USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 729 hydrogens (14 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: A 33 ALY H2 : A 33 ALY N : A 32 PHE C :(H bumps) USER MOD NoAdj-H: A 33 ALY H : A 33 ALY N : A 32 PHE C :(H bumps) USER MOD Set 1.1: A 72 THR OG1 : rot 102:sc= 1.08 USER MOD Set 1.2: A 75 GLN : amide:sc= 0.795 K(o=1.9,f=-0.78) USER MOD Set 2.1: A 54 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 57 GLN : amide:sc= -1.61 K(o=-1.6,f=-2.6!) USER MOD Set 3.1: A 48 CYS SG : rot 66:sc= -2.48! USER MOD Set 3.2: A 55 MET CE :methyl -152:sc= -1.76 (180deg=-2.43) USER MOD Set 4.1: A 28 SER OG : rot -123:sc= 1.2 USER MOD Set 4.2: A 51 GLN : amide:sc= 0.0976 K(o=1.3,f=-0.018) USER MOD Single : A 1 MET CE :methyl -165:sc= -0.0175 (180deg=-0.287) USER MOD Single : A 1 MET N :NH3+ -159:sc= 1.34 (180deg=0.183) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -167:sc= -0.0384 (180deg=-0.26) USER MOD Single : A 11 LYS NZ :NH3+ 142:sc= -0.0593 (180deg=-1.6) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.0809 X(o=-0.081,f=-0.073) USER MOD Single : A 15 ASN : amide:sc= 1.97 K(o=2,f=-6.2!) USER MOD Single : A 17 HIS : no HD1:sc= -0.662 K(o=-0.66,f=-0.0017) USER MOD Single : A 19 ASN : amide:sc= -3.83! C(o=-3.8!,f=-6.4!) USER MOD Single : A 21 LYS NZ :NH3+ -175:sc= 1.28 (180deg=1.19) USER MOD Single : A 25 GLN : amide:sc= -0.558 X(o=-0.56,f=-0.17) USER MOD Single : A 31 GLN : amide:sc= -1.16 K(o=-1.2,f=-0.14) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.0563 X(o=-0.056,f=-0.062) USER MOD Single : A 38 THR OG1 : rot -130:sc= -2.05! USER MOD Single : A 41 SER OG : rot -158:sc= -0.481 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl 168:sc= -1.34 (180deg=-1.82!) USER MOD Single : A 45 LYS NZ :NH3+ -166:sc= -0.0559 (180deg=-0.363) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.0392 USER MOD Single : A 65 GLN : amide:sc= -1.8! K(o=-1.8!,f=-0.65) USER MOD Single : A 68 ASN : amide:sc= 1.09 K(o=1.1,f=-0.59) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.321 USER MOD Single : A 78 MET CE :methyl -136:sc= -1.13 (180deg=-2.82!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -1.82 K(o=-1.8,f=-0.19) USER MOD Single : A 89 GLN : amide:sc= -2.07 K(o=-2.1,f=-6.2!) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 23.351 -1.478 4.095 1.00 0.00 N ATOM 2 CA MET A 1 23.084 -0.765 2.830 1.00 0.00 C ATOM 3 C MET A 1 23.485 0.705 2.930 1.00 0.00 C ATOM 4 O MET A 1 23.884 1.309 1.936 1.00 0.00 O ATOM 5 CB MET A 1 21.598 -0.879 2.426 1.00 0.00 C ATOM 6 CG MET A 1 20.631 -0.122 3.336 1.00 0.00 C ATOM 7 SD MET A 1 20.541 -0.804 5.004 1.00 0.00 S ATOM 8 CE MET A 1 19.697 -2.355 4.696 1.00 0.00 C ATOM 0 H1 MET A 1 23.415 -2.500 3.911 1.00 0.00 H new ATOM 0 H2 MET A 1 24.248 -1.143 4.500 1.00 0.00 H new ATOM 0 H3 MET A 1 22.578 -1.295 4.767 1.00 0.00 H new ATOM 0 HA MET A 1 23.690 -1.239 2.058 1.00 0.00 H new ATOM 0 HB2 MET A 1 21.483 -0.509 1.407 1.00 0.00 H new ATOM 0 HB3 MET A 1 21.318 -1.932 2.416 1.00 0.00 H new ATOM 0 HG2 MET A 1 20.939 0.922 3.394 1.00 0.00 H new ATOM 0 HG3 MET A 1 19.636 -0.137 2.890 1.00 0.00 H new ATOM 0 HE1 MET A 1 19.332 -2.764 5.638 1.00 0.00 H new ATOM 0 HE2 MET A 1 18.856 -2.184 4.024 1.00 0.00 H new ATOM 0 HE3 MET A 1 20.389 -3.061 4.238 1.00 0.00 H new ATOM 18 N ALA A 2 23.323 1.288 4.141 1.00 0.00 N ATOM 19 CA ALA A 2 23.685 2.675 4.444 1.00 0.00 C ATOM 20 C ALA A 2 22.547 3.616 4.095 1.00 0.00 C ATOM 21 O ALA A 2 22.099 3.691 2.947 1.00 0.00 O ATOM 22 CB ALA A 2 24.995 3.098 3.787 1.00 0.00 C ATOM 0 H ALA A 2 22.930 0.792 4.941 1.00 0.00 H new ATOM 0 HA ALA A 2 23.856 2.736 5.519 1.00 0.00 H new ATOM 0 HB1 ALA A 2 25.214 4.134 4.046 1.00 0.00 H new ATOM 0 HB2 ALA A 2 25.803 2.457 4.141 1.00 0.00 H new ATOM 0 HB3 ALA A 2 24.906 3.005 2.705 1.00 0.00 H new ATOM 28 N ASP A 3 22.060 4.315 5.098 1.00 0.00 N ATOM 29 CA ASP A 3 20.942 5.233 4.941 1.00 0.00 C ATOM 30 C ASP A 3 21.400 6.668 5.067 1.00 0.00 C ATOM 31 O ASP A 3 20.645 7.520 5.530 1.00 0.00 O ATOM 32 CB ASP A 3 19.852 4.947 5.985 1.00 0.00 C ATOM 33 CG ASP A 3 19.158 3.616 5.781 1.00 0.00 C ATOM 34 OD1 ASP A 3 18.272 3.524 4.893 1.00 0.00 O ATOM 35 OD2 ASP A 3 19.482 2.653 6.516 1.00 0.00 O ATOM 0 H ASP A 3 22.426 4.266 6.049 1.00 0.00 H new ATOM 0 HA ASP A 3 20.528 5.082 3.944 1.00 0.00 H new ATOM 0 HB2 ASP A 3 20.298 4.967 6.980 1.00 0.00 H new ATOM 0 HB3 ASP A 3 19.110 5.744 5.952 1.00 0.00 H new ATOM 40 N GLU A 4 22.660 6.927 4.671 1.00 0.00 N ATOM 41 CA GLU A 4 23.278 8.264 4.684 1.00 0.00 C ATOM 42 C GLU A 4 22.284 9.399 4.505 1.00 0.00 C ATOM 43 O GLU A 4 21.680 9.574 3.438 1.00 0.00 O ATOM 44 CB GLU A 4 24.344 8.347 3.599 1.00 0.00 C ATOM 45 CG GLU A 4 25.431 7.299 3.728 1.00 0.00 C ATOM 46 CD GLU A 4 26.386 7.319 2.566 1.00 0.00 C ATOM 47 OE1 GLU A 4 26.114 6.638 1.557 1.00 0.00 O ATOM 48 OE2 GLU A 4 27.413 8.017 2.643 1.00 0.00 O ATOM 0 H GLU A 4 23.287 6.200 4.327 1.00 0.00 H new ATOM 0 HA GLU A 4 23.719 8.389 5.673 1.00 0.00 H new ATOM 0 HB2 GLU A 4 23.866 8.244 2.625 1.00 0.00 H new ATOM 0 HB3 GLU A 4 24.801 9.336 3.627 1.00 0.00 H new ATOM 0 HG2 GLU A 4 25.984 7.465 4.653 1.00 0.00 H new ATOM 0 HG3 GLU A 4 24.974 6.312 3.802 1.00 0.00 H new ATOM 55 N LYS A 5 22.117 10.160 5.557 1.00 0.00 N ATOM 56 CA LYS A 5 21.242 11.306 5.572 1.00 0.00 C ATOM 57 C LYS A 5 21.921 12.432 6.344 1.00 0.00 C ATOM 58 O LYS A 5 22.572 12.175 7.358 1.00 0.00 O ATOM 59 CB LYS A 5 19.909 10.932 6.238 1.00 0.00 C ATOM 60 CG LYS A 5 18.853 12.031 6.202 1.00 0.00 C ATOM 61 CD LYS A 5 17.588 11.612 6.936 1.00 0.00 C ATOM 62 CE LYS A 5 16.977 10.359 6.328 1.00 0.00 C ATOM 63 NZ LYS A 5 15.747 9.942 7.035 1.00 0.00 N ATOM 0 H LYS A 5 22.594 9.998 6.444 1.00 0.00 H new ATOM 0 HA LYS A 5 21.040 11.635 4.553 1.00 0.00 H new ATOM 0 HB2 LYS A 5 19.509 10.045 5.747 1.00 0.00 H new ATOM 0 HB3 LYS A 5 20.100 10.663 7.277 1.00 0.00 H new ATOM 0 HG2 LYS A 5 19.254 12.938 6.655 1.00 0.00 H new ATOM 0 HG3 LYS A 5 18.612 12.271 5.167 1.00 0.00 H new ATOM 0 HD2 LYS A 5 17.819 11.432 7.986 1.00 0.00 H new ATOM 0 HD3 LYS A 5 16.862 12.424 6.903 1.00 0.00 H new ATOM 0 HE2 LYS A 5 16.747 10.541 5.278 1.00 0.00 H new ATOM 0 HE3 LYS A 5 17.705 9.549 6.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 15.364 9.085 6.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 15.970 9.743 8.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 15.041 10.704 6.983 1.00 0.00 H new ATOM 77 N PRO A 6 21.817 13.681 5.862 1.00 0.00 N ATOM 78 CA PRO A 6 22.415 14.839 6.539 1.00 0.00 C ATOM 79 C PRO A 6 21.729 15.148 7.877 1.00 0.00 C ATOM 80 O PRO A 6 20.992 14.327 8.419 1.00 0.00 O ATOM 81 CB PRO A 6 22.189 15.985 5.545 1.00 0.00 C ATOM 82 CG PRO A 6 21.026 15.553 4.726 1.00 0.00 C ATOM 83 CD PRO A 6 21.134 14.063 4.612 1.00 0.00 C ATOM 0 HA PRO A 6 23.463 14.672 6.787 1.00 0.00 H new ATOM 0 HB2 PRO A 6 21.983 16.922 6.062 1.00 0.00 H new ATOM 0 HB3 PRO A 6 23.070 16.150 4.925 1.00 0.00 H new ATOM 0 HG2 PRO A 6 20.087 15.841 5.199 1.00 0.00 H new ATOM 0 HG3 PRO A 6 21.045 16.022 3.742 1.00 0.00 H new ATOM 0 HD2 PRO A 6 20.154 13.593 4.528 1.00 0.00 H new ATOM 0 HD3 PRO A 6 21.706 13.766 3.733 1.00 0.00 H new ATOM 91 N LYS A 7 21.947 16.344 8.400 1.00 0.00 N ATOM 92 CA LYS A 7 21.357 16.726 9.678 1.00 0.00 C ATOM 93 C LYS A 7 20.096 17.550 9.465 1.00 0.00 C ATOM 94 O LYS A 7 19.444 17.995 10.419 1.00 0.00 O ATOM 95 CB LYS A 7 22.384 17.466 10.569 1.00 0.00 C ATOM 96 CG LYS A 7 23.198 18.553 9.868 1.00 0.00 C ATOM 97 CD LYS A 7 22.396 19.822 9.633 1.00 0.00 C ATOM 98 CE LYS A 7 23.231 20.878 8.924 1.00 0.00 C ATOM 99 NZ LYS A 7 24.418 21.283 9.720 1.00 0.00 N ATOM 0 H LYS A 7 22.524 17.064 7.965 1.00 0.00 H new ATOM 0 HA LYS A 7 21.070 15.817 10.207 1.00 0.00 H new ATOM 0 HB2 LYS A 7 21.853 17.917 11.407 1.00 0.00 H new ATOM 0 HB3 LYS A 7 23.073 16.732 10.986 1.00 0.00 H new ATOM 0 HG2 LYS A 7 24.076 18.789 10.469 1.00 0.00 H new ATOM 0 HG3 LYS A 7 23.558 18.173 8.912 1.00 0.00 H new ATOM 0 HD2 LYS A 7 21.513 19.592 9.036 1.00 0.00 H new ATOM 0 HD3 LYS A 7 22.043 20.214 10.587 1.00 0.00 H new ATOM 0 HE2 LYS A 7 23.558 20.492 7.958 1.00 0.00 H new ATOM 0 HE3 LYS A 7 22.613 21.754 8.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 24.831 22.146 9.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 24.131 21.467 10.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 25.124 20.520 9.703 1.00 0.00 H new ATOM 113 N GLU A 8 19.751 17.751 8.204 1.00 0.00 N ATOM 114 CA GLU A 8 18.560 18.479 7.834 1.00 0.00 C ATOM 115 C GLU A 8 18.009 17.939 6.524 1.00 0.00 C ATOM 116 O GLU A 8 18.741 17.771 5.547 1.00 0.00 O ATOM 117 CB GLU A 8 18.848 19.983 7.719 1.00 0.00 C ATOM 118 CG GLU A 8 19.930 20.339 6.713 1.00 0.00 C ATOM 119 CD GLU A 8 20.147 21.827 6.606 1.00 0.00 C ATOM 120 OE1 GLU A 8 19.449 22.476 5.806 1.00 0.00 O ATOM 121 OE2 GLU A 8 21.016 22.356 7.315 1.00 0.00 O ATOM 0 H GLU A 8 20.294 17.411 7.410 1.00 0.00 H new ATOM 0 HA GLU A 8 17.813 18.341 8.616 1.00 0.00 H new ATOM 0 HB2 GLU A 8 17.928 20.497 7.442 1.00 0.00 H new ATOM 0 HB3 GLU A 8 19.141 20.361 8.699 1.00 0.00 H new ATOM 0 HG2 GLU A 8 20.864 19.858 7.003 1.00 0.00 H new ATOM 0 HG3 GLU A 8 19.658 19.943 5.735 1.00 0.00 H new ATOM 128 N GLY A 9 16.734 17.642 6.510 1.00 0.00 N ATOM 129 CA GLY A 9 16.104 17.123 5.320 1.00 0.00 C ATOM 130 C GLY A 9 14.675 17.576 5.211 1.00 0.00 C ATOM 131 O GLY A 9 13.792 16.811 4.822 1.00 0.00 O ATOM 0 H GLY A 9 16.110 17.751 7.310 1.00 0.00 H new ATOM 0 HA2 GLY A 9 16.659 17.451 4.441 1.00 0.00 H new ATOM 0 HA3 GLY A 9 16.142 16.034 5.333 1.00 0.00 H new ATOM 135 N VAL A 10 14.432 18.819 5.573 1.00 0.00 N ATOM 136 CA VAL A 10 13.099 19.371 5.518 1.00 0.00 C ATOM 137 C VAL A 10 12.915 20.229 4.268 1.00 0.00 C ATOM 138 O VAL A 10 13.704 21.130 3.980 1.00 0.00 O ATOM 139 CB VAL A 10 12.759 20.192 6.795 1.00 0.00 C ATOM 140 CG1 VAL A 10 13.770 21.309 7.032 1.00 0.00 C ATOM 141 CG2 VAL A 10 11.344 20.749 6.712 1.00 0.00 C ATOM 0 H VAL A 10 15.145 19.466 5.909 1.00 0.00 H new ATOM 0 HA VAL A 10 12.405 18.531 5.470 1.00 0.00 H new ATOM 0 HB VAL A 10 12.816 19.516 7.648 1.00 0.00 H new ATOM 0 HG11 VAL A 10 13.499 21.860 7.933 1.00 0.00 H new ATOM 0 HG12 VAL A 10 14.764 20.880 7.155 1.00 0.00 H new ATOM 0 HG13 VAL A 10 13.770 21.987 6.178 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.124 21.320 7.614 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.259 21.399 5.841 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.634 19.927 6.621 1.00 0.00 H new ATOM 151 N LYS A 11 11.893 19.923 3.503 1.00 0.00 N ATOM 152 CA LYS A 11 11.593 20.657 2.304 1.00 0.00 C ATOM 153 C LYS A 11 10.088 20.827 2.177 1.00 0.00 C ATOM 154 O LYS A 11 9.343 19.847 2.199 1.00 0.00 O ATOM 155 CB LYS A 11 12.143 19.911 1.085 1.00 0.00 C ATOM 156 CG LYS A 11 12.020 20.679 -0.218 1.00 0.00 C ATOM 157 CD LYS A 11 13.356 21.286 -0.678 1.00 0.00 C ATOM 158 CE LYS A 11 13.876 22.378 0.261 1.00 0.00 C ATOM 159 NZ LYS A 11 14.586 21.827 1.449 1.00 0.00 N ATOM 0 H LYS A 11 11.248 19.157 3.698 1.00 0.00 H new ATOM 0 HA LYS A 11 12.062 21.640 2.354 1.00 0.00 H new ATOM 0 HB2 LYS A 11 13.193 19.677 1.259 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.617 18.961 0.986 1.00 0.00 H new ATOM 0 HG2 LYS A 11 11.642 20.013 -0.993 1.00 0.00 H new ATOM 0 HG3 LYS A 11 11.286 21.476 -0.097 1.00 0.00 H new ATOM 0 HD2 LYS A 11 14.101 20.494 -0.752 1.00 0.00 H new ATOM 0 HD3 LYS A 11 13.233 21.703 -1.678 1.00 0.00 H new ATOM 0 HE2 LYS A 11 14.552 23.033 -0.289 1.00 0.00 H new ATOM 0 HE3 LYS A 11 13.040 22.992 0.