USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 703 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 17 MET CE :methyl -174:sc= -0.907 (180deg=-0.151) USER MOD Set 1.2: A 72 HIS : no HD1:sc= -2.8 K(o=-3.7,f=-0.86) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -109:sc= -1.37 (180deg=-2.07!) USER MOD Single : A 2 SER OG : rot 86:sc= 0.681 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 149:sc= -0.807 (180deg=-1.9!) USER MOD Single : A 10 ASN : amide:sc= -0.0129 X(o=-0.013,f=-0.013) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0.337 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 GLN : amide:sc= -7.03! C(o=-7!,f=-14!) USER MOD Single : A 24 CYS SG : rot -156:sc= 1.03 USER MOD Single : A 26 THR OG1 : rot 88:sc= -0.442 USER MOD Single : A 27 GLN : amide:sc= -0.498 K(o=-0.5,f=-3.8!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.105 X(o=-0.1,f=-0.1) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot -151:sc= -2.55 USER MOD Single : A 51 ASN : amide:sc= -0.377 K(o=-0.38,f=-2.3!) USER MOD Single : A 53 THR OG1 : rot 81:sc= 0.0822 USER MOD Single : A 55 HIS : no HE2:sc= -1.32 X(o=-1.3,f=-0.88) USER MOD Single : A 56 CYS SG : rot 170:sc= -2.68 USER MOD Single : A 61 ASN : amide:sc= -0.0314 X(o=-0.031,f=-0.26) USER MOD Single : A 64 SER OG : rot 180:sc= 0.0424 USER MOD Single : A 65 TYR OH : rot -121:sc= 1.36 USER MOD Single : A 67 THR OG1 : rot -8:sc= 0.197! USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 36:sc= -1.01! USER MOD Single : A 75 TYR OH : rot 28:sc= 1.26 USER MOD Single : A 77 TYR OH : rot -33:sc= 0.687 USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ -172:sc= -2.18! (180deg=-2.22!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.364 12.272 -12.584 1.00 0.00 N ATOM 2 CA MET A 1 -17.607 13.699 -12.467 1.00 0.00 C ATOM 3 C MET A 1 -17.262 14.202 -11.063 1.00 0.00 C ATOM 4 O MET A 1 -16.776 15.320 -10.902 1.00 0.00 O ATOM 5 CB MET A 1 -19.078 13.995 -12.767 1.00 0.00 C ATOM 6 CG MET A 1 -19.997 13.156 -11.876 1.00 0.00 C ATOM 7 SD MET A 1 -20.496 14.104 -10.449 1.00 0.00 S ATOM 8 CE MET A 1 -22.077 13.349 -10.112 1.00 0.00 C ATOM 0 H1 MET A 1 -16.535 12.110 -13.190 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.187 11.871 -11.641 1.00 0.00 H new ATOM 0 H3 MET A 1 -18.196 11.812 -13.005 1.00 0.00 H new ATOM 0 HA MET A 1 -16.970 14.215 -13.185 1.00 0.00 H new ATOM 0 HB2 MET A 1 -19.279 15.054 -12.609 1.00 0.00 H new ATOM 0 HB3 MET A 1 -19.289 13.784 -13.815 1.00 0.00 H new ATOM 0 HG2 MET A 1 -20.876 12.842 -12.439 1.00 0.00 H new ATOM 0 HG3 MET A 1 -19.481 12.250 -11.559 1.00 0.00 H new ATOM 0 HE1 MET A 1 -22.530 13.826 -9.243 1.00 0.00 H new ATOM 0 HE2 MET A 1 -22.730 13.472 -10.976 1.00 0.00 H new ATOM 0 HE3 MET A 1 -21.938 12.287 -9.911 1.00 0.00 H new ATOM 18 N SER A 2 -17.526 13.349 -10.083 1.00 0.00 N ATOM 19 CA SER A 2 -17.250 13.693 -8.699 1.00 0.00 C ATOM 20 C SER A 2 -16.174 12.762 -8.134 1.00 0.00 C ATOM 21 O SER A 2 -16.487 11.697 -7.602 1.00 0.00 O ATOM 22 CB SER A 2 -18.519 13.615 -7.848 1.00 0.00 C ATOM 23 OG SER A 2 -19.125 14.892 -7.675 1.00 0.00 O ATOM 0 H SER A 2 -17.928 12.422 -10.221 1.00 0.00 H new ATOM 0 HA SER A 2 -16.887 14.720 -8.667 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.230 12.937 -8.319 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.276 13.194 -6.872 1.00 0.00 H new ATOM 0 HG SER A 2 -19.721 15.076 -8.431 1.00 0.00 H new ATOM 29 N ASP A 3 -14.930 13.197 -8.269 1.00 0.00 N ATOM 30 CA ASP A 3 -13.807 12.416 -7.779 1.00 0.00 C ATOM 31 C ASP A 3 -13.578 12.734 -6.300 1.00 0.00 C ATOM 32 O ASP A 3 -14.361 13.458 -5.688 1.00 0.00 O ATOM 33 CB ASP A 3 -12.525 12.758 -8.539 1.00 0.00 C ATOM 34 CG ASP A 3 -12.137 14.238 -8.522 1.00 0.00 C ATOM 35 OD1 ASP A 3 -11.888 14.820 -7.456 1.00 0.00 O ATOM 36 OD2 ASP A 3 -12.094 14.804 -9.680 1.00 0.00 O ATOM 0 H ASP A 3 -14.675 14.080 -8.711 1.00 0.00 H new ATOM 0 HA ASP A 3 -14.041 11.361 -7.923 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -11.705 12.178 -8.116 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -12.639 12.440 -9.575 1.00 0.00 H new ATOM 42 N ARG A 4 -12.499 12.176 -5.767 1.00 0.00 N ATOM 43 CA ARG A 4 -12.157 12.391 -4.372 1.00 0.00 C ATOM 44 C ARG A 4 -10.639 12.500 -4.208 1.00 0.00 C ATOM 45 O ARG A 4 -10.071 13.581 -4.358 1.00 0.00 O ATOM 46 CB ARG A 4 -12.677 11.250 -3.496 1.00 0.00 C ATOM 47 CG ARG A 4 -14.129 11.496 -3.080 1.00 0.00 C ATOM 48 CD ARG A 4 -14.265 11.529 -1.556 1.00 0.00 C ATOM 49 NE ARG A 4 -15.203 12.600 -1.155 1.00 0.00 N ATOM 50 CZ ARG A 4 -15.487 12.918 0.126 1.00 0.00 C ATOM 51 NH1 ARG A 4 -14.907 12.245 1.143 1.00 0.00 N ATOM 52 NH2 ARG A 4 -16.342 13.894 0.369 1.00 0.00 N ATOM 0 H ARG A 4 -11.851 11.576 -6.277 1.00 0.00 H new ATOM 0 HA ARG A 4 -12.628 13.321 -4.055 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -12.605 10.308 -4.039 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -12.052 11.154 -2.608 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -14.476 12.440 -3.500 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -14.766 10.712 -3.489 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -14.624 10.566 -1.194 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -13.290 11.698 -1.099 1.00 0.00 H new ATOM 0 HE ARG A 4 -15.664 13.132 -1.893 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -14.249 11.491 0.946 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -15.127 12.491 2.108 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -16.777 14.395 -0.405 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -16.567 14.147 1.331 1.00 0.00 H new ATOM 65 N LYS A 5 -10.027 11.365 -3.905 1.00 0.00 N ATOM 66 CA LYS A 5 -8.587 11.320 -3.720 1.00 0.00 C ATOM 67 C LYS A 5 -8.150 9.870 -3.497 1.00 0.00 C ATOM 68 O LYS A 5 -7.891 9.463 -2.366 1.00 0.00 O ATOM 69 CB LYS A 5 -8.160 12.269 -2.599 1.00 0.00 C ATOM 70 CG LYS A 5 -7.287 13.403 -3.140 1.00 0.00 C ATOM 71 CD LYS A 5 -7.110 14.506 -2.096 1.00 0.00 C ATOM 72 CE LYS A 5 -7.913 15.753 -2.474 1.00 0.00 C ATOM 73 NZ LYS A 5 -9.175 15.810 -1.702 1.00 0.00 N ATOM 0 H LYS A 5 -10.502 10.470 -3.783 1.00 0.00 H new ATOM 0 HA LYS A 5 -8.078 11.673 -4.617 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -9.043 12.685 -2.115 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.611 11.714 -1.838 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.312 13.010 -3.428 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.741 13.819 -4.040 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -7.433 14.143 -1.120 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -6.054 14.762 -2.008 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -7.320 16.647 -2.280 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.133 15.742 -3.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -9.708 16.662 -1.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.746 14.965 -1.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.959 15.843 -0.685 1.00 0.00 H new ATOM 85 N ALA A 6 -8.085 9.131 -4.595 1.00 0.00 N ATOM 86 CA ALA A 6 -7.685 7.734 -4.534 1.00 0.00 C ATOM 87 C ALA A 6 -7.332 7.247 -5.941 1.00 0.00 C ATOM 88 O ALA A 6 -8.214 6.862 -6.707 1.00 0.00 O ATOM 89 CB ALA A 6 -8.803 6.911 -3.895 1.00 0.00 C ATOM 0 H ALA A 6 -8.302 9.472 -5.531 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.797 7.615 -3.912 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.503 5.864 -3.849 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.994 7.278 -2.887 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.710 7.003 -4.493 1.00 0.00 H new ATOM 95 N VAL A 7 -6.041 7.282 -6.238 1.00 0.00 N ATOM 96 CA VAL A 7 -5.562 6.848 -7.540 1.00 0.00 C ATOM 97 C VAL A 7 -4.631 5.646 -7.361 1.00 0.00 C ATOM 98 O VAL A 7 -3.911 5.557 -6.369 1.00 0.00 O ATOM 99 CB VAL A 7 -4.894 8.018 -8.267 1.00 0.00 C ATOM 100 CG1 VAL A 7 -4.246 7.553 -9.572 1.00 0.00 C ATOM 101 CG2 VAL A 7 -5.896 9.146 -8.524 1.00 0.00 C ATOM 0 H VAL A 7 -5.313 7.604 -5.600 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.394 6.525 -8.166 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.107 8.409 -7.622 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.779 8.403 -10.069 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.490 6.799 -9.354 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.007 7.125 -10.224 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.397 9.965 -9.041 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.714 8.773 -9.140 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.292 9.505 -7.574 1.00 0.00 H new ATOM 111 N ILE A 8 -4.677 4.753 -8.338 1.00 0.00 N ATOM 112 CA ILE A 8 -3.848 3.560 -8.301 1.00 0.00 C ATOM 113 C ILE A 8 -3.083 3.437 -9.621 1.00 0.00 C ATOM 114 O ILE A 8 -3.677 3.501 -10.696 1.00 0.00 O ATOM 115 CB ILE A 8 -4.692 2.331 -7.962 1.00 0.00 C ATOM 116 CG1 ILE A 8 -4.860 2.183 -6.449 1.00 0.00 C ATOM 117 CG2 ILE A 8 -4.104 1.070 -8.599 1.00 0.00 C ATOM 118 CD1 ILE A 8 -6.334 2.001 -6.077 1.00 0.00 C ATOM 0 H ILE A 8 -5.275 4.831 -9.160 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.105 3.635 -7.507 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.687 2.472 -8.385 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.284 1.327 -6.097 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -4.460 3.064 -5.947 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.723 0.210 -8.342 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.078 1.188 -9.682 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.092 0.912 -8.227 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.426 1.898 -4.996 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.903 2.870 -6.409 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.724 1.106 -6.561 1.00 0.00 H new ATOM 130 N LYS A 9 -1.776 3.261 -9.496 1.00 0.00 N ATOM 131 CA LYS A 9 -0.923 3.126 -10.665 1.00 0.00 C ATOM 132 C LYS A 9 -0.655 1.643 -10.929 1.00 0.00 C ATOM 133 O LYS A 9 -1.270 1.046 -11.811 1.00 0.00 O ATOM 134 CB LYS A 9 0.349 3.961 -10.499 1.00 0.00 C ATOM 135 CG LYS A 9 0.034 5.456 -10.553 1.00 0.00 C ATOM 136 CD LYS A 9 -0.302 5.997 -9.163 1.00 0.00 C ATOM 137 CE LYS A 9 0.750 7.005 -8.695 1.00 0.00 C ATOM 138 NZ LYS A 9 0.256 8.389 -8.870 1.00 0.00 N ATOM 0 H LYS A 9 -1.286 3.209 -8.603 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.424 3.521 -11.549 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.825 3.720 -9.548 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.060 3.707 -11.285 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.888 5.997 -10.961 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.805 5.630 -11.227 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.283 6.472 -9.182 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.361 5.172 -8.453 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.990 6.828 -7.647 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.671 6.867 -9.