85 14.896 -0.161 -5.874 1.00 0.00 H new ATOM 0 HG13 VAL A 85 15.329 -0.213 -7.600 1.00 0.00 H new ATOM 0 HG21 VAL A 85 18.011 1.274 -7.270 1.00 0.00 H new ATOM 0 HG22 VAL A 85 16.828 1.649 -8.545 1.00 0.00 H new ATOM 0 HG23 VAL A 85 17.386 2.931 -7.444 1.00 0.00 H new ATOM 1384 N THR A 86 12.817 0.960 -7.249 1.00 0.00 N ATOM 1385 CA THR A 86 11.615 0.232 -6.864 1.00 0.00 C ATOM 1386 C THR A 86 11.595 -1.162 -7.480 1.00 0.00 C ATOM 1387 O THR A 86 11.628 -1.313 -8.702 1.00 0.00 O ATOM 1388 CB THR A 86 10.341 0.987 -7.289 1.00 0.00 C ATOM 1389 OG1 THR A 86 10.464 1.432 -8.644 1.00 0.00 O ATOM 1390 CG2 THR A 86 10.090 2.180 -6.379 1.00 0.00 C ATOM 0 H THR A 86 13.063 0.875 -8.235 1.00 0.00 H new ATOM 0 HA THR A 86 11.632 0.146 -5.778 1.00 0.00 H new ATOM 0 HB THR A 86 9.496 0.303 -7.207 1.00 0.00 H new ATOM 0 HG1 THR A 86 10.884 0.729 -9.182 1.00 0.00 H new ATOM 0 HG21 THR A 86 9.185 2.697 -6.699 1.00 0.00 H new ATOM 0 HG22 THR A 86 9.967 1.835 -5.352 1.00 0.00 H new ATOM 0 HG23 THR A 86 10.937 2.864 -6.433 1.00 0.00 H new ATOM 1398 N LEU A 87 11.539 -2.180 -6.628 1.00 0.00 N ATOM 1399 CA LEU A 87 11.514 -3.563 -7.088 1.00 0.00 C ATOM 1400 C LEU A 87 10.146 -4.193 -6.846 1.00 0.00 C ATOM 1401 O LEU A 87 9.578 -4.070 -5.761 1.00 0.00 O ATOM 1402 CB LEU A 87 12.596 -4.378 -6.378 1.00 0.00 C ATOM 1403 CG LEU A 87 14.008 -3.792 -6.412 1.00 0.00 C ATOM 1404 CD1 LEU A 87 14.285 -2.994 -5.148 1.00 0.00 C ATOM 1405 CD2 LEU A 87 15.040 -4.897 -6.584 1.00 0.00 C ATOM 0 H LEU A 87 11.510 -2.073 -5.614 1.00 0.00 H new ATOM 0 HA LEU A 87 11.711 -3.566 -8.160 1.00 0.00 H new ATOM 0 HB2 LEU A 87 12.302 -4.505 -5.336 1.00 0.00 H new ATOM 0 HB3 LEU A 87 12.626 -5.372 -6.824 1.00 0.00 H new ATOM 0 HG LEU A 87 14.081 -3.118 -7.266 1.00 0.00 H new ATOM 0 HD11 LEU A 87 15.294 -2.585 -5.190 1.00 0.00 H new ATOM 0 HD12 LEU A 87 13.566 -2.179 -5.067 1.00 0.00 H new ATOM 0 HD13 LEU A 87 14.194 -3.646 -4.279 1.00 0.00 H new ATOM 0 HD21 LEU A 87 16.039 -4.462 -6.606 1.00 0.00 H new ATOM 0 HD22 LEU A 87 14.967 -5.596 -5.751 1.00 0.00 H new ATOM 0 HD23 LEU A 87 14.854 -5.426 -7.519 1.00 0.00 H new ATOM 1417 N ALA A 88 9.623 -4.870 -7.863 1.00 0.00 N ATOM 1418 CA ALA A 88 8.324 -5.523 -7.759 1.00 0.00 C ATOM 1419 C ALA A 88 7.241 -4.528 -7.356 1.00 0.00 C ATOM 1420 O ALA A 88 7.147 -4.133 -6.194 1.00 0.00 O ATOM 1421 CB ALA A 88 8.388 -6.670 -6.761 1.00 0.00 C ATOM 0 H ALA A 88 10.079 -4.981 -8.769 1.00 0.00 H new ATOM 0 