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.402 22.430 1.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 13.937 21.803 2.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 14.915 20.863 1.240 1.00 0.00 H new ATOM 173 N THR A 12 9.632 22.058 2.076 1.00 0.00 N ATOM 174 CA THR A 12 8.215 22.313 1.928 1.00 0.00 C ATOM 175 C THR A 12 7.830 22.350 0.446 1.00 0.00 C ATOM 176 O THR A 12 8.542 22.927 -0.388 1.00 0.00 O ATOM 177 CB THR A 12 7.774 23.626 2.644 1.00 0.00 C ATOM 178 OG1 THR A 12 6.351 23.765 2.583 1.00 0.00 O ATOM 179 CG2 THR A 12 8.431 24.853 2.018 1.00 0.00 C ATOM 0 H THR A 12 10.218 22.893 2.094 1.00 0.00 H new ATOM 0 HA THR A 12 7.686 21.492 2.411 1.00 0.00 H new ATOM 0 HB THR A 12 8.094 23.559 3.684 1.00 0.00 H new ATOM 0 HG1 THR A 12 6.083 24.591 3.037 1.00 0.00 H new ATOM 0 HG21 THR A 12 8.101 25.750 2.542 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.515 24.765 2.096 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.147 24.922 0.968 1.00 0.00 H new ATOM 187 N GLU A 13 6.731 21.700 0.113 1.00 0.00 N ATOM 188 CA GLU A 13 6.260 21.643 -1.257 1.00 0.00 C ATOM 189 C GLU A 13 4.816 22.124 -1.353 1.00 0.00 C ATOM 190 O GLU A 13 4.165 22.381 -0.339 1.00 0.00 O ATOM 191 CB GLU A 13 6.368 20.216 -1.796 1.00 0.00 C ATOM 192 CG GLU A 13 5.518 19.213 -1.035 1.00 0.00 C ATOM 193 CD GLU A 13 5.557 17.834 -1.644 1.00 0.00 C ATOM 194 OE1 GLU A 13 5.357 17.720 -2.870 1.00 0.00 O ATOM 195 OE2 GLU A 13 5.760 16.858 -0.897 1.00 0.00 O ATOM 0 H GLU A 13 6.143 21.200 0.780 1.00 0.00 H new ATOM 0 HA GLU A 13 6.887 22.301 -1.859 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.072 20.209 -2.845 1.00 0.00 H new ATOM 0 HB3 GLU A 13 7.410 19.900 -1.757 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.864 19.159 -0.003 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.487 19.564 -1.008 1.00 0.00 H new ATOM 202 N ASN A 14 4.317 22.236 -2.574 1.00 0.00 N ATOM 203 CA ASN A 14 2.944 22.684 -2.811 1.00 0.00 C ATOM 204 C ASN A 14 1.957 21.525 -2.719 1.00 0.00 C ATOM 205 O ASN A 14 0.742 21.716 -2.816 1.00 0.00 O ATOM 206 CB ASN A 14 2.813 23.362 -4.184 1.00 0.00 C ATOM 207 CG ASN A 14 3.069 22.411 -5.345 1.00 0.00 C ATOM 208 OD1 ASN A 14 2.155 21.750 -5.837 1.00 0.00 O ATOM 209 ND2 ASN A 14 4.306 22.351 -5.798 1.00 0.00 N ATOM 0 H ASN A 14 4.841 22.023 -3.423 1.00 0.00 H new ATOM 0 HA ASN A 14 2.705 23.409 -2.033 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.812 23.783 -4.281 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.516 24.193 -4.241 1.00 0.00 H new ATOM 0 HD21 ASN A 14 4.532 21.741 -6.583 1.00 0.00 H new ATOM 0 HD22 ASN A 14 5.036 22.915 -5.363 1.00 0.00 H new ATOM 216 N ASN A 15 2.468 20.322 -2.537 1.00 0.00 N ATOM 217 CA ASN A 15 1.619 19.151 -2.453 1.00 0.00 C ATOM 218 C ASN A 15 1.440 18.734 -1.014 1.00 0.00 C ATOM 219 O ASN A 15 2.247 19.082 -0.145 1.00 0.00 O ATOM 220 CB ASN A 15 2.202 17.978 -3.254 1.00 0.00 C ATOM 221 CG ASN A 15 2.545 18.344 -4.681 1.00 0.00 C ATOM 222 OD1 ASN A 15 1.676 18.370 -5.553 1.00 0.00 O ATOM 223 ND2 ASN A 15 3.820 18.574 -4.941 1.00 0.00 N ATOM 0 H ASN A 15 3.466 20.131 -2.445 1.00 0.00 H new ATOM 0 HA ASN A 15 0.652 19.416 -2.880 1.00 0.00 H new ATOM 0 HB2 ASN A 15 3.099 17.615 -2.753 1.00 0.00 H new ATOM 0 HB3 ASN A 15 1.485 17.157 -3.258 1.00 0.00 H new ATOM 0 HD21 ASN A 15 4.116 18.783 -5.894 1.00 0.00 H new ATOM 0 HD22 ASN A 15 4.508 18.543 -4.188 1.00 0.00 H new ATOM 230 N ASP A 16 0.392 18.001 -0.748 1.00 0.00 N ATOM 231 CA ASP A 16 0.143 17.504 0.582 1.00 0.00 C ATOM 232 C ASP A 16 0.058 15.988 0.542 1.00 0.00 C ATOM 233 O ASP A 16 0.410 15.364 -0.469 1.00 0.00 O ATOM 234 CB ASP A 16 -1.132 18.105 1.164 1.00 0.00 C ATOM 235 CG ASP A 16 -1.066 18.200 2.673 1.00 0.00 C ATOM 236 OD1 ASP A 16 -0.599 19.240 3.179 1.00 0.00 O ATOM 237 OD2 ASP A 16 -1.446 17.231 3.356 1.00 0.00 O ATOM 0 H ASP A 16 -0.309 17.732 -1.439 1.00 0.00 H new ATOM 0 HA ASP A 16 0.967 17.801 1.232 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.292 19.098 0.743 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.987 17.495 0.875 1.00 0.00 H new ATOM 242 N HIS A 17 -0.417 15.381 1.608 1.00 0.00 N ATOM 243 CA HIS A 17 -0.460 13.936 1.681 1.00 0.00 C ATOM 244 C HIS A 17 -1.875 13.417 1.869 1.00 0.00 C ATOM 245 O HIS A 17 -2.738 14.097 2.420 1.00 0.00 O ATOM 246 CB HIS A 17 0.470 13.410 2.793 1.00 0.00 C ATOM 247 CG HIS A 17 -0.002 13.689 4.195 1.00 0.00 C ATOM 248 ND1 HIS A 17 0.168 14.903 4.823 1.00 0.00 N ATOM 249 CD2 HIS A 17 -0.634 12.892 5.088 1.00 0.00 C ATOM 250 CE1 HIS A 17 -0.338 14.840 6.039 1.00 0.00 C ATOM 251 NE2 HIS A 17 -0.832 13.632 6.224 1.00 0.00 N ATOM 0 H HIS A 17 -0.777 15.862 2.432 1.00 0.00 H new ATOM 0 HA HIS A 17 -0.100 13.556 0.725 1.00 0.00 H new ATOM 0 HB2 HIS A 17 0.586 12.333 2.671 1.00 0.00 H new ATOM 0 HB3 HIS A 17 1.457 13.854 2.662 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -0.928 11.864 4.934 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -0.346 15.643 6.761 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -1.288 13.302 7.075 1.00 0.00 H new ATOM 260 N ILE A 18 -2.104 12.209 1.399 1.00 0.00 N ATOM 261 CA ILE A 18 -3.385 11.553 1.524 1.00 0.00 C ATOM 262 C ILE A 18 -3.185 10.131 2.034 1.00 0.00 C ATOM 263 O ILE A 18 -2.052 9.634 2.114 1.00 0.00 O ATOM 264 CB ILE A 18 -4.166 11.511 0.180 1.00 0.00 C ATOM 265 CG1 ILE A 18 -3.339 10.820 -0.909 1.00 0.00 C ATOM 266 CG2 ILE A 18 -4.562 12.917 -0.259 1.00 0.00 C ATOM 267 CD1 ILE A 18 -4.128 10.492 -2.163 1.00 0.00 C ATOM 0 H ILE A 18 -1.400 11.652 0.916 1.00 0.00 H new ATOM 0 HA ILE A 18 -3.977 12.134 2.231 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.076 10.932 0.336 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.500 11.462 -1.177 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.919 9.899 -0.504 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -5.107 12.864 -1.201 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.197 13.371 0.502 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.666 13.523 -0.392 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.475 10.005 -2.887 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.952 9.824 -1.910 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.525 11.411 -2.594 1.00 0.00 H new ATOM 279 N ASN A 19 -4.268 9.475 2.380 1.00 0.00 N ATOM 280 CA ASN A 19 -4.214 8.112 2.886 1.00 0.00 C ATOM 281 C ASN A 19 -4.665 7.131 1.832 1.00 0.00 C ATOM 282 O ASN A 19 -5.708 7.302 1.217 1.00 0.00 O ATOM 283 CB ASN A 19 -5.095 7.969 4.135 1.00 0.00 C ATOM 284 CG ASN A 19 -5.264 6.521 4.577 1.00 0.00 C ATOM 285 OD1 ASN A 19 -6.166 5.823 4.121 1.00 0.00 O ATOM 286 ND2 ASN A 19 -4.404 6.066 5.469 1.00 0.00 N ATOM 0 H ASN A 19 -5.209 9.863 2.321 1.00 0.00 H new ATOM 0 HA ASN A 19 -3.180 7.892 3.151 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.657 8.544 4.951 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -6.076 8.399 3.933 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -4.476 5.105 5.802 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -3.668 6.676 5.825 1.00 0.00 H new ATOM 293 N LEU A 20 -3.875 6.110 1.606 1.00 0.00 N ATOM 294 CA LEU A 20 -4.235 5.064 0.674 1.00 0.00 C ATOM 295 C LEU A 20 -4.217 3.741 1.386 1.00 0.00 C ATOM 296 O LEU A 20 -3.308 3.454 2.161 1.00 0.00 O ATOM 297 CB LEU A 20 -3.292 5.023 -0.546 1.00 0.00 C ATOM 298 CG LEU A 20 -3.378 6.207 -1.518 1.00 0.00 C ATOM 299 CD1 LEU A 20 -4.822 6.536 -1.849 1.00 0.00 C ATOM 300 CD2 LEU A 20 -2.663 7.419 -0.960 1.00 0.00 C ATOM 0 H LEU A 20 -2.970 5.979 2.058 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.236 5.275 0.298 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.267 4.954 -0.182 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.495 4.109 -1.103 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.879 5.917 -2.443 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.854 7.379 -2.540 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.296 5.670 -2.311 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.355 6.796 -0.934 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.739 8.244 -1.668 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.122 7.709 -0.015 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.613 7.178 -0.795 1.00 0.00 H new ATOM 312 N LYS A 21 -5.223 2.944 1.160 1.00 0.00 N ATOM 313 CA LYS A 21 -5.315 1.658 1.792 1.00 0.00 C ATOM 314 C LYS A 21 -5.347 0.576 0.742 1.00 0.00 C ATOM 315 O LYS A 21 -5.961 0.733 -0.294 1.00 0.00 O ATOM 316 CB LYS A 21 -6.553 1.599 2.687 1.00 0.00 C ATOM 317 CG LYS A 21 -6.581 2.710 3.727 1.00 0.00 C ATOM 318 CD LYS A 21 -7.768 2.599 4.675 1.00 0.00 C ATOM 319 CE LYS A 21 -9.089 2.838 3.966 1.00 0.00 C ATOM 320 NZ LYS A 21 -10.215 2.946 4.928 1.00 0.00 N ATOM 0 H LYS A 21 -5.999 3.166 0.536 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.439 1.499 2.421 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.447 1.665 2.067 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.585 0.634 3.192 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.657 2.685 4.304 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.615 3.675 3.221 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.776 1.609 5.131 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.655 3.322 5.483 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.025 3.752 3.376 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.282 2.022 3.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.111 3.024 4.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.238 2.099 5.