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.666 8.999 -8.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.536 8.741 -9.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.781 8.400 -8.791 1.00 0.00 H new ATOM 150 N ASN A 10 0.261 1.092 -10.147 1.00 0.00 N ATOM 151 CA ASN A 10 0.617 -0.311 -10.285 1.00 0.00 C ATOM 152 C ASN A 10 0.066 -1.092 -9.090 1.00 0.00 C ATOM 153 O ASN A 10 0.042 -0.585 -7.969 1.00 0.00 O ATOM 154 CB ASN A 10 2.136 -0.493 -10.309 1.00 0.00 C ATOM 155 CG ASN A 10 2.509 -1.933 -10.668 1.00 0.00 C ATOM 156 OD1 ASN A 10 2.950 -2.712 -9.840 1.00 0.00 O ATOM 157 ND2 ASN A 10 2.307 -2.241 -11.947 1.00 0.00 N ATOM 0 H ASN A 10 0.768 1.591 -9.416 1.00 0.00 H new ATOM 0 HA ASN A 10 0.195 -0.676 -11.221 1.00 0.00 H new ATOM 0 HB2 ASN A 10 2.577 0.192 -11.033 1.00 0.00 H new ATOM 0 HB3 ASN A 10 2.552 -0.238 -9.334 1.00 0.00 H new ATOM 0 HD21 ASN A 10 2.525 -3.178 -12.286 1.00 0.00 H new ATOM 0 HD22 ASN A 10 1.935 -1.540 -12.588 1.00 0.00 H new ATOM 164 N ALA A 11 -0.365 -2.313 -9.371 1.00 0.00 N ATOM 165 CA ALA A 11 -0.914 -3.170 -8.333 1.00 0.00 C ATOM 166 C ALA A 11 -0.622 -4.631 -8.678 1.00 0.00 C ATOM 167 O ALA A 11 -0.174 -5.396 -7.824 1.00 0.00 O ATOM 168 CB ALA A 11 -2.412 -2.895 -8.183 1.00 0.00 C ATOM 0 H ALA A 11 -0.345 -2.729 -10.302 1.00 0.00 H new ATOM 0 HA ALA A 11 -0.446 -2.957 -7.372 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.824 -3.538 -7.405 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.565 -1.851 -7.910 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.916 -3.100 -9.127 1.00 0.00 H new ATOM 174 N ASP A 12 -0.887 -4.977 -9.929 1.00 0.00 N ATOM 175 CA ASP A 12 -0.659 -6.333 -10.397 1.00 0.00 C ATOM 176 C ASP A 12 -1.226 -7.321 -9.377 1.00 0.00 C ATOM 177 O ASP A 12 -0.477 -8.069 -8.748 1.00 0.00 O ATOM 178 CB ASP A 12 0.837 -6.617 -10.549 1.00 0.00 C ATOM 179 CG ASP A 12 1.183 -7.755 -11.513 1.00 0.00 C ATOM 180 OD1 ASP A 12 1.846 -7.542 -12.540 1.00 0.00 O ATOM 181 OD2 ASP A 12 0.737 -8.915 -11.170 1.00 0.00 O ATOM 0 H ASP A 12 -1.258 -4.340 -10.634 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.148 -6.444 -11.365 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.332 -5.708 -10.891 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.248 -6.854 -9.568 1.00 0.00 H new ATOM 187 N MET A 13 -2.544 -7.294 -9.244 1.00 0.00 N ATOM 188 CA MET A 13 -3.220 -8.179 -8.310 1.00 0.00 C ATOM 189 C MET A 13 -4.735 -8.153 -8.530 1.00 0.00 C ATOM 190 O MET A 13 -5.217 -7.533 -9.476 1.00 0.00 O ATOM 191 CB MET A 13 -2.906 -7.746 -6.877 1.00 0.00 C ATOM 192 CG MET A 13 -1.961 -8.740 -6.198 1.00 0.00 C ATOM 193 SD MET A 13 -0.468 -7.909 -5.682 1.00 0.00 S ATOM 194 CE MET A 13 -0.957 -7.380 -4.049 1.00 0.00 C ATOM 0 H MET A 13 -3.162 -6.673 -9.767 1.00 0.00 H new ATOM 0 HA MET A 13 -2.863 -9.195 -8.478 1.00 0.00 H new ATOM 0 HB2 MET A 13 -2.453 -6.755 -6.884 1.00 0.00 H new ATOM 0 HB3 MET A 13 -3.831 -7.670 -6.305 1.00 0.00 H new ATOM 0 HG2 MET A 13 -2.453 -9.191 -5.336 1.00 0.00 H new ATOM 0 HG3 MET A 13 -1.717 -9.550 -6.885 1.00 0.00 H new ATOM 0 HE1 MET A 13 -0.134 -6.840 -3.580 1.00 0.00 H new ATOM 0 HE2 MET A 13 -1.825 -6.725 -4.123 1.00 0.00 H new ATOM 0 HE3 MET A 13 -1.210 -8.251 -3.445 1.00 0.00 H new ATOM 204 N SER A 14 -5.441 -8.837 -7.641 1.00 0.00 N ATOM 205 CA SER A 14 -6.890 -8.900 -7.726 1.00 0.00 C ATOM 206 C SER A 14 -7.512 -7.746 -6.938 1.00 0.00 C ATOM 207 O SER A 14 -7.042 -7.405 -5.854 1.00 0.00 O ATOM 208 CB SER A 14 -7.414 -10.240 -7.207 1.00 0.00 C ATOM 209 OG SER A 14 -8.775 -10.158 -6.794 1.00 0.00 O ATOM 0 H SER A 14 -5.037 -9.352 -6.859 1.00 0.00 H new ATOM 0 HA SER A 14 -7.175 -8.810 -8.774 1.00 0.00 H new ATOM 0 HB2 SER A 14 -7.317 -10.994 -7.988 1.00 0.00 H new ATOM 0 HB3 SER A 14 -6.800 -10.569 -6.369 1.00 0.00 H new ATOM 0 HG SER A 14 -9.072 -11.034 -6.471 1.00 0.00 H new ATOM 215 N GLU A 15 -8.561 -7.176 -7.514 1.00 0.00 N ATOM 216 CA GLU A 15 -9.253 -6.068 -6.878 1.00 0.00 C ATOM 217 C GLU A 15 -9.586 -6.412 -5.426 1.00 0.00 C ATOM 218 O GLU A 15 -9.815 -5.520 -4.610 1.00 0.00 O ATOM 219 CB GLU A 15 -10.514 -5.690 -7.657 1.00 0.00 C ATOM 220 CG GLU A 15 -10.690 -4.171 -7.716 1.00 0.00 C ATOM 221 CD GLU A 15 -11.168 -3.727 -9.098 1.00 0.00 C ATOM 222 OE1 GLU A 15 -12.157 -4.269 -9.615 1.00 0.00 O ATOM 223 OE2 GLU A 15 -10.476 -2.784 -9.639 1.00 0.00 O ATOM 0 H GLU A 15 -8.948 -7.461 -8.414 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.591 -5.202 -6.881 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.455 -6.092 -8.668 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.386 -6.142 -7.185 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -11.409 -3.855 -6.960 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.744 -3.683 -7.480 1.00 0.00 H new ATOM 231 N GLU A 16 -9.604 -7.707 -5.147 1.00 0.00 N ATOM 232 CA GLU A 16 -9.907 -8.180 -3.808 1.00 0.00 C ATOM 233 C GLU A 16 -8.886 -7.632 -2.808 1.00 0.00 C ATOM 234 O GLU A 16 -9.246 -6.906 -1.883 1.00 0.00 O ATOM 235 CB GLU A 16 -9.951 -9.709 -3.762 1.00 0.00 C ATOM 236 CG GLU A 16 -10.716 -10.200 -2.533 1.00 0.00 C ATOM 237 CD GLU A 16 -9.817 -10.208 -1.294 1.00 0.00 C ATOM 238 OE1 GLU A 16 -9.706 -9.186 -0.601 1.00 0.00 O ATOM 239 OE2 GLU A 16 -9.220 -11.328 -1.062 1.00 0.00 O ATOM 0 H GLU A 16 -9.413 -8.444 -5.826 1.00 0.00 H new ATOM 0 HA GLU A 16 -10.895 -7.812 -3.530 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -10.426 -10.090 -4.666 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.936 -10.105 -3.744 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -11.579 -9.557 -2.357 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -11.099 -11.204 -2.716 1.00 0.00 H new ATOM 247 N MET A 17 -7.632 -7.999 -3.029 1.00 0.00 N ATOM 248 CA MET A 17 -6.558 -7.553 -2.159 1.00 0.00 C ATOM 249 C MET A 17 -6.139 -6.120 -2.496 1.00 0.00 C ATOM 250 O MET A 17 -5.764 -5.355 -1.608 1.00 0.00 O ATOM 251 CB MET A 17 -5.354 -8.485 -2.314 1.00 0.00 C ATOM 252 CG MET A 17 -5.795 -9.952 -2.315 1.00 0.00 C ATOM 253 SD MET A 17 -5.789 -10.589 -3.983 1.00 0.00 S ATOM 254 CE MET A 17 -4.150 -11.296 -4.039 1.00 0.00 C ATOM 0 H MET A 17 -7.336 -8.600 -3.798 1.00 0.00 H new ATOM 0 HA MET A 17 -6.917 -7.576 -1.130 1.00 0.00 H new ATOM 0 HB2 MET A 17 -4.830 -8.258 -3.243 1.00 0.00 H new ATOM 0 HB3 MET A 17 -4.649 -8.314 -1.500 1.00 0.00 H new ATOM 0 HG2 MET A 17 -5.126 -10.542 -1.689 1.00 0.00 H new ATOM 0 HG3 MET A 17 -6.793 -10.041 -1.886 1.00 0.00 H new ATOM 0 HE1 MET A 17 -3.939 -11.645 -5.050 1.00 0.00 H new ATOM 0 HE2 MET A 17 -3.418 -10.540 -3.756 1.00 0.00 H new ATOM 0 HE3 MET A 17 -4.092 -12.135 -3.346 1.00 0.00 H new ATOM 264 N GLN A 18 -6.218 -5.800 -3.778 1.00 0.00 N ATOM 265 CA GLN A 18 -5.854 -4.473 -4.242 1.00 0.00 C ATOM 266 C GLN A 18 -6.803 -3.426 -3.657 1.00 0.00 C ATOM 267 O GLN A 18 -6.361 -2.388 -3.166 1.00 0.00 O ATOM 268 CB GLN A 18 -5.841 -4.410 -5.771 1.00 0.00 C ATOM 269 CG GLN A 18 -5.560 -2.988 -6.259 1.00 0.00 C ATOM 270 CD GLN A 18 -6.552 -2.576 -7.348 1.00 0.00 C ATOM 271 OE1 GLN A 18 -6.412 -2.910 -8.512 1.00 0.00 O ATOM 272 NE2 GLN A 18 -7.563 -1.832 -6.904 1.00 0.00 N ATOM 0 H GLN A 18 -6.529 -6.437 -4.511 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.845 -4.253 -3.894 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.082 -5.088 -6.160 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.801 -4.749 -6.161 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -5.624 -2.293 -5.422 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.543 -2.927 -6.647 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -7.621 -1.588 -5.915 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -8.280 -1.506 -7.552 1.00 0.00 H new ATOM 281 N GLN A 19 -8.090 -3.734 -3.731 1.00 0.00 N ATOM 282 CA GLN A 19 -9.105 -2.833 -3.215 1.00 0.00 C ATOM 283 C GLN A 19 -9.075 -2.817 -1.685 1.00 0.00 C ATOM 284 O GLN A 19 -9.098 -1.753 -1.071 1.00 0.00 O ATOM 285 CB GLN A 19 -10.494 -3.217 -3.731 1.00 0.00 C ATOM 286 CG GLN A 19 -11.469 -2.046 -3.607 1.00 0.00 C ATOM 287 CD GLN A 19 -11.369 -1.393 -2.225 1.00 0.00 C ATOM 288 OE1 GLN A 19 -11.645 -1.999 -1.204 1.00 0.00 O ATOM 289 NE2 GLN A 19 -10.960 -0.129 -2.253 1.00 0.00 N ATOM 0 H GLN A 19 -8.452 -4.595 -4.141 1.00 0.00 H new ATOM 0 HA GLN A 19 -8.885 -1.828 -3.574 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.425 -3.528 -4.773 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -10.872 -4.070 -3.168 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -11.255 -1.307 -4.379 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -12.487 -2.397 -3.775 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -10.745 0.318 -3.144 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -10.861 0.394 -1.383 1.00 0.00 H new ATOM 298 N ASP A 20 -9.022 -4.012 -1.114 1.00 0.00 N ATOM 299 CA ASP A 20 -8.989 -4.150 0.332 1.00 0.00 C ATOM 300 C ASP A 20 -7.773 -3.400 0.882 1.00 0.00 C ATOM 301 O ASP A 20 -7.885 -2.665 1.863 1.00 0.00 O ATOM 302 CB ASP A 20 -8.863 -5.619 0.743 1.00 0.00 C ATOM 303 CG ASP A 20 -9.120 -5.899 2.224 1.00 0.00 C ATOM 304 OD1 ASP A 20 -10.230 -6.288 2.617 1.00 0.00 O ATOM 305 OD2 ASP A 20 -8.109 -5.700 3.000 1.00 0.00 O ATOM 0 H ASP A 20 -9.001 -4.893 -1.627 1.00 0.00 H new ATOM 0 HA ASP A 20 -9.918 -3.742 0.732 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -9.563 -6.208 0.150 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.861 -5.967 0.491 1.00 0.00 H new ATOM 311 N ALA A 21 -6.640 -3.613 0.228 1.00 0.00 N ATOM 312 CA ALA A 21 -5.406 -2.966 0.641 1.00 0.00 C ATOM 313 C ALA A 21 -5.541 -1.454 0.453 1.00 0.00 C ATOM 314 O ALA A 21 -5.532 -0.701 1.425 1.00 0.00 O ATOM 315 CB ALA A 21 -4.235 -3.550 -0.151 1.00 0.00 C ATOM 0 H ALA A 21 -6.551 -4.224 -0.584 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.210 -3.150 1.697 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.309 -3.065 0.158 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.165 -4.621 0.039 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.395 -3.381 -1.216 1.00 0.00 H new ATOM 321 N VAL A 22 -5.662 -1.054 -0.804 1.00 0.00 N ATOM 322 CA VAL A 22 -5.797 0.355 -1.132 1.00 0.00 C ATOM 323 C VAL A 22 -6.867 0.983 -0.234 1.00 0.00 C ATOM 324 O VAL A 22 -6.847 2.188 0.013 1.00 0.00 O ATOM 325 CB VAL A 22 -6.099 0.520 -2.623 1.00 0.00 C ATOM 326 CG1 VAL A 22 -7.606 0.499 -2.884 1.00 0.00 C ATOM 327 CG2 VAL A 22 -5.465 1.799 -3.173 1.00 0.00 C ATOM 0 H VAL A 22 -5.669 -1.681 -1.608 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.861 0.881 -0.943 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.657 -0.326 -3.149 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.792 0.618 -3.951 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -8.020 -0.451 -2.547 