USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 562 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 31 ASN : amide:sc= -9.21! C(o=-12!,f=-14!) USER MOD Set 1.2: A 45 CYS SG : rot -50:sc= -2.45! USER MOD Single : A 1 MET CE :methyl -143:sc= -0.415 (180deg=-1.79!) USER MOD Single : A 1 MET N :NH3+ -171:sc= -0.0232 (180deg=-0.167) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -131:sc= -2.82 (180deg=-5.05!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.142 K(o=-0.14,f=-1.8!) USER MOD Single : A 21 ASN : amide:sc=-0.00844 K(o=-0.0084,f=-2!) USER MOD Single : A 24 GLN : amide:sc= -0.302 K(o=-0.3,f=-0.89!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -90:sc= 0.673 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.23 K(o=-0.23,f=-2.7!) USER MOD Single : A 59 GLN : amide:sc= -0.279 X(o=-0.28,f=-0.065) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 112:sc= -6.18! USER MOD Single : A 66 ASN : amide:sc= -0.0589 X(o=-0.059,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.136 -12.476 -14.394 1.00 0.00 N ATOM 2 CA MET A 1 7.158 -11.393 -14.485 1.00 0.00 C ATOM 3 C MET A 1 8.489 -11.871 -13.892 1.00 0.00 C ATOM 4 O MET A 1 9.541 -11.350 -14.206 1.00 0.00 O ATOM 5 CB MET A 1 6.585 -10.240 -13.659 1.00 0.00 C ATOM 6 CG MET A 1 6.954 -8.911 -14.319 1.00 0.00 C ATOM 7 SD MET A 1 8.624 -8.427 -13.814 1.00 0.00 S ATOM 8 CE MET A 1 8.252 -8.118 -12.068 1.00 0.00 C ATOM 0 H1 MET A 1 5.289 -12.200 -14.931 1.00 0.00 H new ATOM 0 H2 MET A 1 6.526 -13.355 -14.789 1.00 0.00 H new ATOM 0 H3 MET A 1 5.879 -12.628 -13.398 1.00 0.00 H new ATOM 0 HA MET A 1 7.358 -11.097 -15.515 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.502 -10.334 -13.586 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.978 -10.276 -12.643 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.904 -9.006 -15.404 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.239 -8.140 -14.033 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.830 -7.263 -11.719 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.189 -7.908 -11.954 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.513 -8.997 -11.479 1.00 0.00 H new ATOM 20 N VAL A 2 8.449 -12.861 -13.042 1.00 0.00 N ATOM 21 CA VAL A 2 9.711 -13.377 -12.434 1.00 0.00 C ATOM 22 C VAL A 2 10.403 -12.274 -11.624 1.00 0.00 C ATOM 23 O VAL A 2 9.764 -11.513 -10.925 1.00 0.00 O ATOM 24 CB VAL A 2 10.583 -13.799 -13.622 1.00 0.00 C ATOM 25 CG1 VAL A 2 11.592 -14.855 -13.164 1.00 0.00 C ATOM 26 CG2 VAL A 2 9.699 -14.388 -14.725 1.00 0.00 C ATOM 0 H VAL A 2 7.597 -13.335 -12.742 1.00 0.00 H new ATOM 0 HA VAL A 2 9.528 -14.204 -11.749 1.00 0.00 H new ATOM 0 HB VAL A 2 11.113 -12.928 -14.008 1.00 0.00 H new ATOM 0 HG11 VAL A 2 12.212 -15.156 -14.008 1.00 0.00 H new ATOM 0 HG12 VAL A 2 12.224 -14.438 -12.379 1.00 0.00 H new ATOM 0 HG13 VAL A 2 11.059 -15.724 -12.778 1.00 0.00 H new ATOM 0 HG21 VAL A 2 10.321 -14.687 -15.569 1.00 0.00 H new ATOM 0 HG22 VAL A 2 9.167 -15.258 -14.339 1.00 0.00 H new ATOM 0 HG23 VAL A 2 8.979 -13.639 -15.053 1.00 0.00 H new ATOM 36 N ASP A 3 11.704 -12.185 -11.709 1.00 0.00 N ATOM 37 CA ASP A 3 12.430 -11.134 -10.938 1.00 0.00 C ATOM 38 C ASP A 3 12.112 -11.259 -9.445 1.00 0.00 C ATOM 39 O ASP A 3 11.723 -12.307 -8.971 1.00 0.00 O ATOM 40 CB ASP A 3 11.905 -9.807 -11.489 1.00 0.00 C ATOM 41 CG ASP A 3 13.016 -9.098 -12.266 1.00 0.00 C ATOM 42 OD1 ASP A 3 14.116 -9.626 -12.305 1.00 0.00 O ATOM 43 OD2 ASP A 3 12.749 -8.038 -12.808 1.00 0.00 O ATOM 0 H ASP A 3 12.294 -12.793 -12.277 1.00 0.00 H new ATOM 0 HA ASP A 3 13.512 -11.219 -11.040 1.00 0.00 H new ATOM 0 HB2 ASP A 3 11.049 -9.985 -12.140 1.00 0.00 H new ATOM 0 HB3 ASP A 3 11.558 -9.174 -10.672 1.00 0.00 H new ATOM 48 N SER A 4 12.274 -10.199 -8.702 1.00 0.00 N ATOM 49 CA SER A 4 11.978 -10.262 -7.242 1.00 0.00 C ATOM 50 C SER A 4 10.752 -9.405 -6.912 1.00 0.00 C ATOM 51 O SER A 4 10.209 -8.727 -7.762 1.00 0.00 O ATOM 52 CB SER A 4 13.224 -9.696 -6.563 1.00 0.00 C ATOM 53 OG SER A 4 14.380 -10.319 -7.106 1.00 0.00 O ATOM 0 H SER A 4 12.598 -9.293 -9.041 1.00 0.00 H new ATOM 0 HA SER A 4 11.755 -11.276 -6.909 1.00 0.00 H new ATOM 0 HB2 SER A 4 13.275 -8.617 -6.712 1.00 0.00 H new ATOM 0 HB3 SER A 4 13.176 -9.868 -5.488 1.00 0.00 H new ATOM 0 HG SER A 4 15.181 -9.956 -6.673 1.00 0.00 H new ATOM 59 N LYS A 5 10.313 -9.429 -5.684 1.00 0.00 N ATOM 60 CA LYS A 5 9.124 -8.615 -5.300 1.00 0.00 C ATOM 61 C LYS A 5 7.916 -8.999 -6.161 1.00 0.00 C ATOM 62 O LYS A 5 7.799 -8.592 -7.301 1.00 0.00 O ATOM 63 CB LYS A 5 9.538 -7.168 -5.566 1.00 0.00 C ATOM 64 CG LYS A 5 10.850 -6.869 -4.835 1.00 0.00 C ATOM 65 CD LYS A 5 10.582 -5.902 -3.680 1.00 0.00 C ATOM 66 CE LYS A 5 9.829 -6.636 -2.566 1.00 0.00 C ATOM 67 NZ LYS A 5 8.387 -6.377 -2.838 1.00 0.00 N ATOM 0 H LYS A 5 10.726 -9.977 -4.929 1.00 0.00 H new ATOM 0 HA LYS A 5 8.832 -8.772 -4.262 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.661 -7.005 -6.637 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.757 -6.487 -5.227 1.00 0.00 H new ATOM 0 HG2 LYS A 5 11.286 -7.793 -4.456 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.573 -6.435 -5.526 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.522 -5.505 -3.298 1.00 0.00 H new ATOM 0 HD3 LYS A 5 9.997 -5.052 -4.031 1.00 0.00 H new ATOM 0 HE2 LYS A 5 10.047 -7.704 -2.580 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.118 -6.264 -1.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.921 -6.058 -1.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.298 -5.641 -3.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.934 -7.252 -3.172 1.00 0.00 H new ATOM 81 N LYS A 6 7.017 -9.780 -5.625 1.00 0.00 N ATOM 82 CA LYS A 6 5.816 -10.191 -6.412 1.00 0.00 C ATOM 83 C LYS A 6 4.550 -10.027 -5.576 1.00 0.00 C ATOM 84 O LYS A 6 3.468 -10.378 -6.001 1.00 0.00 O ATOM 85 CB LYS A 6 6.047 -11.665 -6.744 1.00 0.00 C ATOM 86 CG LYS A 6 5.860 -12.509 -5.480 1.00 0.00 C ATOM 87 CD LYS A 6 5.954 -13.993 -5.837 1.00 0.00 C ATOM 88 CE LYS A 6 7.393 -14.477 -5.634 1.00 0.00 C ATOM 89 NZ LYS A 6 7.263 -15.786 -4.934 1.00 0.00 N ATOM 0 H LYS A 6 7.061 -10.152 -4.676 1.00 0.00 H new ATOM 0 HA LYS A 6 5.685 -9.584 -7.308 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.349 -11.988 -7.516 1.00 0.00 H new ATOM 0 HB3 LYS A 6 7.052 -11.806 -7.143 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.621 -12.253 -4.743 1.00 0.00 H new ATOM 0 HG3 LYS A 6 4.892 -12.294 -5.027 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.273 -14.572 -5.213 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.649 -14.149 -6.872 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.910 -14.588 -6.587 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.968 -13.767 -5.