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.085 3.790 5.521 1.00 0.00 H new ATOM 334 N VAL A 22 -4.693 -0.526 1.007 1.00 0.00 N ATOM 335 CA VAL A 22 -4.618 -1.614 0.046 1.00 0.00 C ATOM 336 C VAL A 22 -5.187 -2.878 0.659 1.00 0.00 C ATOM 337 O VAL A 22 -4.827 -3.247 1.769 1.00 0.00 O ATOM 338 CB VAL A 22 -3.164 -1.885 -0.418 1.00 0.00 C ATOM 339 CG1 VAL A 22 -3.102 -3.014 -1.412 1.00 0.00 C ATOM 340 CG2 VAL A 22 -2.500 -0.649 -0.967 1.00 0.00 C ATOM 0 H VAL A 22 -4.200 -0.701 1.883 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.200 -1.318 -0.827 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.606 -2.185 0.469 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.068 -3.176 -1.715 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.492 -3.923 -0.955 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.701 -2.762 -2.287 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.484 -0.890 -1.279 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.065 -0.283 -1.824 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.470 0.121 -0.196 1.00 0.00 H new ATOM 350 N ALA A 23 -6.062 -3.547 -0.066 1.00 0.00 N ATOM 351 CA ALA A 23 -6.706 -4.749 0.422 1.00 0.00 C ATOM 352 C ALA A 23 -6.348 -5.930 -0.466 1.00 0.00 C ATOM 353 O ALA A 23 -6.523 -5.887 -1.686 1.00 0.00 O ATOM 354 CB ALA A 23 -8.215 -4.560 0.463 1.00 0.00 C ATOM 0 H ALA A 23 -6.345 -3.273 -1.007 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.353 -4.950 1.434 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.686 -5.471 0.832 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.460 -3.731 1.127 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.582 -4.342 -0.540 1.00 0.00 H new ATOM 360 N GLY A 24 -5.836 -6.979 0.131 1.00 0.00 N ATOM 361 CA GLY A 24 -5.468 -8.136 -0.629 1.00 0.00 C ATOM 362 C GLY A 24 -6.470 -9.247 -0.490 1.00 0.00 C ATOM 363 O GLY A 24 -7.201 -9.313 0.496 1.00 0.00 O ATOM 0 H GLY A 24 -5.668 -7.050 1.134 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.373 -7.863 -1.680 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.490 -8.488 -0.302 1.00 0.00 H new ATOM 367 N GLN A 25 -6.502 -10.135 -1.484 1.00 0.00 N ATOM 368 CA GLN A 25 -7.406 -11.307 -1.508 1.00 0.00 C ATOM 369 C GLN A 25 -7.320 -12.187 -0.238 1.00 0.00 C ATOM 370 O GLN A 25 -8.140 -13.081 -0.037 1.00 0.00 O ATOM 371 CB GLN A 25 -7.149 -12.154 -2.767 1.00 0.00 C ATOM 372 CG GLN A 25 -5.674 -12.262 -3.202 1.00 0.00 C ATOM 373 CD GLN A 25 -4.749 -12.834 -2.137 1.00 0.00 C ATOM 374 OE1 GLN A 25 -4.597 -14.041 -2.016 1.00 0.00 O ATOM 375 NE2 GLN A 25 -4.090 -11.961 -1.388 1.00 0.00 N ATOM 0 H GLN A 25 -5.901 -10.069 -2.305 1.00 0.00 H new ATOM 0 HA GLN A 25 -8.420 -10.909 -1.531 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -7.533 -13.159 -2.593 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -7.723 -11.732 -3.592 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -5.615 -12.887 -4.093 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.317 -11.272 -3.484 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.242 -10.961 -1.517 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.431 -12.290 -0.683 1.00 0.00 H new ATOM 384 N ASP A 26 -6.328 -11.943 0.601 1.00 0.00 N ATOM 385 CA ASP A 26 -6.162 -12.691 1.846 1.00 0.00 C ATOM 386 C ASP A 26 -7.140 -12.172 2.897 1.00 0.00 C ATOM 387 O ASP A 26 -7.491 -12.866 3.849 1.00 0.00 O ATOM 388 CB ASP A 26 -4.718 -12.530 2.354 1.00 0.00 C ATOM 389 CG ASP A 26 -4.425 -13.327 3.616 1.00 0.00 C ATOM 390 OD1 ASP A 26 -4.704 -12.828 4.731 1.00 0.00 O ATOM 391 OD2 ASP A 26 -3.901 -14.451 3.500 1.00 0.00 O ATOM 0 H ASP A 26 -5.618 -11.228 0.445 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.365 -13.746 1.662 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.029 -12.841 1.569 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -4.525 -11.475 2.548 1.00 0.00 H new ATOM 396 N GLY A 27 -7.596 -10.948 2.698 1.00 0.00 N ATOM 397 CA GLY A 27 -8.491 -10.318 3.639 1.00 0.00 C ATOM 398 C GLY A 27 -7.723 -9.394 4.549 1.00 0.00 C ATOM 399 O GLY A 27 -8.142 -9.093 5.668 1.00 0.00 O ATOM 0 H GLY A 27 -7.358 -10.373 1.890 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.258 -9.758 3.104 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.004 -11.078 4.229 1.00 0.00 H new ATOM 403 N SER A 28 -6.585 -8.943 4.057 1.00 0.00 N ATOM 404 CA SER A 28 -5.699 -8.086 4.808 1.00 0.00 C ATOM 405 C SER A 28 -5.560 -6.740 4.116 1.00 0.00 C ATOM 406 O SER A 28 -5.346 -6.671 2.901 1.00 0.00 O ATOM 407 CB SER A 28 -4.328 -8.756 4.950 1.00 0.00 C ATOM 408 OG SER A 28 -3.506 -8.066 5.876 1.00 0.00 O ATOM 0 H SER A 28 -6.251 -9.164 3.119 1.00 0.00 H new ATOM 0 HA SER A 28 -6.118 -7.923 5.801 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.458 -9.788 5.276 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.835 -8.788 3.978 1.00 0.00 H new ATOM 0 HG SER A 28 -2.674 -7.793 5.435 1.00 0.00 H new ATOM 414 N VAL A 29 -5.712 -5.673 4.879 1.00 0.00 N ATOM 415 CA VAL A 29 -5.590 -4.328 4.353 1.00 0.00 C ATOM 416 C VAL A 29 -4.549 -3.532 5.131 1.00 0.00 C ATOM 417 O VAL A 29 -4.421 -3.664 6.353 1.00 0.00 O ATOM 418 CB VAL A 29 -6.962 -3.593 4.367 1.00 0.00 C ATOM 419 CG1 VAL A 29 -7.606 -3.679 5.731 1.00 0.00 C ATOM 420 CG2 VAL A 29 -6.828 -2.137 3.927 1.00 0.00 C ATOM 0 H VAL A 29 -5.923 -5.715 5.876 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.258 -4.406 3.318 1.00 0.00 H new ATOM 0 HB VAL A 29 -7.607 -4.097 3.647 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.563 -3.158 5.715 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.767 -4.725 5.992 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.953 -3.216 6.471 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.807 -1.658 3.950 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -6.152 -1.613 4.603 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -6.429 -2.098 2.913 1.00 0.00 H new ATOM 430 N VAL A 30 -3.801 -2.704 4.423 1.00 0.00 N ATOM 431 CA VAL A 30 -2.776 -1.880 5.034 1.00 0.00 C ATOM 432 C VAL A 30 -3.020 -0.429 4.674 1.00 0.00 C ATOM 433 O VAL A 30 -3.435 -0.123 3.557 1.00 0.00 O ATOM 434 CB VAL A 30 -1.352 -2.275 4.579 1.00 0.00 C ATOM 435 CG1 VAL A 30 -0.306 -1.605 5.457 1.00 0.00 C ATOM 436 CG2 VAL A 30 -1.169 -3.782 4.572 1.00 0.00 C ATOM 0 H VAL A 30 -3.887 -2.585 3.414 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.836 -2.032 6.112 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.219 -1.925 3.555 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.690 -1.895 5.122 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.412 -0.522 5.387 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.446 -1.917 6.492 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.157 -4.024 4.247 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.331 -4.173 5.577 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.887 -4.233 3.887 1.00 0.00 H new ATOM 446 N GLN A 31 -2.804 0.464 5.620 1.00 0.00 N ATOM 447 CA GLN A 31 -3.014 1.877 5.381 1.00 0.00 C ATOM 448 C GLN A 31 -1.680 2.614 5.253 1.00 0.00 C ATOM 449 O GLN A 31 -0.729 2.327 5.978 1.00 0.00 O ATOM 450 CB GLN A 31 -3.861 2.503 6.504 1.00 0.00 C ATOM 451 CG GLN A 31 -5.216 1.827 6.753 1.00 0.00 C ATOM 452 CD GLN A 31 -5.149 0.646 7.706 1.00 0.00 C ATOM 453 OE1 GLN A 31 -5.242 0.809 8.919 1.00 0.00 O ATOM 454 NE2 GLN A 31 -5.031 -0.548 7.163 1.00 0.00 N ATOM 0 H GLN A 31 -2.483 0.235 6.561 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.556 1.978 4.441 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -3.285 2.478 7.429 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.035 3.552 6.265 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.911 2.565 7.153 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.623 1.490 5.800 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -4.956 -0.643 6.150 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -5.014 -1.378 7.755 1.00 0.00 H new ATOM 463 N PHE A 32 -1.609 3.559 4.323 1.00 0.00 N ATOM 464 CA PHE A 32 -0.385 4.322 4.086 1.00 0.00 C ATOM 465 C PHE A 32 -0.699 5.813 3.974 1.00 0.00 C ATOM 466 O PHE A 32 -1.800 6.199 3.576 1.00 0.00 O ATOM 467 CB PHE A 32 0.302 3.854 2.788 1.00 0.00 C ATOM 468 CG PHE A 32 0.393 2.361 2.634 1.00 0.00 C ATOM 469 CD1 PHE A 32 -0.677 1.643 2.125 1.00 0.00 C ATOM 470 CD2 PHE A 32 1.543 1.677 2.988 1.00 0.00 C ATOM 471 CE1 PHE A 32 -0.604 0.280 1.972 1.00 0.00 C ATOM 472 CE2 PHE A 32 1.622 0.307 2.839 1.00 0.00 C ATOM 473 CZ PHE A 32 0.545 -0.391 2.328 1.00 0.00 C ATOM 0 H PHE A 32 -2.388 3.818 3.717 1.00 0.00 H new ATOM 0 HA PHE A 32 0.284 4.154 4.930 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.242 4.262 1.936 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.308 4.272 2.753 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.581 2.162 1.845 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.387 2.221 3.385 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -1.447 -0.265 1.573 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.523 -0.218 3.121 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.604 -1.463 2.208 1.00 0.00 H new HETATM 483 OH ALY A 33 -3.515 11.892 4.771 1.00 0.00 O HETATM 484 CH ALY A 33 -4.248 11.433 5.642 1.00 0.00 C HETATM 485 CH3 ALY A 33 -5.626 11.982 5.882 1.00 0.00 C HETATM 486 NZ ALY A 33 -3.893 10.397 6.387 1.00 0.00 N HETATM 487 CE ALY A 33 -2.506 10.036 6.672 1.00 0.00 C HETATM 488 CD ALY A 33 -2.221 8.590 6.317 1.00 0.00 C HETATM 489 CG ALY A 33 -0.787 8.192 6.644 1.00 0.00 C HETATM 490 CB ALY A 33 0.209 8.738 5.625 1.00 0.00 C HETATM 491 CA ALY A 33 0.116 8.095 4.230 1.00 0.00 C HETATM 492 N ALY A 33 0.263 6.645 4.323 1.00 0.00 N HETATM 493 C ALY A 33 1.213 8.654 3.328 1.00 0.00 C HETATM 494 O ALY A 33 2.368 8.792 3.747 1.00 0.00 O HETATM 0 HH33 ALY A 33 -5.556 13.037 6.149 1.00 0.00 H new HETATM 0 HH32 ALY A 33 -6.223 11.876 4.976 1.00 0.00 H new HETATM 0 HH31 ALY A 33 -6.100 11.433 6.695 1.00 0.00 H new HETATM 0 HZ ALY A 33 -4.631 9.817 6.785 1.00 0.00 H new HETATM 0 HG3 ALY A 33 -0.712 7.105 6.677 1.00 0.00 H new HETATM 0 HG2 ALY A 33 -0.527 8.560 7.637 1.00 0.00 H new HETATM 0 HE3 ALY A 33 -2.297 10.200 7.729 1.00 0.00 H new HETATM 0 HE2 ALY A 33 -1.837 10.688 6.110 1.00 0.00 H new HETATM 0 HD3 ALY A 33 -2.407 8.435 5.254 1.00 0.00 H new HETATM 0 HD2 ALY A 33 -2.909 7.942 6.859 1.00 0.00 H new HETATM 0 HCA ALY A 33 -0.862 8.327 3.808 1.00 0.00 H new HETATM 0 HB3 ALY A 33 1.218 8.594 6.010 1.00 0.00 H new HETATM 0 HB2 ALY A 33 0.055 9.813 5.526 1.00 0.00 H new ATOM 509 N ILE A 34 0.872 8.960 2.083 1.00 0.00 N ATOM 510 CA ILE A 34 1.866 9.444 1.123 1.00 0.00 C ATOM 511 C ILE A 34 1.420 10.743 0.474 1.00 0.00 C ATOM 512 O ILE A 34 0.268 11.147 0.596 1.00 0.00 O ATOM 513 CB ILE A 34 2.149 8.407 0.004 1.00 0.00 C ATOM 514 CG1 ILE A 34 0.940 8.283 -0.929 1.00 0.00 C ATOM 515 CG2 ILE A 34 2.486 7.050 0.615 1.00 0.00 C ATOM 516 CD1 ILE A 34 1.229 7.523 -2.202 1.00 0.00 C ATOM 0 H ILE A 34 -0.075 8.884 1.713 1.00 0.00 H new ATOM 0 HA ILE A 34 2.780 9.610 1.693 1.00 0.00 H new ATOM 0 HB ILE A 34 3.003 8.751 -0.579 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.130 7.785 -0.395 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.586 9.282 -1.185 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.682 6.331 -0.181 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.370 7.144 1.245 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.646 6.704 1.218 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.326 7.477 -2.811 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.016 8.031 -2.758 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.553 6.512 -1.956 1.00 0.00 H new ATOM 528 N LYS A 35 2.332 11.396 -0.225 1.00 0.00 N ATOM 529 CA LYS A 35 2.026 12.637 -0.910 1.00 0.00 C ATOM 530 C LYS A 35 1.338 12.335 -2.232 1.00 0.00 C ATOM 531 O LYS A 35 1.547 11.276 -2.818 1.00 0.00 O ATOM 532 CB LYS A 35 3.299 13.471 -1.161 1.00 0.00 C ATOM 533 CG LYS A 35 4.023 13.943 0.084 1.00 0.00 C ATOM 534 CD LYS A 35 4.716 12.796 0.800 1.00 0.00 C ATOM 535 CE LYS A 35 5.720 13.313 1.786 1.00 0.00 C ATOM 536 NZ LYS A 35 6.247 12.246 2.668 1.00 0.00 N ATOM 0 H LYS A 35 3.297 11.083 -0.333 1.00 0.00 H new ATOM 0 HA LYS A 35 1.362 13.221 -0.273 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.990 12.877 -1.759 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.030 14.343 -1.757 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.759 14.700 -0.188 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.312 14.418 0.760 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.976 12.183 1.315 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.212 12.154 0.072 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.547 13.778 1.249 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.259 14.090 2.