HA ALA A 88 8.066 -5.924 -8.739 1.00 0.00 H new ATOM 0 HB1 ALA A 88 7.411 -7.149 -6.693 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.127 -7.399 -7.092 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.672 -6.285 -5.782 1.00 0.00 H new ATOM 1427 N THR A 89 6.423 -4.126 -8.324 1.00 0.00 N ATOM 1428 CA THR A 89 5.347 -3.176 -8.071 1.00 0.00 C ATOM 1429 C THR A 89 4.215 -3.826 -7.284 1.00 0.00 C ATOM 1430 O THR A 89 4.479 -4.695 -6.455 1.00 0.00 O ATOM 1431 CB THR A 89 4.782 -2.604 -9.385 1.00 0.00 C ATOM 1432 OG1 THR A 89 5.841 -2.047 -10.172 1.00 0.00 O ATOM 1433 CG2 THR A 89 3.737 -1.535 -9.104 1.00 0.00 C ATOM 0 H THR A 89 6.486 -4.444 -9.291 1.00 0.00 H new ATOM 0 HA THR A 89 5.774 -2.363 -7.484 1.00 0.00 H new ATOM 0 HB THR A 89 4.309 -3.417 -9.936 1.00 0.00 H new ATOM 0 HG1 THR A 89 5.474 -1.687 -11.006 1.00 0.00 H new ATOM 0 HG21 THR A 89 3.352 -1.146 -10.047 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.919 -1.968 -8.529 1.00 0.00 H new ATOM 0 HG23 THR A 89 4.190 -0.724 -8.534 1.00 0.00 H new TER 1441 THR A 89 ATOM 1442 N SER B 115 1.052 24.964 9.873 1.00 0.00 N ATOM 1443 CA SER B 115 2.057 25.515 8.972 1.00 0.00 C ATOM 1444 C SER B 115 3.464 25.264 9.506 1.00 0.00 C ATOM 1445 O SER B 115 4.372 24.914 8.752 1.00 0.00 O ATOM 1446 CB SER B 115 1.832 27.016 8.781 1.00 0.00 C ATOM 1447 OG SER B 115 1.550 27.322 7.426 1.00 0.00 O ATOM 0 HA SER B 115 1.959 25.014 8.009 1.00 0.00 H new ATOM 0 HB2 SER B 115 1.006 27.346 9.411 1.00 0.00 H new ATOM 0 HB3 SER B 115 2.718 27.563 9.104 1.00 0.00 H new ATOM 0 HG SER B 115 1.409 28.287 7.331 1.00 0.00 H new ATOM 1453 N GLN B 116 3.635 25.444 10.812 1.00 0.00 N ATOM 1454 CA GLN B 116 4.930 25.238 11.448 1.00 0.00 C ATOM 1455 C GLN B 116 4.939 23.947 12.260 1.00 0.00 C ATOM 1456 O GLN B 116 4.109 23.757 13.149 1.00 0.00 O ATOM 1457 CB GLN B 116 5.274 26.425 12.350 1.00 0.00 C ATOM 1458 CG GLN B 116 4.606 27.723 11.928 1.00 0.00 C ATOM 1459 CD GLN B 116 5.506 28.929 12.113 1.00 0.00 C ATOM 1460 OE1 GLN B 116 5.101 29.937 12.694 1.00 0.00 O ATOM 1461 NE2 GLN B 116 6.734 28.833 11.618 1.00 0.00 N ATOM 0 H GLN B 116 2.893 25.732 11.450 1.00 0.00 H new ATOM 0 HA GLN B 116 5.683 25.157 10.664 1.00 0.00 H new ATOM 0 HB2 GLN B 116 4.980 26.191 13.373 1.00 0.00 H new ATOM 0 HB3 GLN B 116 6.355 26.567 12.354 1.00 0.00 H new ATOM 0 HG2 GLN B 116 4.311 27.652 10.881 1.00 0.00 H new ATOM 0 HG3 GLN B 116 3.694 27.863 12.508 1.00 0.00 H new ATOM 