USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 722 hydrogens (34 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 NoAdj-H: B 4 MLY H2 : B 4 MLY N : B 3 THR C :(H bumps) USER MOD NoAdj-H: B 4 MLY H : B 4 MLY N : B 3 THR C :(H bumps) USER MOD NoAdj-H: B 9 MLY H2 : B 9 MLY N : B 8 ARG C :(H bumps) USER MOD NoAdj-H: B 9 MLY H : B 9 MLY N : B 8 ARG C :(H bumps) USER MOD Set 1.1: A 8 HIS : no HD1:sc= -0.884 K(o=-3,f=-5.9!) USER MOD Set 1.2: A 9 MET CE :methyl 138:sc= -2.11! (180deg=-5.22!) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -166:sc= -0.0339 (180deg=-0.232) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= -0.538 USER MOD Single : A 41 LYS NZ :NH3+ 165:sc= 0.923 (180deg=0.54) USER MOD Single : A 43 LYS NZ :NH3+ 167:sc= -0.0464 (180deg=-0.283) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -3.28! C(o=-3.3!,f=-4.6!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -4.77! C(o=-4.8!,f=-12!) USER MOD Single : A 60 CYS SG : rot 53:sc= -1.77 USER MOD Single : A 69 GLN : amide:sc= -2.49! C(o=-2.5!,f=-4.8!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN :FLIP amide:sc= 0.0128 F(o=-1.8!,f=0.013) USER MOD Single : A 72 LYS NZ :NH3+ 168:sc= -0.0362 (180deg=-0.244) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HE2:sc= 0.00301 X(o=0.003,f=-0.041) USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.0659 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 26:sc= 0.144 USER MOD Single : B 1 ALA N :NH3+ -175:sc= 0 (180deg=-0.0365) USER MOD Single : B 3 THR OG1 : rot 180:sc= -1.78! USER MOD Single : B 5 GLN : amide:sc= -5.36! C(o=-5.4!,f=-6.4!) USER MOD Single : B 6 THR OG1 : rot -174:sc= 0.176 USER MOD Single : B 10 SER OG : rot 30:sc= 0.41 USER MOD Single : B 11 THR OG1 : rot 130:sc= -0.574 USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 8 -13.181 3.734 16.857 1.00 0.00 N ATOM 2 CA HIS A 8 -14.280 4.111 15.929 1.00 0.00 C ATOM 3 C HIS A 8 -14.896 2.876 15.279 1.00 0.00 C ATOM 4 O HIS A 8 -16.118 2.763 15.174 1.00 0.00 O ATOM 5 CB HIS A 8 -13.714 5.050 14.860 1.00 0.00 C ATOM 6 CG HIS A 8 -14.749 5.576 13.912 1.00 0.00 C ATOM 7 ND1 HIS A 8 -15.523 4.762 13.113 1.00 0.00 N ATOM 8 CD2 HIS A 8 -15.135 6.845 13.640 1.00 0.00 C ATOM 9 CE1 HIS A 8 -16.339 5.506 12.388 1.00 0.00 C ATOM 10 NE2 HIS A 8 -16.124 6.773 12.690 1.00 0.00 N ATOM 0 HA HIS A 8 -15.069 4.614 16.488 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -13.222 5.890 15.350 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -12.949 4.521 14.292 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -14.739 7.745 14.087 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -17.059 5.140 11.671 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -16.614 7.570 12.283 1.00 0.00 H new ATOM 21 N MET A 9 -14.043 1.952 14.846 1.00 0.00 N ATOM 22 CA MET A 9 -14.504 0.724 14.208 1.00 0.00 C ATOM 23 C MET A 9 -15.339 -0.110 15.176 1.00 0.00 C ATOM 24 O MET A 9 -14.937 -0.342 16.316 1.00 0.00 O ATOM 25 CB MET A 9 -13.312 -0.095 13.709 1.00 0.00 C ATOM 26 CG MET A 9 -12.440 0.624 12.686 1.00 0.00 C ATOM 27 SD MET A 9 -13.206 0.761 11.053 1.00 0.00 S ATOM 28 CE MET A 9 -14.406 2.066 11.316 1.00 0.00 C ATOM 0 H MET A 9 -13.029 2.031 14.926 1.00 0.00 H new ATOM 0 HA MET A 9 -15.129 0.997 13.358 1.00 0.00 H new ATOM 0 HB2 MET A 9 -12.695 -0.374 14.563 1.00 0.00 H new ATOM 0 HB3 MET A 9 -13.682 -1.020 13.267 1.00 0.00 H new ATOM 0 HG2 MET A 9 -12.210 1.623 13.055 1.00 0.00 H new ATOM 0 HG3 MET A 9 -11.493 0.093 12.591 1.00 0.00 H new ATOM 0 HE1 MET A 9 -14.403 2.741 10.460 1.00 0.00 H new ATOM 0 HE2 MET A 9 -15.398 1.630 11.430 1.00 0.00 H new ATOM 0 HE3 MET A 9 -14.148 2.622 12.218 1.00 0.00 H new ATOM 38 N VAL A 10 -16.503 -0.556 14.713 1.00 0.00 N ATOM 39 CA VAL A 10 -17.395 -1.363 15.538 1.00 0.00 C ATOM 40 C VAL A 10 -16.776 -2.718 15.866 1.00 0.00 C ATOM 41 O VAL A 10 -16.303 -3.430 14.980 1.00 0.00 O ATOM 42 CB VAL A 10 -18.758 -1.577 14.849 1.00 0.00 C ATOM 43 CG1 VAL A 10 -19.484 -0.251 14.684 1.00 0.00 C ATOM 44 CG2 VAL A 10 -18.581 -2.264 13.503 1.00 0.00 C ATOM 0 H VAL A 10 -16.850 -0.372 13.772 1.00 0.00 H new ATOM 0 HA VAL A 10 -17.550 -0.812 16.465 1.00 0.00 H new ATOM 0 HB VAL A 10 -19.364 -2.225 15.482 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -20.444 -0.420 14.196 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -19.649 0.198 15.663 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -18.880 0.421 14.074 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -19.555 -2.405 13.035 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -17.955 -1.646 12.859 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -18.105 -3.234 13.649 1.00 0.00 H new ATOM 54 N GLU A 11 -16.785 -3.070 17.149 1.00 0.00 N ATOM 55 CA GLU A 11 -16.230 -4.342 17.600 1.00 0.00 C ATOM 56 C GLU A 11 -17.197 -5.497 17.328 1.00 0.00 C ATOM 57 O GLU A 11 -17.822 -5.553 16.268 1.00 0.00 O ATOM 58 CB GLU A 11 -15.870 -4.266 19.089 1.00 0.00 C ATOM 59 CG GLU A 11 -16.891 -3.532 19.953 1.00 0.00 C ATOM 60 CD GLU A 11 -18.261 -4.185 19.962 1.00 0.00 C ATOM 61 OE1 GLU A 11 -18.949 -4.143 18.921 1.00 0.00 O ATOM 62 OE2 GLU A 11 -18.646 -4.739 21.013 1.00 0.00 O ATOM 0 H GLU A 11 -17.171 -2.491 17.895 1.00 0.00 H new ATOM 0 HA GLU A 11 -15.320 -4.537 17.033 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -15.751 -5.279 19.473 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -14.904 -3.771 19.191 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -16.517 -3.477 20.975 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -16.988 -2.507 19.594 1.00 0.00 H new ATOM 69 N GLU A 12 -17.317 -6.414 18.289 1.00 0.00 N ATOM 70 CA GLU A 12 -18.209 -7.562 18.154 1.00 0.00 C ATOM 71 C GLU A 12 -17.827 -8.403 16.931 1.00 0.00 C ATOM 72 O GLU A 12 -16.723 -8.944 16.868 1.00 0.00 O ATOM 73 CB GLU A 12 -19.667 -7.095 18.071 1.00 0.00 C ATOM 74 CG GLU A 12 -20.680 -8.226 18.172 1.00 0.00 C ATOM 75 CD GLU A 12 -22.113 -7.730 18.117 1.00 0.00 C ATOM 76 OE1 GLU A 12 -22.498 -6.930 18.996 1.00 0.00 O ATOM 77 OE2 GLU A 12 -22.849 -8.143 17.197 1.00 0.00 O ATOM 0 H GLU A 12 -16.805 -6.382 19.171 1.00 0.00 H new ATOM 0 HA GLU A 12 -18.103 -8.192 19.037 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -19.855 -6.378 18.870 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -19.817 -6.568 17.129 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -20.512 -8.933 17.360 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -20.522 -8.768 19.104 1.00 0.00 H new ATOM 84 N VAL A 13 -18.741 -8.519 15.966 1.00 0.00 N ATOM 85 CA VAL A 13 -18.487 -9.302 14.762 1.00 0.00 C ATOM 86 C VAL A 13 -17.249 -8.796 14.026 1.00 0.00 C ATOM 87 O VAL A 13 -17.119 -7.602 13.758 1.00 0.00 O ATOM 88 CB VAL A 13 -19.693 -9.261 13.803 1.00 0.00 C ATOM 89 CG1 VAL A 13 -19.452 -10.154 12.596 1.00 0.00 C ATOM 90 CG2 VAL A 13 -20.969 -9.664 14.531 1.00 0.00 C ATOM 0 H VAL A 13 -19.661 -8.080 15.997 1.00 0.00 H new ATOM 0 HA VAL A 13 -18.320 -10.330 15.082 1.00 0.00 H new ATOM 0 HB VAL A 13 -19.813 -8.238 13.446 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -20.316 -10.110 11.933 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -18.566 -9.812 12.061 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -19.301 -11.181 12.928 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -21.810 -9.629 13.838 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -20.861 -10.676 14.920 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -21.150 -8.975 15.356 1.00 0.00 H new ATOM 100 N LEU A 14 -16.346 -9.716 13.697 1.00 0.00 N ATOM 101 CA LEU A 14 -15.121 -9.366 12.984 1.00 0.00 C ATOM 102 C LEU A 14 -15.364 -9.302 11.479 1.00 0.00 C ATOM 103 O LEU A 14 -16.507 -9.350 11.028 1.00 0.00 O ATOM 104 CB LEU A 14 -13.982 -10.355 13.303 1.00 0.00 C ATOM 105 CG LEU A 14 -14.339 -11.856 13.324 1.00 0.00 C ATOM 106 CD1 LEU A 14 -15.121 -12.212 14.580 1.00 0.00 C ATOM 107 CD2 LEU A 14 -15.121 -12.258 12.079 1.00 0.00 C ATOM 0 H LEU A 14 -16.439 -10.709 13.913 1.00 0.00 H new ATOM 0 HA LEU A 14 -14.815 -8.378 13.327 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -13.190 -10.206 12.570 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -13.569 -10.092 14.277 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.403 -12.415 13.330 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -15.360 -13.275 14.570 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -14.520 -11.983 15.460 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -16.044 -11.633 14.610 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -15.357 -13.321 12.125 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -16.046 -11.683 12.029 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -14.521 -12.058 11.192 1.00 0.00 H new ATOM 119 N GLU A 15 -14.280 -9.200 10.712 1.00 0.00 N ATOM 120 CA GLU A 15 -14.366 -9.133 9.254 1.00 0.00 C ATOM 121 C GLU A 15 -15.418 -8.118 8.809 1.00 0.00 C ATOM 122 O GLU A 15 -15.625 -7.101 9.470 1.00 0.00 O ATOM 123 CB GLU A 15 -14.684 -10.516 8.682 1.00 0.00 C ATOM 124 CG GLU A 15 -13.612 -11.554 8.967 1.00 0.00 C ATOM 125 CD GLU A 15 -13.940 -12.909 8.371 1.00 0.00 C ATOM 126 OE1 GLU A 15 -14.990 -13.479 8.735 1.00 0.00 O ATOM 127 OE2 GLU A 15 -13.147 -13.399 7.540 1.00 0.00 O ATOM 0 H GLU A 15 -13.329 -9.162 11.078 1.00 0.00 H new ATOM 0 HA GLU A 15 -13.400 -8.804 8.871 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -15.631 -10.862 9.095 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -14.819 -10.432 7.604 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -12.659 -11.206 8.567 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.487 -11.656 10.045 1.00 0.00 H new ATOM 134 N GLU A 16 -16.080 -8.401 7.685 1.00 0.00 N ATOM 135 CA GLU A 16 -17.109 -7.510 7.155 1.00 0.00 C ATOM 136 C GLU A 16 -16.597 -6.076 7.056 1.00 0.00 C ATOM 137 O GLU A 16 -17.230 -5.143 7.554 1.00 0.00 O ATOM 138 CB GLU A 16 -18.371 -7.570 8.023 1.00 0.00 C ATOM 139 CG GLU A 16 -19.206 -8.823 7.802 1.00 0.00 C ATOM 140 CD GLU A 16 -18.439 -10.103 8.072 1.00 0.00 C ATOM 141 OE1 GLU A 16 -18.023 -10.313 9.229 1.00 0.00 O ATOM 142 OE2 GLU A 16 -18.255 -10.895 7.124 1.00 0.00 O ATOM 0 H GLU A 16 -15.921 -9.239 7.126 1.00 0.00 H new ATOM 0 HA GLU A 16 -17.361 -7.848 6.150 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -18.082 -7.517 9.073 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -18.985 -6.694 7.817 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -20.082 -8.788 8.450 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -19.569 -8.834 6.774 1.00 0.00 H new ATOM 149 N GLU A 17 -15.448 -5.909 6.410 1.00 0.00 N ATOM 150 CA GLU A 17 -14.846 -4.592 6.242 1.00 0.00 C ATOM 151 C GLU A 17 -13.760 -4.627 5.165 1.00 0.00 C ATOM 152 O GLU A 17 -13.917 -5.296 4.142 1.00 0.00 O ATOM 153 CB GLU A 17 -14.265 -4.105 7.573 1.00 0.00 C ATOM 154 CG GLU A 17 -13.233 -5.049 8.170 1.00 0.00 C ATOM 155 CD GLU A 17 -12.665 -4.535 9.479 1.00 0.00 C ATOM 156 OE1 GLU A 17 -12.070 -3.437 9.477 1.00 0.00 O ATOM 157 OE2 GLU A 17 -12.815 -5.231 10.505 1.00 0.00 O ATOM 0 H GLU A 17 -14.914 -6.672 5.993 1.00 0.00 H new ATOM 0 HA GLU A 17 -15.620 -3.895 5.921 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -13.807 -3.127 7.424 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -15.078 -3.971 8.287 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -13.690 -6.025 8.334 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -12.421 -5.193 7.457 1.00 0.00 H new ATOM 164 N GLU A 18 -12.661 -3.909 5.393 1.00 0.00 N ATOM 165 CA GLU A 18 -11.563 -3.868 4.434 1.00 0.00 C ATOM 166 C GLU A 18 -11.007 -5.268 4.178 1.00 0.00 C ATOM 167 O GLU A 18 -10.632 -5.977 5.112 1.00 0.00 O ATOM 168 CB GLU A 18 -10.452 -2.958 4.943 1.00 0.00 C ATOM 169 CG GLU A 18 -10.898 -1.527 5.194 1.00 0.00 C ATOM 170 CD GLU A 18 -9.785 -0.655 5.742 1.00 0.00 C ATOM 171 OE1 GLU A 18 -8.663 -1.172 5.933 1.00 0.00 O ATOM 172 OE2 GLU A 18 -10.034 0.545 5.982 1.00 0.00 O ATOM 0 H GLU A 18 -12.509 -3.350 6.232 1.00 0.00 H new ATOM 0 HA GLU A 18 -11.951 -3.473 3.495 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.052 -3.372 5.869 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.638 -2.953 4.218 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.266 -1.097 4.263 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.732 -1.528 5.896 1.00 0.00 H new ATOM 179 N GLU A 19 -10.957 -5.660 2.908 1.00 0.00 N ATOM 180 CA GLU A 19 -10.446 -6.974 2.529 1.00 0.00 C ATOM 181 C GLU A 19 -8.963 -6.909 2.174 1.00 0.00 C ATOM 182 O GLU A 19 -8.512 -5.960 1.534 1.00 0.00 O ATOM 183 CB GLU A 19 -11.239 -7.530 1.346 1.00 0.00 C ATOM 184 CG GLU A 19 -10.794 -8.918 0.913 1.00 0.00 C ATOM 185 CD GLU A 19 -11.601 -9.454 -0.255 1.00 0.00 C ATOM 186 OE1 GLU A 19 -12.834 -9.586 -0.114 1.00 0.00 O ATOM 187 OE2 GLU A 19 -10.997 -9.743 -1.309 1.00 0.00 O ATOM 0 H GLU A 19 -11.264 -5.086 2.123 1.00 0.00 H new ATOM 0 HA GLU A 19 -10.564 -7.638 3.385 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -12.296 -7.563 1.611 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.143 -6.847 0.502 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.740 -8.888 0.637 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.883 -9.603 1.756 1.00 0.00 H new ATOM 194 N GLU A 20 -8.212 -7.925 2.590 1.00 0.00 N ATOM 195 CA GLU A 20 -6.781 -7.983 2.309 1.00 0.00 C ATOM 196 C GLU A 20 -6.526 -8.335 0.845 1.00 0.00 C ATOM 197 O GLU A 20 -7.097 -9.288 0.317 1.00 0.00 O ATOM 198 CB GLU A 20 -6.099 -9.010 3.216 1.00 0.00 C ATOM 199 CG GLU A 20 -6.267 -8.719 4.699 1.00 0.00 C ATOM 200 CD GLU A 20 -5.578 -9.743 5.581 1.00 0.00 C ATOM 201 OE1 GLU A 20 -4.973 -10.689 5.032 1.00 0.00 O ATOM 202 OE2 GLU A 20 -5.646 -9.602 6.820 1.00 0.00 O ATOM 0 H GLU A 20 -8.570 -8.718 3.122 1.00 0.00 H new ATOM 0 HA GLU A 20 -6.360 -6.997 2.507 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.504 -9.999 3.000 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.036 -9.042 2.979 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.866 -7.729 4.918 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.329 -8.694 4.941 1.00 0.00 H new ATOM 209 N TYR A 21 -5.659 -7.561 0.199 1.00 0.00 N ATOM 210 CA TYR A 21 -5.317 -7.788 -1.201 1.00 0.00 C ATOM 211 C TYR A 21 -3.835 -8.116 -1.353 1.00 0.00 C ATOM 212 O TYR A 21 -2.993 -7.561 -0.647 1.00 0.00 O ATOM 213 CB TYR A 21 -5.666 -6.562 -2.052 1.00 0.00 C ATOM 214 CG TYR A 21 -7.141 -6.431 -2.375 1.00 0.00 C ATOM 215 CD1 TYR A 21 -8.111 -6.560 -1.388 1.00 0.00 C ATOM 216 CD2 TYR A 21 -7.559 -6.179 -3.676 1.00 0.00 C ATOM 217 CE1 TYR A 21 -9.455 -6.443 -1.690 1.00 0.00 C ATOM 218 CE2 TYR A 21 -8.899 -6.060 -3.985 1.00 0.00 C ATOM 219 CZ TYR A 21 -9.844 -6.193 -2.990 1.00 0.00 C ATOM 220 OH TYR A 21 -11.179 -6.076 -3.296 1.00 0.00 O ATOM 0 H TYR A 21 -5.179 -6.768 0.625 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.902 -8.638 -1.551 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -5.339 -5.664 -1.527 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -5.104 -6.609 -2.985 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.810 -6.755 -0.369 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -6.823 -6.074 -4.459 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -10.197 -6.547 -0.912 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -9.206 -5.864 -5.002 1.00 0.00 H new ATOM 0 HH TYR A 21 -11.281 -5.899 -4.255 1.00 0.00 H new ATOM 230 N VAL A 22 -3.525 -9.019 -2.281 1.00 0.00 N ATOM 231 CA VAL A 22 -2.145 -9.420 -2.529 1.00 0.00 C ATOM 232 C VAL A 22 -1.278 -8.206 -2.838 1.00 0.00 C ATOM 233 O VAL A 22 -1.674 -7.328 -3.605 1.00 0.00 O ATOM 234 CB VAL A 22 -2.057 -10.424 -3.696 1.00 0.00 C ATOM 235 CG1 VAL A 22 -0.609 -10.780 -3.997 1.00 0.00 C ATOM 236 CG2 VAL A 22 -2.863 -11.673 -3.374 1.00 0.00 C ATOM 0 H VAL A 22 -4.212 -9.486 -2.873 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.778 -9.903 -1.623 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.478 -9.957 -4.586 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.573 -11.489 -4.824 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.061 -9.878 -4.269 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.153 -11.228 -3.114 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.794 -12.375 -4.205 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.467 -12.139 -2.472 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.907 -11.402 -3.214 1.00 0.00 H new ATOM 246 N VAL A 23 -0.100 -8.154 -2.226 1.00 0.00 N ATOM 247 CA VAL A 23 0.812 -7.035 -2.426 1.00 0.00 C ATOM 248 C VAL A 23 2.126 -7.488 -3.053 1.00 0.00 C ATOM 249 O VAL A 23 2.706 -8.493 -2.643 1.00 0.00 O ATOM 250 CB VAL A 23 1.122 -6.324 -1.099 1.00 0.00 C ATOM 251 CG1 VAL A 23 1.813 -5.000 -1.359 1.00 0.00 C ATOM 252 CG2 VAL A 23 -0.145 -6.126 -0.284 1.00 0.00 C ATOM 0 H VAL A 23 0.245 -8.872 -1.589 1.00 0.00 H new ATOM 0 HA VAL A 23 0.310 -6.344 -3.103 1.00 0.00 H new ATOM 0 HB VAL A 23 1.797 -6.954 -0.519 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.026 -4.508 -0.410 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.746 -5.176 -1.894 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.164 -4.363 -1.960 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.099 -5.621 0.651 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.851 -5.519 -0.851 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.593 -7.096 -0.066 1.00 0.00 H new ATOM 262 N GLU A 24 2.594 -6.735 -4.046 1.00 0.00 N ATOM 263 CA GLU A 24 3.844 -7.057 -4.723 1.00 0.00 C ATOM 264 C GLU A 24 5.039 -6.447 -3.990 1.00 0.00 C ATOM 265 O GLU A 24 5.783 -7.153 -3.311 1.00 0.00 O ATOM 266 CB GLU A 24 3.809 -6.562 -6.170 1.00 0.00 C ATOM 267 CG GLU A 24 5.067 -6.893 -6.958 1.00 0.00 C ATOM 268 CD GLU A 24 4.992 -6.436 -8.401 1.00 0.00 C ATOM 269 OE1 GLU A 24 4.086 -6.901 -9.126 1.00 0.00 O ATOM 270 OE2 GLU A 24 5.838 -5.612 -8.809 1.00 0.00 O ATOM 0 H GLU A 24 2.126 -5.900 -4.398 1.00 0.00 H new ATOM 0 HA GLU A 24 3.958 -8.141 -4.721 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.948 -7.001 -6.675 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.663 -5.482 -6.172 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.926 -6.424 -6.477 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.235 -7.970 -6.931 1.00 0.00 H new ATOM 277 N LYS A 25 5.210 -5.130 -4.134 1.00 0.00 N ATOM 278 CA LYS A 25 6.318 -4.414 -3.492 1.00 0.00 C ATOM 279 C LYS A 25 6.014 -2.930 -3.356 1.00 0.00 C ATOM 280 O LYS A 25 5.530 -2.291 -4.290 1.00 0.00 O ATOM 281 CB LYS A 25 7.615 -4.589 -4.292 1.00 0.00 C ATOM 282 CG LYS A 25 8.185 -5.999 -4.257 1.00 0.00 C ATOM 283 CD LYS A 25 9.473 -6.111 -5.061 1.00 0.00 C ATOM 284 CE LYS A 25 9.238 -5.840 -6.539 1.00 0.00 C ATOM 285 NZ LYS A 25 10.495 -5.941 -7.329 1.00 0.00 N ATOM 0 H LYS A 25 4.595 -4.536 -4.690 1.00 0.00 H new ATOM 0 HA LYS A 25 6.443 -4.841 -2.497 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.429 -4.310 -5.329 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.363 -3.897 -3.905 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.376 -6.288 -3.223 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.448 -6.698 -4.652 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.207 -5.404 -4.673 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.894 -7.108 -4.936 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.508 -6.550 -6.927 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.811 -4.845 -6.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.292 -5.749 -8.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.183 -5.246 -6.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.890 -6.898 -7.233 1.00 0.00 H new ATOM 299 N VAL A 26 6.322 -2.387 -2.182 1.00 0.00 N ATOM 300 CA VAL A 26 6.108 -0.975 -1.909 1.00 0.00 C ATOM 301 C VAL A 26 6.921 -0.112 -2.873 1.00 0.00 C ATOM 302 O VAL A 26 8.100 -0.374 -3.116 1.00 0.00 O ATOM 303 CB VAL A 26 6.487 -0.634 -0.448 1.00 0.00 C ATOM 304 CG1 VAL A 26 7.343 0.615 -0.377 1.00 0.00 C ATOM 305 CG2 VAL A 26 5.239 -0.462 0.397 1.00 0.00 C ATOM 0 H VAL A 26 6.723 -2.909 -1.403 1.00 0.00 H new ATOM 0 HA VAL A 26 5.049 -0.762 -2.053 1.00 0.00 H new ATOM 0 HB VAL A 26 7.070 -1.466 -0.053 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.592 0.827 0.663 1.00 0.00 H new ATOM 0 HG12 VAL A 26 8.260 0.460 -0.945 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.793 1.457 -0.797 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.523 -0.223 1.422 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.633 0.347 -0.010 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.663 -1.387 0.387 1.00 0.00 H new ATOM 315 N LEU A 27 6.282 0.915 -3.418 1.00 0.00 N ATOM 316 CA LEU A 27 6.938 1.816 -4.351 1.00 0.00 C ATOM 317 C LEU A 27 7.442 3.071 -3.644 1.00 0.00 C ATOM 318 O LEU A 27 8.541 3.547 -3.931 1.00 0.00 O ATOM 319 CB LEU A 27 5.989 2.187 -5.495 1.00 0.00 C ATOM 320 CG LEU A 27 5.520 1.010 -6.357 1.00 0.00 C ATOM 321 CD1 LEU A 27 4.584 1.488 -7.456 1.00 0.00 C ATOM 322 CD2 LEU A 27 6.709 0.275 -6.960 1.00 0.00 C ATOM 0 H LEU A 27 5.306 1.144 -3.228 1.00 0.00 H new ATOM 0 HA LEU A 27 7.801 1.298 -4.769 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.113 2.681 -5.074 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.486 2.913 -6.138 1.00 0.00 H new ATOM 0 HG LEU A 27 4.976 0.318 -5.715 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.263 0.637 -8.056 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.712 1.966 -7.009 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.105 2.204 -8.092 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.353 -0.557 -7.568 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.282 0.961 -7.584 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.345 -0.106 -6.161 1.00 0.00 H new ATOM 334 N ASP A 28 6.645 3.604 -2.712 1.00 0.00 N ATOM 335 CA ASP A 28 7.050 4.806 -1.976 1.00 0.00 C ATOM 336 C ASP A 28 6.041 5.155 -0.875 1.00 0.00 C ATOM 337 O ASP A 28 5.479 4.267 -0.237 1.00 0.00 O ATOM 338 CB ASP A 28 7.211 5.985 -2.943 1.00 0.00 C ATOM 339 CG ASP A 28 8.251 6.988 -2.473 1.00 0.00 C ATOM 340 OD1 ASP A 28 8.112 7.514 -1.350 1.00 0.00 O ATOM 341 OD2 ASP A 28 9.208 7.246 -3.234 1.00 0.00 O ATOM 0 H ASP A 28 5.732 3.230 -2.453 1.00 0.00 H new ATOM 0 HA ASP A 28 8.008 4.602 -1.497 1.00 0.00 H new ATOM 0 HB2 ASP A 28 7.493 5.608 -3.926 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.252 6.489 -3.058 1.00 0.00 H new ATOM 346 N ARG A 29 5.828 6.455 -0.653 1.00 0.00 N ATOM 347 CA ARG A 29 4.902 6.927 0.376 1.00 0.00 C ATOM 348 C ARG A 29 4.651 8.427 0.227 1.00 0.00 C ATOM 349 O ARG A 29 5.542 9.171 -0.184 1.00 0.00 O ATOM 350 CB ARG A 29 5.462 6.639 1.769 1.00 0.00 C ATOM 351 CG ARG A 29 6.793 7.324 2.040 1.00 0.00 C ATOM 352 CD ARG A 29 7.210 7.180 3.494 1.00 0.00 C ATOM 353 NE ARG A 29 6.249 7.806 4.400 1.00 0.00 N ATOM 354 CZ ARG A 29 6.387 7.829 5.722 1.00 0.00 C ATOM 355 NH1 ARG A 29 7.439 7.258 6.293 1.00 0.00 N ATOM 356 NH2 ARG A 29 5.471 8.423 6.474 1.00 0.00 N ATOM 0 H ARG A 29 6.287 7.201 -1.175 1.00 0.00 H new ATOM 0 HA ARG A 29 3.959 6.396 0.252 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.738 6.961 2.517 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.585 5.562 1.887 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.561 6.895 1.396 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.717 8.381 1.786 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.307 6.123 3.741 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.192 7.632 3.637 1.00 0.00 H new ATOM 0 HE ARG A 29 5.425 8.251 3.995 1.00 0.00 H new ATOM 0 HH11 ARG A 29 8.145 6.799 5.718 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.542 7.278 7.308 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.660 8.862 6.038 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.577 8.441 7.488 1.00 0.00 H new ATOM 370 N ARG A 30 3.441 8.868 0.566 1.00 0.00 N ATOM 371 CA ARG A 30 3.096 10.286 0.467 1.00 0.00 C ATOM 372 C ARG A 30 1.967 10.658 1.426 1.00 0.00 C ATOM 373 O ARG A 30 0.993 9.919 1.571 1.00 0.00 O ATOM 374 CB ARG A 30 2.689 10.641 -0.965 1.00 0.00 C ATOM 375 CG ARG A 30 1.398 9.977 -1.414 1.00 0.00 C ATOM 376 CD ARG A 30 0.994 10.432 -2.807 1.00 0.00 C ATOM 377 NE ARG A 30 0.753 11.871 -2.855 1.00 0.00 N ATOM 378 CZ ARG A 30 0.401 12.526 -3.957 1.00 0.00 C ATOM 379 NH1 ARG A 30 0.249 11.872 -5.101 1.00 0.00 N ATOM 380 NH2 ARG A 30 0.199 13.835 -3.914 1.00 0.00 N ATOM 0 H ARG A 30 2.689 8.271 0.909 1.00 0.00 H new ATOM 0 HA ARG A 30 3.983 10.856 0.744 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.578 11.722 -1.045 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.491 10.352 -1.644 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.522 8.894 -1.405 1.00 0.00 H new ATOM 0 HG3 ARG A 30 0.602 10.212 -0.708 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.778 10.170 -3.517 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.094 9.901 -3.117 1.00 0.00 H new ATOM 0 HE ARG A 30 0.861 12.405 -1.993 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.402 10.864 -5.137 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.021 12.377 -5.945 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.314 14.340 -3.035 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.071 14.337 -4.760 1.00 0.00 H new ATOM 394 N VAL A 31 2.099 11.819 2.062 1.00 0.00 N ATOM 395 CA VAL A 31 1.084 12.306 2.989 1.00 0.00 C ATOM 396 C VAL A 31 0.023 13.113 2.243 1.00 0.00 C ATOM 397 O VAL A 31 0.348 13.905 1.358 1.00 0.00 O ATOM 398 CB VAL A 31 1.705 13.179 4.097 1.00 0.00 C ATOM 399 CG1 VAL A 31 0.634 13.662 5.062 1.00 0.00 C ATOM 400 CG2 VAL A 31 2.789 12.410 4.838 1.00 0.00 C ATOM 0 H VAL A 31 2.900 12.440 1.951 1.00 0.00 H new ATOM 0 HA VAL A 31 0.621 11.435 3.453 1.00 0.00 H new ATOM 0 HB VAL A 31 2.162 14.052 3.631 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.093 14.277 5.837 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.104 14.253 4.520 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.145 12.803 5.522 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.216 13.042 5.616 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.357 11.518 5.291 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.572 12.118 4.138 1.00 0.00 H new ATOM 410 N VAL A 32 -1.244 12.907 2.596 1.00 0.00 N ATOM 411 CA VAL A 32 -2.342 13.618 1.945 1.00 0.00 C ATOM 412 C VAL A 32 -2.632 14.950 2.632 1.00 0.00 C ATOM 413 O VAL A 32 -2.718 15.991 1.980 1.00 0.00 O ATOM 414 CB VAL A 32 -3.627 12.767 1.930 1.00 0.00 C ATOM 415 CG1 VAL A 32 -4.769 13.528 1.275 1.00 0.00 C ATOM 416 CG2 VAL A 32 -3.380 11.445 1.219 1.00 0.00 C ATOM 0 H VAL A 32 -1.535 12.257 3.326 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.027 13.810 0.919 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.911 12.554 2.961 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.666 12.909 1.275 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.961 14.445 1.831 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.499 13.776 0.248 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.297 10.856 1.217 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.070 11.637 0.192 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.596 10.894 1.738 1.00 0.00 H new ATOM 426 N LYS A 33 -2.786 14.901 3.950 1.00 0.00 N ATOM 427 CA LYS A 33 -3.074 16.091 4.744 1.00 0.00 C ATOM 428 C LYS A 33 -2.977 15.762 6.227 1.00 0.00 C ATOM 429 O LYS A 33 -3.816 16.173 7.029 1.00 0.00 O ATOM 430 CB LYS A 33 -4.470 16.627 4.412 1.00 0.00 C ATOM 431 CG LYS A 33 -5.576 15.595 4.578 1.00 0.00 C ATOM 432 CD LYS A 33 -6.934 16.168 4.206 1.00 0.00 C ATOM 433 CE LYS A 33 -8.034 15.129 4.350 1.00 0.00 C ATOM 434 NZ LYS A 33 -7.817 13.961 3.453 1.00 0.00 N ATOM 0 H LYS A 33 -2.716 14.042 4.496 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.340 16.860 4.503 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.683 17.482 5.054 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.475 16.990 3.384 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.362 14.728 3.953 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.598 15.246 5.611 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.155 17.025 4.842 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.908 16.532 3.179 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.078 14.789 5.385 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.997 15.586 4.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -8.689 13.396 3.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.565 14.296 2.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.046 13.373 3.829 1.00 0.00 H new ATOM 448 N GLY A 34 -1.947 15.000 6.575 1.00 0.00 N ATOM 449 CA GLY A 34 -1.745 14.593 7.950 1.00 0.00 C ATOM 450 C GLY A 34 -1.649 13.087 8.066 1.00 0.00 C ATOM 451 O GLY A 34 -0.950 12.559 8.931 1.00 0.00 O ATOM 0 H GLY A 34 -1.243 14.655 5.922 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.834 15.049 8.337 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.569 14.956 8.564 1.00 0.00 H new ATOM 455 N LYS A 35 -2.357 12.400 7.175 1.00 0.00 N ATOM 456 CA LYS A 35 -2.368 10.948 7.143 1.00 0.00 C ATOM 457 C LYS A 35 -1.109 10.417 6.478 1.00 0.00 C ATOM 458 O LYS A 35 -0.055 11.051 6.515 1.00 0.00 O ATOM 459 CB LYS A 35 -3.610 10.470 6.392 1.00 0.00 C ATOM 460 CG LYS A 35 -4.912 10.972 6.998 1.00 0.00 C ATOM 461 CD LYS A 35 -6.118 10.539 6.179 1.00 0.00 C ATOM 462 CE LYS A 35 -6.284 9.027 6.176 1.00 0.00 C ATOM 463 NZ LYS A 35 -7.473 8.600 5.388 1.00 0.00 N ATOM 0 H LYS A 35 -2.937 12.836 6.458 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.394 10.568 8.164 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.549 10.801 5.355 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.620 9.380 6.378 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.009 10.594 8.016 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.888 12.060 7.063 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -7.018 11.003 6.583 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.009 10.895 5.155 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.388 8.564 5.761 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.381 8.671 7.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.551 7.563 5.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -8.331 9.021 5.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.369 8.918 4.403 1.00 0.00 H new ATOM 477 N VAL A 36 -1.232 9.250 5.873 1.00 0.00 N ATOM 478 CA VAL A 36 -0.111 8.619 5.192 1.00 0.00 C ATOM 479 C VAL A 36 -0.582 7.463 4.313 1.00 0.00 C ATOM 480 O VAL A 36 -1.418 6.658 4.723 1.00 0.00 O ATOM 481 CB VAL A 36 0.939 8.108 6.197 1.00 0.00 C ATOM 482 CG1 VAL A 36 0.322 7.101 7.154 1.00 0.00 C ATOM 483 CG2 VAL A 36 2.132 7.505 5.470 1.00 0.00 C ATOM 0 H VAL A 36 -2.100 8.716 5.838 1.00 0.00 H new ATOM 0 HA VAL A 36 0.350 9.379 4.561 1.00 0.00 H new ATOM 0 HB VAL A 36 1.293 8.957 6.781 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.081 6.753 7.855 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.491 7.573 7.705 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.066 6.253 6.590 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.861 7.151 6.199 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.799 6.670 4.854 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.592 8.262 4.835 1.00 0.00 H new ATOM 493 N GLU A 37 -0.041 7.396 3.101 1.00 0.00 N ATOM 494 CA GLU A 37 -0.401 6.345 2.154 1.00 0.00 C ATOM 495 C GLU A 37 0.804 5.939 1.312 1.00 0.00 C ATOM 496 O GLU A 37 1.472 6.783 0.715 1.00 0.00 O ATOM 497 CB GLU A 37 -1.535 6.819 1.242 1.00 0.00 C ATOM 498 CG GLU A 37 -1.196 8.072 0.453 1.00 0.00 C ATOM 499 CD GLU A 37 -2.356 8.567 -0.390 1.00 0.00 C ATOM 500 OE1 GLU A 37 -3.434 7.938 -0.346 1.00 0.00 O ATOM 501 OE2 GLU A 37 -2.185 9.584 -1.093 1.00 0.00 O ATOM 0 H GLU A 37 0.650 8.059 2.750 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.737 5.477 2.721 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.789 6.019 0.546 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.422 7.009 1.847 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.892 8.859 1.143 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.343 7.869 -0.194 1.00 0.00 H new ATOM 508 N TYR A 38 1.075 4.642 1.274 1.00 0.00 N ATOM 509 CA TYR A 38 2.198 4.109 0.507 1.00 0.00 C ATOM 510 C TYR A 38 1.741 3.569 -0.842 1.00 0.00 C ATOM 511 O TYR A 38 0.665 2.983 -0.953 1.00 0.00 O ATOM 512 CB TYR A 38 2.910 2.998 1.286 1.00 0.00 C ATOM 513 CG TYR A 38 3.792 3.498 2.407 1.00 0.00 C ATOM 514 CD1 TYR A 38 3.294 