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.937 12.653 3.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.464 11.819 3.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.711 11.516 2.091 1.00 0.00 H new ATOM 550 N ARG A 36 0.535 13.268 -2.720 1.00 0.00 N ATOM 551 CA ARG A 36 -0.195 13.063 -3.965 1.00 0.00 C ATOM 552 C ARG A 36 0.746 13.100 -5.171 1.00 0.00 C ATOM 553 O ARG A 36 0.386 12.692 -6.272 1.00 0.00 O ATOM 554 CB ARG A 36 -1.286 14.115 -4.135 1.00 0.00 C ATOM 555 CG ARG A 36 -0.755 15.521 -4.362 1.00 0.00 C ATOM 556 CD ARG A 36 -1.512 16.185 -5.483 1.00 0.00 C ATOM 557 NE ARG A 36 -0.908 17.446 -5.913 1.00 0.00 N ATOM 558 CZ ARG A 36 -1.346 18.165 -6.952 1.00 0.00 C ATOM 559 NH1 ARG A 36 -2.421 17.774 -7.627 1.00 0.00 N ATOM 560 NH2 ARG A 36 -0.714 19.281 -7.304 1.00 0.00 N ATOM 0 H ARG A 36 0.372 14.172 -2.276 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.657 12.077 -3.912 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.919 13.836 -4.978 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.919 14.115 -3.247 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.854 16.107 -3.449 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.307 15.483 -4.603 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.562 15.504 -6.333 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.537 16.370 -5.162 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.106 17.797 -5.390 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.914 16.924 -7.353 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.754 18.324 -8.419 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.106 19.589 -6.781 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -1.049 19.828 -8.097 1.00 0.00 H new ATOM 574 N HIS A 37 1.957 13.579 -4.957 1.00 0.00 N ATOM 575 CA HIS A 37 2.945 13.680 -6.018 1.00 0.00 C ATOM 576 C HIS A 37 3.979 12.590 -5.817 1.00 0.00 C ATOM 577 O HIS A 37 4.873 12.378 -6.633 1.00 0.00 O ATOM 578 CB HIS A 37 3.610 15.058 -5.974 1.00 0.00 C ATOM 579 CG HIS A 37 4.591 15.313 -7.088 1.00 0.00 C ATOM 580 ND1 HIS A 37 5.943 15.455 -6.881 1.00 0.00 N ATOM 581 CD2 HIS A 37 4.402 15.453 -8.421 1.00 0.00 C ATOM 582 CE1 HIS A 37 6.542 15.672 -8.032 1.00 0.00 C ATOM 583 NE2 HIS A 37 5.632 15.675 -8.986 1.00 0.00 N ATOM 0 H HIS A 37 2.284 13.908 -4.048 1.00 0.00 H new ATOM 0 HA HIS A 37 2.468 13.558 -6.991 1.00 0.00 H new ATOM 0 HB2 HIS A 37 2.834 15.823 -6.007 1.00 0.00 H new ATOM 0 HB3 HIS A 37 4.126 15.168 -5.020 1.00 0.00 H new ATOM 0 HD2 HIS A 37 3.458 15.400 -8.943 1.00 0.00 H new ATOM 0 HE1 HIS A 37 7.602 15.823 -8.172 1.00 0.00 H new ATOM 0 HE2 HIS A 37 5.813 15.819 -9.980 1.00 0.00 H new ATOM 592 N THR A 38 3.833 11.899 -4.721 1.00 0.00 N ATOM 593 CA THR A 38 4.706 10.835 -4.345 1.00 0.00 C ATOM 594 C THR A 38 4.244 9.533 -4.996 1.00 0.00 C ATOM 595 O THR A 38 3.067 9.189 -4.935 1.00 0.00 O ATOM 596 CB THR A 38 4.716 10.706 -2.808 1.00 0.00 C ATOM 597 OG1 THR A 38 5.604 11.671 -2.237 1.00 0.00 O ATOM 598 CG2 THR A 38 5.090 9.315 -2.342 1.00 0.00 C ATOM 0 H THR A 38 3.083 12.069 -4.051 1.00 0.00 H new ATOM 0 HA THR A 38 5.719 11.047 -4.687 1.00 0.00 H new ATOM 0 HB THR A 38 3.699 10.896 -2.466 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.206 11.227 -1.604 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.081 9.282 -1.253 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.371 8.595 -2.733 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.087 9.066 -2.705 1.00 0.00 H new ATOM 606 N PRO A 39 5.163 8.807 -5.646 1.00 0.00 N ATOM 607 CA PRO A 39 4.836 7.558 -6.320 1.00 0.00 C ATOM 608 C PRO A 39 4.316 6.502 -5.354 1.00 0.00 C ATOM 609 O PRO A 39 4.988 6.133 -4.379 1.00 0.00 O ATOM 610 CB PRO A 39 6.167 7.113 -6.944 1.00 0.00 C ATOM 611 CG PRO A 39 7.213 7.850 -6.183 1.00 0.00 C ATOM 612 CD PRO A 39 6.589 9.148 -5.772 1.00 0.00 C ATOM 0 HA PRO A 39 4.041 7.691 -7.053 1.00 0.00 H new ATOM 0 HB2 PRO A 39 6.302 6.035 -6.858 1.00 0.00 H new ATOM 0 HB3 PRO A 39 6.206 7.356 -8.006 1.00 0.00 H new ATOM 0 HG2 PRO A 39 7.536 7.280 -5.312 1.00 0.00 H new ATOM 0 HG3 PRO A 39 8.096 8.020 -6.799 1.00 0.00 H new ATOM 0 HD2 PRO A 39 7.001 9.513 -4.831 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.753 9.928 -6.516 1.00 0.00 H new ATOM 620 N LEU A 40 3.115 6.006 -5.628 1.00 0.00 N ATOM 621 CA LEU A 40 2.482 4.974 -4.809 1.00 0.00 C ATOM 622 C LEU A 40 3.304 3.686 -4.788 1.00 0.00 C ATOM 623 O LEU A 40 3.106 2.818 -3.946 1.00 0.00 O ATOM 624 CB LEU A 40 1.031 4.716 -5.269 1.00 0.00 C ATOM 625 CG LEU A 40 0.790 4.633 -6.785 1.00 0.00 C ATOM 626 CD1 LEU A 40 1.441 3.401 -7.383 1.00 0.00 C ATOM 627 CD2 LEU A 40 -0.698 4.642 -7.083 1.00 0.00 C ATOM 0 H LEU A 40 2.551 6.306 -6.423 1.00 0.00 H new ATOM 0 HA LEU A 40 2.444 5.343 -3.784 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.693 3.782 -4.819 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.401 5.510 -4.868 1.00 0.00 H new ATOM 0 HG LEU A 40 1.249 5.508 -7.245 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.251 3.374 -8.456 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.516 3.435 -7.206 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.025 2.507 -6.918 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.854 4.583 -8.160 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.171 3.787 -6.600 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.140 5.563 -6.703 1.00 0.00 H new ATOM 639 N SER A 41 4.225 3.572 -5.738 1.00 0.00 N ATOM 640 CA SER A 41 5.108 2.422 -5.862 1.00 0.00 C ATOM 641 C SER A 41 5.787 2.087 -4.530 1.00 0.00 C ATOM 642 O SER A 41 5.985 0.915 -4.200 1.00 0.00 O ATOM 643 CB SER A 41 6.170 2.713 -6.930 1.00 0.00 C ATOM 644 OG SER A 41 7.064 1.629 -7.094 1.00 0.00 O ATOM 0 H SER A 41 4.380 4.285 -6.451 1.00 0.00 H new ATOM 0 HA SER A 41 4.509 1.560 -6.155 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.680 2.927 -7.880 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.729 3.606 -6.652 1.00 0.00 H new ATOM 0 HG SER A 41 7.899 1.951 -7.494 1.00 0.00 H new ATOM 650 N LYS A 42 6.110 3.111 -3.749 1.00 0.00 N ATOM 651 CA LYS A 42 6.777 2.900 -2.480 1.00 0.00 C ATOM 652 C LYS A 42 5.860 2.172 -1.496 1.00 0.00 C ATOM 653 O LYS A 42 6.284 1.243 -0.816 1.00 0.00 O ATOM 654 CB LYS A 42 7.292 4.224 -1.900 1.00 0.00 C ATOM 655 CG LYS A 42 8.311 4.917 -2.803 1.00 0.00 C ATOM 656 CD LYS A 42 9.051 6.047 -2.092 1.00 0.00 C ATOM 657 CE LYS A 42 8.121 7.177 -1.682 1.00 0.00 C ATOM 658 NZ LYS A 42 8.870 8.310 -1.074 1.00 0.00 N ATOM 0 H LYS A 42 5.920 4.088 -3.974 1.00 0.00 H new ATOM 0 HA LYS A 42 7.644 2.263 -2.654 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.448 4.894 -1.733 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.746 4.036 -0.927 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.033 4.183 -3.160 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.802 5.316 -3.680 1.00 0.00 H new ATOM 0 HD2 LYS A 42 9.550 5.651 -1.208 1.00 0.00 H new ATOM 0 HD3 LYS A 42 9.828 6.439 -2.748 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.570 7.530 -2.554 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.385 6.803 -0.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 8.204 9.063 -0.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.375 7.978 -0.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 9.555 8.683 -1.762 1.00 0.00 H new ATOM 672 N LEU A 43 4.589 2.570 -1.445 1.00 0.00 N ATOM 673 CA LEU A 43 3.631 1.912 -0.562 1.00 0.00 C ATOM 674 C LEU A 43 3.330 0.505 -1.074 1.00 0.00 C ATOM 675 O LEU A 43 3.103 -0.417 -0.294 1.00 0.00 O ATOM 676 CB LEU A 43 2.325 2.745 -0.407 1.00 0.00 C ATOM 677 CG LEU A 43 1.291 2.670 -1.548 1.00 0.00 C ATOM 678 CD1 LEU A 43 0.397 1.441 -1.412 1.00 0.00 C ATOM 679 CD2 LEU A 43 0.446 3.928 -1.584 1.00 0.00 C ATOM 0 H LEU A 43 4.204 3.336 -1.998 1.00 0.00 H new ATOM 0 HA LEU A 43 4.079 1.836 0.429 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.833 2.430 0.513 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.606 3.790 -0.277 1.00 0.00 H new ATOM 0 HG LEU A 43 1.841 2.585 -2.485 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.320 1.420 -2.233 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.010 0.540 -1.442 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.139 1.484 -0.464 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.278 3.857 -2.396 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.081 4.040 -0.636 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.089 4.793 -1.746 1.00 0.00 H new ATOM 691 N MET A 44 3.345 0.339 -2.400 1.00 0.00 N ATOM 692 CA MET A 44 3.070 -0.957 -3.006 1.00 0.00 C ATOM 693 C MET A 44 4.154 -1.958 -2.649 1.00 0.00 C ATOM 694 O MET A 44 3.872 -3.087 -2.233 1.00 0.00 O ATOM 695 CB MET A 44 2.924 -0.850 -4.529 1.00 0.00 C ATOM 696 CG MET A 44 1.766 0.022 -4.985 1.00 0.00 C ATOM 697 SD MET A 44 1.294 -0.285 -6.702 1.00 0.00 S ATOM 698 CE MET A 44 2.840 -0.009 -7.558 1.00 0.00 C ATOM 0 H MET A 44 3.544 1.085 -3.067 1.00 0.00 H new ATOM 0 HA MET A 44 2.120 -1.310 -2.604 1.00 0.00 H new ATOM 0 HB2 MET A 44 3.850 -0.451 -4.944 1.00 0.00 H new ATOM 0 HB3 MET A 44 2.795 -1.851 -4.941 1.00 0.00 H new ATOM 0 HG2 MET A 44 0.906 -0.156 -4.339 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.039 1.071 -4.870 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.756 -0.366 -8.585 1.00 0.00 H new ATOM 0 HE2 MET A 44 3.069 1.057 -7.562 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.639 -0.550 -7.050 1.00 0.00 H new ATOM 708 N LYS A 45 5.407 -1.551 -2.809 1.00 0.00 N ATOM 709 CA LYS A 45 6.532 -2.396 -2.458 1.00 0.00 C ATOM 710 C LYS A 45 6.542 -2.660 -0.960 1.00 0.00 C ATOM 711 O LYS A 45 6.830 -3.770 -0.514 1.00 0.00 O ATOM 712 CB LYS A 45 7.835 -1.743 -2.902 1.00 0.00 C ATOM 713 CG LYS A 45 7.968 -1.616 -4.415 1.00 0.00 C ATOM 714 CD LYS A 45 8.363 -2.930 -5.074 1.00 0.00 C ATOM 715 CE LYS A 45 9.764 -3.364 -4.670 1.00 0.00 C ATOM 716 NZ LYS A 45 10.785 -2.330 -4.987 1.00 0.00 N ATOM 0 H LYS A 45 5.666 -0.637 -3.181 1.00 0.00 H new ATOM 0 HA LYS A 45 6.434 -3.352 -2.973 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.906 -0.752 -2.455 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.673 -2.326 -2.519 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.022 -1.273 -4.833 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.714 -0.856 -4.649 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.648 -3.705 -4.797 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.314 -2.823 -6.158 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.783 -3.575 -3.601 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.017 -4.292 -5.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.735 -2.748 -4.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.631 -1.974 -5.