0 HE21 GLN B 116 7.027 27.979 11.144 1.00 0.00 H new ATOM 0 HE22 GLN B 116 7.384 29.613 11.712 1.00 0.00 H new ATOM 1470 N GLU B 117 5.882 23.064 11.948 1.00 0.00 N ATOM 1471 CA GLU B 117 5.996 21.790 12.649 1.00 0.00 C ATOM 1472 C GLU B 117 7.301 21.086 12.288 1.00 0.00 C ATOM 1473 O GLU B 117 7.625 20.916 11.112 1.00 0.00 O ATOM 1474 CB GLU B 117 4.807 20.888 12.312 1.00 0.00 C ATOM 1475 CG GLU B 117 4.065 21.305 11.053 1.00 0.00 C ATOM 1476 CD GLU B 117 2.913 22.248 11.340 1.00 0.00 C ATOM 1477 OE1 GLU B 117 2.391 22.217 12.474 1.00 0.00 O ATOM 1478 OE2 GLU B 117 2.532 23.015 10.431 1.00 0.00 O ATOM 0 H GLU B 117 6.577 23.207 11.216 1.00 0.00 H new ATOM 0 HA GLU B 117 5.996 21.993 13.720 1.00 0.00 H new ATOM 0 HB2 GLU B 117 5.161 19.864 12.193 1.00 0.00 H new ATOM 0 HB3 GLU B 117 4.111 20.889 13.151 1.00 0.00 H new ATOM 0 HG2 GLU B 117 4.762 21.787 10.368 1.00 0.00 H new ATOM 0 HG3 GLU B 117 3.685 20.417 10.548 1.00 0.00 H new ATOM 1485 N THR B 118 8.048 20.678 13.309 1.00 0.00 N ATOM 1486 CA THR B 118 9.318 19.994 13.102 1.00 0.00 C ATOM 1487 C THR B 118 9.160 18.819 12.143 1.00 0.00 C ATOM 1488 O THR B 118 8.094 18.207 12.066 1.00 0.00 O ATOM 1489 CB THR B 118 9.904 19.481 14.431 1.00 0.00 C ATOM 1490 OG1 THR B 118 10.174 20.583 15.305 1.00 0.00 O ATOM 1491 CG2 THR B 118 11.183 18.693 14.191 1.00 0.00 C ATOM 0 H THR B 118 7.795 20.810 14.288 1.00 0.00 H new ATOM 0 HA THR B 118 10.002 20.724 12.669 1.00 0.00 H new ATOM 0 HB THR B 118 9.171 18.821 14.894 1.00 0.00 H new ATOM 0 HG1 THR B 118 10.545 20.249 16.148 1.00 0.00 H new ATOM 0 HG21 THR B 118 11.578 18.341 15.144 1.00 0.00 H new ATOM 0 HG22 THR B 118 10.969 17.838 13.549 1.00 0.00 H new ATOM 0 HG23 THR B 118 11.920 19.334 13.707 1.00 0.00 H new ATOM 1499 N PHE B 119 10.227 18.509 11.414 1.00 0.00 N ATOM 1500 CA PHE B 119 10.206 17.407 10.459 1.00 0.00 C ATOM 1501 C PHE B 119 9.557 16.169 11.072 1.00 0.00 C ATOM 1502 O PHE B 119 8.583 15.638 10.539 1.00 0.00 O ATOM 1503 CB PHE B 119 11.627 17.076 9.998 1.00 0.00 C ATOM 1504 CG PHE B 119 11.865 17.354 8.542 1.00 0.00 C ATOM 1505 CD1 PHE B 119 10.844 17.199 7.618 1.00 0.00 C ATOM 1506 CD2 PHE B 119 13.109 17.771 8.096 1.00 0.00 C ATOM 1507 CE1 PHE B 119 11.060 17.453 6.277 1.00 0.00 C ATOM 1508 CE2 PHE B 119 13.331 18.027 6.756 1.00 0.00 C ATOM 1509 CZ PHE B 119 12.305 17.869 5.845 1.00 0.00 C ATOM 0 H PHE B 119 11.117 19.005 11.466 1.00 0.00 H new ATOM 0 HA PHE B 119 9.615 17.717 