4.334 3.398 1.00 0.00 C ATOM 515 CD2 TYR A 38 5.131 3.128 2.472 1.00 0.00 C ATOM 516 CE1 TYR A 38 4.104 4.788 4.420 1.00 0.00 C ATOM 517 CE2 TYR A 38 5.948 3.576 3.490 1.00 0.00 C ATOM 518 CZ TYR A 38 5.431 4.406 4.463 1.00 0.00 C ATOM 519 OH TYR A 38 6.240 4.855 5.481 1.00 0.00 O ATOM 0 H TYR A 38 0.531 3.934 1.767 1.00 0.00 H new ATOM 0 HA TYR A 38 2.893 4.931 0.337 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.162 2.323 1.701 1.00 0.00 H new ATOM 0 HB3 TYR A 38 3.517 2.415 0.593 1.00 0.00 H new ATOM 0 HD1 TYR A 38 2.257 4.634 3.369 1.00 0.00 H new ATOM 0 HD2 TYR A 38 5.539 2.478 1.712 1.00 0.00 H new ATOM 0 HE1 TYR A 38 3.702 5.439 5.182 1.00 0.00 H new ATOM 0 HE2 TYR A 38 6.986 3.279 3.525 1.00 0.00 H new ATOM 0 HH TYR A 38 7.143 4.493 5.365 1.00 0.00 H new ATOM 529 N LEU A 39 2.572 3.757 -1.861 1.00 0.00 N ATOM 530 CA LEU A 39 2.264 3.268 -3.199 1.00 0.00 C ATOM 531 C LEU A 39 2.645 1.797 -3.313 1.00 0.00 C ATOM 532 O LEU A 39 3.675 1.387 -2.790 1.00 0.00 O ATOM 533 CB LEU A 39 3.013 4.085 -4.254 1.00 0.00 C ATOM 534 CG LEU A 39 2.687 3.719 -5.702 1.00 0.00 C ATOM 535 CD1 LEU A 39 1.186 3.723 -5.922 1.00 0.00 C ATOM 536 CD2 LEU A 39 3.374 4.676 -6.665 1.00 0.00 C ATOM 0 H LEU A 39 3.465 4.245 -1.786 1.00 0.00 H new ATOM 0 HA LEU A 39 1.193 3.376 -3.372 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.788 5.141 -4.102 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.084 3.961 -4.096 1.00 0.00 H new ATOM 0 HG LEU A 39 3.062 2.714 -5.897 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.969 3.461 -6.958 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.719 2.996 -5.258 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.790 4.716 -5.709 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.129 4.398 -7.690 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.032 5.693 -6.473 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.453 4.623 -6.523 1.00 0.00 H new ATOM 548 N LEU A 40 1.816 1.002 -3.988 1.00 0.00 N ATOM 549 CA LEU A 40 2.100 -0.425 -4.143 1.00 0.00 C ATOM 550 C LEU A 40 1.431 -1.004 -5.383 1.00 0.00 C ATOM 551 O LEU A 40 0.256 -0.749 -5.644 1.00 0.00 O ATOM 552 CB LEU A 40 1.628 -1.215 -2.916 1.00 0.00 C ATOM 553 CG LEU A 40 2.251 -0.803 -1.583 1.00 0.00 C ATOM 554 CD1 LEU A 40 1.373 0.206 -0.877 1.00 0.00 C ATOM 555 CD2 LEU A 40 2.478 -2.011 -0.694 1.00 0.00 C ATOM 0 H LEU A 40 0.953 1.316 -4.431 1.00 0.00 H new ATOM 0 HA LEU A 40 3.181 -0.517 -4.249 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.546 -1.115 -2.837 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.839 -2.271 -3.084 1.00 0.00 H new ATOM 0 HG LEU A 40 3.217 -0.343 -1.791 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.832 0.488 0.070 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.260 1.091 -1.503 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.393 -0.233 -0.689 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.922 -1.691 0.248 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.525 -2.502 -0.498 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.150 -2.709 -1.193 1.00 0.00 H new ATOM 567 N LYS A 41 2.182 -1.811 -6.128 1.00 0.00 N ATOM 568 CA LYS A 41 1.655 -2.460 -7.323 1.00 0.00 C ATOM 569 C LYS A 41 0.777 -3.639 -6.920 1.00 0.00 C ATOM 570 O LYS A 41 1.199 -4.491 -6.137 1.00 0.00 O ATOM 571 CB LYS A 41 2.799 -2.935 -8.224 1.00 0.00 C ATOM 572 CG LYS A 41 2.334 -3.697 -9.456 1.00 0.00 C ATOM 573 CD LYS A 41 1.444 -2.843 -10.346 1.00 0.00 C ATOM 574 CE LYS A 41 0.981 -3.611 -11.573 1.00 0.00 C ATOM 575 NZ LYS A 41 0.219 -4.837 -11.208 1.00 0.00 N ATOM 0 H LYS A 41 3.157 -2.030 -5.924 1.00 0.00 H new ATOM 0 HA LYS A 41 1.056 -1.741 -7.881 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.382 -2.070 -8.541 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.465 -3.573 -7.644 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.201 -4.033 -10.024 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.790 -4.590 -9.147 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.577 -2.505 -9.778 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.988 -1.951 -10.658 1.00 0.00 H new ATOM 0 HE2 LYS A 41 0.356 -2.966 -12.190 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.846 -3.888 -12.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.290 -5.191 -12.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.878 -5.567 -10.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.464 -4.611 -10.457 1.00 0.00 H new ATOM 589 N TRP A 42 -0.446 -3.679 -7.436 1.00 0.00 N ATOM 590 CA TRP A 42 -1.369 -4.755 -7.095 1.00 0.00 C ATOM 591 C TRP A 42 -1.535 -5.737 -8.251 1.00 0.00 C ATOM 592 O TRP A 42 -1.780 -5.342 -9.391 1.00 0.00 O ATOM 593 CB TRP A 42 -2.716 -4.167 -6.667 1.00 0.00 C ATOM 594 CG TRP A 42 -2.548 -3.037 -5.698 1.00 0.00 C ATOM 595 CD1 TRP A 42 -2.565 -1.699 -5.983 1.00 0.00 C ATOM 596 CD2 TRP A 42 -2.288 -3.144 -4.293 1.00 0.00 C ATOM 597 NE1 TRP A 42 -2.337 -0.974 -4.839 1.00 0.00 N ATOM 598 CE2 TRP A 42 -2.166 -1.837 -3.792 1.00 0.00 C ATOM 599 CE3 TRP A 42 -2.151 -4.217 -3.410 1.00 0.00 C ATOM 600 CZ2 TRP A 42 -1.911 -1.575 -2.451 1.00 0.00 C ATOM 601 CZ3 TRP A 42 -1.899 -3.955 -2.076 1.00 0.00 C ATOM 602 CH2 TRP A 42 -1.781 -2.642 -1.608 1.00 0.00 C ATOM 0 H TRP A 42 -0.819 -2.987 -8.085 1.00 0.00 H new ATOM 0 HA TRP A 42 -0.951 -5.317 -6.259 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -3.254 -3.814 -7.547 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -3.325 -4.948 -6.212 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -2.733 -1.276 -6.962 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.301 0.044 -4.780 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -2.240 -5.234 -3.763 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -1.819 -0.562 -2.088 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -1.792 -4.777 -1.384 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -1.583 -2.469 -0.560 1.00 0.00 H new ATOM 613 N LYS A 43 -1.385 -7.020 -7.938 1.00 0.00 N ATOM 614 CA LYS A 43 -1.496 -8.087 -8.930 1.00 0.00 C ATOM 615 C LYS A 43 -2.842 -8.053 -9.648 1.00 0.00 C ATOM 616 O LYS A 43 -3.872 -7.744 -9.049 1.00 0.00 O ATOM 617 CB LYS A 43 -1.301 -9.448 -8.257 1.00 0.00 C ATOM 618 CG LYS A 43 -1.380 -10.626 -9.214 1.00 0.00 C ATOM 619 CD LYS A 43 -1.235 -11.950 -8.479 1.00 0.00 C ATOM 620 CE LYS A 43 -1.305 -13.130 -9.435 1.00 0.00 C ATOM 621 NZ LYS A 43 -0.213 -13.092 -10.446 1.00 0.00 N ATOM 0 H LYS A 43 -1.184 -7.350 -6.994 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.716 -7.930 -9.675 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.331 -9.461 -7.760 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.058 -9.571 -7.482 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.333 -10.604 -9.742 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.596 -10.538 -9.967 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.285 -11.969 -7.946 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.022 -12.040 -7.731 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.243 -14.060 -8.869 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.270 -13.129 -9.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.159 -14.009 -10.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.408 -12.343 -11.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.692 -12.898 -9.972 1.00 0.00 H new ATOM 635 N GLY A 44 -2.820 -8.384 -10.938 1.00 0.00 N ATOM 636 CA GLY A 44 -4.036 -8.398 -11.729 1.00 0.00 C ATOM 637 C GLY A 44 -4.434 -7.022 -12.225 1.00 0.00 C ATOM 638 O GLY A 44 -4.747 -6.849 -13.403 1.00 0.00 O ATOM 0 H GLY A 44 -1.976 -8.644 -11.449 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -3.900 -9.061 -12.583 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.848 -8.812 -11.131 1.00 0.00 H new ATOM 642 N PHE A 45 -4.425 -6.042 -11.328 1.00 0.00 N ATOM 643 CA PHE A 45 -4.790 -4.677 -11.689 1.00 0.00 C ATOM 644 C PHE A 45 -3.754 -4.070 -12.630 1.00 0.00 C ATOM 645 O PHE A 45 -2.562 -4.364 -12.529 1.00 0.00 O ATOM 646 CB PHE A 45 -4.944 -3.802 -10.439 1.00 0.00 C ATOM 647 CG PHE A 45 -6.032 -4.259 -9.502 1.00 0.00 C ATOM 648 CD1 PHE A 45 -6.018 -5.535 -8.958 1.00 0.00 C ATOM 649 CD2 PHE A 45 -7.071 -3.406 -9.161 1.00 0.00 C ATOM 650 CE1 PHE A 45 -7.016 -5.950 -8.096 1.00 0.00 C ATOM 651 CE2 PHE A 45 -8.071 -3.815 -8.300 1.00 0.00 C ATOM 652 CZ PHE A 45 -8.044 -5.089 -7.767 1.00 0.00 C ATOM 0 H PHE A 45 -4.170 -6.167 -10.348 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.749 -4.715 -12.205 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.997 -3.787 -9.900 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.151 -2.778 -10.748 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.217 -6.213 -9.211 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -7.099 -2.409 -9.574 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -6.992 -6.947 -7.680 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -8.873 -3.139 -8.044 1.00 0.00 H new ATOM 0 HZ PHE A 45 -8.825 -5.411 -7.094 1.00 0.00 H new ATOM 662 N SER A 46 -4.222 -3.229 -13.548 1.00 0.00 N ATOM 663 CA SER A 46 -3.349 -2.578 -14.521 1.00 0.00 C ATOM 664 C SER A 46 -2.136 -1.944 -13.840 1.00 0.00 C ATOM 665 O SER A 46 -2.201 -1.553 -12.676 1.00 0.00 O ATOM 666 CB SER A 46 -4.127 -1.516 -15.296 1.00 0.00 C ATOM 667 OG SER A 46 -5.234 -2.087 -15.972 1.00 0.00 O ATOM 0 H SER A 46 -5.207 -2.981 -13.639 1.00 0.00 H new ATOM 0 HA SER A 46 -2.990 -3.339 -15.214 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.475 -0.743 -14.611 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.468 -1.031 -16.016 1.00 0.00 H new ATOM 0 HG SER A 46 -5.717 -1.387 -16.459 1.00 0.00 H new ATOM 673 N ASP A 47 -1.030 -1.857 -14.575 1.00 0.00 N ATOM 674 CA ASP A 47 0.202 -1.280 -14.042 1.00 0.00 C ATOM 675 C ASP A 47 -0.033 0.132 -13.516 1.00 0.00 C ATOM 676 O ASP A 47 0.257 0.421 -12.357 1.00 0.00 O ATOM 677 CB ASP A 47 1.293 -1.268 -15.117 1.00 0.00 C ATOM 678 CG ASP A 47 0.880 -0.506 -16.361 1.00 0.00 C ATOM 679 OD1 ASP A 47 -0.121 -0.901 -16.994 1.00 0.00 O ATOM 680 OD2 ASP A 47 1.560 0.485 -16.703 1.00 0.00 O ATOM 0 H ASP A 47 -0.961 -2.178 -15.541 1.00 0.00 H new ATOM 0 HA ASP A 47 0.531 -1.902 -13.209 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.198 -0.821 -14.706 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.540 -2.294 -15.390 1.00 0.00 H new ATOM 685 N GLU A 48 -0.562 1.008 -14.364 1.00 0.00 N ATOM 686 CA GLU A 48 -0.830 2.379 -13.962 1.00 0.00 C ATOM 687 C GLU A 48 -1.955 2.439 -12.933 1.00 0.00 C ATOM 688 O GLU A 48 -2.191 3.481 -12.322 1.00 0.00 O ATOM 689 CB GLU A 48 -1.175 3.249 -15.175 1.00 0.00 C ATOM 690 CG GLU A 48 -2.315 2.717 -16.028 1.00 0.00 C ATOM 691 CD GLU A 48 -1.893 1.566 -16.919 1.00 0.00 C ATOM 692 OE1 GLU A 48 -0.975 1.760 -17.745 1.00 0.00 O ATOM 693 OE2 GLU A 48 -2.479 0.472 -16.795 1.00 0.00 O