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -8.081 1.315 -2.340 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.695 1.892 -4.234 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.863 2.661 -2.639 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.384 1.756 -3.038 1.00 0.00 H new ATOM 337 N ASP A 23 -7.777 0.137 0.229 1.00 0.00 N ATOM 338 CA ASP A 23 -8.851 0.592 1.093 1.00 0.00 C ATOM 339 C ASP A 23 -8.264 1.057 2.427 1.00 0.00 C ATOM 340 O ASP A 23 -8.346 2.236 2.768 1.00 0.00 O ATOM 341 CB ASP A 23 -9.843 -0.536 1.381 1.00 0.00 C ATOM 342 CG ASP A 23 -11.245 -0.329 0.800 1.00 0.00 C ATOM 343 OD1 ASP A 23 -11.491 0.630 0.055 1.00 0.00 O ATOM 344 OD2 ASP A 23 -12.114 -1.216 1.147 1.00 0.00 O ATOM 0 H ASP A 23 -7.791 -0.861 0.021 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.369 1.406 0.586 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.436 -1.467 0.986 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.928 -0.658 2.461 1.00 0.00 H new ATOM 350 N CYS A 24 -7.686 0.106 3.146 1.00 0.00 N ATOM 351 CA CYS A 24 -7.086 0.403 4.435 1.00 0.00 C ATOM 352 C CYS A 24 -6.073 1.533 4.245 1.00 0.00 C ATOM 353 O CYS A 24 -5.924 2.392 5.114 1.00 0.00 O ATOM 354 CB CYS A 24 -6.445 -0.838 5.060 1.00 0.00 C ATOM 355 SG CYS A 24 -7.743 -2.028 5.560 1.00 0.00 S ATOM 0 H CYS A 24 -7.621 -0.871 2.860 1.00 0.00 H new ATOM 0 HA CYS A 24 -7.859 0.723 5.133 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -5.767 -1.306 4.346 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -5.849 -0.552 5.926 1.00 0.00 H new ATOM 0 HG CYS A 24 -7.285 -2.800 6.500 1.00 0.00 H new ATOM 361 N ALA A 25 -5.403 1.498 3.103 1.00 0.00 N ATOM 362 CA ALA A 25 -4.408 2.509 2.787 1.00 0.00 C ATOM 363 C ALA A 25 -5.080 3.884 2.742 1.00 0.00 C ATOM 364 O ALA A 25 -4.829 4.729 3.599 1.00 0.00 O ATOM 365 CB ALA A 25 -3.719 2.153 1.469 1.00 0.00 C ATOM 0 H ALA A 25 -5.529 0.785 2.385 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.638 2.544 3.558 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.973 2.911 1.232 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.232 1.182 1.563 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.460 2.111 0.671 1.00 0.00 H new ATOM 371 N THR A 26 -5.920 4.062 1.733 1.00 0.00 N ATOM 372 CA THR A 26 -6.629 5.318 1.564 1.00 0.00 C ATOM 373 C THR A 26 -7.248 5.763 2.892 1.00 0.00 C ATOM 374 O THR A 26 -7.051 6.898 3.323 1.00 0.00 O ATOM 375 CB THR A 26 -7.657 5.135 0.446 1.00 0.00 C ATOM 376 OG1 THR A 26 -6.867 4.994 -0.732 1.00 0.00 O ATOM 377 CG2 THR A 26 -8.481 6.400 0.194 1.00 0.00 C ATOM 0 H THR A 26 -6.125 3.357 1.025 1.00 0.00 H new ATOM 0 HA THR A 26 -5.950 6.119 1.272 1.00 0.00 H new ATOM 0 HB THR A 26 -8.325 4.312 0.699 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.633 4.051 -0.858 1.00 0.00 H new ATOM 0 HG21 THR A 26 -9.195 6.215 -0.609 1.00 0.00 H new ATOM 0 HG22 THR A 26 -9.019 6.671 1.103 1.00 0.00 H new ATOM 0 HG23 THR A 26 -7.817 7.216 -0.092 1.00 0.00 H new ATOM 385 N GLN A 27 -7.985 4.846 3.502 1.00 0.00 N ATOM 386 CA GLN A 27 -8.633 5.129 4.770 1.00 0.00 C ATOM 387 C GLN A 27 -7.609 5.625 5.791 1.00 0.00 C ATOM 388 O GLN A 27 -7.898 6.520 6.585 1.00 0.00 O ATOM 389 CB GLN A 27 -9.378 3.899 5.293 1.00 0.00 C ATOM 390 CG GLN A 27 -10.890 4.135 5.297 1.00 0.00 C ATOM 391 CD GLN A 27 -11.280 5.171 6.353 1.00 0.00 C ATOM 392 OE1 GLN A 27 -10.447 5.848 6.932 1.00 0.00 O ATOM 393 NE2 GLN A 27 -12.590 5.257 6.570 1.00 0.00 N ATOM 0 H GLN A 27 -8.147 3.906 3.141 1.00 0.00 H new ATOM 0 HA GLN A 27 -9.369 5.917 4.611 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -9.143 3.035 4.671 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.040 3.667 6.303 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -11.211 4.475 4.313 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -11.408 3.196 5.495 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -13.233 4.660 6.050 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -12.951 5.920 7.256 1.00 0.00 H new ATOM 402 N ALA A 28 -6.431 5.020 5.741 1.00 0.00 N ATOM 403 CA ALA A 28 -5.361 5.388 6.652 1.00 0.00 C ATOM 404 C ALA A 28 -5.051 6.878 6.493 1.00 0.00 C ATOM 405 O ALA A 28 -5.102 7.633 7.464 1.00 0.00 O ATOM 406 CB ALA A 28 -4.138 4.508 6.386 1.00 0.00 C ATOM 0 H ALA A 28 -6.194 4.277 5.083 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.664 5.222 7.686 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.335 4.784 7.070 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.402 3.462 6.540 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.804 4.650 5.358 1.00 0.00 H new ATOM 412 N LEU A 29 -4.737 7.257 5.263 1.00 0.00 N ATOM 413 CA LEU A 29 -4.420 8.644 4.966 1.00 0.00 C ATOM 414 C LEU A 29 -5.670 9.503 5.164 1.00 0.00 C ATOM 415 O LEU A 29 -5.584 10.728 5.220 1.00 0.00 O ATOM 416 CB LEU A 29 -3.807 8.764 3.569 1.00 0.00 C ATOM 417 CG LEU A 29 -2.677 9.785 3.419 1.00 0.00 C ATOM 418 CD1 LEU A 29 -3.164 11.197 3.755 1.00 0.00 C ATOM 419 CD2 LEU A 29 -1.461 9.385 4.257 1.00 0.00 C ATOM 0 H LEU A 29 -4.695 6.628 4.461 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.664 9.018 5.656 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.427 7.785 3.275 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.600 9.023 2.867 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.361 9.793 2.376 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.341 11.903 3.640 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.975 11.472 3.081 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.523 11.223 4.784 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.673 10.128 4.132 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.745 9.331 5.308 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.097 8.411 3.929 1.00 0.00 H new ATOM 431 N GLU A 30 -6.805 8.825 5.266 1.00 0.00 N ATOM 432 CA GLU A 30 -8.071 9.511 5.458 1.00 0.00 C ATOM 433 C GLU A 30 -8.439 9.544 6.943 1.00 0.00 C ATOM 434 O GLU A 30 -9.487 10.067 7.316 1.00 0.00 O ATOM 435 CB GLU A 30 -9.181 8.855 4.633 1.00 0.00 C ATOM 436 CG GLU A 30 -9.963 9.899 3.835 1.00 0.00 C ATOM 437 CD GLU A 30 -11.001 10.598 4.715 1.00 0.00 C ATOM 438 OE1 GLU A 30 -10.763 11.722 5.184 1.00 0.00 O ATOM 439 OE2 GLU A 30 -12.090 9.933 4.906 1.00 0.00 O ATOM 0 H GLU A 30 -6.873 7.808 5.219 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.961 10.538 5.109 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.748 8.122 3.952 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -9.859 8.315 5.294 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.275 10.637 3.422 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.460 9.420 2.991 1.00 0.00 H new ATOM 447 N LYS A 31 -7.552 8.979 7.751 1.00 0.00 N ATOM 448 CA LYS A 31 -7.770 8.938 9.187 1.00 0.00 C ATOM 449 C LYS A 31 -6.530 9.479 9.902 1.00 0.00 C ATOM 450 O LYS A 31 -6.642 10.301 10.810 1.00 0.00 O ATOM 451 CB LYS A 31 -8.167 7.528 9.627 1.00 0.00 C ATOM 452 CG LYS A 31 -8.121 7.395 11.151 1.00 0.00 C ATOM 453 CD LYS A 31 -9.512 7.107 11.719 1.00 0.00 C ATOM 454 CE LYS A 31 -9.466 6.983 13.244 1.00 0.00 C ATOM 455 NZ LYS A 31 -10.823 7.133 13.815 1.00 0.00 N ATOM 0 H LYS A 31 -6.683 8.547 7.438 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.605 9.581 9.465 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.171 7.301 9.269 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.495 6.799 9.174 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.438 6.593 11.429 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.729 8.313 11.588 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -10.197 7.906 11.436 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.902 6.185 11.287 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -9.052 6.014 13.524 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.804 7.744 13.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.776 7.046 14.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -11.204 8.067 13.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -11.444 6.391 13.434 1.00 0.00 H new ATOM 467 N TYR A 32 -5.376 8.997 9.465 1.00 0.00 N ATOM 468 CA TYR A 32 -4.116 9.422 10.051 1.00 0.00 C ATOM 469 C TYR A 32 -3.440 10.485 9.184 1.00 0.00 C ATOM 470 O TYR A 32 -3.723 10.592 7.992 1.00 0.00 O ATOM 471 CB TYR A 32 -3.230 8.176 10.095 1.00 0.00 C ATOM 472 CG TYR A 32 -3.520 7.247 11.276 1.00 0.00 C ATOM 473 CD1 TYR A 32 -4.650 6.455 11.269 1.00 0.00 C ATOM 474 CD2 TYR A 32 -2.652 7.203 12.348 1.00 0.00 C ATOM 475 CE1 TYR A 32 -4.923 5.581 12.381 1.00 0.00 C ATOM 476 CE2 TYR A 32 -2.925 6.328 13.459 1.00 0.00 C ATOM 477 CZ TYR A 32 -4.047 5.560 13.421 1.00 0.00 C ATOM 478 OH TYR A 32 -4.304 4.736 14.471 1.00 0.00 O ATOM 0 H TYR A 32 -5.287 8.316 8.711 1.00 0.00 H new ATOM 0 HA TYR A 32 -4.278 9.854 11.039 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -3.359 7.618 9.167 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -2.186 8.486 10.138 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -5.329 6.490 10.430 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.769 7.824 12.354 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -5.804 4.956 12.389 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -2.254 6.283 14.304 1.00 0.00 H new ATOM 0 HH TYR A 32 -3.593 4.826 15.139 1.00 0.00 H new ATOM 488 N ASN A 33 -2.556 11.244 9.815 1.00 0.00 N ATOM 489 CA ASN A 33 -1.836 12.295 9.117 1.00 0.00 C ATOM 490 C ASN A 33 -0.337 11.989 9.151 1.00 0.00 C ATOM 491 O ASN A 33 0.457 12.687 8.523 1.00 0.00 O ATOM 492 CB ASN A 33 -2.057 13.653 9.787 1.00 0.00 C ATOM 493 CG ASN A 33 -1.555 14.791 8.897 1.00 0.00 C ATOM 494 OD1 ASN A 33 -2.105 15.083 7.848 1.00 0.00 O ATOM 495 ND2 ASN A 33 -0.480 15.415 9.371 1.00 0.00 N ATOM 0 H ASN A 33 -2.322 11.152 10.803 1.00 0.00 H new ATOM 0 HA ASN A 33 -2.206 12.334 8.092 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -3.118 13.791 9.996 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -1.537 13.679 10.745 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -0.067 16.188 8.849 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -0.068 15.120 10.257 1.00 0.00 H new ATOM 502 N ILE A 34 0.004 10.946 9.892 1.00 0.00 N ATOM 503 CA ILE A 34 1.394 10.540 10.016 1.00 0.00 C ATOM 504 C ILE A 34 1.644 9.315 9.132 1.00 0.00 C ATOM 505 O ILE A 34 1.141 8.229 9.415 1.00 0.00 O ATOM 506 CB ILE A 34 1.759 10.321 11.485 1.00 0.00 C ATOM 507 CG1 ILE A 34 1.344 11.523 12.338 1.00 0.00 C ATOM 508 CG2 ILE A 34 3.247 9.997 11.638 1.00 0.00 C ATOM 509 CD1 ILE A 34 0.257 11.134 13.342 1.00 0.00 C ATOM 0 H ILE A 34 -0.657 10.370 10.413 1.00 0.00 H new ATOM 0 HA ILE A 34 2.055 11.331 9.661 1.00 0.00 H new ATOM 0 HB ILE A 34 1.202 9.458 11.850 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.212 11.913 12.869 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.979 12.322 11.693 