9.597 1.00 0.00 H new ATOM 0 HB2 PHE B 119 12.336 17.654 10.591 1.00 0.00 H new ATOM 0 HB3 PHE B 119 11.829 16.023 10.196 1.00 0.00 H new ATOM 0 HD1 PHE B 119 9.868 16.876 7.950 1.00 0.00 H new ATOM 0 HD2 PHE B 119 13.915 17.897 8.804 1.00 0.00 H new ATOM 0 HE1 PHE B 119 10.256 17.326 5.567 1.00 0.00 H new ATOM 0 HE2 PHE B 119 14.306 18.350 6.422 1.00 0.00 H new ATOM 0 HZ PHE B 119 12.475 18.070 4.798 1.00 0.00 H new ATOM 1519 N SER B 120 10.105 15.714 12.194 1.00 0.00 N ATOM 1520 CA SER B 120 9.583 14.537 12.878 1.00 0.00 C ATOM 1521 C SER B 120 8.083 14.670 13.120 1.00 0.00 C ATOM 1522 O SER B 120 7.385 13.676 13.324 1.00 0.00 O ATOM 1523 CB SER B 120 10.310 14.329 14.207 1.00 0.00 C ATOM 1524 OG SER B 120 11.071 13.133 14.192 1.00 0.00 O ATOM 0 H SER B 120 10.911 16.143 12.649 1.00 0.00 H new ATOM 0 HA SER B 120 9.754 13.670 12.240 1.00 0.00 H new ATOM 0 HB2 SER B 120 10.965 15.178 14.403 1.00 0.00 H new ATOM 0 HB3 SER B 120 9.585 14.292 15.020 1.00 0.00 H new ATOM 0 HG SER B 120 11.527 13.025 15.053 1.00 0.00 H new ATOM 1530 N ASP B 121 7.594 15.905 13.098 1.00 0.00 N ATOM 1531 CA ASP B 121 6.176 16.169 13.314 1.00 0.00 C ATOM 1532 C ASP B 121 5.384 15.972 12.026 1.00 0.00 C ATOM 1533 O ASP B 121 4.431 15.193 11.983 1.00 0.00 O ATOM 1534 CB ASP B 121 5.976 17.592 13.838 1.00 0.00 C ATOM 1535 CG ASP B 121 5.300 17.619 15.195 1.00 0.00 C ATOM 1536 OD1 ASP B 121 6.018 17.582 16.216 1.00 0.00 O ATOM 1537 OD2 ASP B 121 4.053 17.678 15.236 1.00 0.00 O ATOM 0 H ASP B 121 8.158 16.739 12.933 1.00 0.00 H new ATOM 0 HA ASP B 121 5.808 15.461 14.057 1.00 0.00 H new ATOM 0 HB2 ASP B 121 6.943 18.090 13.907 1.00 0.00 H new ATOM 0 HB3 ASP B 121 5.376 18.158 13.125 1.00 0.00 H new ATOM 1542 N LEU B 122 5.782 16.684 10.978 1.00 0.00 N ATOM 1543 CA LEU B 122 5.109 16.589 9.687 1.00 0.00 C ATOM 1544 C LEU B 122 5.624 15.394 8.891 1.00 0.00 C ATOM 1545 O LEU B 122 4.843 14.570 8.415 1.00 0.00 O ATOM 1546 CB LEU B 122 5.313 17.876 8.886 1.00 0.00 C ATOM 1547 CG LEU B 122 4.184 18.257 7.928 1.00 0.00 C ATOM 1548 CD1 LEU B 122 2.913 18.575 8.700 1.00 0.00 C ATOM 1549 CD2 LEU B 122 4.595 19.440 7.063 1.00 0.00 C ATOM 0 H LEU B 122 6.568 17.334 10.997 1.00 0.00 H new ATOM 0 HA LEU B 122 4.044 16.448 9.871 1.00 0.00 H new ATOM 0 HB2 LEU B 122 5.460 18.697 9.587 1.00 0.00 H new ATOM 0 HB3 LEU B 122 6.234 17.780 8.311 1.00 0.00 H new ATOM 0 HG LEU B 122 3.985 17.407 7.275 1.00 0.00 H new ATOM 0 HD11 LEU B 122 2.121 