ATOM 0 H GLU A 48 -0.812 0.792 -15.329 1.00 0.00 H new ATOM 0 HA GLU A 48 0.078 2.771 -13.503 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.434 4.249 -14.827 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.287 3.349 -15.799 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.127 2.389 -15.378 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.708 3.524 -16.646 1.00 0.00 H new ATOM 700 N ASP A 49 -2.647 1.317 -12.745 1.00 0.00 N ATOM 701 CA ASP A 49 -3.748 1.254 -11.787 1.00 0.00 C ATOM 702 C ASP A 49 -3.229 1.197 -10.349 1.00 0.00 C ATOM 703 O ASP A 49 -3.918 0.711 -9.452 1.00 0.00 O ATOM 704 CB ASP A 49 -4.628 0.033 -12.064 1.00 0.00 C ATOM 705 CG ASP A 49 -5.933 0.076 -11.294 1.00 0.00 C ATOM 706 OD1 ASP A 49 -6.721 1.022 -11.512 1.00 0.00 O ATOM 707 OD2 ASP A 49 -6.168 -0.833 -10.473 1.00 0.00 O ATOM 0 H ASP A 49 -2.466 0.444 -13.240 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.341 2.161 -11.905 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.841 -0.024 -13.132 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.082 -0.873 -11.799 1.00 0.00 H new ATOM 712 N ASN A 50 -2.020 1.707 -10.129 1.00 0.00 N ATOM 713 CA ASN A 50 -1.434 1.719 -8.795 1.00 0.00 C ATOM 714 C ASN A 50 -2.265 2.586 -7.856 1.00 0.00 C ATOM 715 O ASN A 50 -2.741 3.653 -8.242 1.00 0.00 O ATOM 716 CB ASN A 50 0.010 2.226 -8.846 1.00 0.00 C ATOM 717 CG ASN A 50 0.963 1.213 -9.452 1.00 0.00 C ATOM 718 OD1 ASN A 50 1.111 0.103 -8.943 1.00 0.00 O ATOM 719 ND2 ASN A 50 1.615 1.589 -10.547 1.00 0.00 N ATOM 0 H ASN A 50 -1.431 2.115 -10.855 1.00 0.00 H new ATOM 0 HA ASN A 50 -1.429 0.698 -8.414 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.047 3.147 -9.427 1.00 0.00 H new ATOM 0 HB3 ASN A 50 0.341 2.472 -7.837 1.00 0.00 H new ATOM 0 HD21 ASN A 50 2.267 0.947 -10.998 1.00 0.00 H new ATOM 0 HD22 ASN A 50 1.463 2.519 -10.937 1.00 0.00 H new ATOM 726 N THR A 51 -2.446 2.116 -6.625 1.00 0.00 N ATOM 727 CA THR A 51 -3.232 2.850 -5.640 1.00 0.00 C ATOM 728 C THR A 51 -2.545 2.857 -4.278 1.00 0.00 C ATOM 729 O THR A 51 -2.185 1.805 -3.746 1.00 0.00 O ATOM 730 CB THR A 51 -4.639 2.239 -5.497 1.00 0.00 C ATOM 731 OG1 THR A 51 -5.312 2.257 -6.760 1.00 0.00 O ATOM 732 CG2 THR A 51 -5.463 3.000 -4.472 1.00 0.00 C ATOM 0 H THR A 51 -2.061 1.234 -6.287 1.00 0.00 H new ATOM 0 HA THR A 51 -3.319 3.877 -5.996 1.00 0.00 H new ATOM 0 HB THR A 51 -4.527 1.210 -5.157 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.205 1.865 -6.661 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.451 2.547 -4.391 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.965 2.960 -3.503 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.564 4.039 -4.785 1.00 0.00 H new ATOM 740 N TRP A 52 -2.364 4.051 -3.720 1.00 0.00 N ATOM 741 CA TRP A 52 -1.719 4.205 -2.426 1.00 0.00 C ATOM 742 C TRP A 52 -2.674 3.824 -1.299 1.00 0.00 C ATOM 743 O TRP A 52 -3.822 4.268 -1.271 1.00 0.00 O ATOM 744 CB TRP A 52 -1.241 5.645 -2.239 1.00 0.00 C ATOM 745 CG TRP A 52 -0.413 6.156 -3.382 1.00 0.00 C ATOM 746 CD1 TRP A 52 -0.787 6.271 -4.691 1.00 0.00 C ATOM 747 CD2 TRP A 52 0.939 6.611 -3.312 1.00 0.00 C ATOM 748 NE1 TRP A 52 0.255 6.768 -5.437 1.00 0.00 N ATOM 749 CE2 TRP A 52 1.324 6.989 -4.611 1.00 0.00 C ATOM 750 CE3 TRP A 52 1.860 6.735 -2.274 1.00 0.00 C ATOM 751 CZ2 TRP A 52 2.595 7.483 -4.896 1.00 0.00 C ATOM 752 CZ3 TRP A 52 3.118 7.225 -2.556 1.00 0.00 C ATOM 753 CH2 TRP A 52 3.477 7.595 -3.857 1.00 0.00 C ATOM 0 H TRP A 52 -2.658 4.928 -4.149 1.00 0.00 H new ATOM 0 HA TRP A 52 -0.858 3.538 -2.393 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -2.108 6.293 -2.111 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -0.657 5.709 -1.321 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -1.759 6.010 -5.082 1.00 0.00 H new ATOM 0 HE1 TRP A 52 0.235 6.943 -6.442 1.00 0.00 H new ATOM 0 HE3 TRP A 52 1.594 6.452 -1.266 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 2.873 7.767 -5.900 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 3.839 7.325 -1.758 1.00 0.00 H new ATOM 0 HH2 TRP A 52 4.470 7.976 -4.044 1.00 0.00 H new ATOM 764 N GLU A 53 -2.195 3.004 -0.372 1.00 0.00 N ATOM 765 CA GLU A 53 -3.011 2.569 0.754 1.00 0.00 C ATOM 766 C GLU A 53 -2.491 3.156 2.060 1.00 0.00 C ATOM 767 O GLU A 53 -1.287 3.341 2.227 1.00 0.00 O ATOM 768 CB GLU A 53 -3.031 1.045 0.847 1.00 0.00 C ATOM 769 CG GLU A 53 -3.449 0.368 -0.444 1.00 0.00 C ATOM 770 CD GLU A 53 -4.748 0.914 -0.995 1.00 0.00 C ATOM 771 OE1 GLU A 53 -5.749 0.921 -0.254 1.00 0.00 O ATOM 772 OE2 GLU A 53 -4.762 1.334 -2.170 1.00 0.00 O ATOM 0 H GLU A 53 -1.247 2.627 -0.378 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.027 2.928 0.588 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.039 0.693 1.129 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.713 0.746 1.643 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.662 0.495 -1.187 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.554 -0.703 -0.270 1.00 0.00 H new ATOM 779 N PRO A 54 -3.392 3.446 3.014 1.00 0.00 N ATOM 780 CA PRO A 54 -3.000 4.001 4.309 1.00 0.00 C ATOM 781 C PRO A 54 -2.052 3.064 5.046 1.00 0.00 C ATOM 782 O PRO A 54 -2.264 1.852 5.069 1.00 0.00 O ATOM 783 CB PRO A 54 -4.319 4.136 5.075 1.00 0.00 C ATOM 784 CG PRO A 54 -5.396 4.061 4.045 1.00 0.00 C ATOM 785 CD PRO A 54 -4.848 3.241 2.913 1.00 0.00 C ATOM 0 HA PRO A 54 -2.470 4.948 4.206 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -4.427 3.340 5.812 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.361 5.081 5.617 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -6.295 3.602 4.457 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.675 5.057 3.702 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -5.113 2.189 3.014 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.235 3.576 1.951 1.00 0.00 H new ATOM 793 N GLU A 55 -1.003 3.627 5.635 1.00 0.00 N ATOM 794 CA GLU A 55 -0.017 2.836 6.361 1.00 0.00 C ATOM 795 C GLU A 55 -0.683 1.916 7.381 1.00 0.00 C ATOM 796 O GLU A 55 -0.309 0.749 7.513 1.00 0.00 O ATOM 797 CB GLU A 55 0.992 3.754 7.053 1.00 0.00 C ATOM 798 CG GLU A 55 1.997 3.014 7.919 1.00 0.00 C ATOM 799 CD GLU A 55 2.724 1.919 7.163 1.00 0.00 C ATOM 800 OE1 GLU A 55 3.415 2.238 6.172 1.00 0.00 O ATOM 801 OE2 GLU A 55 2.597 0.742 7.560 1.00 0.00 O ATOM 0 H GLU A 55 -0.814 4.629 5.624 1.00 0.00 H new ATOM 0 HA GLU A 55 0.508 2.210 5.639 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.529 4.325 6.296 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.453 4.472 7.671 1.00 0.00 H new ATOM 0 HG2 GLU A 55 2.725 3.724 8.312 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.482 2.579 8.775 1.00 0.00 H new ATOM 808 N GLU A 56 -1.671 2.441 8.098 1.00 0.00 N ATOM 809 CA GLU A 56 -2.386 1.657 9.101 1.00 0.00 C ATOM 810 C GLU A 56 -3.090 0.464 8.456 1.00 0.00 C ATOM 811 O GLU A 56 -3.055 -0.649 8.984 1.00 0.00 O ATOM 812 CB GLU A 56 -3.403 2.533 9.836 1.00 0.00 C ATOM 813 CG GLU A 56 -4.408 3.205 8.916 1.00 0.00 C ATOM 814 CD GLU A 56 -5.402 4.068 9.668 1.00 0.00 C ATOM 815 OE1 GLU A 56 -6.125 3.527 10.531 1.00 0.00 O ATOM 816 OE2 GLU A 56 -5.456 5.286 9.394 1.00 0.00 O ATOM 0 H GLU A 56 -1.995 3.404 8.004 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.659 1.281 9.820 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.940 1.921 10.561 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.870 3.299 10.399 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.876 3.819 8.190 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.947 2.442 8.354 1.00 0.00 H new ATOM 823 N ASN A 57 -3.723 0.704 7.311 1.00 0.00 N ATOM 824 CA ASN A 57 -4.433 -0.345 6.586 1.00 0.00 C ATOM 825 C ASN A 57 -3.477 -1.456 6.166 1.00 0.00 C ATOM 826 O ASN A 57 -3.845 -2.630 6.141 1.00 0.00 O ATOM 827 CB ASN A 57 -5.124 0.238 5.350 1.00 0.00 C ATOM 828 CG ASN A 57 -6.201 1.245 5.710 1.00 0.00 C ATOM 829 OD1 ASN A 57 -5.987 2.133 6.533 1.00 0.00 O ATOM 830 ND2 ASN A 57 -7.362 1.123 5.077 1.00 0.00 N ATOM 0 H ASN A 57 -3.759 1.620 6.864 1.00 0.00 H new ATOM 0 HA ASN A 57 -5.186 -0.767 7.252 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.380 0.718 4.714 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.567 -0.571 4.769 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -8.118 1.781 5.267 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.498 0.371 4.401 1.00 0.00 H new ATOM 837 N LEU A 58 -2.251 -1.071 5.823 1.00 0.00 N ATOM 838 CA LEU A 58 -1.237 -2.026 5.388 1.00 0.00 C ATOM 839 C LEU A 58 -1.025 -3.124 6.427 1.00 0.00 C ATOM 840 O LEU A 58 -1.119 -2.884 7.631 1.00 0.00 O ATOM 841 CB LEU A 58 0.090 -1.312 5.118 1.00 0.00 C ATOM 842 CG LEU A 58 -0.004 -0.057 4.246 1.00 0.00 C ATOM 843 CD1 LEU A 58 1.384 0.455 3.901 1.00 0.00 C ATOM 844 CD2 LEU A 58 -0.798 -0.333 2.979 1.00 0.00 C ATOM 0 H LEU A 58 -1.935 -0.101 5.838 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.594 -2.487 4.467 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.536 -1.037 6.074 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.771 -2.016 4.639 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.528 0.712 4.814 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.299 1.347 3.281 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.920 0.700 4.818 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.931 -0.315 3.356 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.850 0.574 2.377 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.308 -1.120 2.407 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.806 -0.651 3.244 1.00 0.00 H new ATOM 856 N ASP A 59 -0.730 -4.328 5.945 1.00 0.00 N ATOM 857 CA ASP A 59 -0.492 -5.472 6.818 1.00 0.00 C ATOM 858 C ASP A 59 0.673 -6.299 6.277 1.00 0.00 C ATOM 859 O ASP A 59 0.560 -7.508 6.076 1.00 0.00 O ATOM 860 CB ASP A 59 -1.756 -6.332 6.934 1.00 0.00 C ATOM 861 CG ASP A 59 -1.682 -7.334 8.072 1.00 0.00 C ATOM 862 OD1 ASP A 59 -0.784 -8.201 8.049 1.00 0.00 O ATOM 863 OD2 ASP A 59 -2.526 -7.250 8.989 1.00 0.00 O ATOM 0 H ASP A 59 -0.650 -4.537 4.950 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.236 -5.111 7.814 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.619 -5.683 7.082 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.915 -6.865 5.996 1.00 0.00 H new ATOM 868 N CYS A 60 1.790 -5.622 6.031 1.00 0.00 N ATOM 869 CA CYS A 60 2.987 -6.267 5.503 1.00 0.00 C ATOM 870 C CYS A 60 4.203 -5.351 5.649 1.00 0.00 C ATOM 871 O CYS A 60 4.829 -4.974 4.659 1.00 0.00 O ATOM 872 CB CYS A 60 2.784 -6.642 4.033 1.00 0.00 C ATOM 873 SG CYS A 60 2.363 -5.246 2.965 1.00 0.00 S ATOM 0 H CYS A 60 1.891 -4.620 6.190 1.00 0.00 H new ATOM 0 HA CYS A 60 3.168 -7.176 6.077 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.695 -7.109 3.659 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.992 -7.388 3.966 1.00 0.00 H new ATOM 0 HG CYS A 60 3.244 -4.302 3.117 