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.704 -1.544 -4.311 1.00 0.00 H new ATOM 730 N ALA A 46 6.189 -1.639 -0.181 1.00 0.00 N ATOM 731 CA ALA A 46 6.121 -1.763 1.265 1.00 0.00 C ATOM 732 C ALA A 46 5.071 -2.786 1.654 1.00 0.00 C ATOM 733 O ALA A 46 5.274 -3.585 2.568 1.00 0.00 O ATOM 734 CB ALA A 46 5.811 -0.418 1.904 1.00 0.00 C ATOM 0 H ALA A 46 5.945 -0.714 -0.534 1.00 0.00 H new ATOM 0 HA ALA A 46 7.091 -2.100 1.629 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.764 -0.532 2.987 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.594 0.296 1.648 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.852 -0.053 1.536 1.00 0.00 H new ATOM 740 N TYR A 47 3.939 -2.763 0.949 1.00 0.00 N ATOM 741 CA TYR A 47 2.861 -3.702 1.180 1.00 0.00 C ATOM 742 C TYR A 47 3.350 -5.135 1.002 1.00 0.00 C ATOM 743 O TYR A 47 3.215 -5.960 1.894 1.00 0.00 O ATOM 744 CB TYR A 47 1.692 -3.424 0.228 1.00 0.00 C ATOM 745 CG TYR A 47 0.579 -4.448 0.308 1.00 0.00 C ATOM 746 CD1 TYR A 47 -0.456 -4.312 1.219 1.00 0.00 C ATOM 747 CD2 TYR A 47 0.572 -5.555 -0.530 1.00 0.00 C ATOM 748 CE1 TYR A 47 -1.467 -5.247 1.295 1.00 0.00 C ATOM 749 CE2 TYR A 47 -0.432 -6.496 -0.467 1.00 0.00 C ATOM 750 CZ TYR A 47 -1.452 -6.341 0.449 1.00 0.00 C ATOM 751 OH TYR A 47 -2.453 -7.287 0.526 1.00 0.00 O ATOM 0 H TYR A 47 3.752 -2.091 0.205 1.00 0.00 H new ATOM 0 HA TYR A 47 2.515 -3.576 2.206 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.282 -2.438 0.449 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.069 -3.390 -0.794 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.471 -3.459 1.881 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.370 -5.681 -1.246 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.266 -5.126 2.011 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.421 -7.349 -1.130 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.292 -7.989 -0.139 1.00 0.00 H new ATOM 761 N CYS A 48 3.935 -5.423 -0.146 1.00 0.00 N ATOM 762 CA CYS A 48 4.418 -6.760 -0.450 1.00 0.00 C ATOM 763 C CYS A 48 5.452 -7.213 0.575 1.00 0.00 C ATOM 764 O CYS A 48 5.396 -8.337 1.075 1.00 0.00 O ATOM 765 CB CYS A 48 5.020 -6.795 -1.856 1.00 0.00 C ATOM 766 SG CYS A 48 3.955 -6.086 -3.127 1.00 0.00 S ATOM 0 H CYS A 48 4.089 -4.743 -0.890 1.00 0.00 H new ATOM 0 HA CYS A 48 3.572 -7.446 -0.407 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.967 -6.256 -1.848 1.00 0.00 H new ATOM 0 HB3 CYS A 48 5.244 -7.829 -2.119 1.00 0.00 H new ATOM 0 HG CYS A 48 3.822 -4.810 -2.919 1.00 0.00 H new ATOM 772 N GLU A 49 6.374 -6.322 0.917 1.00 0.00 N ATOM 773 CA GLU A 49 7.427 -6.632 1.875 1.00 0.00 C ATOM 774 C GLU A 49 6.863 -6.970 3.259 1.00 0.00 C ATOM 775 O GLU A 49 7.305 -7.917 3.906 1.00 0.00 O ATOM 776 CB GLU A 49 8.429 -5.474 1.976 1.00 0.00 C ATOM 777 CG GLU A 49 9.320 -5.316 0.750 1.00 0.00 C ATOM 778 CD GLU A 49 10.427 -4.305 0.965 1.00 0.00 C ATOM 779 OE1 GLU A 49 11.382 -4.614 1.718 1.00 0.00 O ATOM 780 OE2 GLU A 49 10.353 -3.195 0.399 1.00 0.00 O ATOM 0 H GLU A 49 6.413 -5.374 0.543 1.00 0.00 H new ATOM 0 HA GLU A 49 7.946 -7.517 1.506 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.881 -4.546 2.136 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.059 -5.627 2.853 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.758 -6.281 0.496 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.711 -5.009 -0.100 1.00 0.00 H new ATOM 787 N ARG A 50 5.873 -6.214 3.710 1.00 0.00 N ATOM 788 CA ARG A 50 5.299 -6.431 5.039 1.00 0.00 C ATOM 789 C ARG A 50 4.326 -7.612 5.050 1.00 0.00 C ATOM 790 O ARG A 50 4.256 -8.367 6.012 1.00 0.00 O ATOM 791 CB ARG A 50 4.594 -5.159 5.535 1.00 0.00 C ATOM 792 CG ARG A 50 3.434 -4.717 4.655 1.00 0.00 C ATOM 793 CD ARG A 50 2.934 -3.338 5.025 1.00 0.00 C ATOM 794 NE ARG A 50 4.022 -2.360 5.100 1.00 0.00 N ATOM 795 CZ ARG A 50 3.971 -1.222 5.796 1.00 0.00 C ATOM 796 NH1 ARG A 50 2.920 -0.951 6.564 1.00 0.00 N ATOM 797 NH2 ARG A 50 4.989 -0.375 5.748 1.00 0.00 N ATOM 0 H ARG A 50 5.450 -5.450 3.184 1.00 0.00 H new ATOM 0 HA ARG A 50 6.120 -6.670 5.715 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.226 -5.330 6.547 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.322 -4.350 5.593 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.749 -4.720 3.612 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.618 -5.434 4.744 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.201 -3.009 4.288 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.422 -3.384 5.986 1.00 0.00 H new ATOM 0 HE ARG A 50 4.878 -2.563 4.584 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.147 -1.614 6.624 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.886 -0.080 7.094 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.808 -0.594 5.181 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.954 0.496 6.278 1.00 0.00 H new ATOM 811 N GLN A 51 3.576 -7.771 3.978 1.00 0.00 N ATOM 812 CA GLN A 51 2.576 -8.828 3.891 1.00 0.00 C ATOM 813 C GLN A 51 3.185 -10.171 3.568 1.00 0.00 C ATOM 814 O GLN A 51 2.581 -11.216 3.816 1.00 0.00 O ATOM 815 CB GLN A 51 1.535 -8.467 2.849 1.00 0.00 C ATOM 816 CG GLN A 51 0.762 -7.228 3.195 1.00 0.00 C ATOM 817 CD GLN A 51 -0.048 -7.380 4.472 1.00 0.00 C ATOM 818 OE1 GLN A 51 -1.215 -7.755 4.437 1.00 0.00 O ATOM 819 NE2 GLN A 51 0.576 -7.112 5.604 1.00 0.00 N ATOM 0 H GLN A 51 3.637 -7.181 3.148 1.00 0.00 H new ATOM 0 HA GLN A 51 2.107 -8.914 4.871 1.00 0.00 H new ATOM 0 HB2 GLN A 51 2.027 -8.325 1.887 1.00 0.00 H new ATOM 0 HB3 GLN A 51 0.842 -9.300 2.733 1.00 0.00 H new ATOM 0 HG2 GLN A 51 1.453 -6.392 3.305 1.00 0.00 H new ATOM 0 HG3 GLN A 51 0.092 -6.981 2.372 1.00 0.00 H new ATOM 0 HE21 GLN A 51 1.548 -6.802 5.590 1.00 0.00 H new ATOM 0 HE22 GLN A 51 0.086 -7.215 6.493 1.00 0.00 H new ATOM 828 N GLY A 52 4.370 -10.162 3.020 1.00 0.00 N ATOM 829 CA GLY A 52 4.991 -11.393 2.644 1.00 0.00 C ATOM 830 C GLY A 52 4.548 -11.819 1.269 1.00 0.00 C ATOM 831 O GLY A 52 4.275 -12.991 1.020 1.00 0.00 O ATOM 0 H GLY A 52 4.917 -9.323 2.827 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.075 -11.279 2.662 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.740 -12.168 3.368 1.00 0.00 H new ATOM 835 N LEU A 53 4.481 -10.862 0.366 1.00 0.00 N ATOM 836 CA LEU A 53 4.084 -11.115 -1.004 1.00 0.00 C ATOM 837 C LEU A 53 5.176 -10.619 -1.935 1.00 0.00 C ATOM 838 O LEU A 53 6.040 -9.845 -1.531 1.00 0.00 O ATOM 839 CB LEU A 53 2.766 -10.411 -1.343 1.00 0.00 C ATOM 840 CG LEU A 53 1.470 -11.077 -0.862 1.00 0.00 C ATOM 841 CD1 LEU A 53 1.361 -12.504 -1.361 1.00 0.00 C ATOM 842 CD2 LEU A 53 1.336 -11.027 0.639 1.00 0.00 C ATOM 0 H LEU A 53 4.701 -9.885 0.562 1.00 0.00 H new ATOM 0 HA LEU A 53 3.935 -12.188 -1.128 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.804 -9.405 -0.925 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.709 -10.305 -2.426 1.00 0.00 H new ATOM 0 HG LEU A 53 0.645 -10.505 -1.287 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.431 -12.945 -1.002 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.368 -12.510 -2.451 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.205 -13.085 -0.990 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.405 -11.509 0.937 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.177 -11.547 1.097 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.329 -9.988 0.969 1.00 0.00 H new ATOM 854 N SER A 54 5.147 -11.053 -3.175 1.00 0.00 N ATOM 855 CA SER A 54 6.124 -10.611 -4.137 1.00 0.00 C ATOM 856 C SER A 54 5.436 -9.839 -5.256 1.00 0.00 C ATOM 857 O SER A 54 4.272 -10.088 -5.558 1.00 0.00 O ATOM 858 CB SER A 54 6.873 -11.815 -4.699 1.00 0.00 C ATOM 859 OG SER A 54 7.506 -12.550 -3.670 1.00 0.00 O ATOM 0 H SER A 54 4.457 -11.711 -3.538 1.00 0.00 H new ATOM 0 HA SER A 54 6.840 -9.950 -3.649 1.00 0.00 H new ATOM 0 HB2 SER A 54 6.178 -12.461 -5.236 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.618 -11.479 -5.420 1.00 0.00 H new ATOM 0 HG SER A 54 7.977 -13.317 -4.058 1.00 0.00 H new ATOM 865 N MET A 55 6.150 -8.900 -5.873 1.00 0.00 N ATOM 866 CA MET A 55 5.594 -8.104 -6.976 1.00 0.00 C ATOM 867 C MET A 55 5.182 -8.986 -8.143 1.00 0.00 C ATOM 868 O MET A 55 4.297 -8.648 -8.912 1.00 0.00 O ATOM 869 CB MET A 55 6.595 -7.045 -7.441 1.00 0.00 C ATOM 870 CG MET A 55 6.519 -5.769 -6.643 1.00 0.00 C ATOM 871 SD MET A 55 4.933 -4.955 -6.849 1.00 0.00 S ATOM 872 CE MET A 55 4.991 -3.810 -5.498 1.00 0.00 C ATOM 0 H MET A 55 7.114 -8.668 -5.632 1.00 0.00 H new ATOM 0 HA MET A 55 4.703 -7.601 -6.600 1.00 0.00 H new ATOM 0 HB2 MET A 55 7.604 -7.451 -7.370 1.00 0.00 H new ATOM 0 HB3 MET A 55 6.415 -6.820 -8.492 1.00 0.00 H new ATOM 0 HG2 MET A 55 6.682 -5.989 -5.588 1.00 0.00 H new ATOM 0 HG3 MET A 55 7.317 -5.096 -6.955 1.00 0.00 H new ATOM 0 HE1 MET A 55 3.977 -3.590 -5.163 1.00 0.00 H new ATOM 0 HE2 MET A 55 5.558 -4.246 -4.676 1.00 0.00 H new ATOM 0 HE3 MET A 55 5.473 -2.888 -5.823 1.00 0.00 H new ATOM 882 N ARG A 56 5.847 -10.115 -8.278 1.00 0.00 N ATOM 883 CA ARG A 56 5.522 -11.069 -9.326 1.00 0.00 C ATOM 884 C ARG A 56 4.387 -11.989 -8.879 1.00 0.00 C ATOM 885 O ARG A 56 3.740 -12.650 -9.687 1.00 0.00 O ATOM 886 CB ARG A 56 6.756 -11.901 -9.730 1.00 0.00 C ATOM 887 CG ARG A 56 7.418 -12.660 -8.584 1.00 0.00 C ATOM 888 CD ARG A 56 8.563 -11.873 -7.954 1.00 0.00 C ATOM 889 NE ARG A 56 9.696 -11.717 -8.864 1.00 0.00 N ATOM 890 CZ ARG A 56 10.896 -11.244 -8.502 1.00 0.00 C ATOM 891 NH1 ARG A 56 11.110 -10.841 -7.252 1.00 0.00 N ATOM 892 NH2 ARG A 56 11.877 -11.162 -9.391 1.00 0.00 N ATOM 0 H ARG A 56 6.619 -10.398 -7.674 1.00 0.00 H new ATOM 0 HA ARG A 56 5.196 -10.505 -10.199 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.459 -12.616 -10.497 1.00 0.00 H new ATOM 0 HB3 ARG A 56 7.493 -11.237 -10.181 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.672 -12.885 -7.822 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.795 -13.614 -8.953 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.203 -10.889 -7.654 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.895 -12.381 -7.048 1.00 0.00 H new ATOM 0 HE ARG A 56 9.564 -11.986 -9.839 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.358 -10.891 -6.564 1.00 0.00 H new ATOM 0 HH12 ARG A 56 12.026 -10.482 -6.982 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.719 -11.460 -10.354 1.00 0.00 H new ATOM 0 HH22 ARG A 56 12.789 -10.801 -9.112 1.00 0.00 H new ATOM 906 N GLN A 57 4.150 -12.024 -7.575 1.00 0.00 N ATOM 907 CA GLN A 57 3.127 -12.879 -6.993 1.00 0.00 C ATOM 908 C GLN A 57 1.787 -12.184 -6.898 1.00 0.00 C ATOM 909 O GLN A 57 0.749 -12.832 -6.825 1.00 0.00 O ATOM 910 CB GLN A 57 3.557 -13.367 -5.606 1.00 0.00 C ATOM 911 CG GLN A 57 4.210 -14.739 -5.602 1.00 0.00 C ATOM 912 CD GLN A 57 5.467 -14.800 -6.438 1.00 0.00 C ATOM 913 OE1 GLN A 57 6.568 -14.595 -5.943 1.00 0.00 O ATOM 914 NE2 GLN A 57 5.308 -15.051 -7.712 1.00 0.00 N ATOM 0 H GLN A 57 4.660 -11.462 -6.893 1.00 0.00 H new ATOM 0 HA GLN A 57 3.012 -13.734 -7.659 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.253 -12.645 -5.179 1.00 0.00 H new ATOM 0 HB3 GLN A 57 2.683 -13.391 -4.955 1.00 0.00 H new ATOM 0 HG2 GLN A 57 4.450 -15.018 -4.576 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.497 -15.475 -5.974 1.00 0.00 H new ATOM 0 HE21 GLN A 57 4.374 -15.217 -8.086 1.00 0.00 H new ATOM 0 HE22 GLN A 57 6.118 -15.081 -8.331 1.00 0.00 H new ATOM 923 N ILE A 58 1.790 -10.869 -6.882 1.00 0.00 N ATOM 924 CA ILE A 58 0.546 -10.126 -6.765 1.00 0.00 C ATOM 925 C ILE A 58 0.498 -8.952 -7.715 1.00 0.00 C ATOM 926 O ILE A 58 1.448 -8.675 -8.441 1.00 0.00 O ATOM 927 CB ILE A 58 0.307 -9.602 -5.326 1.00 0.00 C ATOM 928 CG1 ILE A 58 1.290 -8.474 -4.995 1.00 0.00 C ATOM 929 CG2 ILE A 58 0.423 -10.734 -4.322 1.00 0.00 C ATOM 930 CD1 ILE A 58 1.149 -7.932 -3.591 1.00 0.00 C ATOM 0 H ILE A 58 2.629 -10.293 -6.948 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.241 -10.835 -7.022 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.704 -9.199 -5.267 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.308 -8.840 -5.132 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.146 -7.659 -5.705 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.252 -10.348 -3.317 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.320 -11.498 -4.548 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.420 -11.170 -4.379 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.878 -7.138 -3.433 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.143 -7.534 -3.454 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.323 -8.733 -2.873 1.00 0.00 H new ATOM 942 N ARG A 59 -0.615 -8.261 -7.696 1.00 0.00 N ATOM 943 CA ARG A 59 -0.820 -7.084 -8.509 1.00 0.00 C ATOM 944 C ARG A 59 -1.795 -6.148 -7.840 1.00 0.00 C ATOM 945 O ARG A 59 -2.787 -6.585 -7.240 1.00 0.00 O ATOM 946 CB ARG A 59 -1.316 -7.442 -9.917 1.00 0.00 C ATOM 947 CG ARG A 59 -0.208 -7.643 -10.945 1.00 0.00 C ATOM 948 CD ARG A 59 0.656 -6.394 -11.077 1.00 0.00 C ATOM 949 NE ARG A 59 1.559 -6.460 -12.230 1.00 0.00 N ATOM 950 CZ ARG A 59 2.894 -6.490 -12.154 1.00 0.00 C ATOM 951 NH1 ARG A 59 3.501 -6.569 -10.973 1.00 0.00 N ATOM 952 NH2 ARG A 59 3.621 -6.464 -13.265 1.00 0.00 N ATOM 0 H ARG A 59 -1.414 -8.501 -7.109 1.00 0.00 H new ATOM 0 HA ARG A 59 0.144 -6.587 -8.613 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.910 -8.354 -9.858 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.980 -6.651 -10.267 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.414 -8.489 -10.652 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -0.646 -7.889 -11.912 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.013 -5.519 -11.172 1.00 0.00 H new ATOM 0 HD3 ARG A 59 1.242 -6.262 -10.167 1.00 0.00 H new ATOM 0 HE ARG A 59 1.138 -6.485 -13.159 1.00 0.00 H new ATOM 0 HH11 ARG A 59 2.948 -6.607 -10.117 1.00 0.00 H new ATOM 0 HH12 ARG A 59 4.520 -6.591 -10.924 1.00 0.00 H new ATOM 0 HH21 ARG A 59 3.161 -6.421 -14.174 1.00 0.00 H new ATOM 0 HH22 ARG A 59 4.639 -6.487 -13.209 1.00 0.00 H new ATOM 966 N PHE A 60 -1.503 -4.867 -7.927 1.00 0.00 N ATOM 967 CA PHE A 60 -2.340 -3.832 -7.360 1.00 0.00 C ATOM 968 C PHE A 60 -3.256 -3.285 -8.436 1.00 0.00 C ATOM 969 O PHE A 60 -2.860 -3.152 -9.599 1.00 0.00 O ATOM 970 CB PHE A 60 -1.479 -2.704 -6.775 1.00 0.00 C ATOM 971 CG PHE A 60 -0.573 -3.141 -5.650 1.00 0.00 C ATOM 972 CD1 PHE A 60 0.551 -3.909 -5.911 1.00 0.00 C ATOM 973 CD2 PHE A 60 -0.842 -2.782 -4.333 1.00 0.00 C ATOM 974 CE1 PHE A 60 1.383 -4.313 -4.893 1.00 0.00 C ATOM 975 CE2 PHE A 60 -0.008 -3.185 -3.312 1.00 0.00 C ATOM 976 CZ PHE A 60 1.105 -3.952 -3.594 1.00 0.00 C ATOM 0 H PHE A 60 -0.670 -4.512 -8.398 1.00 0.00 H new ATOM 0 HA PHE A 60 -2.938 -4.257 -6.554 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -0.871 -2.275 -7.571 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -2.134 -1.912 -6.413 1.00 0.00 H new ATOM 0 HD1 PHE A 60 0.777 -4.194 -6.928 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.712 -2.182 -4.109 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.254 -4.913 -5.113 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.225 -2.901 -2.293 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.758 -4.269 -2.795 1.00 0.00 H new ATOM 986 N ARG A 61 -4.467 -2.973 -8.070 1.00 0.00 N ATOM 987 CA ARG A 61 -5.451 -2.507 -9.015 1.00 0.00 C ATOM 988 C ARG A 61 -6.320 -1.427 -8.402 1.00 0.00 C ATOM 989 O ARG A 61 -6.617 -1.451 -7.206 1.00 0.00 O ATOM 990 CB ARG A 61 -6.300 -3.689 -9.443 1.00 0.00 C ATOM 991 CG ARG A 61 -7.401 -3.377 -10.428 1.00 0.00 C ATOM 992 CD ARG A 61 -8.666 -4.074 -10.013 1.00 0.00 C ATOM 993 NE ARG A 61 -9.535 -4.390 -11.142 1.00 0.00 N ATOM 994 CZ ARG A 61 -10.459 -5.352 -11.115 1.00 0.00 C ATOM 995 NH1 ARG A 61 -10.593 -6.121 -10.035 1.00 0.00 N ATOM 996 NH2 ARG A 61 -11.234 -5.555 -12.169 1.00 0.00 N ATOM 0 H ARG A 61 -4.803 -3.033 -7.109 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.950 -2.073 -9.880 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.647 -4.443 -9.882 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.747 -4.133 -8.554 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.566 -2.301 -10.474 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.109 -3.698 -11.428 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.412 -4.994 -9.487 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -9.208 -3.443 -9.308 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.430 -3.846 -11.998 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.988 -5.975 -9.227 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.300 -6.856 -10.017 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -11.125 -4.976 -13.002 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.940 -6.290 -12.148 1.00 0.00 H new ATOM 1010 N PHE A 62 -6.715 -0.468 -9.213 1.00 0.00 N ATOM 1011 CA PHE A 62 -7.565 0.611 -8.774 1.00 0.00 C ATOM 1012 C PHE A 62 -8.403 1.096 -9.936 1.00 0.00 C ATOM 1013 O PHE A 62 -7.954 1.089 -11.065 1.00 0.00 O ATOM 1014 CB PHE A 62 -6.727 1.756 -8.208 1.00 0.00 C ATOM 1015 CG PHE A 62 -7.538 2.880 -7.635 1.00 0.00 C ATOM 1016 CD1 PHE A 62 -8.014 2.808 -6.341 1.00 0.00 C ATOM 1017 CD2 PHE A 62 -7.821 4.007 -8.389 1.00 0.00 C ATOM 1018 CE1 PHE A 62 -8.757 3.837 -5.807 1.00 0.00 C ATOM 1019 CE2 PHE A 62 -8.568 5.040 -7.862 1.00 0.00 C ATOM 1020 CZ PHE A 62 -9.035 4.955 -6.569 1.00 0.00 C ATOM 0 H PHE A 62 -6.453 -0.418 -10.198 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.222 0.249 -7.984 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.070 1.363 -7.432 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.087 2.149 -8.998 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.801 1.935 -5.741 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.452 4.078 -9.402 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -9.122 3.770 -4.793 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.786 5.912 -8.461 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.618 5.762 -6.151 1.00 0.00 H new ATOM 1030 N ASP A 63 -9.622 1.518 -9.647 1.00 0.00 N ATOM 1031 CA ASP A 63 -10.579 1.986 -10.674 1.00 0.00 C ATOM 1032 C ASP A 63 -10.811 0.913 -11.726 1.00 0.00 C ATOM 1033 O ASP A 63 -11.211 1.190 -12.858 1.00 0.00 O ATOM 1034 CB ASP A 63 -10.035 3.237 -11.350 1.00 0.00 C ATOM 1035 CG ASP A 63 -11.090 3.996 -12.130 1.00 0.00 C ATOM 1036 OD1 ASP A 63 -12.186 4.236 -11.587 1.00 0.00 O ATOM 1037 OD2 ASP A 63 -10.822 4.367 -13.287 1.00 0.00 O ATOM 0 H ASP A 63 -9.991 1.552 -8.697 1.00 0.00 H new ATOM 0 HA ASP A 63 -11.526 2.209 -10.183 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.607 3.895 -10.594 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -9.225 2.956 -12.023 1.00 0.00 H new ATOM 1042 N GLY A 64 -10.569 -0.315 -11.353 1.00 0.00 N ATOM 1043 CA GLY A 64 -10.729 -1.406 -12.261 1.00 0.00 C ATOM 1044 C GLY A 64 -9.474 -1.660 -13.087 1.00 0.00 C ATOM 1045 O GLY A 64 -9.277 -2.754 -13.613 1.00 0.00 O ATOM 0 H GLY A 64 -10.258 -0.580 -10.418 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.982 -2.307 -11.702 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.565 -1.200 -12.929 1.00 0.00 H new ATOM 1049 N GLN A 65 -8.608 -0.660 -13.171 1.00 0.00 N ATOM 1050 CA GLN A 65 -7.381 -0.748 -13.960 1.00 0.00 C ATOM 1051 C GLN A 65 -6.180 -1.118 -13.079 1.00 0.00 C ATOM 1052 O GLN A 65 -6.143 -0.791 -11.894 1.00 0.00 O ATOM 1053 CB GLN A 65 -7.126 0.581 -14.696 1.00 0.00 C ATOM 1054 CG GLN A 65 -7.099 1.794 -13.782 1.00 0.00 C ATOM 1055 CD GLN A 65 -6.914 3.100 -14.523 1.00 0.00 C ATOM 1056 OE1 GLN A 65 -7.323 3.246 -15.674 1.00 0.00 O ATOM 1057 NE2 GLN A 65 -6.298 4.059 -13.862 1.00 0.00 N ATOM 0 H GLN A 65 -8.733 0.234 -12.697 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.507 -1.540 -14.699 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -6.175 0.516 -15.225 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -7.901 0.723 -15.449 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -8.030 1.834 -13.216 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.292 1.677 -13.059 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.975 3.895 -12.909 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.144 4.965 -14.304 1.00 0.00 H new ATOM 1066 N PRO A 66 -5.191 -1.822 -13.643 1.00 0.00 N ATOM 1067 CA PRO A 66 -3.995 -2.236 -12.905 1.00 0.00 C ATOM 1068 C PRO A 66 -3.055 -1.062 -12.617 1.00 0.00 C ATOM 1069 O PRO A 66 -2.891 -0.158 -13.446 1.00 0.00 O ATOM 1070 CB PRO A 66 -3.328 -3.238 -13.844 1.00 0.00 C ATOM 1071 CG PRO A 66 -3.769 -2.829 -15.207 1.00 0.00 C ATOM 1072 CD PRO A 66 -5.158 -2.272 -15.047 1.00 0.00 C ATOM 0 HA PRO A 66 -4.241 -2.649 -11.927 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -2.242 -3.205 -13.752 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.636 -4.259 -13.618 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.095 -2.082 -15.627 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.766 -3.679 -15.889 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -5.342 -1.448 -15.737 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.918 -3.028 -15.244 1.00 0.00 H new ATOM 1080 N ILE A 67 -2.441 -1.074 -11.446 1.00 0.00 N ATOM 1081 CA ILE A 67 -1.532 -0.013 -11.044 1.00 0.00 C ATOM 1082 C ILE A 67 -0.093 -0.409 -11.353 1.00 0.00 C ATOM 1083 O ILE A 67 0.261 -1.591 -11.334 1.00 0.00 O ATOM 1084 CB ILE A 67 -1.648 0.282 -9.527 1.00 0.00 C ATOM 1085 CG1 ILE A 67 -3.112 0.422 -9.103 1.00 0.00 C ATOM 1086 CG2 ILE A 67 -0.876 1.542 -9.168 1.00 0.00 C ATOM 1087 CD1 ILE A 67 -3.284 0.663 -7.619 1.00 0.00 C ATOM 0 H ILE A 67 -2.557 -1.813 -10.752 1.00 0.00 H new ATOM 0 HA ILE A 67 -1.805 0.882 -11.603 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.216 -0.561 -8.989 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.565 1.247 -9.653 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.652 -0.483 -9.382 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.969 1.733 -8.099 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.175 1.410 -9.423 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.281 2.387 -9.724 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -4.345 0.753 -7.386 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.860 -0.173 -7.063 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.771 1.583 -7.338 1.00 0.00 H new ATOM 1099 N ASN A 68 0.740 0.575 -11.637 1.00 0.00 N ATOM 1100 CA ASN A 68 2.138 0.329 -11.926 1.00 0.00 C ATOM 1101 C ASN A 68 2.980 1.193 -11.034 1.00 0.00 C ATOM 1102 