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.480 9.846 12.692 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.481 9.090 11.081 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.841 10.824 11.250 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.019 12.006 13.935 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.619 10.767 12.806 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.633 10.352 14.001 1.00 0.00 H new ATOM 521 N GLU A 35 2.419 9.533 8.081 1.00 0.00 N ATOM 522 CA GLU A 35 2.742 8.460 7.154 1.00 0.00 C ATOM 523 C GLU A 35 3.250 7.236 7.917 1.00 0.00 C ATOM 524 O GLU A 35 2.737 6.132 7.739 1.00 0.00 O ATOM 525 CB GLU A 35 3.766 8.924 6.115 1.00 0.00 C ATOM 526 CG GLU A 35 4.481 7.730 5.480 1.00 0.00 C ATOM 527 CD GLU A 35 5.880 7.551 6.074 1.00 0.00 C ATOM 528 OE1 GLU A 35 6.613 8.537 6.245 1.00 0.00 O ATOM 529 OE2 GLU A 35 6.199 6.334 6.362 1.00 0.00 O ATOM 0 H GLU A 35 2.833 10.436 7.850 1.00 0.00 H new ATOM 0 HA GLU A 35 1.834 8.180 6.620 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.266 9.507 5.341 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.496 9.581 6.587 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.896 6.824 5.639 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.555 7.877 4.402 1.00 0.00 H new ATOM 537 N LYS A 36 4.255 7.470 8.749 1.00 0.00 N ATOM 538 CA LYS A 36 4.838 6.399 9.538 1.00 0.00 C ATOM 539 C LYS A 36 3.720 5.533 10.121 1.00 0.00 C ATOM 540 O LYS A 36 3.743 4.311 9.990 1.00 0.00 O ATOM 541 CB LYS A 36 5.789 6.968 10.594 1.00 0.00 C ATOM 542 CG LYS A 36 7.094 7.448 9.955 1.00 0.00 C ATOM 543 CD LYS A 36 7.817 8.442 10.864 1.00 0.00 C ATOM 544 CE LYS A 36 8.887 9.216 10.090 1.00 0.00 C ATOM 545 NZ LYS A 36 9.189 10.498 10.764 1.00 0.00 N ATOM 0 H LYS A 36 4.680 8.386 8.893 1.00 0.00 H new ATOM 0 HA LYS A 36 5.448 5.751 8.908 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.308 7.797 11.113 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.005 6.206 11.342 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.741 6.594 9.757 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.882 7.917 8.994 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.097 9.139 11.292 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.278 7.910 11.696 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.794 8.616 10.013 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.543 9.405 9.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.917 11.010 10.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.325 11.075 10.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.537 10.311 11.726 1.00 0.00 H new ATOM 557 N ASP A 37 2.766 6.202 10.754 1.00 0.00 N ATOM 558 CA ASP A 37 1.640 5.508 11.358 1.00 0.00 C ATOM 559 C ASP A 37 0.760 4.917 10.255 1.00 0.00 C ATOM 560 O ASP A 37 0.141 3.872 10.445 1.00 0.00 O ATOM 561 CB ASP A 37 0.782 6.468 12.183 1.00 0.00 C ATOM 562 CG ASP A 37 0.674 6.124 13.671 1.00 0.00 C ATOM 563 OD1 ASP A 37 1.106 6.897 14.539 1.00 0.00 O ATOM 564 OD2 ASP A 37 0.112 4.992 13.928 1.00 0.00 O ATOM 0 H ASP A 37 2.750 7.216 10.862 1.00 0.00 H new ATOM 0 HA ASP A 37 2.034 4.726 12.007 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.193 7.473 12.087 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.221 6.492 11.757 1.00 0.00 H new ATOM 570 N ILE A 38 0.734 5.611 9.127 1.00 0.00 N ATOM 571 CA ILE A 38 -0.059 5.166 7.994 1.00 0.00 C ATOM 572 C ILE A 38 0.495 3.837 7.478 1.00 0.00 C ATOM 573 O ILE A 38 -0.142 2.796 7.628 1.00 0.00 O ATOM 574 CB ILE A 38 -0.128 6.259 6.925 1.00 0.00 C ATOM 575 CG1 ILE A 38 -0.818 7.513 7.466 1.00 0.00 C ATOM 576 CG2 ILE A 38 -0.796 5.741 5.651 1.00 0.00 C ATOM 577 CD1 ILE A 38 -2.283 7.562 7.028 1.00 0.00 C ATOM 0 H ILE A 38 1.249 6.478 8.973 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.089 4.985 8.300 1.00 0.00 H new ATOM 0 HB ILE A 38 0.891 6.541 6.660 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.759 7.524 8.554 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.298 8.402 7.109 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.832 6.538 4.909 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.223 4.902 5.255 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.810 5.413 5.880 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.752 8.462 7.425 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.337 7.575 5.939 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.806 6.684 7.407 1.00 0.00 H new ATOM 589 N ALA A 39 1.676 3.915 6.882 1.00 0.00 N ATOM 590 CA ALA A 39 2.322 2.732 6.344 1.00 0.00 C ATOM 591 C ALA A 39 2.424 1.668 7.439 1.00 0.00 C ATOM 592 O ALA A 39 2.369 0.472 7.157 1.00 0.00 O ATOM 593 CB ALA A 39 3.690 3.111 5.771 1.00 0.00 C ATOM 0 H ALA A 39 2.202 4.780 6.760 1.00 0.00 H new ATOM 0 HA ALA A 39 1.732 2.312 5.529 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.174 2.222 5.367 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.561 3.846 4.977 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.310 3.535 6.561 1.00 0.00 H new ATOM 599 N ALA A 40 2.571 2.143 8.667 1.00 0.00 N ATOM 600 CA ALA A 40 2.681 1.248 9.807 1.00 0.00 C ATOM 601 C ALA A 40 1.349 0.524 10.013 1.00 0.00 C ATOM 602 O ALA A 40 1.326 -0.638 10.416 1.00 0.00 O ATOM 603 CB ALA A 40 3.110 2.043 11.042 1.00 0.00 C ATOM 0 H ALA A 40 2.617 3.136 8.898 1.00 0.00 H new ATOM 0 HA ALA A 40 3.443 0.490 9.627 1.00 0.00 H new ATOM 0 HB1 ALA A 40 3.192 1.371 11.897 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.076 2.512 10.855 1.00 0.00 H new ATOM 0 HB3 ALA A 40 2.368 2.812 11.255 1.00 0.00 H new ATOM 609 N TYR A 41 0.273 1.241 9.724 1.00 0.00 N ATOM 610 CA TYR A 41 -1.060 0.681 9.873 1.00 0.00 C ATOM 611 C TYR A 41 -1.346 -0.351 8.780 1.00 0.00 C ATOM 612 O TYR A 41 -1.959 -1.385 9.044 1.00 0.00 O ATOM 613 CB TYR A 41 -2.029 1.854 9.715 1.00 0.00 C ATOM 614 CG TYR A 41 -3.504 1.457 9.792 1.00 0.00 C ATOM 615 CD1 TYR A 41 -4.032 0.988 10.978 1.00 0.00 C ATOM 616 CD2 TYR A 41 -4.308 1.568 8.674 1.00 0.00 C ATOM 617 CE1 TYR A 41 -5.422 0.615 11.049 1.00 0.00 C ATOM 618 CE2 TYR A 41 -5.696 1.194 8.747 1.00 0.00 C ATOM 619 CZ TYR A 41 -6.185 0.736 9.930 1.00 0.00 C ATOM 620 OH TYR A 41 -7.497 0.382 9.998 1.00 0.00 O ATOM 0 H TYR A 41 0.297 2.204 9.388 1.00 0.00 H new ATOM 0 HA TYR A 41 -1.161 0.181 10.836 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -1.821 2.591 10.491 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -1.843 2.339 8.757 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -3.404 0.901 11.852 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -3.895 1.935 7.746 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -5.848 0.247 11.971 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -6.335 1.275 7.880 1.00 0.00 H new ATOM 0 HH TYR A 41 -7.919 0.522 9.125 1.00 0.00 H new ATOM 630 N ILE A 42 -0.889 -0.034 7.577 1.00 0.00 N ATOM 631 CA ILE A 42 -1.088 -0.922 6.445 1.00 0.00 C ATOM 632 C ILE A 42 -0.277 -2.203 6.657 1.00 0.00 C ATOM 633 O ILE A 42 -0.838 -3.297 6.688 1.00 0.00 O ATOM 634 CB ILE A 42 -0.765 -0.201 5.135 1.00 0.00 C ATOM 635 CG1 ILE A 42 -1.483 1.150 5.061 1.00 0.00 C ATOM 636 CG2 ILE A 42 -1.082 -1.084 3.929 1.00 0.00 C ATOM 637 CD1 ILE A 42 -1.049 1.934 3.822 1.00 0.00 C ATOM 0 H ILE A 42 -0.382 0.825 7.362 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.135 -1.215 6.372 1.00 0.00 H new ATOM 0 HB ILE A 42 0.306 0.001 5.112 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.561 0.992 5.037 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.266 1.731 5.958 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.843 -0.546 3.011 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.488 -1.997 3.980 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.142 -1.340 3.934 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.574 2.889 3.794 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.026 2.111 3.862 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.289 1.361 2.926 1.00 0.00 H new ATOM 649 N LYS A 43 1.028 -2.023 6.796 1.00 0.00 N ATOM 650 CA LYS A 43 1.920 -3.150 7.004 1.00 0.00 C ATOM 651 C LYS A 43 1.385 -4.013 8.148 1.00 0.00 C ATOM 652 O LYS A 43 1.248 -5.228 8.003 1.00 0.00 O ATOM 653 CB LYS A 43 3.355 -2.664 7.219 1.00 0.00 C ATOM 654 CG LYS A 43 4.207 -3.749 7.882 1.00 0.00 C ATOM 655 CD LYS A 43 4.547 -3.372 9.326 1.00 0.00 C ATOM 656 CE LYS A 43 5.676 -2.341 9.371 1.00 0.00 C ATOM 657 NZ LYS A 43 6.921 -2.958 9.884 1.00 0.00 N ATOM 0 H LYS A 43 1.489 -1.113 6.769 1.00 0.00 H new ATOM 0 HA LYS A 43 1.951 -3.781 6.116 1.00 0.00 H new ATOM 0 HB2 LYS A 43 3.796 -2.385 6.262 1.00 0.00 H new ATOM 0 HB3 LYS A 43 3.350 -1.769 7.841 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.671 -4.698 7.867 1.00 0.00 H new ATOM 0 HG3 LYS A 43 5.126 -3.893 7.314 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.662 -2.969 9.819 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.842 -4.264 9.879 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.848 -1.937 8.373 1.00 0.00 H new ATOM 0 HE3 LYS A 43 5.388 -1.505 10.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.677 -2.245 9.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.758 -3.322 10.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 7.203 -3.741 9.260 1.00 0.00 H new ATOM 669 N LYS A 44 1.099 -3.354 9.260 1.00 0.00 N ATOM 670 CA LYS A 44 0.583 -4.046 10.430 1.00 0.00 C ATOM 671 C LYS A 44 -0.772 -4.673 10.089 1.00 0.00 C ATOM 672 O LYS A 44 -1.109 -5.744 10.591 1.00 0.00 O ATOM 673 CB LYS A 44 0.539 -3.104 11.634 1.00 0.00 C ATOM 674 CG LYS A 44 -0.009 -3.821 12.871 1.00 0.00 C ATOM 675 CD LYS A 44 -0.019 -2.890 14.085 1.00 0.00 C ATOM 676 CE LYS A 44 -1.256 -1.989 14.074 1.00 0.00 C ATOM 677 NZ LYS A 44 -2.071 -2.212 15.289 1.00 0.00 N ATOM 0 H LYS A 44 1.215 -2.347 9.377 1.00 0.00 H new ATOM 0 HA LYS A 44 1.249 -4.860 10.716 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.540 -2.726 11.842 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.086 -2.241 11.403 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.020 -4.176 12.672 1.00 0.00 H new ATOM 0 HG3 LYS A 44 0.600 -4.699 13.087 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.003 -3.481 15.001 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.882 -2.277 14.085 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.951 -0.944 14.020 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.854 -2.193 13.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.906 -1.593 15.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.377 -3.205 15.