1.00 0.00 H new ATOM 879 N PRO A 61 4.551 -4.978 6.898 1.00 0.00 N ATOM 880 CA PRO A 61 5.694 -4.100 7.175 1.00 0.00 C ATOM 881 C PRO A 61 6.971 -4.568 6.489 1.00 0.00 C ATOM 882 O PRO A 61 7.862 -3.767 6.210 1.00 0.00 O ATOM 883 CB PRO A 61 5.846 -4.183 8.695 1.00 0.00 C ATOM 884 CG PRO A 61 4.484 -4.516 9.194 1.00 0.00 C ATOM 885 CD PRO A 61 3.856 -5.382 8.137 1.00 0.00 C ATOM 0 HA PRO A 61 5.527 -3.090 6.802 1.00 0.00 H new ATOM 0 HB2 PRO A 61 6.570 -4.947 8.979 1.00 0.00 H new ATOM 0 HB3 PRO A 61 6.200 -3.239 9.110 1.00 0.00 H new ATOM 0 HG2 PRO A 61 4.535 -5.040 10.148 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.897 -3.612 9.358 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.999 -6.441 8.350 1.00 0.00 H new ATOM 0 HD3 PRO A 61 2.781 -5.213 8.067 1.00 0.00 H new ATOM 893 N ASP A 62 7.056 -5.869 6.226 1.00 0.00 N ATOM 894 CA ASP A 62 8.229 -6.446 5.577 1.00 0.00 C ATOM 895 C ASP A 62 8.582 -5.683 4.301 1.00 0.00 C ATOM 896 O ASP A 62 9.752 -5.392 4.051 1.00 0.00 O ATOM 897 CB ASP A 62 7.985 -7.922 5.259 1.00 0.00 C ATOM 898 CG ASP A 62 9.199 -8.597 4.650 1.00 0.00 C ATOM 899 OD1 ASP A 62 9.619 -8.185 3.548 1.00 0.00 O ATOM 900 OD2 ASP A 62 9.731 -9.538 5.276 1.00 0.00 O ATOM 0 H ASP A 62 6.326 -6.544 6.453 1.00 0.00 H new ATOM 0 HA ASP A 62 9.071 -6.365 6.265 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.704 -8.445 6.173 1.00 0.00 H new ATOM 0 HB3 ASP A 62 7.144 -8.007 4.571 1.00 0.00 H new ATOM 905 N LEU A 63 7.570 -5.351 3.502 1.00 0.00 N ATOM 906 CA LEU A 63 7.793 -4.613 2.267 1.00 0.00 C ATOM 907 C LEU A 63 8.262 -3.201 2.581 1.00 0.00 C ATOM 908 O LEU A 63 9.158 -2.672 1.924 1.00 0.00 O ATOM 909 CB LEU A 63 6.517 -4.560 1.430 1.00 0.00 C ATOM 910 CG LEU A 63 5.910 -5.920 1.082 1.00 0.00 C ATOM 911 CD1 LEU A 63 4.644 -5.731 0.273 1.00 0.00 C ATOM 912 CD2 LEU A 63 6.903 -6.778 0.314 1.00 0.00 C ATOM 0 H LEU A 63 6.594 -5.581 3.689 1.00 0.00 H new ATOM 0 HA LEU A 63 8.563 -5.129 1.694 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.772 -3.975 1.969 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.731 -4.028 0.503 1.00 0.00 H new ATOM 0 HG LEU A 63 5.665 -6.435 2.011 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.219 -6.705 0.030 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.923 -5.155 0.854 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.877 -5.197 -0.648 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.447 -7.740 0.079 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.182 -6.273 -0.611 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.793 -6.938 0.923 1.00 0.00 H new ATOM 924 N ILE A 64 7.651 -2.604 3.599 1.00 0.00 N ATOM 925 CA ILE A 64 8.006 -1.258 4.020 1.00 0.00 C ATOM 926 C ILE A 64 9.496 -1.185 4.324 1.00 0.00 C ATOM 927 O ILE A 64 10.178 -0.244 3.919 1.00 0.00 O ATOM 928 CB ILE A 64 7.205 -0.832 5.265 1.00 0.00 C ATOM 929 CG1 ILE A 64 5.705 -0.953 4.986 1.00 0.00 C ATOM 930 CG2 ILE A 64 7.567 0.591 5.667 1.00 0.00 C ATOM 931 CD1 ILE A 64 4.836 -0.686 6.196 1.00 0.00 C ATOM 0 H ILE A 64 6.906 -3.034 4.147 1.00 0.00 H new ATOM 0 HA ILE A 64 7.763 -0.576 3.205 1.00 0.00 H new ATOM 0 HB ILE A 64 7.459 -1.493 6.094 1.00 0.00 H new ATOM 0 HG12 ILE A 64 5.434 -0.254 4.194 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.494 -1.955 4.612 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.993 0.877 6.548 1.00 0.00 H new ATOM 0 HG22 ILE A 64 8.632 0.645 5.894 1.00 0.00 H new ATOM 0 HG23 ILE A 64 7.336 1.271 4.847 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.787 -0.790 5.920 1.00 0.00 H new ATOM 0 HD12 ILE A 64 5.078 -1.401 6.982 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.017 0.326 6.558 1.00 0.00 H new ATOM 943 N ALA A 65 9.999 -2.200 5.019 1.00 0.00 N ATOM 944 CA ALA A 65 11.413 -2.267 5.355 1.00 0.00 C ATOM 945 C ALA A 65 12.244 -2.357 4.083 1.00 0.00 C ATOM 946 O ALA A 65 13.280 -1.704 3.956 1.00 0.00 O ATOM 947 CB ALA A 65 11.688 -3.460 6.260 1.00 0.00 C ATOM 0 H ALA A 65 9.447 -2.987 5.360 1.00 0.00 H new ATOM 0 HA ALA A 65 11.692 -1.361 5.892 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.750 -3.496 6.502 1.00 0.00 H new ATOM 0 HB2 ALA A 65 11.110 -3.361 7.179 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.401 -4.379 5.748 1.00 0.00 H new ATOM 953 N GLU A 66 11.767 -3.163 3.136 1.00 0.00 N ATOM 954 CA GLU A 66 12.444 -3.337 1.856 1.00 0.00 C ATOM 955 C GLU A 66 12.626 -1.990 1.166 1.00 0.00 C ATOM 956 O GLU A 66 13.641 -1.740 0.515 1.00 0.00 O ATOM 957 CB GLU A 66 11.638 -4.281 0.956 1.00 0.00 C ATOM 958 CG GLU A 66 12.274 -4.517 -0.404 1.00 0.00 C ATOM 959 CD GLU A 66 11.454 -5.444 -1.278 1.00 0.00 C ATOM 960 OE1 GLU A 66 11.231 -6.603 -0.870 1.00 0.00 O ATOM 961 OE2 GLU A 66 11.032 -5.011 -2.372 1.00 0.00 O ATOM 0 H GLU A 66 10.910 -3.707 3.234 1.00 0.00 H new ATOM 0 HA GLU A 66 13.426 -3.774 2.039 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.519 -5.239 1.463 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.639 -3.869 0.814 1.00 0.00 H new ATOM 0 HG2 GLU A 66 12.400 -3.561 -0.913 1.00 0.00 H new ATOM 0 HG3 GLU A 66 13.270 -4.939 -0.267 1.00 0.00 H new ATOM 968 N PHE A 67 11.628 -1.131 1.324 1.00 0.00 N ATOM 969 CA PHE A 67 11.643 0.201 0.734 1.00 0.00 C ATOM 970 C PHE A 67 12.834 1.018 1.233 1.00 0.00 C ATOM 971 O PHE A 67 13.633 1.517 0.439 1.00 0.00 O ATOM 972 CB PHE A 67 10.331 0.907 1.080 1.00 0.00 C ATOM 973 CG PHE A 67 10.253 2.344 0.649 1.00 0.00 C ATOM 974 CD1 PHE A 67 10.599 2.729 -0.636 1.00 0.00 C ATOM 975 CD2 PHE A 67 9.822 3.310 1.541 1.00 0.00 C ATOM 976 CE1 PHE A 67 10.516 4.054 -1.021 1.00 0.00 C ATOM 977 CE2 PHE A 67 9.737 4.634 1.166 1.00 0.00 C ATOM 978 CZ PHE A 67 10.085 5.009 -0.118 1.00 0.00 C ATOM 0 H PHE A 67 10.787 -1.337 1.863 1.00 0.00 H new ATOM 0 HA PHE A 67 11.743 0.108 -0.347 1.00 0.00 H new ATOM 0 HB2 PHE A 67 9.508 0.360 0.620 1.00 0.00 H new ATOM 0 HB3 PHE A 67 10.182 0.858 2.159 1.00 0.00 H new ATOM 0 HD1 PHE A 67 10.937 1.987 -1.344 1.00 0.00 H new ATOM 0 HD2 PHE A 67 9.548 3.023 2.545 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.787 4.343 -2.026 1.00 0.00 H new ATOM 0 HE2 PHE A 67 9.399 5.376 1.874 1.00 0.00 H new ATOM 0 HZ PHE A 67 10.021 6.045 -0.416 1.00 0.00 H new ATOM 988 N LEU A 68 12.937 1.161 2.550 1.00 0.00 N ATOM 989 CA LEU A 68 14.011 1.924 3.163 1.00 0.00 C ATOM 990 C LEU A 68 15.380 1.300 2.900 1.00 0.00 C ATOM 991 O LEU A 68 16.384 2.011 2.854 1.00 0.00 O ATOM 992 CB LEU A 68 13.754 2.058 4.663 1.00 0.00 C ATOM 993 CG LEU A 68 12.567 2.955 5.033 1.00 0.00 C ATOM 994 CD1 LEU A 68 11.282 2.471 4.383 1.00 0.00 C ATOM 995 CD2 LEU A 68 12.392 3.010 6.534 1.00 0.00 C ATOM 0 H LEU A 68 12.281 0.753 3.216 1.00 0.00 H new ATOM 0 HA LEU A 68 14.024 2.915 2.709 1.00 0.00 H new ATOM 0 HB2 LEU A 68 13.585 1.065 5.079 1.00 0.00 H new ATOM 0 HB3 LEU A 68 14.652 2.453 5.138 1.00 0.00 H new ATOM 0 HG LEU A 68 12.783 3.956 4.660 1.00 0.00 H new ATOM 0 HD11 LEU A 68 10.461 3.129 4.666 1.00 0.00 H new ATOM 0 HD12 LEU A 68 11.397 2.480 3.299 1.00 0.00 H new ATOM 0 HD13 LEU A 68 11.065 1.456 4.717 1.00 0.00 H new ATOM 0 HD21 LEU A 68 11.545 3.651 6.778 1.00 0.00 H new ATOM 0 HD22 LEU A 68 12.209 2.006 6.916 1.00 0.00 H new ATOM 0 HD23 LEU A 68 13.296 3.413 6.991 1.00 0.00 H new ATOM 1007 N GLN A 69 15.421 -0.022 2.725 1.00 0.00 N ATOM 1008 CA GLN A 69 16.685 -0.709 2.460 1.00 0.00 C ATOM 1009 C GLN A 69 17.447 0.001 1.350 1.00 0.00 C ATOM 1010 O GLN A 69 18.655 0.216 1.449 1.00 0.00 O ATOM 1011 CB GLN A 69 16.446 -2.171 2.073 1.00 0.00 C ATOM 1012 CG GLN A 69 15.931 -3.029 3.215 1.00 0.00 C ATOM 1013 CD GLN A 69 15.834 -4.496 2.845 1.00 0.00 C ATOM 1014 OE1 GLN A 69 15.127 -4.868 1.910 1.00 0.00 O ATOM 1015 NE2 GLN A 69 16.550 -5.340 3.580 1.00 0.00 N ATOM 0 H GLN A 69 14.604 -0.632 2.761 1.00 0.00 H new ATOM 0 HA GLN A 69 17.278 -0.688 3.374 1.00 0.00 H new ATOM 0 HB2 GLN A 69 15.730 -2.208 1.252 1.00 0.00 H new ATOM 0 HB3 GLN A 69 17.379 -2.597 1.703 1.00 0.00 H new ATOM 0 HG2 GLN A 69 16.592 -2.918 4.075 1.00 0.00 H new ATOM 0 HG3 GLN A 69 14.948 -2.669 3.520 1.00 0.00 H new ATOM 0 HE21 GLN A 69 17.123 -4.989 4.347 1.00 0.00 H new ATOM 0 HE22 GLN A 69 16.526 -6.339 3.377 1.00 0.00 H new ATOM 1024 N SER A 70 16.725 0.382 0.302 1.00 0.00 N ATOM 1025 CA SER A 70 17.324 1.092 -0.820 1.00 0.00 C ATOM 1026 C SER A 70 17.804 2.464 -0.369 1.00 0.00 C ATOM 1027 O SER A 70 18.919 2.884 -0.682 1.00 0.00 O ATOM 1028 CB SER A 70 16.308 1.245 -1.952 1.00 0.00 C ATOM 1029 OG SER A 70 15.864 -0.018 -2.416 1.00 0.00 O ATOM 0 H SER A 70 15.724 0.211 0.207 1.00 0.00 H new ATOM 0 HA SER A 70 18.175 0.517 -1.185 1.00 0.00 H new ATOM 0 HB2 SER A 70 15.455 1.827 -1.603 1.00 0.00 H new ATOM 0 HB3 SER A 70 16.758 1.800 -2.775 1.00 0.00 H new ATOM 0 HG SER A 70 15.214 0.109 -3.138 1.00 0.00 H new ATOM 1035 N GLN A 71 16.947 3.156 0.372 1.00 0.00 N ATOM 1036 CA GLN A 71 17.258 4.484 0.880 1.00 0.00 C ATOM 1037 C GLN A 71 18.073 4.400 2.168 1.00 0.00 C ATOM 1038 O GLN A 71 17.754 5.056 3.159 1.00 0.00 O ATOM 1039 CB GLN A 71 15.962 5.258 1.114 1.00 0.00 C ATOM 1040 CG GLN A 71 15.111 5.384 -0.140 1.00 0.00 C ATOM 1041 CD GLN A 71 13.719 5.925 0.132 1.00 0.00 C ATOM 1042 OE1 GLN A 71 13.372 6.073 1.405 1.00 0.00 O flip ATOM 1043 NE2 GLN A 71 12.957 6.194 -0.796 1.00 0.00 N flip ATOM 0 H GLN A 71 16.023 2.814 0.636 1.00 0.00 H new ATOM 0 HA GLN A 71 17.861 5.010 0.140 1.00 0.00 H new ATOM 0 HB2 GLN A 71 15.383 4.759 1.891 1.00 0.00 H new ATOM 0 HB3 GLN A 71 16.202 6.254 1.485 1.00 0.00 H new ATOM 0 HG2 GLN A 71 15.616 6.040 -0.849 1.00 0.00 H new ATOM 0 HG3 GLN A 71 15.027 4.406 -0.614 1.00 0.00 H new ATOM 0 HE21 GLN A 71 13.263 6.066 -1.761 1.00 0.00 H new ATOM 0 HE22 GLN A 71 12.019 6.545 -0.601 1.00 0.00 H new ATOM 1052 N LYS A 72 19.125 3.588 2.142 1.00 0.00 N ATOM 1053 CA LYS A 72 19.990 3.417 3.304 1.00 0.00 C ATOM 1054 C LYS A 72 21.397 3.923 3.014 1.00 0.00 C ATOM 1055 O LYS A 72 21.997 4.612 3.840 1.00 0.00 O ATOM 1056 CB LYS A 72 20.026 1.952 3.725 1.00 0.00 C ATOM 1057 CG LYS A 72 20.969 1.669 4.883 1.00 0.00 C ATOM 1058 CD LYS A 72 20.988 0.191 5.238 1.00 0.00 C ATOM 1059 CE LYS A 72 21.960 -0.097 6.371 1.00 0.00 C ATOM 1060 NZ LYS A 72 21.593 0.631 7.616 1.00 0.00 N ATOM 0 H LYS A 72 19.399 3.038 1.328 1.00 0.00 H new ATOM 0 HA LYS A 72 19.581 4.007 4.124 1.00 0.00 H new ATOM 0 HB2 LYS A 72 19.020 1.639 4.003 1.00 0.00 H new ATOM 0 HB3 LYS A 72 20.324 1.345 2.870 1.00 0.00 H new ATOM 0 HG2 LYS A 72 21.976 1.994 4.621 1.00 0.00 H new ATOM 0 HG3 LYS A 72 20.663 2.249 5.753 1.00 0.00 H new ATOM 0 HD2 LYS A 72 19.986 -0.128 5.526 1.00 0.00 H new ATOM 0 HD3 LYS A 72 21.268 -0.392 4.360 1.00 0.00 H new ATOM 0 HE2 LYS A 72 21.979 -1.169 6.569 1.00 0.00 H new ATOM 0 HE3 LYS A 72 22.967 0.189 6.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 22.148 0.259 8.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 21.794 1.644 7.