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.209 -16.182 -4.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.773 -15.648 -4.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.717 -16.444 -5.526 1.00 0.00 H new ATOM 103 N ARG A 7 4.670 -9.488 -4.391 1.00 0.00 N ATOM 104 CA ARG A 7 3.458 -9.304 -3.542 1.00 0.00 C ATOM 105 C ARG A 7 2.577 -10.560 -3.651 1.00 0.00 C ATOM 106 O ARG A 7 3.058 -11.604 -4.045 1.00 0.00 O ATOM 107 CB ARG A 7 2.756 -8.074 -4.133 1.00 0.00 C ATOM 108 CG ARG A 7 3.786 -7.165 -4.813 1.00 0.00 C ATOM 109 CD ARG A 7 4.925 -6.859 -3.836 1.00 0.00 C ATOM 110 NE ARG A 7 6.160 -6.904 -4.666 1.00 0.00 N ATOM 111 CZ ARG A 7 6.460 -5.901 -5.445 1.00 0.00 C ATOM 112 NH1 ARG A 7 6.378 -4.680 -4.996 1.00 0.00 N ATOM 113 NH2 ARG A 7 6.840 -6.120 -6.675 1.00 0.00 N ATOM 0 H ARG A 7 5.547 -9.170 -3.978 1.00 0.00 H new ATOM 0 HA ARG A 7 3.682 -9.161 -2.485 1.00 0.00 H new ATOM 0 HB2 ARG A 7 2.001 -8.386 -4.854 1.00 0.00 H new ATOM 0 HB3 ARG A 7 2.238 -7.526 -3.346 1.00 0.00 H new ATOM 0 HG2 ARG A 7 4.180 -7.649 -5.706 1.00 0.00 H new ATOM 0 HG3 ARG A 7 3.311 -6.238 -5.136 1.00 0.00 H new ATOM 0 HD2 ARG A 7 4.796 -5.881 -3.372 1.00 0.00 H new ATOM 0 HD3 ARG A 7 4.963 -7.592 -3.030 1.00 0.00 H new ATOM 0 HE ARG A 7 6.772 -7.719 -4.626 1.00 0.00 H new ATOM 0 HH11 ARG A 7 6.079 -4.509 -4.036 1.00 0.00 H new ATOM 0 HH12 ARG A 7 6.612 -3.896 -5.605 1.00 0.00 H new ATOM 0 HH21 ARG A 7 6.902 -7.075 -7.027 1.00 0.00 H new ATOM 0 HH22 ARG A 7 7.074 -5.336 -7.284 1.00 0.00 H new ATOM 127 N PRO A 8 1.308 -10.431 -3.328 1.00 0.00 N ATOM 128 CA PRO A 8 0.404 -11.590 -3.441 1.00 0.00 C ATOM 129 C PRO A 8 0.099 -11.864 -4.918 1.00 0.00 C ATOM 130 O PRO A 8 -0.683 -12.732 -5.252 1.00 0.00 O ATOM 131 CB PRO A 8 -0.848 -11.160 -2.686 1.00 0.00 C ATOM 132 CG PRO A 8 -0.832 -9.661 -2.718 1.00 0.00 C ATOM 133 CD PRO A 8 0.614 -9.229 -2.841 1.00 0.00 C ATOM 0 HA PRO A 8 0.825 -12.510 -3.036 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.748 -11.554 -3.159 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -0.837 -11.532 -1.662 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -1.417 -9.288 -3.559 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.279 -9.252 -1.812 1.00 0.00 H new ATOM 0 HD2 PRO A 8 0.723 -8.397 -3.536 1.00 0.00 H new ATOM 0 HD3 PRO A 8 1.014 -8.899 -1.882 1.00 0.00 H new ATOM 141 N GLY A 9 0.727 -11.129 -5.802 1.00 0.00 N ATOM 142 CA GLY A 9 0.498 -11.338 -7.257 1.00 0.00 C ATOM 143 C GLY A 9 -0.999 -11.257 -7.560 1.00 0.00 C ATOM 144 O GLY A 9 -1.825 -11.284 -6.671 1.00 0.00 O ATOM 0 H GLY A 9 1.392 -10.390 -5.573 1.00 0.00 H new ATOM 0 HA2 GLY A 9 1.036 -10.584 -7.832 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.888 -12.309 -7.561 1.00 0.00 H new ATOM 148 N LYS A 10 -1.353 -11.161 -8.813 1.00 0.00 N ATOM 149 CA LYS A 10 -2.798 -11.081 -9.180 1.00 0.00 C ATOM 150 C LYS A 10 -3.454 -9.868 -8.514 1.00 0.00 C ATOM 151 O LYS A 10 -3.369 -9.682 -7.317 1.00 0.00 O ATOM 152 CB LYS A 10 -3.413 -12.377 -8.651 1.00 0.00 C ATOM 153 CG LYS A 10 -4.883 -12.450 -9.068 1.00 0.00 C ATOM 154 CD LYS A 10 -5.648 -13.344 -8.089 1.00 0.00 C ATOM 155 CE LYS A 10 -6.869 -12.589 -7.557 1.00 0.00 C ATOM 156 NZ LYS A 10 -7.147 -13.201 -6.227 1.00 0.00 N ATOM 0 H LYS A 10 -0.704 -11.134 -9.600 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.942 -10.967 -10.254 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.869 -13.237 -9.043 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.329 -12.415 -7.565 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.318 -11.451 -9.081 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.966 -12.847 -10.080 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.963 -14.261 -8.587 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.999 -13.636 -7.263 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.665 -11.522 -7.466 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.722 -12.695 -8.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.972 -12.737 -5.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.343 -14.215 -6.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.320 -13.079 -5.609 1.00 0.00 H new ATOM 170 N ASP A 11 -4.113 -9.044 -9.284 1.00 0.00 N ATOM 171 CA ASP A 11 -4.781 -7.843 -8.699 1.00 0.00 C ATOM 172 C ASP A 11 -3.891 -7.202 -7.631 1.00 0.00 C ATOM 173 O ASP A 11 -3.915 -7.586 -6.477 1.00 0.00 O ATOM 174 CB ASP A 11 -6.070 -8.374 -8.073 1.00 0.00 C ATOM 175 CG ASP A 11 -7.179 -7.330 -8.225 1.00 0.00 C ATOM 176 OD1 ASP A 11 -7.133 -6.338 -7.517 1.00 0.00 O ATOM 177 OD2 ASP A 11 -8.055 -7.541 -9.048 1.00 0.00 O ATOM 0 H ASP A 11 -4.218 -9.150 -10.293 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.975 -7.076 -9.448 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -6.364 -9.306 -8.556 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.909 -8.598 -7.019 1.00 0.00 H new ATOM 182 N LEU A 12 -3.109 -6.226 -8.003 1.00 0.00 N ATOM 183 CA LEU A 12 -2.222 -5.560 -7.006 1.00 0.00 C ATOM 184 C LEU A 12 -2.254 -4.044 -7.198 1.00 0.00 C ATOM 185 O LEU A 12 -1.800 -3.526 -8.198 1.00 0.00 O ATOM 186 CB LEU A 12 -0.824 -6.100 -7.299 1.00 0.00 C ATOM 187 CG LEU A 12 -0.386 -7.028 -6.167 1.00 0.00 C ATOM 188 CD1 LEU A 12 0.470 -8.158 -6.739 1.00 0.00 C ATOM 189 CD2 LEU A 12 0.433 -6.235 -5.146 1.00 0.00 C ATOM 0 H LEU A 12 -3.045 -5.861 -8.953 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.534 -5.759 -5.981 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.823 -6.639 -8.246 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.118 -5.275 -7.401 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.266 -7.448 -5.680 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.783 -8.821 -5.933 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.112 -8.722 -7.467 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.350 -7.737 -7.225 