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.503 -1.995 16.133 1.00 0.00 H new ATOM 689 N GLU A 45 -1.512 -3.977 9.239 1.00 0.00 N ATOM 690 CA GLU A 45 -2.821 -4.451 8.825 1.00 0.00 C ATOM 691 C GLU A 45 -2.722 -5.875 8.275 1.00 0.00 C ATOM 692 O GLU A 45 -3.287 -6.806 8.845 1.00 0.00 O ATOM 693 CB GLU A 45 -3.447 -3.508 7.795 1.00 0.00 C ATOM 694 CG GLU A 45 -4.763 -2.925 8.313 1.00 0.00 C ATOM 695 CD GLU A 45 -5.881 -3.969 8.263 1.00 0.00 C ATOM 696 OE1 GLU A 45 -6.081 -4.711 9.234 1.00 0.00 O ATOM 697 OE2 GLU A 45 -6.556 -3.991 7.163 1.00 0.00 O ATOM 0 H GLU A 45 -1.230 -3.088 8.826 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.472 -4.465 9.699 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.752 -2.700 7.567 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.625 -4.047 6.865 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.632 -2.575 9.337 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.042 -2.058 7.714 1.00 0.00 H new ATOM 705 N PHE A 46 -1.998 -5.999 7.171 1.00 0.00 N ATOM 706 CA PHE A 46 -1.816 -7.294 6.537 1.00 0.00 C ATOM 707 C PHE A 46 -0.850 -8.167 7.342 1.00 0.00 C ATOM 708 O PHE A 46 -1.151 -9.323 7.635 1.00 0.00 O ATOM 709 CB PHE A 46 -1.217 -7.033 5.154 1.00 0.00 C ATOM 710 CG PHE A 46 -2.260 -6.781 4.062 1.00 0.00 C ATOM 711 CD1 PHE A 46 -3.385 -7.545 4.008 1.00 0.00 C ATOM 712 CD2 PHE A 46 -2.062 -5.796 3.148 1.00 0.00 C ATOM 713 CE1 PHE A 46 -4.353 -7.310 2.996 1.00 0.00 C ATOM 714 CE2 PHE A 46 -3.029 -5.562 2.136 1.00 0.00 C ATOM 715 CZ PHE A 46 -4.154 -6.324 2.081 1.00 0.00 C ATOM 0 H PHE A 46 -1.531 -5.224 6.700 1.00 0.00 H new ATOM 0 HA PHE A 46 -2.771 -7.817 6.475 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -0.553 -6.171 5.214 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -0.605 -7.888 4.867 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -3.541 -8.329 4.734 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.169 -5.191 3.191 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -5.247 -7.914 2.953 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -2.871 -4.779 1.409 1.00 0.00 H new ATOM 0 HZ PHE A 46 -4.890 -6.146 1.310 1.00 0.00 H new ATOM 725 N ASP A 47 0.290 -7.580 7.676 1.00 0.00 N ATOM 726 CA ASP A 47 1.301 -8.292 8.439 1.00 0.00 C ATOM 727 C ASP A 47 0.619 -9.147 9.509 1.00 0.00 C ATOM 728 O ASP A 47 1.033 -10.277 9.762 1.00 0.00 O ATOM 729 CB ASP A 47 2.245 -7.315 9.146 1.00 0.00 C ATOM 730 CG ASP A 47 3.268 -7.965 10.078 1.00 0.00 C ATOM 731 OD1 ASP A 47 2.907 -8.633 11.058 1.00 0.00 O ATOM 732 OD2 ASP A 47 4.503 -7.762 9.760 1.00 0.00 O ATOM 0 H ASP A 47 0.536 -6.620 7.433 1.00 0.00 H new ATOM 0 HA ASP A 47 1.872 -8.911 7.747 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.779 -6.738 8.391 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.648 -6.609 9.723 1.00 0.00 H new ATOM 738 N LYS A 48 -0.415 -8.575 10.108 1.00 0.00 N ATOM 739 CA LYS A 48 -1.159 -9.270 11.144 1.00 0.00 C ATOM 740 C LYS A 48 -1.327 -10.738 10.748 1.00 0.00 C ATOM 741 O LYS A 48 -0.736 -11.623 11.363 1.00 0.00 O ATOM 742 CB LYS A 48 -2.480 -8.553 11.429 1.00 0.00 C ATOM 743 CG LYS A 48 -3.327 -9.343 12.429 1.00 0.00 C ATOM 744 CD LYS A 48 -3.035 -8.897 13.864 1.00 0.00 C ATOM 745 CE LYS A 48 -4.174 -8.035 14.412 1.00 0.00 C ATOM 746 NZ LYS A 48 -4.712 -8.620 15.660 1.00 0.00 N ATOM 0 H LYS A 48 -0.755 -7.637 9.895 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.607 -9.255 12.084 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.280 -7.557 11.823 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.035 -8.422 10.500 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.385 -9.201 12.208 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.120 -10.408 12.326 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.898 -9.772 14.500 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.102 -8.334 13.891 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.814 -7.024 14.603 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.968 -7.955 13.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.484 -8.023 16.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.074 -9.576 15.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.956 -8.673 16.372 1.00 0.00 H new ATOM 758 N LYS A 49 -2.136 -10.950 9.720 1.00 0.00 N ATOM 759 CA LYS A 49 -2.390 -12.296 9.232 1.00 0.00 C ATOM 760 C LYS A 49 -2.595 -12.255 7.718 1.00 0.00 C ATOM 761 O LYS A 49 -3.712 -12.432 7.234 1.00 0.00 O ATOM 762 CB LYS A 49 -3.556 -12.929 9.993 1.00 0.00 C ATOM 763 CG LYS A 49 -3.049 -13.864 11.094 1.00 0.00 C ATOM 764 CD LYS A 49 -4.164 -14.197 12.088 1.00 0.00 C ATOM 765 CE LYS A 49 -3.606 -14.353 13.505 1.00 0.00 C ATOM 766 NZ LYS A 49 -4.238 -13.378 14.420 1.00 0.00 N ATOM 0 H LYS A 49 -2.624 -10.213 9.211 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.529 -12.938 9.420 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -4.176 -12.147 10.432 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.188 -13.486 9.301 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.668 -14.783 10.649 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.217 -13.395 11.619 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.916 -13.408 12.074 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.662 -15.118 11.786 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.786 -15.367 13.864 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.526 -14.205 13.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.849 -13.497 15.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.045 -12.412 14.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.265 -13.538 14.442 1.00 0.00 H new ATOM 778 N TYR A 50 -1.499 -12.019 7.010 1.00 0.00 N ATOM 779 CA TYR A 50 -1.545 -11.951 5.560 1.00 0.00 C ATOM 780 C TYR A 50 -0.191 -12.325 4.951 1.00 0.00 C ATOM 781 O TYR A 50 0.204 -11.775 3.924 1.00 0.00 O ATOM 782 CB TYR A 50 -1.863 -10.496 5.214 1.00 0.00 C ATOM 783 CG TYR A 50 -2.444 -10.301 3.812 1.00 0.00 C ATOM 784 CD1 TYR A 50 -3.594 -10.968 3.444 1.00 0.00 C ATOM 785 CD2 TYR A 50 -1.818 -9.458 2.917 1.00 0.00 C ATOM 786 CE1 TYR A 50 -4.142 -10.786 2.124 1.00 0.00 C ATOM 787 CE2 TYR A 50 -2.365 -9.275 1.597 1.00 0.00 C ATOM 788 CZ TYR A 50 -3.500 -9.949 1.267 1.00 0.00 C ATOM 789 OH TYR A 50 -4.016 -9.774 0.020 1.00 0.00 O ATOM 0 H TYR A 50 -0.574 -11.873 7.415 1.00 0.00 H new ATOM 0 HA TYR A 50 -2.288 -12.644 5.167 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.570 -10.106 5.946 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -0.952 -9.905 5.304 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -4.084 -11.627 4.146 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -0.918 -8.935 3.206 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -5.041 -11.302 1.823 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -1.886 -8.618 0.886 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.293 -9.564 -0.607 1.00 0.00 H new ATOM 799 N ASN A 51 0.481 -13.257 5.609 1.00 0.00 N ATOM 800 CA ASN A 51 1.781 -13.711 5.146 1.00 0.00 C ATOM 801 C ASN A 51 2.816 -12.611 5.392 1.00 0.00 C ATOM 802 O ASN A 51 3.305 -11.992 4.448 1.00 0.00 O ATOM 803 CB ASN A 51 1.757 -14.011 3.647 1.00 0.00 C ATOM 804 CG ASN A 51 2.124 -15.471 3.373 1.00 0.00 C ATOM 805 OD1 ASN A 51 2.066 -16.325 4.242 1.00 0.00 O ATOM 806 ND2 ASN A 51 2.502 -15.708 2.121 1.00 0.00 N ATOM 0 H ASN A 51 0.149 -13.711 6.460 1.00 0.00 H new ATOM 0 HA ASN A 51 2.036 -14.620 5.691 1.00 0.00 H new ATOM 0 HB2 ASN A 51 0.765 -13.800 3.246 1.00 0.00 H new ATOM 0 HB3 ASN A 51 2.456 -13.354 3.130 1.00 0.00 H new ATOM 0 HD21 ASN A 51 2.766 -16.652 1.838 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.528 -14.946 1.443 1.00 0.00 H new ATOM 813 N PRO A 52 3.128 -12.395 6.698 1.00 0.00 N ATOM 814 CA PRO A 52 4.096 -11.382 7.079 1.00 0.00 C ATOM 815 C PRO A 52 5.523 -11.845 6.779 1.00 0.00 C ATOM 816 O PRO A 52 5.764 -13.035 6.578 1.00 0.00 O ATOM 817 CB PRO A 52 3.849 -11.140 8.558 1.00 0.00 C ATOM 818 CG PRO A 52 3.074 -12.350 9.055 1.00 0.00 C ATOM 819 CD PRO A 52 2.569 -13.111 7.841 1.00 0.00 C ATOM 0 HA PRO A 52 3.982 -10.458 6.513 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.789 -11.030 9.098 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.282 -10.222 8.714 1.00 0.00 H new ATOM 0 HG2 PRO A 52 3.713 -12.987 9.667 1.00 0.00 H new ATOM 0 HG3 PRO A 52 2.240 -12.037 9.684 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.900 -14.149 7.858 1.00 0.00 H new ATOM 0 HD3 PRO A 52 1.480 -13.124 7.806 1.00 0.00 H new ATOM 827 N THR A 53 6.432 -10.883 6.759 1.00 0.00 N ATOM 828 CA THR A 53 6.063 -9.499 7.007 1.00 0.00 C ATOM 829 C THR A 53 6.000 -8.719 5.691 1.00 0.00 C ATOM 830 O THR A 53 6.581 -9.137 4.690 1.00 0.00 O ATOM 831 CB THR A 53 7.060 -8.917 8.012 1.00 0.00 C ATOM 832 OG1 THR A 53 6.850 -7.510 7.933 1.00 0.00 O ATOM 833 CG2 THR A 53 8.511 -9.103 7.570 1.00 0.00 C ATOM 0 H THR A 53 7.424 -11.034 6.575 1.00 0.00 H new ATOM 0 HA THR A 53 5.065 -9.427 7.439 1.00 0.00 H new ATOM 0 HB THR A 53 6.914 -9.388 8.984 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.065 -7.266 8.466 1.00 0.00 H new ATOM 0 HG21 THR A 53 9.177 -8.673 8.318 1.00 0.00 H new ATOM 0 HG22 THR A 53 8.725 -10.166 7.462 1.00 0.00 H new ATOM 0 HG23 THR A 53 8.667 -8.603 6.614 1.00 0.00 H new ATOM 841 N TRP A 54 5.291 -7.602 5.738 1.00 0.00 N ATOM 842 CA TRP A 54 5.144 -6.760 4.562 1.00 0.00 C ATOM 843 C TRP A 54 5.985 -5.499 4.776 1.00 0.00 C ATOM 844 O TRP A 54 6.464 -5.249 5.881 1.00 0.00 O ATOM 845 CB TRP A 54 3.671 -6.455 4.286 1.00 0.00 C ATOM 846 CG TRP A 54 2.809 -7.700 4.061 1.00 0.00 C ATOM 847 CD1 TRP A 54 2.443 -8.623 4.962 1.00 0.00 C ATOM 848 CD2 TRP A 54 2.218 -8.123 2.815 1.00 0.00 C ATOM 849 NE1 TRP A 54 1.662 -9.606 4.389 1.00 0.00 N ATOM 850 CE2 TRP A 54 1.521 -9.292 3.042 1.00 0.00 C ATOM 851 CE3 TRP A 54 2.271 -7.539 1.538 1.00 0.00 C ATOM 852 CZ2 TRP A 54 0.824 -9.977 2.040 1.00 0.00 C ATOM 853 CZ3 TRP A 54 1.569 -8.233 0.546 1.00 0.00 C ATOM 854 CH2 TRP A 54 0.862 -9.412 0.759 1.00 0.00 C ATOM 0 H TRP A 54 4.812 -7.260 6.571 1.00 0.00 H new ATOM 0 HA TRP A 54 5.506 -7.274 3.672 1.00 0.00 H new ATOM 0 HB2 TRP A 54 3.264 -5.891 5.125 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.602 -5.814 3.407 1.00 0.00 H new ATOM 0 HD1 TRP A 54 2.724 -8.600 6.005 1.00 0.00 H new ATOM 0 HE1 TRP A 54 1.262 -10.414 4.866 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.811 -6.626 1.338 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.286 -10.891 2.244 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.577 -7.825 -0.454 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.345 -9.890 -0.060 1.00 0.00 H new ATOM 865 N HIS A 55 6.139 -4.740 3.701 1.00 0.00 N ATOM 866 CA HIS A 55 6.913 -3.512 3.757 1.00 0.00 C ATOM 867 C HIS A 55 6.226 -2.433 2.919 1.00 0.00 C ATOM 868 O HIS A 55 5.924 -2.651 1.746 1.00 0.00 O ATOM 869 CB HIS A 55 8.361 -3.762 3.330 1.00 0.00 C ATOM 870 CG HIS A 55 9.065 -4.822 4.141 1.00 0.00 C ATOM 871 ND1 HIS A 55 10.035 -4.526 5.083 1.00 0.00 N ATOM 872 CD2 HIS A 55 8.932 -6.181 4.141 1.00 0.00 C ATOM 873 CE1 HIS A 55 10.458 -5.660 5.621 1.00 0.00 