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 20.580 0.499 7.809 1.00 0.00 H new ATOM 1074 N THR A 73 21.915 3.597 1.830 1.00 0.00 N ATOM 1075 CA THR A 73 23.245 4.045 1.434 1.00 0.00 C ATOM 1076 C THR A 73 23.337 5.557 1.590 1.00 0.00 C ATOM 1077 O THR A 73 24.391 6.106 1.911 1.00 0.00 O ATOM 1078 CB THR A 73 23.568 3.656 -0.022 1.00 0.00 C ATOM 1079 OG1 THR A 73 24.856 4.164 -0.392 1.00 0.00 O ATOM 1080 CG2 THR A 73 22.512 4.193 -0.975 1.00 0.00 C ATOM 0 H THR A 73 21.435 3.027 1.133 1.00 0.00 H new ATOM 0 HA THR A 73 23.972 3.554 2.081 1.00 0.00 H new ATOM 0 HB THR A 73 23.574 2.568 -0.090 1.00 0.00 H new ATOM 0 HG1 THR A 73 25.054 3.911 -1.318 1.00 0.00 H new ATOM 0 HG21 THR A 73 22.763 3.905 -1.996 1.00 0.00 H new ATOM 0 HG22 THR A 73 21.539 3.780 -0.710 1.00 0.00 H new ATOM 0 HG23 THR A 73 22.476 5.280 -0.903 1.00 0.00 H new ATOM 1088 N ALA A 74 22.200 6.210 1.384 1.00 0.00 N ATOM 1089 CA ALA A 74 22.088 7.653 1.518 1.00 0.00 C ATOM 1090 C ALA A 74 20.843 7.983 2.332 1.00 0.00 C ATOM 1091 O ALA A 74 20.117 8.932 2.036 1.00 0.00 O ATOM 1092 CB ALA A 74 22.031 8.316 0.150 1.00 0.00 C ATOM 0 H ALA A 74 21.329 5.751 1.119 1.00 0.00 H new ATOM 0 HA ALA A 74 22.967 8.038 2.035 1.00 0.00 H new ATOM 0 HB1 ALA A 74 21.947 9.396 0.272 1.00 0.00 H new ATOM 0 HB2 ALA A 74 22.940 8.083 -0.405 1.00 0.00 H new ATOM 0 HB3 ALA A 74 21.165 7.945 -0.398 1.00 0.00 H new ATOM 1098 N HIS A 75 20.603 7.164 3.354 1.00 0.00 N ATOM 1099 CA HIS A 75 19.449 7.319 4.229 1.00 0.00 C ATOM 1100 C HIS A 75 19.385 8.723 4.826 1.00 0.00 C ATOM 1101 O HIS A 75 18.302 9.286 4.992 1.00 0.00 O ATOM 1102 CB HIS A 75 19.497 6.277 5.348 1.00 0.00 C ATOM 1103 CG HIS A 75 18.366 6.390 6.324 1.00 0.00 C ATOM 1104 ND1 HIS A 75 17.043 6.272 5.956 1.00 0.00 N ATOM 1105 CD2 HIS A 75 18.366 6.609 7.660 1.00 0.00 C ATOM 1106 CE1 HIS A 75 16.277 6.414 7.023 1.00 0.00 C ATOM 1107 NE2 HIS A 75 17.056 6.620 8.070 1.00 0.00 N ATOM 0 H HIS A 75 21.204 6.376 3.596 1.00 0.00 H new ATOM 0 HA HIS A 75 18.551 7.168 3.630 1.00 0.00 H new ATOM 0 HB2 HIS A 75 19.486 5.281 4.906 1.00 0.00 H new ATOM 0 HB3 HIS A 75 20.440 6.377 5.885 1.00 0.00 H new ATOM 0 HD1 HIS A 75 16.708 6.102 5.008 1.00 0.00 H new ATOM 0 HD2 HIS A 75 19.235 6.749 8.286 1.00 0.00 H new ATOM 0 HE1 HIS A 75 15.198 6.369 7.037 1.00 0.00 H new ATOM 1116 N GLU A 76 20.555 9.274 5.151 1.00 0.00 N ATOM 1117 CA GLU A 76 20.652 10.610 5.738 1.00 0.00 C ATOM 1118 C GLU A 76 20.065 10.639 7.146 1.00 0.00 C ATOM 1119 O GLU A 76 18.985 10.105 7.394 1.00 0.00 O ATOM 1120 CB GLU A 76 19.946 11.643 4.855 1.00 0.00 C ATOM 1121 CG GLU A 76 20.534 11.752 3.457 1.00 0.00 C ATOM 1122 CD GLU A 76 19.820 12.781 2.599 1.00 0.00 C ATOM 1123 OE1 GLU A 76 18.859 13.406 3.095 1.00 0.00 O ATOM 1124 OE2 GLU A 76 20.222 12.960 1.431 1.00 0.00 O ATOM 0 H GLU A 76 21.454 8.812 5.016 1.00 0.00 H new ATOM 0 HA GLU A 76 21.710 10.865 5.802 1.00 0.00 H new ATOM 0 HB2 GLU A 76 18.891 11.381 4.777 1.00 0.00 H new ATOM 0 HB3 GLU A 76 19.998 12.618 5.339 1.00 0.00 H new ATOM 0 HG2 GLU A 76 21.589 12.016 3.531 1.00 0.00 H new ATOM 0 HG3 GLU A 76 20.482 10.779 2.969 1.00 0.00 H new ATOM 1131 N THR A 77 20.795 11.264 8.066 1.00 0.00 N ATOM 1132 CA THR A 77 20.361 11.365 9.456 1.00 0.00 C ATOM 1133 C THR A 77 19.108 12.224 9.592 1.00 0.00 C ATOM 1134 O THR A 77 18.161 11.849 10.285 1.00 0.00 O ATOM 1135 CB THR A 77 21.470 11.961 10.343 1.00 0.00 C ATOM 1136 OG1 THR A 77 21.800 13.281 9.895 1.00 0.00 O ATOM 1137 CG2 THR A 77 22.715 11.087 10.315 1.00 0.00 C ATOM 0 H THR A 77 21.692 11.709 7.873 1.00 0.00 H new ATOM 0 HA THR A 77 20.136 10.351 9.786 1.00 0.00 H new ATOM 0 HB THR A 77 21.099 12.006 11.367 1.00 0.00 H new ATOM 0 HG1 THR A 77 22.505 13.653 10.465 1.00 0.00 H new ATOM 0 HG21 THR A 77 23.484 11.529 10.949 1.00 0.00 H new ATOM 0 HG22 THR A 77 22.469 10.091 10.684 1.00 0.00 H new ATOM 0 HG23 THR A 77 23.085 11.014 9.292 1.00 0.00 H new ATOM 1145 N ASP A 78 19.111 13.380 8.934 1.00 0.00 N ATOM 1146 CA ASP A 78 17.975 14.296 8.989 1.00 0.00 C ATOM 1147 C ASP A 78 16.700 13.628 8.483 1.00 0.00 C ATOM 1148 O ASP A 78 16.711 12.922 7.475 1.00 0.00 O ATOM 1149 CB ASP A 78 18.269 15.562 8.176 1.00 0.00 C ATOM 1150 CG ASP A 78 18.618 15.267 6.728 1.00 0.00 C ATOM 1151 OD1 ASP A 78 18.697 14.076 6.360 1.00 0.00 O ATOM 1152 OD2 ASP A 78 18.820 16.232 5.959 1.00 0.00 O ATOM 0 H ASP A 78 19.887 13.705 8.357 1.00 0.00 H new ATOM 0 HA ASP A 78 17.820 14.573 10.032 1.00 0.00 H new ATOM 0 HB2 ASP A 78 17.399 16.218 8.208 1.00 0.00 H new ATOM 0 HB3 ASP A 78 19.094 16.102 8.640 1.00 0.00 H new ATOM 1157 N LYS A 79 15.599 13.856 9.195 1.00 0.00 N ATOM 1158 CA LYS A 79 14.312 13.279 8.823 1.00 0.00 C ATOM 1159 C LYS A 79 13.860 13.789 7.457 1.00 0.00 C ATOM 1160 O LYS A 79 13.453 13.007 6.597 1.00 0.00 O ATOM 1161 CB LYS A 79 13.255 13.610 9.880 1.00 0.00 C ATOM 1162 CG LYS A 79 11.879 13.036 9.571 1.00 0.00 C ATOM 1163 CD LYS A 79 10.867 13.384 10.653 1.00 0.00 C ATOM 1164 CE LYS A 79 11.231 12.754 11.989 1.00 0.00 C ATOM 1165 NZ LYS A 79 10.256 13.109 13.056 1.00 0.00 N ATOM 0 H LYS A 79 15.573 14.437 10.033 1.00 0.00 H new ATOM 0 HA LYS A 79 14.431 12.197 8.765 1.00 0.00 H new ATOM 0 HB2 LYS A 79 13.589 13.230 10.846 1.00 0.00 H new ATOM 0 HB3 LYS A 79 13.174 14.693 9.974 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.532 13.420 8.612 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.950 11.953 9.474 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.812 14.467 10.765 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.877 13.044 10.348 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.271 11.670 11.880 1.00 0.00 H new ATOM 0 HE3 LYS A 79 12.228 13.081 12.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.541 12.660 13.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.236 14.142 13.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.309 12.774 12.786 1.00 0.00 H new ATOM 1179 N SER A 80 13.935 15.102 7.268 1.00 0.00 N ATOM 1180 CA SER A 80 13.534 15.720 6.009 1.00 0.00 C ATOM 1181 C SER A 80 14.373 15.191 4.849 1.00 0.00 C ATOM 1182 O SER A 80 15.607 15.087 5.011 1.00 0.00 O ATOM 1183 CB SER A 80 13.669 17.241 6.096 1.00 0.00 C ATOM 1184 OG SER A 80 15.011 17.623 6.346 1.00 0.00 O ATOM 1185 OXT SER A 80 13.788 14.884 3.790 1.00 0.00 O ATOM 0 H SER A 80 14.270 15.760 7.972 1.00 0.00 H new ATOM 0 HA SER A 80 12.490 15.464 5.826 1.00 0.00 H new ATOM 0 HB2 SER A 80 13.327 17.693 5.165 1.00 0.00 H new ATOM 0 HB3 SER A 80 13.026 17.621 6.890 1.00 0.00 H new ATOM 0 HG SER A 80 15.616 16.927 6.015 1.00 0.00 H new TER 1191 SER A 80 ATOM 1192 N ALA B 1 1.427 -19.943 7.025 1.00 0.00 N ATOM 1193 CA ALA B 1 0.060 -19.364 7.092 1.00 0.00 C ATOM 1194 C ALA B 1 -0.077 -18.179 6.142 1.00 0.00 C ATOM 1195 O ALA B 1 -1.075 -18.052 5.431 1.00 0.00 O ATOM 1196 CB ALA B 1 -0.263 -18.939 8.516 1.00 0.00 C ATOM 0 H1 ALA B 1 1.471 -20.798 7.615 1.00 0.00 H new ATOM 0 H2 ALA B 1 1.651 -20.190 6.040 1.00 0.00 H new ATOM 0 H3 ALA B 1 2.116 -19.246 7.373 1.00 0.00 H new ATOM 0 HA ALA B 1 -0.650 -20.131 6.783 1.00 0.00 H new ATOM 0 HB1 ALA B 1 -1.267 -18.517 8.551 1.00 0.00 H new ATOM 0 HB2 ALA B 1 -0.211 -19.806 9.175 1.00 0.00 H new ATOM 0 HB3 ALA B 1 0.457 -18.190 8.844 1.00 0.00 H new ATOM 1204 N ARG B 2 0.935 -17.316 6.133 1.00 0.00 N ATOM 1205 CA ARG B 2 0.935 -16.140 5.270 1.00 0.00 C ATOM 1206 C ARG B 2 0.917 -16.544 3.799 1.00 0.00 C ATOM 1207 O ARG B 2 1.726 -17.362 3.361 1.00 0.00 O ATOM 1208 CB ARG B 2 2.167 -15.278 5.557 1.00 0.00 C ATOM 1209 CG ARG B 2 2.238 -14.773 6.988 1.00 0.00 C ATOM 1210 CD ARG B 2 3.539 -14.029 7.250 1.00 0.00 C ATOM 1211 NE ARG B 2 3.702 -12.878 6.366 1.00 0.00 N ATOM 1212 CZ ARG B 2 4.785 -12.103 6.358 1.00 0.00 C ATOM 1213 NH1 ARG B 2 5.795 -12.363 7.177 1.00 0.00 N ATOM 1214 NH2 ARG B 2 4.858 -11.073 5.528 1.00 0.00 N ATOM 0 H ARG B 2 1.767 -17.410 6.715 1.00 0.00 H new ATOM 0 HA ARG B 2 0.034 -15.563 5.480 1.00 0.00 H new ATOM 0 HB2 ARG B 2 3.064 -15.858 5.341 1.00 0.00 H new ATOM 0 HB3 ARG B 2 2.168 -14.424 4.879 1.00 0.00 H new ATOM 0 HG2 ARG B 2 1.393 -14.113 7.185 1.00 0.00 H new ATOM 0 HG3 ARG B 2 2.153 -15.613 7.677 1.00 0.00 H new ATOM 0 HD2 ARG B 2 3.562 -13.695 8.287 1.00 0.00 H new ATOM 0 HD3 ARG B 2 4.379 -14.710 7.116 1.00 0.00 H new ATOM 0 HE ARG B 2 2.945 -12.656 5.719 1.00 0.00 H new ATOM 0 HH11 ARG B 2 5.743 -13.158 7.814 1.00 0.00 H new ATOM 0 HH12 ARG B 2 6.624 -11.768 7.170 1.00 0.00 H new ATOM 0 HH21 ARG B 2 4.084 -10.873 4.894 1.00 0.00 H new ATOM 0 HH22 ARG B 2 5.688 -10.480 5.523 1.00 0.00 H new ATOM 1228 N THR B 3 -0.010 -15.964 3.040 1.00 0.00 N ATOM 1229 CA THR B 3 -0.132 -16.263 1.618 1.00 0.00 C ATOM 1230 C THR B 3 1.004 -15.627 0.820 1.00 0.00 C ATOM 1231 O THR B 3 1.753 -16.320 0.130 1.00 0.00 O ATOM 1232 CB THR B 3 -1.481 -15.774 1.060 1.00 0.00 C ATOM 1233 OG1 THR B 3 -1.615 -14.364 1.266 1.00 0.00 O ATOM 1234 CG2 THR B 3 -2.638 -16.500 1.731 1.00 0.00 C ATOM 0 H THR B 3 -0.687 -15.285 3.387 1.00 0.00 H new ATOM 0 HA THR B 3 -0.076 -17.347 1.514 1.00 0.00 H new ATOM 0 HB THR B 3 -1.506 -15.989 -0.008 1.00 0.00 H new ATOM 0 HG1 THR B 3 -2.475 -14.061 0.907 1.00 0.00 H new ATOM 0 HG21 THR B 3 -3.581 -16.138 1.321 1.00 0.00 H new ATOM 0 HG22 THR B 3 -2.550 -17.571 1.549 1.00 0.00 H new ATOM 0 HG23 THR B 3 -2.613 -16.311 2.804 1.00 0.00 H new HETATM 1242 N MLY B 4 1.132 -14.304 0.928 1.00 0.00 N HETATM 1243 CA MLY B 4 2.183 -13.567 0.228 1.00 0.00 C HETATM 1244 CB MLY B 4 2.066 -13.742 -1.294 1.00 0.00 C HETATM 1245 CG MLY B 4 0.839 -13.075 -1.906 1.00 0.00 C HETATM 1246 CD MLY B 4 -0.445 -13.807 -1.548 1.00 0.00 C HETATM 1247 CE MLY B 4 -0.538 -15.150 -2.253 1.00 0.00 C HETATM 1248 NZ MLY B 4 -0.659 -14.994 -3.730 1.00 0.00 N HETATM 1249 CH1 MLY B 4 0.462 -15.446 -4.321 1.00 0.00 C HETATM 1250 CH2 MLY B 4 -1.710 -15.711 -4.166 1.00 0.00 C HETATM 1251 C MLY B 4 2.124 -12.082 0.578 1.00 0.00 C HETATM 1252 O MLY B 4 2.306 -11.223 -0.287 1.00 0.00 O HETATM 0 HH23 MLY B 4 -1.560 -16.762 -3.921 1.00 0.00 H new HETATM 0 HH22 MLY B 4 -2.620 -15.352 -3.685 1.00 0.00 H new HETATM 0 HH21 MLY B 4 -1.803 -15.600 -5.246 1.00 0.00 H new HETATM 0 HH13 MLY B 4 1.318 -14.873 -3.964 1.00 0.00 H new HETATM 0 HH12 MLY B 4 0.603 -16.499 -4.077 1.00 0.00 H new HETATM 0 HH11 MLY B 4 0.375 -15.332 -5.402 1.00 0.00 H new HETATM 0 HG3 MLY B 4 0.777 -12.043 -1.560 1.00 0.00 H new HETATM 0 HG2 MLY B 4 0.947 -13.042 -2.990 1.00 0.00 H new HETATM 0 HE3 MLY B 4 0.346 -15.744 -2.022 1.00 0.00 H new HETATM 0 HE2 MLY B 4 -1.399 -15.700 -1.874 1.00 0.00 H new HETATM 0 HD3 MLY B 4 -0.490 -13.958 -0.469 1.00 0.00 H new HETATM 0 HD2 MLY B 4 -1.303 -13.192 -1.820 1.00 0.00 H new HETATM 0 HB3 MLY B 4 2.960 -13.335 -1.765 1.00 0.00 H new HETATM 0 HB2 MLY B 4 2.041 -14.807 -1.525 1.00 0.00 H new HETATM 0 HA MLY B 4 3.141 -13.974 0.553 1.00 0.00 H