18.844 8.001 1.00 0.00 H new ATOM 0 HD12 LEU B 122 2.608 17.701 9.275 1.00 0.00 H new ATOM 0 HD13 LEU B 122 3.098 19.409 9.378 1.00 0.00 H new ATOM 0 HD21 LEU B 122 3.779 19.697 6.387 1.00 0.00 H new ATOM 0 HD22 LEU B 122 4.822 20.295 7.700 1.00 0.00 H new ATOM 0 HD23 LEU B 122 5.478 19.176 6.481 1.00 0.00 H new ATOM 1561 N TRP B 123 6.941 15.306 8.753 1.00 0.00 N ATOM 1562 CA TRP B 123 7.561 14.210 8.017 1.00 0.00 C ATOM 1563 C TRP B 123 6.796 12.908 8.232 1.00 0.00 C ATOM 1564 O TRP B 123 6.340 12.279 7.278 1.00 0.00 O ATOM 1565 CB TRP B 123 9.018 14.037 8.448 1.00 0.00 C ATOM 1566 CG TRP B 123 9.870 13.372 7.410 1.00 0.00 C ATOM 1567 CD1 TRP B 123 10.505 12.168 7.519 1.00 0.00 C ATOM 1568 CD2 TRP B 123 10.182 13.876 6.106 1.00 0.00 C ATOM 1569 NE1 TRP B 123 11.193 11.893 6.362 1.00 0.00 N ATOM 1570 CE2 TRP B 123 11.010 12.924 5.479 1.00 0.00 C ATOM 1571 CE3 TRP B 123 9.841 15.037 5.407 1.00 0.00 C ATOM 1572 CZ2 TRP B 123 11.501 13.101 4.188 1.00 0.00 C ATOM 1573 CZ3 TRP B 123 10.329 15.210 4.126 1.00 0.00 C ATOM 1574 CH2 TRP B 123 11.151 14.246 3.527 1.00 0.00 C ATOM 0 H TRP B 123 7.601 15.980 9.141 1.00 0.00 H new ATOM 0 HA TRP B 123 7.531 14.456 6.956 1.00 0.00 H new ATOM 0 HB2 TRP B 123 9.439 15.015 8.681 1.00 0.00 H new ATOM 0 HB3 TRP B 123 9.051 13.449 9.365 1.00 0.00 H new ATOM 0 HD1 TRP B 123 10.471 11.526 8.387 1.00 0.00 H new ATOM 0 HE1 TRP B 123 11.750 11.056 6.189 1.00 0.00 H new ATOM 0 HE3 TRP B 123 9.208 15.785 5.860 1.00 0.00 H new ATOM 0 HZ2 TRP B 123 12.136 12.360 3.725 1.00 0.00 H new ATOM 0 HZ3 TRP B 123 10.072 16.104 3.577 1.00 0.00 H new ATOM 0 HH2 TRP B 123 11.515 14.410 2.524 1.00 0.00 H new ATOM 1585 N LYS B 124 6.659 12.509 9.492 1.00 0.00 N ATOM 1586 CA LYS B 124 5.949 11.283 9.834 1.00 0.00 C ATOM 1587 C LYS B 124 4.599 11.221 9.126 1.00 0.00 C ATOM 1588 O LYS B 124 4.192 10.167 8.636 1.00 0.00 O ATOM 1589 CB LYS B 124 5.747 11.192 11.348 1.00 0.00 C ATOM 1590 CG LYS B 124 6.739 10.273 12.040 1.00 0.00 C ATOM 1591 CD LYS B 124 6.922 10.649 13.501 1.00 0.00 C ATOM 1592 CE LYS B 124 6.405 9.558 14.426 1.00 0.00 C ATOM 1593 NZ LYS B 124 5.080 9.041 13.987 1.00 0.00 N ATOM 0 H LYS B 124 7.031 13.018 10.294 1.00 0.00 H new ATOM 0 HA LYS B 124 6.553 10.438 9.503 1.00 0.00 H new ATOM 0 HB2 LYS B 124 5.829 12.190 11.778 1.00 0.00 H new ATOM 0 HB3 LYS B 124 4.736 10.840 11.551 1.00 0.00 H new ATOM 0 HG2 LYS B 124 6.392 9.242 11.969 1.00 0.00 H new ATOM 0 HG3 LYS B 124 