C ATOM 874 NE2 HIS A 55 9.774 -6.686 5.034 1.00 0.00 N ATOM 0 H HIS A 55 5.741 -4.952 2.786 1.00 0.00 H new ATOM 0 HA HIS A 55 6.956 -3.152 4.785 1.00 0.00 H new ATOM 0 HB2 HIS A 55 8.374 -4.054 2.280 1.00 0.00 H new ATOM 0 HB3 HIS A 55 8.919 -2.829 3.409 1.00 0.00 H new ATOM 0 HD1 HIS A 55 10.368 -3.592 5.322 1.00 0.00 H new ATOM 0 HD2 HIS A 55 8.256 -6.749 3.519 1.00 0.00 H new ATOM 0 HE1 HIS A 55 11.211 -5.756 6.389 1.00 0.00 H new ATOM 882 N CYS A 56 5.998 -1.292 3.551 1.00 0.00 N ATOM 883 CA CYS A 56 5.352 -0.177 2.878 1.00 0.00 C ATOM 884 C CYS A 56 6.359 0.970 2.773 1.00 0.00 C ATOM 885 O CYS A 56 7.103 1.236 3.715 1.00 0.00 O ATOM 886 CB CYS A 56 4.071 0.251 3.597 1.00 0.00 C ATOM 887 SG CYS A 56 2.853 0.876 2.383 1.00 0.00 S ATOM 0 H CYS A 56 6.249 -1.115 4.524 1.00 0.00 H new ATOM 0 HA CYS A 56 5.045 -0.481 1.877 1.00 0.00 H new ATOM 0 HB2 CYS A 56 3.652 -0.593 4.144 1.00 0.00 H new ATOM 0 HB3 CYS A 56 4.297 1.025 4.330 1.00 0.00 H new ATOM 0 HG CYS A 56 1.702 1.035 2.966 1.00 0.00 H new ATOM 893 N ILE A 57 6.350 1.618 1.617 1.00 0.00 N ATOM 894 CA ILE A 57 7.254 2.730 1.376 1.00 0.00 C ATOM 895 C ILE A 57 6.443 3.959 0.963 1.00 0.00 C ATOM 896 O ILE A 57 5.364 3.831 0.384 1.00 0.00 O ATOM 897 CB ILE A 57 8.331 2.335 0.364 1.00 0.00 C ATOM 898 CG1 ILE A 57 9.090 1.091 0.828 1.00 0.00 C ATOM 899 CG2 ILE A 57 9.271 3.508 0.080 1.00 0.00 C ATOM 900 CD1 ILE A 57 10.232 1.468 1.774 1.00 0.00 C ATOM 0 H ILE A 57 5.731 1.394 0.838 1.00 0.00 H new ATOM 0 HA ILE A 57 7.789 2.992 2.289 1.00 0.00 H new ATOM 0 HB ILE A 57 7.841 2.080 -0.575 1.00 0.00 H new ATOM 0 HG12 ILE A 57 8.405 0.409 1.332 1.00 0.00 H new ATOM 0 HG13 ILE A 57 9.489 0.560 -0.036 1.00 0.00 H new ATOM 0 HG21 ILE A 57 10.028 3.201 -0.642 1.00 0.00 H new ATOM 0 HG22 ILE A 57 8.699 4.343 -0.326 1.00 0.00 H new ATOM 0 HG23 ILE A 57 9.757 3.817 1.005 1.00 0.00 H new ATOM 0 HD11 ILE A 57 10.756 0.566 2.090 1.00 0.00 H new ATOM 0 HD12 ILE A 57 10.928 2.130 1.259 1.00 0.00 H new ATOM 0 HD13 ILE A 57 9.827 1.977 2.649 1.00 0.00 H new ATOM 912 N VAL A 58 6.991 5.125 1.276 1.00 0.00 N ATOM 913 CA VAL A 58 6.332 6.376 0.944 1.00 0.00 C ATOM 914 C VAL A 58 7.357 7.347 0.353 1.00 0.00 C ATOM 915 O VAL A 58 8.112 7.980 1.088 1.00 0.00 O ATOM 916 CB VAL A 58 5.621 6.936 2.178 1.00 0.00 C ATOM 917 CG1 VAL A 58 6.589 7.072 3.354 1.00 0.00 C ATOM 918 CG2 VAL A 58 4.948 8.273 1.864 1.00 0.00 C ATOM 0 H VAL A 58 7.885 5.229 1.756 1.00 0.00 H new ATOM 0 HA VAL A 58 5.564 6.214 0.188 1.00 0.00 H new ATOM 0 HB VAL A 58 4.843 6.229 2.465 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.058 7.472 4.218 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.000 6.093 3.602 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.400 7.748 3.082 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.450 8.649 2.758 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.700 8.991 1.539 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.213 8.133 1.071 1.00 0.00 H new ATOM 928 N GLY A 59 7.350 7.431 -0.969 1.00 0.00 N ATOM 929 CA GLY A 59 8.270 8.313 -1.667 1.00 0.00 C ATOM 930 C GLY A 59 7.604 8.941 -2.893 1.00 0.00 C ATOM 931 O GLY A 59 6.885 9.931 -2.774 1.00 0.00 O ATOM 0 H GLY A 59 6.722 6.903 -1.575 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.610 9.098 -0.991 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.153 7.753 -1.975 1.00 0.00 H new ATOM 935 N ARG A 60 7.866 8.337 -4.042 1.00 0.00 N ATOM 936 CA ARG A 60 7.302 8.824 -5.289 1.00 0.00 C ATOM 937 C ARG A 60 7.237 7.695 -6.321 1.00 0.00 C ATOM 938 O ARG A 60 6.235 7.543 -7.018 1.00 0.00 O ATOM 939 CB ARG A 60 8.131 9.976 -5.858 1.00 0.00 C ATOM 940 CG ARG A 60 9.629 9.672 -5.764 1.00 0.00 C ATOM 941 CD ARG A 60 10.461 10.887 -6.175 1.00 0.00 C ATOM 942 NE ARG A 60 11.680 10.447 -6.891 1.00 0.00 N ATOM 943 CZ ARG A 60 12.340 11.201 -7.797 1.00 0.00 C ATOM 944 NH1 ARG A 60 11.904 12.440 -8.105 1.00 0.00 N ATOM 945 NH2 ARG A 60 13.419 10.706 -8.375 1.00 0.00 N ATOM 0 H ARG A 60 8.462 7.514 -4.136 1.00 0.00 H new ATOM 0 HA ARG A 60 6.296 9.186 -5.076 1.00 0.00 H new ATOM 0 HB2 ARG A 60 7.856 10.148 -6.899 1.00 0.00 H new ATOM 0 HB3 ARG A 60 7.907 10.893 -5.313 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.882 9.382 -4.744 1.00 0.00 H new ATOM 0 HG3 ARG A 60 9.873 8.826 -6.406 1.00 0.00 H new ATOM 0 HD2 ARG A 60 9.870 11.543 -6.815 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.736 11.465 -5.293 1.00 0.00 H new ATOM 0 HE ARG A 60 12.044 9.516 -6.687 1.00 0.00 H new ATOM 0 HH11 ARG A 60 11.070 12.814 -7.653 1.00 0.00 H new ATOM 0 HH12 ARG A 60 12.408 13.002 -8.790 1.00 0.00 H new ATOM 0 HH21 ARG A 60 13.742 9.769 -8.135 1.00 0.00 H new ATOM 0 HH22 ARG A 60 13.930 11.261 -9.061 1.00 0.00 H new ATOM 958 N ASN A 61 8.318 6.931 -6.383 1.00 0.00 N ATOM 959 CA ASN A 61 8.396 5.820 -7.316 1.00 0.00 C ATOM 960 C ASN A 61 8.680 4.530 -6.543 1.00 0.00 C ATOM 961 O ASN A 61 8.564 4.497 -5.320 1.00 0.00 O ATOM 962 CB ASN A 61 9.530 6.026 -8.322 1.00 0.00 C ATOM 963 CG ASN A 61 8.982 6.149 -9.747 1.00 0.00 C ATOM 964 OD1 ASN A 61 7.982 6.799 -10.001 1.00 0.00 O ATOM 965 ND2 ASN A 61 9.692 5.490 -10.658 1.00 0.00 N ATOM 0 H ASN A 61 9.147 7.060 -5.802 1.00 0.00 H new ATOM 0 HA ASN A 61 7.447 5.759 -7.848 1.00 0.00 H new ATOM 0 HB2 ASN A 61 10.090 6.925 -8.065 1.00 0.00 H new ATOM 0 HB3 ASN A 61 10.227 5.189 -8.267 1.00 0.00 H new ATOM 0 HD21 ASN A 61 9.409 5.510 -11.638 1.00 0.00 H new ATOM 0 HD22 ASN A 61 10.520 4.965 -10.377 1.00 0.00 H new ATOM 972 N PHE A 62 9.045 3.498 -7.291 1.00 0.00 N ATOM 973 CA PHE A 62 9.345 2.209 -6.692 1.00 0.00 C ATOM 974 C PHE A 62 10.807 2.141 -6.244 1.00 0.00 C ATOM 975 O PHE A 62 11.360 3.128 -5.762 1.00 0.00 O ATOM 976 CB PHE A 62 9.104 1.149 -7.768 1.00 0.00 C ATOM 977 CG PHE A 62 7.875 1.417 -8.640 1.00 0.00 C ATOM 978 CD1 PHE A 62 6.659 0.931 -8.268 1.00 0.00 C ATOM 979 CD2 PHE A 62 7.998 2.139 -9.785 1.00 0.00 C ATOM 980 CE1 PHE A 62 5.519 1.179 -9.078 1.00 0.00 C ATOM 981 CE2 PHE A 62 6.856 2.387 -10.594 1.00 0.00 C ATOM 982 CZ PHE A 62 5.641 1.901 -10.223 1.00 0.00 C ATOM 0 H PHE A 62 9.140 3.529 -8.306 1.00 0.00 H new ATOM 0 HA PHE A 62 8.716 2.050 -5.816 1.00 0.00 H new ATOM 0 HB2 PHE A 62 9.985 1.088 -8.408 1.00 0.00 H new ATOM 0 HB3 PHE A 62 8.991 0.177 -7.288 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.561 0.358 -7.358 1.00 0.00 H new ATOM 0 HD2 PHE A 62 8.963 2.524 -10.080 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.554 0.793 -8.784 1.00 0.00 H new ATOM 0 HE2 PHE A 62 6.953 2.961 -11.503 1.00 0.00 H new ATOM 0 HZ PHE A 62 4.773 2.089 -10.838 1.00 0.00 H new ATOM 992 N GLY A 63 11.390 0.964 -6.418 1.00 0.00 N ATOM 993 CA GLY A 63 12.777 0.752 -6.038 1.00 0.00 C ATOM 994 C GLY A 63 13.480 -0.180 -7.026 1.00 0.00 C ATOM 995 O GLY A 63 13.247 -0.104 -8.231 1.00 0.00 O ATOM 0 H GLY A 63 10.927 0.147 -6.817 1.00 0.00 H new ATOM 0 HA2 GLY A 63 13.298 1.709 -6.001 1.00 0.00 H new ATOM 0 HA3 GLY A 63 12.822 0.326 -5.036 1.00 0.00 H new ATOM 999 N SER A 64 14.329 -1.039 -6.479 1.00 0.00 N ATOM 1000 CA SER A 64 15.067 -1.985 -7.296 1.00 0.00 C ATOM 1001 C SER A 64 14.100 -2.801 -8.156 1.00 0.00 C ATOM 1002 O SER A 64 14.210 -2.814 -9.380 1.00 0.00 O ATOM 1003 CB SER A 64 15.921 -2.913 -6.429 1.00 0.00 C ATOM 1004 OG SER A 64 16.375 -2.267 -5.243 1.00 0.00 O ATOM 0 H SER A 64 14.521 -1.099 -5.479 1.00 0.00 H new ATOM 0 HA SER A 64 15.737 -1.424 -7.948 1.00 0.00 H new ATOM 0 HB2 SER A 64 15.340 -3.796 -6.161 1.00 0.00 H new ATOM 0 HB3 SER A 64 16.779 -3.259 -7.005 1.00 0.00 H new ATOM 0 HG SER A 64 16.915 -2.892 -4.716 1.00 0.00 H new ATOM 1010 N TYR A 65 13.174 -3.467 -7.479 1.00 0.00 N ATOM 1011 CA TYR A 65 12.188 -4.283 -8.164 1.00 0.00 C ATOM 1012 C TYR A 65 12.856 -5.450 -8.896 1.00 0.00 C ATOM 1013 O TYR A 65 12.755 -6.598 -8.466 1.00 0.00 O ATOM 1014 CB TYR A 65 11.521 -3.367 -9.191 1.00 0.00 C ATOM 1015 CG TYR A 65 10.022 -3.164 -8.964 1.00 0.00 C ATOM 1016 CD1 TYR A 65 9.583 -2.297 -7.984 1.00 0.00 C ATOM 1017 CD2 TYR A 65 9.108 -3.848 -9.740 1.00 0.00 C ATOM 1018 CE1 TYR A 65 8.172 -2.107 -7.771 1.00 0.00 C ATOM 1019 CE2 TYR A 65 7.696 -3.657 -9.525 1.00 0.00 C ATOM 1020 CZ TYR A 65 7.298 -2.796 -8.551 1.00 0.00 C ATOM 1021 OH TYR A 65 5.966 -2.616 -8.349 1.00 0.00 O ATOM 0 H TYR A 65 13.087 -3.457 -6.463 1.00 0.00 H new ATOM 0 HA TYR A 65 11.475 -4.701 -7.453 1.00 0.00 H new ATOM 0 HB2 TYR A 65 12.016 -2.396 -9.172 1.00 0.00 H new ATOM 0 HB3 TYR A 65 11.674 -3.783 -10.187 1.00 0.00 H new ATOM 0 HD1 TYR A 65 10.298 -1.761 -7.377 1.00 0.00 H new ATOM 0 HD2 TYR A 65 9.451 -4.526 -10.508 1.00 0.00 H new ATOM 0 HE1 TYR A 65 7.816 -1.431 -7.008 1.00 0.00 H new ATOM 0 HE2 TYR A 65 6.970 -4.186 -10.124 1.00 0.00 H new ATOM 0 HH TYR A 65 5.550 -3.475 -8.127 1.00 0.00 H new ATOM 1031 N VAL A 66 13.524 -5.115 -9.992 1.00 0.00 N ATOM 1032 CA VAL A 66 14.207 -6.119 -10.788 1.00 0.00 C ATOM 1033 C VAL A 66 15.557 -6.441 -10.144 1.00 0.00 C ATOM 1034 O VAL A 66 16.597 -6.344 -10.793 1.00 0.00 O ATOM 1035 CB VAL A 66 14.333 -5.642 -12.236 1.00 0.00 C ATOM 1036 CG1 VAL A 66 14.999 -4.266 -12.304 1.00 0.00 C ATOM 1037 CG2 VAL A 66 15.096 -6.662 -13.085 1.00 0.00 C ATOM 0 H VAL A 66 13.606 -4.162 -10.346 1.00 0.00 H new ATOM 0 HA VAL A 66 13.630 -7.044 -10.814 1.00 0.00 H new ATOM 0 HB VAL A 66 13.328 -5.549 -12.646 1.00 0.00 H new ATOM 0 HG11 VAL A 66 15.076 -3.950 -13.344 1.00 0.00 H new ATOM 0 HG12 VAL A 66 14.400 -3.544 -11.749 1.00 0.00 H new ATOM 0 HG13 VAL A 66 15.996 -4.322 -11.867 1.00 0.00 H new ATOM 0 HG21 VAL A 66 15.171 -6.299 -14.110 1.00 0.00 H new ATOM 0 HG22 VAL A 66 16.096 -6.801 -12.675 1.00 0.00 H new ATOM 0 HG23 VAL A 66 14.564 -7.613 -13.076 1.00 0.00 H new ATOM 1047 N THR A 67 15.498 -6.817 -8.875 1.00 0.00 N ATOM 1048 CA THR A 67 16.703 -7.153 -8.136 1.00 0.00 C ATOM 1049 C THR A 67 16.383 -8.148 -7.018 1.00 0.00 C ATOM 1050 O THR A 67 16.815 -9.297 -7.063 1.00 0.00 O ATOM 1051 CB THR A 67 17.327 -5.852 -7.632 1.00 0.00 C ATOM 1052 OG1 THR A 67 17.772 -5.197 -8.818 1.00 0.00 O ATOM 1053 CG2 THR A 67 18.611 -6.088 -6.834 1.00 0.00 C ATOM 0 H THR A 67 14.634 -6.896 -8.339 1.00 0.00 H new ATOM 0 HA THR A 67 17.432 -7.653 -8.774 1.00 0.00 H new ATOM 0 HB THR A 67 16.605 -5.322 -7.011 1.00 0.00 H new ATOM 0 HG1 THR A 67 17.676 -5.803 -9.582 1.00 0.00 H new ATOM 0 HG21 THR A 67 19.013 -5.131 -6.500 1.00 0.00 H new ATOM 0 HG22 THR A 67 18.391 -6.712 -5.968 1.00 0.00 H new ATOM 0 HG23 THR A 67 19.345 -6.589 -7.465 1.00 0.00 H new ATOM 1061 N HIS A 68 15.630 -7.666 -6.041 1.00 0.00 N ATOM 1062 CA HIS A 68 15.247 -8.497 -4.912 1.00 0.00 C ATOM 1063 C HIS A 68 13.864 -9.101 -5.164 1.00 0.00 C ATOM 1064 O HIS A 68 13.537 -10.159 -4.630 1.00 0.00 O ATOM 1065 CB HIS A 68 15.319 -7.707 -3.604 1.00 0.00 C ATOM 1066 CG HIS A 68 16.536 -8.017 -2.765 1.00 0.00 C ATOM 1067 ND1 HIS A 68 17.657 -7.205 -2.739 1.00 0.00 N ATOM 1068 CD2 HIS A 68 16.794 -9.058 -1.921 1.00 0.00 C ATOM 1069 CE1 HIS A 68 18.543 -7.742 -1.915 1.00 0.00 C ATOM 1070 NE2 HIS A 68 18.007 -8.891 -1.411 1.00 0.00 N ATOM 0 H HIS A 68 15.275 -6.711 -6.007 1.00 0.00 H new ATOM 0 HA HIS A 68 15.952 -9.322 -4.809 1.00 0.00 H new ATOM 0 HB2 HIS A 68 15.311 -6.642 -3.834 1.00 0.00 H new ATOM 0 HB3 HIS A 68 14.424 -7.913 -3.017 1.00 0.00 H new ATOM 0 HD2 HIS A 68 16.125 -9.878 -1.705 1.00 0.00 H new ATOM 0 HE1 HIS A 68 19.519 -7.341 -1.683 1.00 0.00 H new ATOM 0 HE2 HIS A 68 18.464 -9.519 -0.750 1.00 0.00 H new ATOM 1078 N GLU A 69 13.088 -8.400 -5.979 1.00 0.00 N ATOM 1079 CA GLU A 69 11.747 -8.853 -6.309 1.00 0.00 C ATOM 1080 C GLU A 69 10.875 -8.888 -5.052 1.00 0.00 C ATOM 1081 O GLU A 69 11.385 -8.811 -3.935 1.00 0.00 O ATOM 1082 CB GLU A 69 11.783 -10.222 -6.989 1.00 0.00 C ATOM 1083 CG GLU A 69 12.378 -10.120 -8.395 1.00 0.00 C ATOM 1084 CD GLU A 69 13.375 -11.253 -8.653 1.00 0.00 C ATOM 1085 OE1 GLU A 69 13.319 -12.292 -7.978 1.00 0.00 O ATOM 1086 OE2 GLU A 69 14.227 -11.025 -9.594 1.00 0.00 O ATOM 0 H GLU A 69 13.362 -7.522 -6.420 1.00 0.00 H new ATOM 0 HA GLU A 69 11.308 -8.146 -7.013 1.00 0.00 H new ATOM 0 HB2 GLU A 69 12.374 -10.914 -6.389 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.774 -10.630 -7.046 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.579 -10.158 -9.135 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.877 -9.158 -8.514 1.00 0.00 H new ATOM 1094 N THR A 70 9.574 -9.005 -5.277 1.00 0.00 N ATOM 1095 CA THR A 70 8.626 -9.052 -4.176 1.00 0.00 C ATOM 1096 C THR A 70 7.402 -9.884 -4.562 1.00 0.00 C ATOM 1097 O THR A 70 6.689 -9.545 -5.504 1.00 0.00 O ATOM 1098 CB THR A 70 8.284 -7.612 -3.787 1.00 0.00 C ATOM 1099 OG1 THR A 70 7.523 -7.125 -4.888 1.00 0.00 O ATOM 1100 CG2 THR A 70 9.515 -6.706 -3.754 1.00 0.00 C ATOM 0 H THR A 70 9.154 -9.069 -6.205 1.00 0.00 H new ATOM 0 HA THR A 70 9.055 -9.547 -3.305 1.00 0.00 H new ATOM 0 HB THR A 70 7.803 -7.606 -2.809 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.962 -7.846 -5.242 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.216 -5.696 -3.473 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.229 -7.089 -3.025 1.00 0.00 H new ATOM 0 HG23 THR A 70 9.978 -6.686 -4.740 1.00 0.00 H new ATOM 1108 N ARG A 71 7.196 -10.959 -3.814 1.00 0.00 N ATOM 1109 CA ARG A 71 6.071 -11.841 -4.065 1.00 0.00 C ATOM 1110 C ARG A 71 4.852 -11.034 -4.517 1.00 0.00 C ATOM 1111 O ARG A 71 4.409 -11.159 -5.658 1.00 0.00 O ATOM 1112 CB ARG A 71 5.708 -12.643 -2.813 1.00 0.00 C ATOM 1113 CG ARG A 71 6.704 -13.780 -2.582 1.00 0.00 C ATOM 1114 CD ARG A 71 6.565 -14.856 -3.661 1.00 0.00 C ATOM 1115 NE ARG A 71 5.821 -16.018 -3.125 1.00 0.00 N ATOM 1116 CZ ARG A 71 5.944 -17.279 -3.593 1.00 0.00 C ATOM 1117 NH1 ARG A 71 6.785 -17.551 -4.614 1.00 0.00 N ATOM 1118 NH2 ARG A 71 5.230 -18.240 -3.039 1.00 0.00 N ATOM 0 H ARG A 71 7.791 -11.238 -3.034 1.00 0.00 H new ATOM 0 HA ARG A 71 6.364 -12.534 -4.854 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.696 -11.983 -1.945 1.00 0.00 H new ATOM 0 HB3 ARG A 71 4.703 -13.051 -2.917 1.00 0.00 H new ATOM 0 HG2 ARG A 71 7.720 -13.385 -2.586 1.00 0.00 H new ATOM 0 HG3 ARG A 71 6.537 -14.221 -1.599 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.044 -14.449 -4.527 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.551 -15.171 -4.001 1.00 0.00 H new ATOM 0 HE ARG A 71 5.174 -15.856 -2.353 1.00 0.00 H new ATOM 0 HH11 ARG A 71 7.333 -16.802 -5.037 1.00 0.00 H new ATOM 0 HH12 ARG A 71 6.873 -18.506 -4.962 1.00 0.00 H new ATOM 0 HH21 ARG A 71 4.597 -18.025 -2.269 1.00 0.00 H new ATOM 0 HH22 ARG A 71 5.311 -19.198 -3.381 1.00 0.00 H new ATOM 1131 N HIS A 72 4.347 -10.223 -3.599 1.00 0.00 N ATOM 1132 CA HIS A 72 3.189 -9.395 -3.889 1.00 0.00 C ATOM 1133 C HIS A 72 3.472 -7.951 -3.471 1.00 0.00 C ATOM 1134 O HIS A 72 4.290 -7.707 -2.585 1.00 0.00 O ATOM 1135 CB HIS A 72 1.933 -9.968 -3.229 1.00 0.00 C ATOM 1136 CG HIS A 72 0.957 -10.589 -4.198 1.00 0.00 C ATOM 1137 ND1 HIS A 72 -0.358 -10.864 -3.867 1.00 0.00 N ATOM 1138 CD2 HIS A 72 1.120 -10.988 -5.494 1.00 0.00 C ATOM 1139 CE1 HIS A 72 -0.951 -11.403 -4.922 1.00 0.00 C ATOM 1140 NE2 HIS A 72 -0.034 -11.480 -5.929 1.00 0.00 N ATOM 0 H HIS A 72 4.718 -10.122 -2.654 1.00 0.00 H new ATOM 0 HA HIS A 72 2.998 -9.395 -4.962 1.00 0.00 H new ATOM 0 HB2 HIS A 72 2.230 -10.720 -2.498 1.00 0.00 H new ATOM 0 HB3 HIS A 72 1.428 -9.172 -2.681 1.00 0.00 H new ATOM 0 HD2 HIS A 72 2.032 -10.916 -6.067 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -1.980 -11.725 -4.975 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -0.206 -11.854 -6.862 1.00 0.00 H new ATOM 1148 N PHE A 73 2.783 -7.032 -4.130 1.00 0.00 N ATOM 1149 CA PHE A 73 2.951 -5.618 -3.839 1.00 0.00 C ATOM 1150 C PHE A 73 1.873 -4.783 -4.533 1.00 0.00 C ATOM 1151 O PHE A 73 1.110 -5.301 -5.347 1.00 0.00 O ATOM 1152 CB PHE A 73 4.322 -5.209 -4.379 1.00 0.00 C ATOM 1153 CG PHE A 73 4.637 -5.772 -5.767 1.00 0.00 C ATOM 1154 CD1 PHE A 73 5.163 -7.019 -5.892 1.00 0.00 C ATOM 1155 CD2 PHE A 73 4.391 -5.023 -6.875 1.00 0.00 C ATOM 1156 CE1 PHE A 73 5.454 -7.541 -7.181 1.00 0.00 C ATOM 1157 CE2 PHE A 73 4.682 -5.544 -8.163 1.00 0.00 C ATOM 1158 CZ PHE A 73 5.208 -6.792 -8.289 1.00 0.00 C ATOM 0 H PHE A 73 2.107 -7.239 -4.865 1.00 0.00 H new ATOM 0 HA PHE A 73 2.870 -5.448 -2.765 1.00 0.00 H new ATOM 0 HB2 PHE A 73 4.376 -4.121 -4.419 1.00 0.00 H new ATOM 0 HB3 PHE A 73 5.090 -5.541 -3.681 1.00 0.00 H new ATOM 0 HD1 PHE A 73 5.360 -7.613 -5.012 1.00 0.00 H new ATOM 0 HD2 PHE A 73 3.974 -4.032 -6.775 1.00 0.00 H new ATOM 0 HE1 PHE A 73 5.870 -8.532 -7.281 1.00 0.00 H new ATOM 0 HE2 PHE A 73 4.486 -4.949 -9.043 1.00 0.00 H new ATOM 0 HZ PHE A 73 5.430 -7.188 -9.269 1.00 0.00 H new ATOM 1168 N ILE A 74 1.845 -3.505 -4.186 1.00 0.00 N ATOM 1169 CA ILE A 74 0.874 -2.593 -4.766 1.00 0.00 C ATOM 1170 C ILE A 74 1.359 -1.154 -4.582 1.00 0.00 C ATOM 1171 O ILE A 74 1.536 -0.694 -3.455 1.00 0.00 O ATOM 1172 CB ILE A 74 -0.518 -2.852 -4.184 1.00 0.00 C ATOM 1173 CG1 ILE A 74 -1.422 -1.629 -4.359 1.00 0.00 C ATOM 1174 CG2 ILE A 74 -0.428 -3.295 -2.723 1.00 0.00 C ATOM 1175 CD1 ILE A 74 -2.869 -1.960 -3.991 1.00 0.00 C ATOM 0 H ILE A 74 2.479 -3.079 -3.510 1.00 0.00 H new ATOM 0 HA ILE A 74 0.783 -2.765 -5.839 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.974 -3.671 -4.740 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -1.061 -0.813 -3.733 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.376 -1.283 -5.392 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.431 -3.472 -2.334 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.155 -4.214 -2.657 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.056 -2.515 -2.135 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -3.490 -1.074 -4.124 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.235 -2.760 -4.635 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -2.915 -2.283 -2.951 1.00 0.00 H new ATOM 1187 N TYR A 75 1.558 -0.482 -5.706 1.00 0.00 N ATOM 1188 CA TYR A 75 2.020 0.897 -5.684 1.00 0.00 C ATOM 1189 C TYR A 75 0.938 1.843 -6.207 1.00 0.00 C ATOM 1190 O TYR A 75 0.593 1.806 -7.388 1.00 0.00 O ATOM 1191 CB TYR A 75 3.228 0.952 -6.621 1.00 0.00 C ATOM 1192 CG TYR A 75 3.563 2.358 -7.118 1.00 0.00 C ATOM 1193 CD1 TYR A 75 4.276 3.223 -6.315 1.00 0.00 C ATOM 1194 CD2 TYR A 75 3.154 2.762 -8.374 1.00 0.00 C ATOM 1195 CE1 TYR A 75 4.592 4.548 -6.783 1.00 0.00 C ATOM 1196 CE2 TYR A 75 3.471 4.087 -8.842 1.00 0.00 C ATOM 1197 CZ TYR A 75 4.174 4.914 -8.024 1.00 0.00 C ATOM 1198 OH TYR A 75 4.472 6.165 -8.467 1.00 0.00 O ATOM 0 H TYR A 75 1.408 -0.866 -6.639 1.00 0.00 H new ATOM 0 HA TYR A 75 2.267 1.205 -4.668 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.096 0.544 -6.103 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.038 0.309 -7.481 1.00 0.00 H new ATOM 0 HD1 TYR A 75 4.598 2.907 -5.334 1.00 0.00 H new ATOM 0 HD2 TYR A 75 2.597 2.085 -9.005 1.00 0.00 H new ATOM 0 HE1 TYR A 75 5.148 5.235 -6.162 1.00 0.00 H new ATOM 0 HE2 TYR A 75 3.157 4.416 -9.822 1.00 0.00 H new ATOM 0 HH TYR A 75 5.297 6.476 -8.039 1.00 0.00 H new ATOM 1208 N PHE A 76 0.435 2.673 -5.304 1.00 0.00 N ATOM 1209 CA PHE A 76 -0.599 3.629 -5.660 1.00 0.00 C ATOM 1210 C PHE A 76 -0.342 4.985 -4.999 1.00 0.00 C ATOM 1211 O PHE A 76 0.622 5.144 -4.253 1.00 0.00 O ATOM 1212 CB PHE A 76 -1.925 3.066 -5.145 1.00 0.00 C ATOM 1213 CG PHE A 76 -1.889 2.630 -3.678 1.00 0.00 C ATOM 1214 CD1 PHE A 76 -1.110 1.582 -3.300 1.00 0.00 C ATOM 1215 CD2 PHE A 76 -2.635 3.291 -2.754 1.00 0.00 C ATOM 1216 CE1 PHE A 76 -1.076 1.176 -1.939 1.00 0.00 C ATOM 1217 CE2 PHE A 76 -2.601 2.887 -1.393 1.00 0.00 C ATOM 1218 CZ PHE A 76 -1.822 1.838 -1.015 1.00 0.00 C ATOM 0 H PHE A 76 0.725 2.703 -4.327 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.613 3.778 -6.740 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -2.701 3.821 -5.270 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -2.209 2.212 -5.760 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -0.517 1.058 -4.035 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -3.254 4.124 -3.055 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.458 0.343 -1.639 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -3.193 3.412 -0.658 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.796 1.531 0.020 1.00 0.00 H new ATOM 1228 N TYR A 77 -1.224 5.928 -5.297 1.00 0.00 N ATOM 1229 CA TYR A 77 -1.106 7.266 -4.741 1.00 0.00 C ATOM 1230 C TYR A 77 -2.156 7.503 -3.655 1.00 0.00 C ATOM 1231 O TYR A 77 -3.355 7.388 -3.909 1.00 0.00 O ATOM 1232 CB TYR A 77 -1.362 8.229 -5.902 1.00 0.00 C ATOM 1233 CG TYR A 77 -0.871 9.655 -5.647 1.00 0.00 C ATOM 1234 CD1 TYR A 77 0.470 9.892 -5.413 1.00 0.00 C ATOM 1235 CD2 TYR A 77 -1.765 10.705 -5.650 1.00 0.00 C ATOM 1236 CE1 TYR A 77 0.932 11.234 -5.173 1.00 0.00 C ATOM 1237 CE2 TYR A 77 -1.303 12.047 -5.411 1.00 0.00 C ATOM 1238 CZ TYR A 77 0.024 12.245 -5.184 1.00 0.00 C ATOM 1239 OH TYR A 77 0.461 13.512 -4.958 1.00 0.00 O ATOM 0 H TYR A 77 -2.023 5.792 -5.916 1.00 0.00 H new ATOM 0 HA TYR A 77 -0.125 7.409 -4.289 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -0.873 7.842 -6.796 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -2.432 8.256 -6.109 1.00 0.00 H new ATOM 0 HD1 TYR A 77 1.171 9.071 -5.410 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -2.813 10.520 -5.832 1.00 0.00 H new ATOM 0 HE1 TYR A 77 1.977 11.433 -4.988 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -1.993 12.877 -5.412 1.00 0.00 H new ATOM 0 HH TYR A 77 1.219 13.491 -4.337 1.00 0.00 H new ATOM 1249 N LEU A 78 -1.670 7.829 -2.467 1.00 0.00 N ATOM 1250 CA LEU A 78 -2.551 8.085 -1.340 1.00 0.00 C ATOM 1251 C LEU A 78 -2.623 9.590 -1.085 1.00 0.00 C ATOM 1252 O LEU A 78 -1.704 10.170 -0.509 1.00 