new ATOM 1270 N GLN B 5 1.870 -11.789 1.851 1.00 0.00 N ATOM 1271 CA GLN B 5 1.784 -10.409 2.322 1.00 0.00 C ATOM 1272 C GLN B 5 0.567 -9.705 1.725 1.00 0.00 C ATOM 1273 O GLN B 5 0.296 -9.814 0.529 1.00 0.00 O ATOM 1274 CB GLN B 5 3.062 -9.645 1.963 1.00 0.00 C ATOM 1275 CG GLN B 5 4.327 -10.314 2.472 1.00 0.00 C ATOM 1276 CD GLN B 5 5.586 -9.631 1.979 1.00 0.00 C ATOM 1277 OE1 GLN B 5 5.840 -9.565 0.776 1.00 0.00 O ATOM 1278 NE2 GLN B 5 6.385 -9.120 2.908 1.00 0.00 N ATOM 0 H GLN B 5 1.720 -12.490 2.576 1.00 0.00 H new ATOM 0 HA GLN B 5 1.674 -10.426 3.406 1.00 0.00 H new ATOM 0 HB2 GLN B 5 3.124 -9.544 0.879 1.00 0.00 H new ATOM 0 HB3 GLN B 5 3.002 -8.637 2.374 1.00 0.00 H new ATOM 0 HG2 GLN B 5 4.321 -10.313 3.562 1.00 0.00 H new ATOM 0 HG3 GLN B 5 4.335 -11.357 2.154 1.00 0.00 H new ATOM 0 HE21 GLN B 5 6.135 -9.197 3.894 1.00 0.00 H new ATOM 0 HE22 GLN B 5 7.248 -8.650 2.636 1.00 0.00 H new ATOM 1287 N THR B 6 -0.164 -8.984 2.568 1.00 0.00 N ATOM 1288 CA THR B 6 -1.355 -8.261 2.131 1.00 0.00 C ATOM 1289 C THR B 6 -1.483 -6.939 2.876 1.00 0.00 C ATOM 1290 O THR B 6 -1.206 -6.865 4.071 1.00 0.00 O ATOM 1291 CB THR B 6 -2.636 -9.091 2.360 1.00 0.00 C ATOM 1292 OG1 THR B 6 -2.809 -9.353 3.757 1.00 0.00 O ATOM 1293 CG2 THR B 6 -2.575 -10.406 1.600 1.00 0.00 C ATOM 0 H THR B 6 0.047 -8.884 3.561 1.00 0.00 H new ATOM 0 HA THR B 6 -1.243 -8.073 1.063 1.00 0.00 H new ATOM 0 HB THR B 6 -3.483 -8.514 1.990 1.00 0.00 H new ATOM 0 HG1 THR B 6 -3.565 -9.963 3.884 1.00 0.00 H new ATOM 0 HG21 THR B 6 -3.489 -10.972 1.778 1.00 0.00 H new ATOM 0 HG22 THR B 6 -2.474 -10.205 0.533 1.00 0.00 H new ATOM 0 HG23 THR B 6 -1.717 -10.985 1.943 1.00 0.00 H new ATOM 1301 N ALA B 7 -1.895 -5.894 2.164 1.00 0.00 N ATOM 1302 CA ALA B 7 -2.046 -4.577 2.770 1.00 0.00 C ATOM 1303 C ALA B 7 -3.464 -4.046 2.591 1.00 0.00 C ATOM 1304 O ALA B 7 -3.682 -2.834 2.560 1.00 0.00 O ATOM 1305 CB ALA B 7 -1.036 -3.610 2.173 1.00 0.00 C ATOM 0 H ALA B 7 -2.129 -5.934 1.172 1.00 0.00 H new ATOM 0 HA ALA B 7 -1.859 -4.670 3.840 1.00 0.00 H new ATOM 0 HB1 ALA B 7 -1.157 -2.629 2.632 1.00 0.00 H new ATOM 0 HB2 ALA B 7 -0.027 -3.977 2.360 1.00 0.00 H new ATOM 0 HB3 ALA B 7 -1.200 -3.530 1.098 1.00 0.00 H new ATOM 1311 N ARG B 8 -4.422 -4.963 2.487 1.00 0.00 N ATOM 1312 CA ARG B 8 -5.826 -4.599 2.323 1.00 0.00 C ATOM 1313 C ARG B 8 -6.001 -3.542 1.231 1.00 0.00 C ATOM 1314 O ARG B 8 -5.300 -3.563 0.220 1.00 0.00 O ATOM 1315 CB ARG B 8 -6.392 -4.090 3.650 1.00 0.00 C ATOM 1316 CG ARG B 8 -6.320 -5.111 4.772 1.00 0.00 C ATOM 1317 CD ARG B 8 -6.815 -4.527 6.087 1.00 0.00 C ATOM 1318 NE ARG B 8 -6.725 -5.486 7.187 1.00 0.00 N ATOM 1319 CZ ARG B 8 -7.418 -6.621 7.243 1.00 0.00 C ATOM 1320 NH1 ARG B 8 -8.266 -6.937 6.273 1.00 0.00 N ATOM 1321 NH2 ARG B 8 -7.265 -7.441 8.274 1.00 0.00 N ATOM 0 H ARG B 8 -4.250 -5.968 2.514 1.00 0.00 H new ATOM 0 HA ARG B 8 -6.375 -5.489 2.017 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -5.847 -3.195 3.949 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -7.431 -3.796 3.503 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -6.919 -5.983 4.511 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -5.292 -5.454 4.889 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -6.230 -3.640 6.332 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -7.850 -4.204 5.972 1.00 0.00 H new ATOM 0 HE ARG B 8 -6.093 -5.272 7.958 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -8.390 -6.309 5.479 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -8.794 -7.808 6.321 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -6.616 -7.202 9.024 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -7.796 -8.311 8.317 1.00 0.00 H new HETATM 1335 N MLY B 9 -6.938 -2.619 1.454 1.00 0.00 N HETATM 1336 CA MLY B 9 -7.219 -1.544 0.508 1.00 0.00 C HETATM 1337 CB MLY B 9 -7.511 -2.102 -0.889 1.00 0.00 C HETATM 1338 CG MLY B 9 -7.928 -1.038 -1.894 1.00 0.00 C HETATM 1339 CD MLY B 9 -7.740 -1.510 -3.327 1.00 0.00 C HETATM 1340 CE MLY B 9 -6.259 -1.585 -3.698 1.00 0.00 C HETATM 1341 NZ MLY B 9 -6.022 -1.994 -5.121 1.00 0.00 N HETATM 1342 CH1 MLY B 9 -6.365 -3.285 -5.282 1.00 0.00 C HETATM 1343 CH2 MLY B 9 -6.759 -1.229 -5.953 1.00 0.00 C HETATM 1344 C MLY B 9 -8.394 -0.704 0.998 1.00 0.00 C HETATM 1345 O MLY B 9 -9.369 -1.237 1.529 1.00 0.00 O HETATM 0 HH23 MLY B 9 -7.816 -1.350 -5.718 1.00 0.00 H new HETATM 0 HH22 MLY B 9 -6.478 -0.183 -5.830 1.00 0.00 H new HETATM 0 HH21 MLY B 9 -6.579 -1.535 -6.984 1.00 0.00 H new HETATM 0 HH13 MLY B 9 -5.761 -3.907 -4.621 1.00 0.00 H new HETATM 0 HH12 MLY B 9 -7.420 -3.414 -5.039 1.00 0.00 H new HETATM 0 HH11 MLY B 9 -6.192 -3.581 -6.317 1.00 0.00 H new HETATM 0 HG3 MLY B 9 -8.973 -0.775 -1.732 1.00 0.00 H new HETATM 0 HG2 MLY B 9 -7.343 -0.133 -1.730 1.00 0.00 H new HETATM 0 HE3 MLY B 9 -5.799 -0.612 -3.526 1.00 0.00 H new HETATM 0 HE2 MLY B 9 -5.762 -2.294 -3.036 1.00 0.00 H new HETATM 0 HD3 MLY B 9 -8.198 -2.491 -3.452 1.00 0.00 H new HETATM 0 HD2 MLY B 9 -8.253 -0.829 -4.006 1.00 0.00 H new HETATM 0 HB3 MLY B 9 -6.622 -2.613 -1.260 1.00 0.00 H new HETATM 0 HB2 MLY B 9 -8.301 -2.850 -0.815 1.00 0.00 H new HETATM 0 HA MLY B 9 -6.334 -0.911 0.441 1.00 0.00 H new ATOM 1363 N SER B 10 -8.288 0.612 0.829 1.00 0.00 N ATOM 1364 CA SER B 10 -9.336 1.526 1.266 1.00 0.00 C ATOM 1365 C SER B 10 -10.687 1.130 0.683 1.00 0.00 C ATOM 1366 O SER B 10 -10.851 1.053 -0.535 1.00 0.00 O ATOM 1367 CB SER B 10 -8.991 2.960 0.858 1.00 0.00 C ATOM 1368 OG SER B 10 -8.892 3.081 -0.551 1.00 0.00 O ATOM 0 H SER B 10 -7.487 1.067 0.392 1.00 0.00 H new ATOM 0 HA SER B 10 -9.402 1.469 2.352 1.00 0.00 H new ATOM 0 HB2 SER B 10 -9.755 3.641 1.232 1.00 0.00 H new ATOM 0 HB3 SER B 10 -8.048 3.255 1.318 1.00 0.00 H new ATOM 0 HG SER B 10 -9.495 2.437 -0.978 1.00 0.00 H new ATOM 1374 N THR B 11 -11.650 0.891 1.566 1.00 0.00 N ATOM 1375 CA THR B 11 -12.999 0.510 1.160 1.00 0.00 C ATOM 1376 C THR B 11 -14.016 0.973 2.194 1.00 0.00 C ATOM 1377 O THR B 11 -14.912 1.760 1.885 1.00 0.00 O ATOM 1378 CB THR B 11 -13.133 -1.016 0.980 1.00 0.00 C ATOM 1379 OG1 THR B 11 -12.736 -1.690 2.180 1.00 0.00 O ATOM 1380 CG2 THR B 11 -12.287 -1.510 -0.186 1.00 0.00 C ATOM 0 H THR B 11 -11.520 0.955 2.576 1.00 0.00 H new ATOM 0 HA THR B 11 -13.192 0.993 0.202 1.00 0.00 H new ATOM 0 HB THR B 11 -14.179 -1.237 0.765 1.00 0.00 H new ATOM 0 HG1 THR B 11 -13.427 -2.336 2.437 1.00 0.00 H new ATOM 0 HG21 THR B 11 -12.402 -2.589 -0.288 1.00 0.00 H new ATOM 0 HG22 THR B 11 -12.613 -1.022 -1.105 1.00 0.00 H new ATOM 0 HG23 THR B 11 -11.239 -1.273 -0.001 1.00 0.00 H new ATOM 1388 N GLY B 12 -13.863 0.491 3.427 1.00 0.00 N ATOM 1389 CA GLY B 12 -14.768 0.879 4.493 1.00 0.00 C ATOM 1390 C GLY B 12 -16.226 0.730 4.105 1.00 0.00 C ATOM 1391 O GLY B 12 -16.671 -0.357 3.731 1.00 0.00 O ATOM 0 H GLY B 12 -13.129 -0.160 3.704 1.00 0.00 H new ATOM 0 HA2 GLY B 12 -14.567 0.270 5.375 1.00 0.00 H new ATOM 0 HA3 GLY B 12 -14.574 1.915 4.770 1.00 0.00 H new ATOM 1395 N GLY B 13 -16.969 1.829 4.190 1.00 0.00 N ATOM 1396 CA GLY B 13 -18.376 1.810 3.841 1.00 0.00 C ATOM 1397 C GLY B 13 -18.937 3.204 3.640 1.00 0.00 C ATOM 1398 O GLY B 13 -18.684 4.102 4.442 1.00 0.00 O ATOM 0 H GLY B 13 -16.618 2.737 4.496 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -18.514 1.230 2.929 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -18.937 1.305 4.628 1.00 0.00 H new ATOM 1402 N LYS B 14 -19.695 3.385 2.563 1.00 0.00 N ATOM 1403 CA LYS B 14 -20.292 4.682 2.253 1.00 0.00 C ATOM 1404 C LYS B 14 -21.218 5.142 3.374 1.00 0.00 C ATOM 1405 O LYS B 14 -21.988 4.352 3.919 1.00 0.00 O ATOM 1406 CB LYS B 14 -21.067 4.620 0.931 1.00 0.00 C ATOM 1407 CG LYS B 14 -20.187 4.504 -0.308 1.00 0.00 C ATOM 1408 CD LYS B 14 -19.410 3.196 -0.337 1.00 0.00 C ATOM 1409 CE LYS B 14 -18.564 3.082 -1.594 1.00 0.00 C ATOM 1410 NZ LYS B 14 -17.791 1.810 -1.628 1.00 0.00 N ATOM 0 H LYS B 14 -19.911 2.650 1.889 1.00 0.00 H new ATOM 0 HA LYS B 14 -19.481 5.404 2.155 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -21.746 3.768 0.961 1.00 0.00 H new ATOM 0 HB3 LYS B 14 -21.683 5.515 0.842 1.00 0.00 H new ATOM 0 HG2 LYS B 14 -20.808 4.576 -1.201 1.00 0.00 H new ATOM 0 HG3 LYS B 14 -19.489 5.341 -0.336 1.00 0.00 H new ATOM 0 HD2 LYS B 14 -18.769 3.132 0.542 1.00 0.00 H new ATOM 0 HD3 LYS B 14 -20.104 2.357 -0.286 1.00 0.00 H new ATOM 0 HE2 LYS B 14 -19.208 3.139 -2.472 1.00 0.00 H new ATOM 0 HE3 LYS B 14 -17.877 3.926 -1.647 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 -17.227 1.770 -2.501 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 -17.158 1.766 -0.804 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 -18.448 1.004 -1.603 1.00 0.00 H new ATOM 1424 N ALA B 15 -21.133 6.428 3.709 1.00 0.00 N ATOM 1425 CA ALA B 15 -21.962 7.008 4.762 1.00 0.00 C ATOM 1426 C ALA B 15 -21.703 6.339 6.113 1.00 0.00 C ATOM 1427 O ALA B 15 -22.611 5.762 6.710 1.00 0.00 O ATOM 1428 CB ALA B 15 -23.436 6.907 4.390 1.00 0.00 C ATOM 0 H ALA B 15 -20.496 7.089 3.265 1.00 0.00 H new ATOM 0 HA ALA B 15 -21.693 8.060 4.858 1.00 0.00 H new ATOM 0 HB1 ALA B 15 -24.042 7.343 5.184 1.00 0.00 H new ATOM 0 HB2 ALA B 15 -23.614 7.446 3.460 1.00 0.00 H new ATOM 0 HB3 ALA B 15 -23.708 5.859 4.260 1.00 0.00 H new ATOM 1434 N PRO B 16 -20.452 6.401 6.614 1.00 0.00 N ATOM 1435 CA PRO B 16 -20.078 5.800 7.896 1.00 0.00 C ATOM 1436 C PRO B 16 -20.561 6.624 9.089 1.00 0.00 C ATOM 1437 O PRO B 16 -19.841 6.779 10.076 1.00 0.00 O ATOM 1438 CB PRO B 16 -18.541 5.770 7.861 1.00 0.00 C ATOM 1439 CG PRO B 16 -18.141 6.273 6.508 1.00 0.00 C ATOM 1440 CD PRO B 16 -19.305 7.060 5.980 1.00 0.00 C ATOM 0 HA PRO B 16 -20.531 4.816 8.020 1.00 0.00 H new ATOM 0 HB2 PRO B 16 -18.122 6.397 8.648 1.00 0.00 H new ATOM 0 HB3 PRO B 16 -18.168 4.759 8.026 1.00 0.00 H new ATOM 0 HG2 PRO B 16 -17.250 6.897 6.575 1.00 0.00 H new ATOM 0 HG3 PRO B 16 -17.900 5.444 5.842 1.00 0.00 H new ATOM 0 HD2 PRO B 16 -19.240 8.113 6.254 1.00 0.00 H new ATOM 0 HD3 PRO B 16 -19.363 7.017 4.892 1.00 0.00 H new ATOM 1448 N GLY B 17 -21.779 7.150 8.992 1.00 0.00 N ATOM 1449 CA GLY B 17 -22.333 7.951 10.070 1.00 0.00 C ATOM 1450 C GLY B 17 -22.632 7.134 11.313 1.00 0.00 C ATOM 1451 O GLY B 17 -21.829 6.296 11.724 1.00 0.00 O ATOM 0 H GLY B 17 -22.393 7.036 8.185 1.00 0.00 H new ATOM 0 HA2 GLY B 17 -21.632 8.747 10.323 1.00 0.00 H new ATOM 0 HA3 GLY B 17 -23.249 8.431 9.727 1.00 0.00 H new ATOM 1455 N GLY B 18 -23.792 7.383 11.914 1.00 0.00 N ATOM 1456 CA GLY B 18 -24.179 6.660 13.113 1.00 0.00 C ATOM 1457 C GLY B 18 -24.297 5.167 12.879 1.00 0.00 C ATOM 1458 O GLY B 18 -25.077 4.765 11.990 1.00 0.00 O ATOM 1459 OXT GLY B 18 -23.607 4.400 13.582 1.00 0.00 O ATOM 0 H GLY B 18 -24.471 8.073 11.592 1.00 0.00 H new ATOM 0 HA2 GLY B 18 -23.445 6.844 13.897 1.00 0.00 H new ATOM 0 HA3 GLY B 18 -25.133 7.044 13.473 1.00 0.00 H new TER 1463 GLY B 18