7.700 10.322 11.528 1.00 0.00 H new ATOM 0 HD2 LYS B 124 7.978 10.828 13.702 1.00 0.00 H new ATOM 0 HD3 LYS B 124 6.396 11.581 13.707 1.00 0.00 H new ATOM 0 HE2 LYS B 124 7.123 8.738 14.457 1.00 0.00 H new ATOM 0 HE3 LYS B 124 6.324 9.950 15.440 1.00 0.00 H new ATOM 0 HZ1 LYS B 124 4.527 8.753 14.819 1.00 0.00 H new ATOM 0 HZ2 LYS B 124 4.569 9.787 13.473 1.00 0.00 H new ATOM 0 HZ3 LYS B 124 5.217 8.221 13.362 1.00 0.00 H new ATOM 1607 N LEU B 125 3.911 12.356 9.074 1.00 0.00 N ATOM 1608 CA LEU B 125 2.607 12.431 8.424 1.00 0.00 C ATOM 1609 C LEU B 125 2.608 11.655 7.111 1.00 0.00 C ATOM 1610 O LEU B 125 1.704 10.862 6.845 1.00 0.00 O ATOM 1611 CB LEU B 125 2.226 13.890 8.167 1.00 0.00 C ATOM 1612 CG LEU B 125 0.752 14.155 7.860 1.00 0.00 C ATOM 1613 CD1 LEU B 125 -0.131 13.617 8.975 1.00 0.00 C ATOM 1614 CD2 LEU B 125 0.509 15.643 7.655 1.00 0.00 C ATOM 0 H LEU B 125 4.234 13.237 9.474 1.00 0.00 H new ATOM 0 HA LEU B 125 1.870 11.982 9.090 1.00 0.00 H new ATOM 0 HB2 LEU B 125 2.505 14.477 9.042 1.00 0.00 H new ATOM 0 HB3 LEU B 125 2.822 14.259 7.332 1.00 0.00 H new ATOM 0 HG LEU B 125 0.494 13.635 6.938 1.00 0.00 H new ATOM 0 HD11 LEU B 125 -1.177 13.815 8.739 1.00 0.00 H new ATOM 0 HD12 LEU B 125 0.022 12.542 9.073 1.00 0.00 H new ATOM 0 HD13 LEU B 125 0.128 14.108 9.913 1.00 0.00 H new ATOM 0 HD21 LEU B 125 -0.545 15.813 7.437 1.00 0.00 H new ATOM 0 HD22 LEU B 125 0.785 16.185 8.560 1.00 0.00 H new ATOM 0 HD23 LEU B 125 1.113 15.999 6.821 1.00 0.00 H new ATOM 1626 N LEU B 126 3.629 11.886 6.294 1.00 0.00 N ATOM 1627 CA LEU B 126 3.750 11.207 5.008 1.00 0.00 C ATOM 1628 C LEU B 126 3.796 9.694 5.194 1.00 0.00 C ATOM 1629 O LEU B 126 4.772 9.135 5.694 1.00 0.00 O ATOM 1630 CB LEU B 126 5.006 11.681 4.275 1.00 0.00 C ATOM 1631 CG LEU B 126 4.800 12.778 3.230 1.00 0.00 C ATOM 1632 CD1 LEU B 126 4.877 14.152 3.876 1.00 0.00 C ATOM 1633 CD2 LEU B 126 5.828 12.652 2.115 1.00 0.00 C ATOM 0 H LEU B 126 4.386 12.539 6.499 1.00 0.00 H new ATOM 0 HA LEU B 126 2.873 11.455 4.410 1.00 0.00 H new ATOM 0 HB2 LEU B 126 5.720 12.042 5.015 1.00 0.00 H new ATOM 0 HB3 LEU B 126 5.462 10.821 3.785 1.00 0.00 H new ATOM 0 HG LEU B 126 3.807 12.659 2.797 1.00 0.00 H new ATOM 0 HD11 LEU B 126 4.728 14.920 3.117 1.00 0.00 H new ATOM 0 HD12 LEU B 126 4.102 14.240 4.638 1.00 0.00 H new ATOM 0 HD13 LEU B 126 5.856 14.283 4.337 1.00 0.00 H new ATOM 0 HD21 LEU B 126 5.666 13.441 1.380 1.00 0.00 H new ATOM 0 HD22 LEU