0.00 O ATOM 1253 CB LEU A 78 -2.111 7.273 -0.120 1.00 0.00 C ATOM 1254 CG LEU A 78 -3.220 6.529 0.627 1.00 0.00 C ATOM 1255 CD1 LEU A 78 -4.031 5.651 -0.327 1.00 0.00 C ATOM 1256 CD2 LEU A 78 -2.648 5.727 1.799 1.00 0.00 C ATOM 0 H LEU A 78 -0.676 7.922 -2.260 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.564 7.752 -1.566 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.366 6.545 -0.442 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.617 7.946 0.581 1.00 0.00 H new ATOM 0 HG LEU A 78 -3.905 7.267 1.045 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -4.812 5.134 0.230 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.486 6.274 -1.097 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -3.373 4.918 -0.795 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.456 5.208 2.313 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -1.929 4.998 1.425 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.151 6.403 2.494 1.00 0.00 H new ATOM 1268 N GLY A 79 -3.724 10.182 -1.525 1.00 0.00 N ATOM 1269 CA GLY A 79 -3.928 11.610 -1.351 1.00 0.00 C ATOM 1270 C GLY A 79 -2.921 12.411 -2.178 1.00 0.00 C ATOM 1271 O GLY A 79 -3.096 12.579 -3.383 1.00 0.00 O ATOM 0 H GLY A 79 -4.485 9.698 -2.002 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -4.942 11.875 -1.649 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -3.827 11.870 -0.297 1.00 0.00 H new ATOM 1275 N GLN A 80 -1.888 12.886 -1.497 1.00 0.00 N ATOM 1276 CA GLN A 80 -0.854 13.667 -2.155 1.00 0.00 C ATOM 1277 C GLN A 80 0.494 12.949 -2.062 1.00 0.00 C ATOM 1278 O GLN A 80 1.458 13.344 -2.715 1.00 0.00 O ATOM 1279 CB GLN A 80 -0.766 15.074 -1.559 1.00 0.00 C ATOM 1280 CG GLN A 80 -1.357 16.113 -2.516 1.00 0.00 C ATOM 1281 CD GLN A 80 -2.292 17.071 -1.774 1.00 0.00 C ATOM 1282 OE1 GLN A 80 -3.426 16.752 -1.458 1.00 0.00 O ATOM 1283 NE2 GLN A 80 -1.755 18.260 -1.518 1.00 0.00 N ATOM 0 H GLN A 80 -1.745 12.745 -0.497 1.00 0.00 H new ATOM 0 HA GLN A 80 -1.119 13.769 -3.207 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -1.299 15.104 -0.609 1.00 0.00 H new ATOM 0 HB3 GLN A 80 0.275 15.319 -1.348 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -0.553 16.677 -2.988 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -1.904 15.609 -3.313 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -0.799 18.461 -1.811 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -2.299 18.971 -1.029 1.00 0.00 H new ATOM 1292 N VAL A 81 0.516 11.905 -1.247 1.00 0.00 N ATOM 1293 CA VAL A 81 1.728 11.126 -1.060 1.00 0.00 C ATOM 1294 C VAL A 81 1.536 9.736 -1.667 1.00 0.00 C ATOM 1295 O VAL A 81 0.427 9.202 -1.666 1.00 0.00 O ATOM 1296 CB VAL A 81 2.102 11.085 0.423 1.00 0.00 C ATOM 1297 CG1 VAL A 81 2.380 12.490 0.959 1.00 0.00 C ATOM 1298 CG2 VAL A 81 1.011 10.393 1.242 1.00 0.00 C ATOM 0 H VAL A 81 -0.287 11.580 -0.708 1.00 0.00 H new ATOM 0 HA VAL A 81 2.565 11.594 -1.579 1.00 0.00 H new ATOM 0 HB VAL A 81 3.018 10.503 0.521 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.643 12.431 2.015 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.206 12.935 0.403 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.489 13.107 0.841 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.300 10.376 2.293 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.073 10.938 1.132 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.881 9.371 0.885 1.00 0.00 H new ATOM 1308 N ALA A 82 2.631 9.187 -2.172 1.00 0.00 N ATOM 1309 CA ALA A 82 2.596 7.868 -2.781 1.00 0.00 C ATOM 1310 C ALA A 82 2.743 6.804 -1.692 1.00 0.00 C ATOM 1311 O ALA A 82 3.072 7.122 -0.550 1.00 0.00 O ATOM 1312 CB ALA A 82 3.690 7.769 -3.846 1.00 0.00 C ATOM 0 H ALA A 82 3.549 9.632 -2.172 1.00 0.00 H new ATOM 0 HA ALA A 82 1.641 7.700 -3.278 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.664 6.780 -4.303 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.522 8.527 -4.611 1.00 0.00 H new ATOM 0 HB3 ALA A 82 4.664 7.930 -3.383 1.00 0.00 H new ATOM 1318 N ILE A 83 2.493 5.563 -2.084 1.00 0.00 N ATOM 1319 CA ILE A 83 2.595 4.450 -1.155 1.00 0.00 C ATOM 1320 C ILE A 83 2.715 3.144 -1.943 1.00 0.00 C ATOM 1321 O ILE A 83 1.911 2.876 -2.834 1.00 0.00 O ATOM 1322 CB ILE A 83 1.426 4.469 -0.168 1.00 0.00 C ATOM 1323 CG1 ILE A 83 1.902 4.151 1.251 1.00 0.00 C ATOM 1324 CG2 ILE A 83 0.310 3.527 -0.624 1.00 0.00 C ATOM 1325 CD1 ILE A 83 0.734 4.179 2.239 1.00 0.00 C ATOM 0 H ILE A 83 2.220 5.304 -3.032 1.00 0.00 H new ATOM 0 HA ILE A 83 3.496 4.540 -0.548 1.00 0.00 H new ATOM 0 HB ILE A 83 1.010 5.476 -0.149 1.00 0.00 H new ATOM 0 HG12 ILE A 83 2.375 3.169 1.269 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.658 4.874 1.556 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.509 3.559 0.094 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.053 3.840 -1.603 1.00 0.00 H new ATOM 0 HG23 ILE A 83 0.696 2.510 -0.689 1.00 0.00 H new ATOM 0 HD11 ILE A 83 1.099 3.950 3.240 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.279 5.169 2.236 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.009 3.438 1.945 1.00 0.00 H new ATOM 1337 N LEU A 84 3.726 2.365 -1.584 1.00 0.00 N ATOM 1338 CA LEU A 84 3.963 1.095 -2.246 1.00 0.00 C ATOM 1339 C LEU A 84 4.260 0.024 -1.194 1.00 0.00 C ATOM 1340 O LEU A 84 5.241 0.128 -0.459 1.00 0.00 O ATOM 1341 CB LEU A 84 5.057 1.237 -3.306 1.00 0.00 C ATOM 1342 CG LEU A 84 6.417 0.635 -2.949 1.00 0.00 C ATOM 1343 CD1 LEU A 84 6.366 -0.893 -2.980 1.00 0.00 C ATOM 1344 CD2 LEU A 84 7.516 1.190 -3.858 1.00 0.00 C ATOM 0 H LEU A 84 4.390 2.590 -0.843 1.00 0.00 H new ATOM 0 HA LEU A 84 3.071 0.775 -2.785 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.706 0.771 -4.227 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.195 2.297 -3.518 1.00 0.00 H new ATOM 0 HG LEU A 84 6.663 0.928 -1.928 1.00 0.00 H new ATOM 0 HD11 LEU A 84 7.346 -1.295 -2.722 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.628 -1.247 -2.260 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.088 -1.228 -3.979 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.473 0.747 -3.584 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.287 0.947 -4.896 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.571 2.272 -3.743 1.00 0.00 H new ATOM 1356 N LEU A 85 3.396 -0.979 -1.156 1.00 0.00 N ATOM 1357 CA LEU A 85 3.554 -2.066 -0.206 1.00 0.00 C ATOM 1358 C LEU A 85 3.950 -3.341 -0.956 1.00 0.00 C ATOM 1359 O LEU A 85 3.556 -3.535 -2.105 1.00 0.00 O ATOM 1360 CB LEU A 85 2.292 -2.223 0.646 1.00 0.00 C ATOM 1361 CG LEU A 85 2.337 -3.315 1.717 1.00 0.00 C ATOM 1362 CD1 LEU A 85 2.947 -2.785 3.015 1.00 0.00 C ATOM 1363 CD2 LEU A 85 0.948 -3.920 1.940 1.00 0.00 C ATOM 0 H LEU A 85 2.584 -1.062 -1.768 1.00 0.00 H new ATOM 0 HA LEU A 85 4.359 -1.843 0.495 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.087 -1.271 1.135 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.452 -2.428 -0.018 1.00 0.00 H new ATOM 0 HG LEU A 85 2.985 -4.117 1.362 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.967 -3.581 3.759 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.963 -2.440 2.825 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.346 -1.955 3.387 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.007 -4.694 2.706 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.259 -3.140 2.264 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.588 -4.358 1.009 1.00 0.00 H new ATOM 1375 N PHE A 86 4.725 -4.173 -0.277 1.00 0.00 N ATOM 1376 CA PHE A 86 5.179 -5.423 -0.864 1.00 0.00 C ATOM 1377 C PHE A 86 5.596 -6.417 0.219 1.00 0.00 C ATOM 1378 O PHE A 86 5.927 -6.022 1.337 1.00 0.00 O ATOM 1379 CB PHE A 86 6.393 -5.091 -1.733 1.00 0.00 C ATOM 1380 CG PHE A 86 7.638 -4.694 -0.938 1.00 0.00 C ATOM 1381 CD1 PHE A 86 8.314 -5.631 -0.220 1.00 0.00 C ATOM 1382 CD2 PHE A 86 8.069 -3.404 -0.949 1.00 0.00 C ATOM 1383 CE1 PHE A 86 9.469 -5.263 0.519 1.00 0.00 C ATOM 1384 CE2 PHE A 86 9.226 -3.036 -0.212 1.00 0.00 C ATOM 1385 CZ PHE A 86 9.900 -3.973 0.508 1.00 0.00 C ATOM 0 H PHE A 86 5.051 -4.006 0.675 1.00 0.00 H new ATOM 0 HA PHE A 86 4.376 -5.877 -1.444 1.00 0.00 H new ATOM 0 HB2 PHE A 86 6.631 -5.956 -2.353 1.00 0.00 H new ATOM 0 HB3 PHE A 86 6.131 -4.277 -2.409 1.00 0.00 H new ATOM 0 HD1 PHE A 86 7.972 -6.655 -0.212 1.00 0.00 H new ATOM 0 HD2 PHE A 86 7.532 -2.660 -1.518 1.00 0.00 H new ATOM 0 HE1 PHE A 86 10.005 -6.007 1.090 1.00 0.00 H new ATOM 0 HE2 PHE A 86 9.571 -2.013 -0.223 1.00 0.00 H new ATOM 0 HZ PHE A 86 10.778 -3.692 1.071 1.00 0.00 H new ATOM 1395 N LYS A 87 5.572 -7.690 -0.150 1.00 0.00 N ATOM 1396 CA LYS A 87 5.943 -8.746 0.776 1.00 0.00 C ATOM 1397 C LYS A 87 7.175 -9.479 0.238 1.00 0.00 C ATOM 1398 O LYS A 87 7.062 -10.306 -0.665 1.00 0.00 O ATOM 1399 CB LYS A 87 4.752 -9.664 1.050 1.00 0.00 C ATOM 1400 CG LYS A 87 5.218 -11.038 1.534 1.00 0.00 C ATOM 1401 CD LYS A 87 5.850 -10.944 2.924 1.00 0.00 C ATOM 1402 CE LYS A 87 6.163 -12.334 3.481 1.00 0.00 C ATOM 1403 NZ LYS A 87 7.597 -12.445 3.826 1.00 0.00 N ATOM 0 H LYS A 87 5.301 -8.013 -1.079 1.00 0.00 H new ATOM 0 HA LYS A 87 6.218 -8.325 1.743 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.104 -9.211 1.800 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.159 -9.776 0.143 1.00 0.00 H new ATOM 0 HG2 LYS A 87 4.372 -11.724 1.561 1.00 0.00 H new ATOM 0 HG3 LYS A 87 5.940 -11.450 0.829 1.00 0.00 H new ATOM 0 HD2 LYS A 87 6.766 -10.355 2.872 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.173 -10.422 3.600 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.555 -12.523 4.366 1.00 0.00 H new ATOM 0 HE3 LYS A 87 5.900 -13.094 2.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 7.819 -13.430 4.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 8.174 -12.154 3.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 7.808 -11.829 4.637 1.00 0.00 H new ATOM 1415 N SER A 88 8.319 -9.149 0.818 1.00 0.00 N ATOM 1416 CA SER A 88 9.570 -9.766 0.408 1.00 0.00 C ATOM 1417 C SER A 88 10.134 -10.615 1.549 1.00 0.00 C ATOM 1418 O SER A 88 10.099 -11.842 1.489 1.00 0.00 O ATOM 1419 CB SER A 88 10.590 -8.710 -0.023 1.00 0.00 C ATOM 1420 OG SER A 88 11.908 -9.246 -0.109 1.00 0.00 O ATOM 0 H SER A 88 8.407 -8.463 1.568 1.00 0.00 H new ATOM 0 HA SER A 88 9.369 -10.409 -0.449 1.00 0.00 H new ATOM 0 HB2 SER A 88 10.301 -8.300 -0.991 1.00 0.00 H new ATOM 0 HB3 SER A 88 10.580 -7.884 0.688 1.00 0.00 H new ATOM 0 HG SER A 88 12.530 -8.542 -0.389 1.00 0.00 H new ATOM 1426 N GLY A 89 10.641 -9.926 2.561 1.00 0.00 N ATOM 1427 CA GLY A 89 11.211 -10.601 3.715 1.00 0.00 C ATOM 1428 C GLY A 89 10.312 -11.750 4.177 1.00 0.00 C ATOM 1429 O GLY A 89 10.407 -12.194 5.320 1.00 0.00 O ATOM 0 H GLY A 89 10.669 -8.907 2.606 1.00 0.00 H new ATOM 0 HA2 GLY A 89 12.199 -10.986 3.464 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.344 -9.888 4.529 1.00 0.00 H new TER 1433 GLY A 89