O ASN A 68 2.466 2.059 -10.330 1.00 0.00 O ATOM 1103 CB ASN A 68 2.477 0.673 -13.379 1.00 0.00 C ATOM 1104 CG ASN A 68 1.376 0.344 -14.343 1.00 0.00 C ATOM 1105 OD1 ASN A 68 1.298 -0.766 -14.873 1.00 0.00 O ATOM 1106 ND2 ASN A 68 0.530 1.310 -14.587 1.00 0.00 N ATOM 0 H ASN A 68 0.469 1.558 -11.673 1.00 0.00 H new ATOM 0 HA ASN A 68 2.337 -0.729 -11.757 1.00 0.00 H new ATOM 0 HB2 ASN A 68 2.705 1.737 -13.449 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.378 0.134 -13.671 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -0.238 1.162 -15.242 1.00 0.00 H new ATOM 0 HD22 ASN A 68 0.638 2.212 -14.122 1.00 0.00 H new ATOM 1113 N GLU A 69 4.280 0.992 -11.066 1.00 0.00 N ATOM 1114 CA GLU A 69 5.177 1.810 -10.280 1.00 0.00 C ATOM 1115 C GLU A 69 5.330 3.189 -10.925 1.00 0.00 C ATOM 1116 O GLU A 69 5.910 4.108 -10.345 1.00 0.00 O ATOM 1117 CB GLU A 69 6.545 1.139 -10.143 1.00 0.00 C ATOM 1118 CG GLU A 69 7.320 1.024 -11.444 1.00 0.00 C ATOM 1119 CD GLU A 69 8.783 0.739 -11.206 1.00 0.00 C ATOM 1120 OE1 GLU A 69 9.525 1.687 -10.869 1.00 0.00 O ATOM 1121 OE2 GLU A 69 9.199 -0.432 -11.348 1.00 0.00 O ATOM 0 H GLU A 69 4.737 0.272 -11.626 1.00 0.00 H new ATOM 0 HA GLU A 69 4.751 1.927 -9.283 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.143 1.703 -9.427 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.407 0.141 -9.727 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.890 0.229 -12.053 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.218 1.950 -12.010 1.00 0.00 H new ATOM 1128 N THR A 70 4.807 3.314 -12.138 1.00 0.00 N ATOM 1129 CA THR A 70 4.875 4.539 -12.905 1.00 0.00 C ATOM 1130 C THR A 70 3.652 5.414 -12.672 1.00 0.00 C ATOM 1131 O THR A 70 3.568 6.544 -13.162 1.00 0.00 O ATOM 1132 CB THR A 70 4.998 4.211 -14.396 1.00 0.00 C ATOM 1133 OG1 THR A 70 3.994 3.246 -14.753 1.00 0.00 O ATOM 1134 CG2 THR A 70 6.372 3.637 -14.698 1.00 0.00 C ATOM 0 H THR A 70 4.320 2.557 -12.617 1.00 0.00 H new ATOM 0 HA THR A 70 5.753 5.093 -12.574 1.00 0.00 H new ATOM 0 HB THR A 70 4.860 5.126 -14.973 1.00 0.00 H new ATOM 0 HG1 THR A 70 4.068 3.035 -15.707 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.445 3.409 -15.761 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.137 4.365 -14.430 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.520 2.725 -14.120 1.00 0.00 H new ATOM 1142 N ASP A 71 2.704 4.903 -11.916 1.00 0.00 N ATOM 1143 CA ASP A 71 1.508 5.651 -11.622 1.00 0.00 C ATOM 1144 C ASP A 71 1.598 6.378 -10.295 1.00 0.00 C ATOM 1145 O ASP A 71 2.196 5.892 -9.330 1.00 0.00 O ATOM 1146 CB ASP A 71 0.289 4.757 -11.653 1.00 0.00 C ATOM 1147 CG ASP A 71 -0.241 4.605 -13.044 1.00 0.00 C ATOM 1148 OD1 ASP A 71 0.219 3.706 -13.749 1.00 0.00 O ATOM 1149 OD2 ASP A 71 -1.097 5.413 -13.455 1.00 0.00 O ATOM 0 H ASP A 71 2.741 3.974 -11.496 1.00 0.00 H new ATOM 0 HA ASP A 71 1.408 6.406 -12.402 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.544 3.777 -11.250 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.486 5.174 -11.010 1.00 0.00 H new ATOM 1154 N THR A 72 1.024 7.557 -10.261 1.00 0.00 N ATOM 1155 CA THR A 72 0.963 8.365 -9.068 1.00 0.00 C ATOM 1156 C THR A 72 -0.478 8.435 -8.578 1.00 0.00 C ATOM 1157 O THR A 72 -1.405 8.343 -9.382 1.00 0.00 O ATOM 1158 CB THR A 72 1.482 9.785 -9.352 1.00 0.00 C ATOM 1159 OG1 THR A 72 1.440 10.040 -10.767 1.00 0.00 O ATOM 1160 CG2 THR A 72 2.903 9.955 -8.839 1.00 0.00 C ATOM 0 H THR A 72 0.580 7.987 -11.073 1.00 0.00 H new ATOM 0 HA THR A 72 1.591 7.911 -8.302 1.00 0.00 H new ATOM 0 HB THR A 72 0.843 10.499 -8.832 1.00 0.00 H new ATOM 0 HG1 THR A 72 0.664 10.601 -10.975 1.00 0.00 H new ATOM 0 HG21 THR A 72 3.248 10.967 -9.051 1.00 0.00 H new ATOM 0 HG22 THR A 72 2.924 9.783 -7.763 1.00 0.00 H new ATOM 0 HG23 THR A 72 3.557 9.237 -9.334 1.00 0.00 H new ATOM 1168 N PRO A 73 -0.695 8.618 -7.264 1.00 0.00 N ATOM 1169 CA PRO A 73 -2.048 8.656 -6.682 1.00 0.00 C ATOM 1170 C PRO A 73 -2.910 9.758 -7.294 1.00 0.00 C ATOM 1171 O PRO A 73 -4.131 9.636 -7.403 1.00 0.00 O ATOM 1172 CB PRO A 73 -1.795 8.942 -5.192 1.00 0.00 C ATOM 1173 CG PRO A 73 -0.404 9.477 -5.129 1.00 0.00 C ATOM 1174 CD PRO A 73 0.345 8.823 -6.244 1.00 0.00 C ATOM 0 HA PRO A 73 -2.593 7.729 -6.864 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.513 9.664 -4.802 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.896 8.036 -4.594 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.399 10.561 -5.240 1.00 0.00 H new ATOM 0 HG3 PRO A 73 0.056 9.253 -4.167 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.153 9.455 -6.613 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.794 7.881 -5.931 1.00 0.00 H new ATOM 1182 N ALA A 74 -2.266 10.824 -7.724 1.00 0.00 N ATOM 1183 CA ALA A 74 -2.963 11.958 -8.292 1.00 0.00 C ATOM 1184 C ALA A 74 -3.411 11.692 -9.731 1.00 0.00 C ATOM 1185 O ALA A 74 -4.231 12.425 -10.285 1.00 0.00 O ATOM 1186 CB ALA A 74 -2.087 13.192 -8.217 1.00 0.00 C ATOM 0 H ALA A 74 -1.252 10.928 -7.690 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.866 12.126 -7.705 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.618 14.042 -8.646 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.845 13.404 -7.175 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.167 13.019 -8.775 1.00 0.00 H new ATOM 1192 N GLN A 75 -2.887 10.633 -10.338 1.00 0.00 N ATOM 1193 CA GLN A 75 -3.243 10.294 -11.711 1.00 0.00 C ATOM 1194 C GLN A 75 -4.613 9.657 -11.762 1.00 0.00 C ATOM 1195 O GLN A 75 -5.399 9.899 -12.679 1.00 0.00 O ATOM 1196 CB GLN A 75 -2.209 9.348 -12.322 1.00 0.00 C ATOM 1197 CG GLN A 75 -1.528 9.915 -13.553 1.00 0.00 C ATOM 1198 CD GLN A 75 -0.856 11.245 -13.282 1.00 0.00 C ATOM 1199 OE1 GLN A 75 -0.374 11.505 -12.176 1.00 0.00 O ATOM 1200 NE2 GLN A 75 -0.831 12.101 -14.279 1.00 0.00 N ATOM 0 H GLN A 75 -2.218 9.997 -9.904 1.00 0.00 H new ATOM 0 HA GLN A 75 -3.259 11.217 -12.291 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -1.453 9.115 -11.572 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -2.697 8.409 -12.585 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -0.786 9.203 -13.914 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -2.264 10.038 -14.347 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -1.240 11.848 -15.178 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -0.402 13.018 -14.153 1.00 0.00 H new ATOM 1209 N LEU A 76 -4.912 8.848 -10.768 1.00 0.00 N ATOM 1210 CA LEU A 76 -6.188 8.171 -10.703 1.00 0.00 C ATOM 1211 C LEU A 76 -7.183 9.013 -9.926 1.00 0.00 C ATOM 1212 O LEU A 76 -8.271 8.551 -9.596 1.00 0.00 O ATOM 1213 CB LEU A 76 -6.039 6.792 -10.045 1.00 0.00 C ATOM 1214 CG LEU A 76 -4.759 6.020 -10.389 1.00 0.00 C ATOM 1215 CD1 LEU A 76 -3.694 6.262 -9.335 1.00 0.00 C ATOM 1216 CD2 LEU A 76 -5.043 4.537 -10.525 1.00 0.00 C ATOM 0 H LEU A 76 -4.285 8.643 -9.990 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.555 8.029 -11.719 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.083 6.920 -8.963 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.896 6.181 -10.329 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.389 6.385 -11.347 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.793 5.707 -9.594 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.464 7.326 -9.288 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.060 5.927 -8.364 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.120 4.011 -10.769 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.441 4.155 -9.585 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.773 4.378 -11.319 1.00 0.00 H new ATOM 1228 N GLU A 77 -6.784 10.277 -9.631 1.00 0.00 N ATOM 1229 CA GLU A 77 -7.601 11.254 -8.875 1.00 0.00 C ATOM 1230 C GLU A 77 -8.262 10.618 -7.653 1.00 0.00 C ATOM 1231 O GLU A 77 -9.384 10.961 -7.273 1.00 0.00 O ATOM 1232 CB GLU A 77 -8.634 11.961 -9.789 1.00 0.00 C ATOM 1233 CG GLU A 77 -9.624 11.039 -10.486 1.00 0.00 C ATOM 1234 CD GLU A 77 -10.480 11.765 -11.495 1.00 0.00 C ATOM 1235 OE1 GLU A 77 -10.046 11.900 -12.656 1.00 0.00 O ATOM 1236 OE2 GLU A 77 -11.592 12.201 -11.137 1.00 0.00 O ATOM 0 H GLU A 77 -5.877 10.647 -9.915 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.923 12.022 -8.503 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.192 12.680 -9.190 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.095 12.528 -10.548 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.079 10.238 -10.986 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.266 10.570 -9.740 1.00 0.00 H new ATOM 1243 N MET A 78 -7.537 9.713 -7.018 1.00 0.00 N ATOM 1244 CA MET A 78 -8.030 8.996 -5.863 1.00 0.00 C ATOM 1245 C MET A 78 -7.997 9.885 -4.628 1.00 0.00 C ATOM 1246 O MET A 78 -7.271 10.888 -4.580 1.00 0.00 O ATOM 1247 CB MET A 78 -7.201 7.728 -5.652 1.00 0.00 C ATOM 1248 CG MET A 78 -5.756 7.993 -5.282 1.00 0.00 C ATOM 1249 SD MET A 78 -4.629 6.701 -5.860 1.00 0.00 S ATOM 1250 CE MET A 78 -5.420 5.235 -5.224 1.00 0.00 C ATOM 0 H MET A 78 -6.589 9.457 -7.292 1.00 0.00 H new ATOM 0 HA MET A 78 -9.067 8.708 -6.036 1.00 0.00 H new ATOM 0 HB2 MET A 78 -7.663 7.130 -4.866 1.00 0.00 H new ATOM 0 HB3 MET A 78 -7.229 7.132 -6.564 1.00 0.00 H new ATOM 0 HG2 MET A 78 -5.449 8.950 -5.703 1.00 0.00 H new ATOM 0 HG3 MET A 78 -5.674 8.080 -4.199 1.00 0.00 H new ATOM 0 HE1 MET A 78 -4.669 4.578 -4.784 1.00 0.00 H new ATOM 0 HE2 MET A 78 -6.148 5.515 -4.462 1.00 0.00 H new ATOM 0 HE3 MET A 78 -5.927 4.714 -6.036 1.00 0.00 H new ATOM 1260 N GLU A 79 -8.773 9.528 -3.632 1.00 0.00 N ATOM 1261 CA GLU A 79 -8.890 10.324 -2.426 1.00 0.00 C ATOM 1262 C GLU A 79 -8.346 9.563 -1.235 1.00 0.00 C ATOM 1263 O GLU A 79 -8.059 8.369 -1.326 1.00 0.00 O ATOM 1264 CB GLU A 79 -10.358 10.657 -2.191 1.00 0.00 C ATOM 1265 CG GLU A 79 -11.206 9.432 -1.889 1.00 0.00 C ATOM 1266 CD GLU A 79 -12.666 9.646 -2.171 1.00 0.00 C ATOM 1267 OE1 GLU A 79 -13.381 10.167 -1.294 1.00 0.00 O ATOM 1268 OE2 GLU A 79 -13.116 9.281 -3.271 1.00 0.00 O ATOM 0 H GLU A 79 -9.341 8.681 -3.631 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.313 11.241 -2.546 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.437 11.360 -1.361 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.756 11.159 -3.073 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.846 8.592 -2.483 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.080 9.159 -0.841 1.00 0.00 H new ATOM 1275 N ASP A 80 -8.161 10.254 -0.117 1.00 0.00 N ATOM 1276 CA ASP A 80 -7.742 9.609 1.114 1.00 0.00 C ATOM 1277 C ASP A 80 -8.743 8.549 1.548 1.00 0.00 C ATOM 1278 O ASP A 80 -9.956 8.695 1.344 1.00 0.00 O ATOM 1279 CB ASP A 80 -7.554 10.643 2.235 1.00 0.00 C ATOM 1280 CG ASP A 80 -8.783 11.502 2.462 1.00 0.00 C ATOM 1281 OD1 ASP A 80 -9.034 12.410 1.648 1.00 0.00 O ATOM 1282 OD2 ASP A 80 -9.497 11.279 3.460 1.00 0.00 O ATOM 0 H ASP A 80 -8.296 11.262 -0.041 1.00 0.00 H new ATOM 0 HA ASP A 80 -6.786 9.122 0.921 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.304 10.125 3.161 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.708 11.286 1.991 1.00 0.00 H new ATOM 1287 N GLU A 81 -8.215 7.473 2.133 1.00 0.00 N ATOM 1288 CA GLU A 81 -8.991 6.341 2.614 1.00 0.00 C ATOM 1289 C GLU A 81 -9.488 5.473 1.469 1.00 0.00 C ATOM 1290 O GLU A 