B 126 6.831 12.745 2.532 1.00 0.00 H new ATOM 0 HD23 LEU B 126 5.724 11.680 1.633 1.00 0.00 H new ATOM 1645 N PRO B 127 2.716 9.014 4.780 1.00 0.00 N ATOM 1646 CA PRO B 127 2.610 7.556 4.888 1.00 0.00 C ATOM 1647 C PRO B 127 3.553 6.833 3.932 1.00 0.00 C ATOM 1648 O PRO B 127 3.112 6.099 3.049 1.00 0.00 O ATOM 1649 CB PRO B 127 1.152 7.278 4.513 1.00 0.00 C ATOM 1650 CG PRO B 127 0.756 8.428 3.653 1.00 0.00 C ATOM 1651 CD PRO B 127 1.517 9.616 4.174 1.00 0.00 C ATOM 0 HA PRO B 127 2.885 7.200 5.881 1.00 0.00 H new ATOM 0 HB2 PRO B 127 1.054 6.333 3.980 1.00 0.00 H new ATOM 0 HB3 PRO B 127 0.521 7.211 5.399 1.00 0.00 H new ATOM 0 HG2 PRO B 127 1.000 8.236 2.608 1.00 0.00 H new ATOM 0 HG3 PRO B 127 -0.319 8.601 3.703 1.00 0.00 H new ATOM 0 HD2 PRO B 127 1.776 10.310 3.374 1.00 0.00 H new ATOM 0 HD3 PRO B 127 0.935 10.177 4.906 1.00 0.00 H new ATOM 1659 N GLU B 128 4.852 7.047 4.116 1.00 0.00 N ATOM 1660 CA GLU B 128 5.857 6.415 3.268 1.00 0.00 C ATOM 1661 C GLU B 128 5.348 6.271 1.837 1.00 0.00 C ATOM 1662 O GLU B 128 5.527 7.164 1.010 1.00 0.00 O ATOM 1663 CB GLU B 128 6.238 5.043 3.826 1.00 0.00 C ATOM 1664 CG GLU B 128 5.184 4.445 4.743 1.00 0.00 C ATOM 1665 CD GLU B 128 5.086 5.171 6.071 1.00 0.00 C ATOM 1666 OE1 GLU B 128 6.119 5.692 6.540 1.00 0.00 O ATOM 1667 OE2 GLU B 128 3.976 5.217 6.641 1.00 0.00 O ATOM 0 H GLU B 128 5.233 7.652 4.843 1.00 0.00 H new ATOM 0 HA GLU B 128 6.741 7.053 3.259 1.00 0.00 H new ATOM 0 HB2 GLU B 128 6.416 4.359 2.996 1.00 0.00 H new ATOM 0 HB3 GLU B 128 7.176 5.131 4.373 1.00 0.00 H new ATOM 0 HG2 GLU B 128 4.215 4.475 4.245 1.00 0.00 H new ATOM 0 HG3 GLU B 128 5.418 3.396 4.923 1.00 0.00 H new ATOM 1674 N ASN B 129 4.712 5.139 1.552 1.00 0.00 N ATOM 1675 CA ASN B 129 4.178 4.875 0.221 1.00 0.00 C ATOM 1676 C ASN B 129 5.273 4.986 -0.836 1.00 0.00 C ATOM 1677 O ASN B 129 4.996 4.955 -2.035 1.00 0.00 O ATOM 1678 CB ASN B 129 3.044 5.852 -0.098 1.00 0.00 C ATOM 1679 CG ASN B 129 1.698 5.162 -0.198 1.00 0.00 C ATOM 1680 OD1 ASN B 129 1.073 5.146 -1.258 1.00 0.00 O ATOM 1681 ND2 ASN B 129 1.244 4.587 0.910 1.00 0.00 N ATOM 0 H ASN B 129 4.554 4.390 2.226 1.00 0.00 H new ATOM 0 HA ASN B 129 3.787 3.858 0.208 1.00 0.00 H new ATOM 0 HB2 ASN B 129 3.000 6.618 0.676 1.00 0.00 H new ATOM 0 HB3 ASN B 129 3.259 6.360 -1.038 1.00 0.00 H new ATOM 0 HD21 ASN B 129 0.344 4.108 0.904 1.00 0.00 H new ATOM 0 HD22 ASN B 129 1.796 4.625 1.767 1.00 0.00 H new TER 1688 ASN B 129