81 -10.359 4.620 1.651 1.00 0.00 O ATOM 1291 CB GLU A 81 -10.135 6.808 3.497 1.00 0.00 C ATOM 1292 CG GLU A 81 -9.657 7.443 4.779 1.00 0.00 C ATOM 1293 CD GLU A 81 -9.182 6.422 5.785 1.00 0.00 C ATOM 1294 OE1 GLU A 81 -9.921 5.432 6.030 1.00 0.00 O ATOM 1295 OE2 GLU A 81 -8.079 6.587 6.333 1.00 0.00 O ATOM 0 H GLU A 81 -7.212 7.367 2.287 1.00 0.00 H new ATOM 0 HA GLU A 81 -8.332 5.720 3.220 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -10.745 7.524 2.946 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -10.776 5.959 3.734 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -8.845 8.136 4.557 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -10.466 8.029 5.215 1.00 0.00 H new ATOM 1302 N ASP A 82 -8.922 5.667 0.284 1.00 0.00 N ATOM 1303 CA ASP A 82 -9.309 4.865 -0.866 1.00 0.00 C ATOM 1304 C ASP A 82 -8.727 3.467 -0.753 1.00 0.00 C ATOM 1305 O ASP A 82 -7.702 3.262 -0.101 1.00 0.00 O ATOM 1306 CB ASP A 82 -8.883 5.518 -2.168 1.00 0.00 C ATOM 1307 CG ASP A 82 -10.013 5.542 -3.163 1.00 0.00 C ATOM 1308 OD1 ASP A 82 -10.635 4.481 -3.380 1.00 0.00 O ATOM 1309 OD2 ASP A 82 -10.303 6.628 -3.716 1.00 0.00 O ATOM 0 H ASP A 82 -8.202 6.365 0.097 1.00 0.00 H new ATOM 0 HA ASP A 82 -10.397 4.794 -0.874 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -8.545 6.536 -1.973 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -8.036 4.976 -2.589 1.00 0.00 H new ATOM 1314 N THR A 83 -9.369 2.499 -1.383 1.00 0.00 N ATOM 1315 CA THR A 83 -8.953 1.112 -1.252 1.00 0.00 C ATOM 1316 C THR A 83 -8.383 0.532 -2.557 1.00 0.00 C ATOM 1317 O THR A 83 -8.965 0.670 -3.632 1.00 0.00 O ATOM 1318 CB THR A 83 -10.125 0.250 -0.765 1.00 0.00 C ATOM 1319 OG1 THR A 83 -10.723 0.889 0.371 1.00 0.00 O ATOM 1320 CG2 THR A 83 -9.653 -1.143 -0.368 1.00 0.00 C ATOM 0 H THR A 83 -10.177 2.646 -1.988 1.00 0.00 H new ATOM 0 HA THR A 83 -8.149 1.094 -0.516 1.00 0.00 H new ATOM 0 HB THR A 83 -10.848 0.148 -1.574 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.475 0.349 0.692 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.504 -1.732 -0.027 1.00 0.00 H new ATOM 0 HG22 THR A 83 -9.195 -1.631 -1.229 1.00 0.00 H new ATOM 0 HG23 THR A 83 -8.921 -1.064 0.436 1.00 0.00 H new ATOM 1328 N ILE A 84 -7.233 -0.111 -2.441 1.00 0.00 N ATOM 1329 CA ILE A 84 -6.561 -0.758 -3.556 1.00 0.00 C ATOM 1330 C ILE A 84 -6.938 -2.241 -3.600 1.00 0.00 C ATOM 1331 O ILE A 84 -7.084 -2.878 -2.558 1.00 0.00 O ATOM 1332 CB ILE A 84 -5.018 -0.649 -3.398 1.00 0.00 C ATOM 1333 CG1 ILE A 84 -4.594 0.808 -3.164 1.00 0.00 C ATOM 1334 CG2 ILE A 84 -4.312 -1.226 -4.619 1.00 0.00 C ATOM 1335 CD1 ILE A 84 -4.783 1.703 -4.351 1.00 0.00 C ATOM 0 H ILE A 84 -6.733 -0.200 -1.557 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.872 -0.261 -4.475 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.724 -1.231 -2.525 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.164 1.210 -2.326 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.544 0.826 -2.873 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.233 -1.141 -4.490 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.582 -2.276 -4.733 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.615 -0.675 -5.509 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.459 2.713 -4.100 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.191 1.329 -5.187 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.836 1.719 -4.631 1.00 0.00 H new ATOM 1347 N ASP A 85 -7.095 -2.787 -4.795 1.00 0.00 N ATOM 1348 CA ASP A 85 -7.434 -4.200 -4.955 1.00 0.00 C ATOM 1349 C ASP A 85 -6.201 -5.005 -5.335 1.00 0.00 C ATOM 1350 O ASP A 85 -5.604 -4.786 -6.382 1.00 0.00 O ATOM 1351 CB ASP A 85 -8.512 -4.379 -6.029 1.00 0.00 C ATOM 1352 CG ASP A 85 -8.945 -5.825 -6.194 1.00 0.00 C ATOM 1353 OD1 ASP A 85 -9.150 -6.510 -5.172 1.00 0.00 O ATOM 1354 OD2 ASP A 85 -9.122 -6.272 -7.355 1.00 0.00 O ATOM 0 H ASP A 85 -6.994 -2.276 -5.672 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.818 -4.563 -4.002 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -9.380 -3.772 -5.771 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -8.135 -4.007 -6.981 1.00 0.00 H new ATOM 1359 N VAL A 86 -5.801 -5.912 -4.477 1.00 0.00 N ATOM 1360 CA VAL A 86 -4.657 -6.766 -4.750 1.00 0.00 C ATOM 1361 C VAL A 86 -5.092 -8.199 -4.965 1.00 0.00 C ATOM 1362 O VAL A 86 -5.901 -8.745 -4.207 1.00 0.00 O ATOM 1363 CB VAL A 86 -3.606 -6.703 -3.617 1.00 0.00 C ATOM 1364 CG1 VAL A 86 -2.570 -7.808 -3.759 1.00 0.00 C ATOM 1365 CG2 VAL A 86 -2.925 -5.365 -3.631 1.00 0.00 C ATOM 0 H VAL A 86 -6.250 -6.083 -3.577 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.194 -6.392 -5.663 1.00 0.00 H new ATOM 0 HB VAL A 86 -4.123 -6.844 -2.668 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.846 -7.735 -2.947 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.065 -8.778 -3.718 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.055 -7.704 -4.714 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.185 -5.325 -2.831 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.430 -5.219 -4.591 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.665 -4.579 -3.481 1.00 0.00 H new ATOM 1375 N PHE A 87 -4.533 -8.823 -5.972 1.00 0.00 N ATOM 1376 CA PHE A 87 -4.866 -10.190 -6.309 1.00 0.00 C ATOM 1377 C PHE A 87 -3.598 -10.971 -6.598 1.00 0.00 C ATOM 1378 O PHE A 87 -2.546 -10.381 -6.872 1.00 0.00 O ATOM 1379 CB PHE A 87 -5.853 -10.253 -7.484 1.00 0.00 C ATOM 1380 CG PHE A 87 -5.539 -9.313 -8.611 1.00 0.00 C ATOM 1381 CD1 PHE A 87 -6.021 -8.011 -8.596 1.00 0.00 C ATOM 1382 CD2 PHE A 87 -4.775 -9.726 -9.688 1.00 0.00 C ATOM 1383 CE1 PHE A 87 -5.745 -7.149 -9.626 1.00 0.00 C ATOM 1384 CE2 PHE A 87 -4.497 -8.860 -10.727 1.00 0.00 C ATOM 1385 CZ PHE A 87 -4.983 -7.570 -10.695 1.00 0.00 C ATOM 0 H PHE A 87 -3.834 -8.400 -6.583 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.366 -10.649 -5.456 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.872 -11.272 -7.872 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.854 -10.034 -7.113 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.620 -7.673 -7.763 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.392 -10.736 -9.716 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -6.125 -6.138 -9.600 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -3.900 -9.192 -11.563 1.00 0.00 H new ATOM 0 HZ PHE A 87 -4.767 -6.890 -11.506 1.00 0.00 H new ATOM 1395 N GLN A 88 -3.676 -12.291 -6.523 1.00 0.00 N ATOM 1396 CA GLN A 88 -2.507 -13.137 -6.698 1.00 0.00 C ATOM 1397 C GLN A 88 -2.286 -13.500 -8.169 1.00 0.00 C ATOM 1398 O GLN A 88 -3.144 -14.095 -8.818 1.00 0.00 O ATOM 1399 CB GLN A 88 -2.655 -14.414 -5.863 1.00 0.00 C ATOM 1400 CG GLN A 88 -1.366 -15.205 -5.703 1.00 0.00 C ATOM 1401 CD GLN A 88 -0.662 -14.944 -4.377 1.00 0.00 C ATOM 1402 OE1 GLN A 88 0.034 -15.808 -3.857 1.00 0.00 O ATOM 1403 NE2 GLN A 88 -0.843 -13.761 -3.822 1.00 0.00 N ATOM 0 H GLN A 88 -4.541 -12.800 -6.341 1.00 0.00 H new ATOM 0 HA GLN A 88 -1.637 -12.575 -6.358 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -3.030 -14.148 -4.875 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -3.406 -15.054 -6.327 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -1.588 -16.269 -5.786 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -0.690 -14.955 -6.521 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -1.429 -13.066 -4.283 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -0.397 -13.542 -2.931 1.00 0.00 H new ATOM 1412 N GLN A 89 -1.129 -13.132 -8.684 1.00 0.00 N ATOM 1413 CA GLN A 89 -0.738 -13.444 -10.053 1.00 0.00 C ATOM 1414 C GLN A 89 0.315 -14.546 -10.065 1.00 0.00 C ATOM 1415 O GLN A 89 1.041 -14.727 -11.043 1.00 0.00 O ATOM 1416 CB GLN A 89 -0.188 -12.195 -10.745 1.00 0.00 C ATOM 1417 CG GLN A 89 -1.232 -11.128 -11.045 1.00 0.00 C ATOM 1418 CD GLN A 89 -2.244 -11.558 -12.098 1.00 0.00 C ATOM 1419 OE1 GLN A 89 -2.579 -12.736 -12.225 1.00 0.00 O ATOM 1420 NE2 GLN A 89 -2.728 -10.602 -12.867 1.00 0.00 N ATOM 0 H GLN A 89 -0.427 -12.605 -8.165 1.00 0.00 H new ATOM 0 HA GLN A 89 -1.619 -13.790 -10.593 1.00 0.00 H new ATOM 0 HB2 GLN A 89 0.588 -11.759 -10.116 1.00 0.00 H new ATOM 0 HB3 GLN A 89 0.288 -12.493 -11.679 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -1.759 -10.876 -10.125 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -0.729 -10.222 -11.382 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -2.427 -9.637 -12.732 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -3.404 -10.828 -13.597 1.00 0.00 H new ATOM 1429 N GLN A 90 0.391 -15.292 -8.969 1.00 0.00 N ATOM 1430 CA GLN A 90 1.349 -16.381 -8.839 1.00 0.00 C ATOM 1431 C GLN A 90 1.059 -17.461 -9.874 1.00 0.00 C ATOM 1432 O GLN A 90 -0.042 -18.018 -9.915 1.00 0.00 O ATOM 1433 CB GLN A 90 1.285 -16.974 -7.431 1.00 0.00 C ATOM 1434 CG GLN A 90 2.335 -18.041 -7.155 1.00 0.00 C ATOM 1435 CD GLN A 90 2.129 -18.724 -5.820 1.00 0.00 C ATOM 1436 OE1 GLN A 90 1.437 -19.738 -5.731 1.00 0.00 O ATOM 1437 NE2 GLN A 90 2.727 -18.184 -4.778 1.00 0.00 N ATOM 0 H GLN A 90 -0.205 -15.160 -8.152 1.00 0.00 H new ATOM 0 HA GLN A 90 2.351 -15.988 -9.010 1.00 0.00 H new ATOM 0 HB2 GLN A 90 1.401 -16.170 -6.705 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.296 -17.405 -7.275 1.00 0.00 H new ATOM 0 HG2 GLN A 90 2.308 -18.787 -7.949 1.00 0.00 H new ATOM 0 HG3 GLN A 90 3.325 -17.586 -7.178 1.00 0.00 H new ATOM 0 HE21 GLN A 90 3.292 -17.343 -4.894 1.00 0.00 H new ATOM 0 HE22 GLN A 90 2.625 -18.607 -3.855 1.00 0.00 H new ATOM 1446 N THR A 91 2.041 -17.745 -10.716 1.00 0.00 N ATOM 1447 CA THR A 91 1.898 -18.733 -11.768 1.00 0.00 C ATOM 1448 C THR A 91 1.573 -20.116 -11.194 1.00 0.00 C ATOM 1449 O THR A 91 2.358 -20.694 -10.435 1.00 0.00 O ATOM 1450 CB THR A 91 3.186 -18.818 -12.604 1.00 0.00 C ATOM 1451 OG1 THR A 91 3.634 -17.492 -12.920 1.00 0.00 O ATOM 1452 CG2 THR A 91 2.942 -19.588 -13.894 1.00 0.00 C ATOM 0 H THR A 91 2.957 -17.297 -10.687 1.00 0.00 H new ATOM 0 HA THR A 91 1.071 -18.417 -12.404 1.00 0.00 H new ATOM 0 HB THR A 91 3.945 -19.342 -12.024 1.00 0.00 H new ATOM 0 HG1 THR A 91 4.456 -17.542 -13.451 1.00 0.00 H new ATOM 0 HG21 THR A 91 3.866 -19.636 -14.470 1.00 0.00 H new ATOM 0 HG22 THR A 91 2.609 -20.599 -13.657 1.00 0.00 H new ATOM 0 HG23 THR A 91 2.175 -19.082 -14.480 1.00 0.00 H new ATOM 1460 N GLY A 92 0.415 -20.635 -11.549 1.00 0.00 N ATOM 1461 CA GLY A 92 0.011 -21.936 -11.076 1.00 0.00 C ATOM 1462 C GLY A 92 0.437 -23.028 -12.024 1.00 0.00 C ATOM 1463 O GLY A 92 -0.376 -23.561 -12.782 1.00 0.00 O ATOM 0 H GLY A 92 -0.258 -20.175 -12.162 1.00 0.00 H new ATOM 0 HA2 GLY A 92 0.445 -22.117 -10.093 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -1.072 -21.960 -10.956 1.00 0.00 H new ATOM 1467 N GLY A 93 1.712 -23.357 -12.003 1.00 0.00 N ATOM 1468 CA GLY A 93 2.226 -24.382 -12.878 1.00 0.00 C ATOM 1469 C GLY A 93 2.792 -25.548 -12.108 1.00 0.00 C ATOM 1470 O GLY A 93 3.722 -26.202 -12.612 1.00 0.00 O ATOM 1471 OXT GLY A 93 2.314 -25.814 -10.993 1.00 0.00 O ATOM 0 H GLY A 93 2.407 -22.929 -11.391 1.00 0.00 H new ATOM 0 HA2 GLY A 93 1.429 -24.733 -13.534 1.00 0.00 H new ATOM 0 HA3 GLY A 93 3.001 -23.959 -13.517 1.00 0.00 H new TER 1475 GLY A 93