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.746 -6.896 -4.338 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.313 -5.815 -5.633 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.176 -5.428 -4.739 1.00 0.00 H new ATOM 201 N ASP A 13 -2.778 -3.326 -6.244 1.00 0.00 N ATOM 202 CA ASP A 13 -2.825 -1.844 -6.375 1.00 0.00 C ATOM 203 C ASP A 13 -1.409 -1.277 -6.413 1.00 0.00 C ATOM 204 O ASP A 13 -0.578 -1.600 -5.586 1.00 0.00 O ATOM 205 CB ASP A 13 -3.569 -1.358 -5.132 1.00 0.00 C ATOM 206 CG ASP A 13 -5.075 -1.518 -5.343 1.00 0.00 C ATOM 207 OD1 ASP A 13 -5.473 -2.542 -5.874 1.00 0.00 O ATOM 208 OD2 ASP A 13 -5.806 -0.614 -4.973 1.00 0.00 O ATOM 0 H ASP A 13 -3.174 -3.700 -5.382 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.320 -1.524 -7.292 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -3.251 -1.928 -4.259 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -3.328 -0.313 -4.936 1.00 0.00 H new ATOM 213 N ARG A 14 -1.123 -0.443 -7.370 1.00 0.00 N ATOM 214 CA ARG A 14 0.242 0.133 -7.467 1.00 0.00 C ATOM 215 C ARG A 14 0.716 0.614 -6.093 1.00 0.00 C ATOM 216 O ARG A 14 1.899 0.742 -5.843 1.00 0.00 O ATOM 217 CB ARG A 14 0.107 1.312 -8.434 1.00 0.00 C ATOM 218 CG ARG A 14 -0.308 0.796 -9.813 1.00 0.00 C ATOM 219 CD ARG A 14 0.648 -0.316 -10.253 1.00 0.00 C ATOM 220 NE ARG A 14 1.040 0.042 -11.644 1.00 0.00 N ATOM 221 CZ ARG A 14 0.330 -0.385 -12.652 1.00 0.00 C ATOM 222 NH1 ARG A 14 -0.911 -0.744 -12.470 1.00 0.00 N ATOM 223 NH2 ARG A 14 0.860 -0.450 -13.842 1.00 0.00 N ATOM 0 H ARG A 14 -1.777 -0.135 -8.090 1.00 0.00 H new ATOM 0 HA ARG A 14 0.973 -0.597 -7.814 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.634 2.019 -8.061 1.00 0.00 H new ATOM 0 HB3 ARG A 14 1.053 1.849 -8.504 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.330 0.419 -9.779 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -0.293 1.611 -10.537 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.518 -0.370 -9.599 1.00 0.00 H new ATOM 0 HD3 ARG A 14 0.162 -1.291 -10.218 1.00 0.00 H new ATOM 0 HE ARG A 14 1.863 0.621 -11.809 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -1.326 -0.691 -11.540 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -1.466 -1.078 -13.258 1.00 0.00 H new ATOM 0 HH21 ARG A 14 1.830 -0.167 -13.985 1.00 0.00 H new ATOM 0 HH22 ARG A 14 0.305 -0.784 -14.630 1.00 0.00 H new ATOM 237 N ILE A 15 -0.197 0.882 -5.199 1.00 0.00 N ATOM 238 CA ILE A 15 0.204 1.356 -3.843 1.00 0.00 C ATOM 239 C ILE A 15 0.790 0.202 -3.024 1.00 0.00 C ATOM 240 O ILE A 15 1.689 0.390 -2.232 1.00 0.00 O ATOM 241 CB ILE A 15 -1.086 1.865 -3.202 1.00 0.00 C ATOM 242 CG1 ILE A 15 -1.856 2.725 -4.211 1.00 0.00 C ATOM 243 CG2 ILE A 15 -0.742 2.710 -1.976 1.00 0.00 C ATOM 244 CD1 ILE A 15 -0.884 3.665 -4.933 1.00 0.00 C ATOM 0 H ILE A 15 -1.202 0.793 -5.349 1.00 0.00 H new ATOM 0 HA ILE A 15 0.970 2.130 -3.890 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.702 1.017 -2.903 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.365 2.087 -4.934 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.625 3.304 -3.699 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.660 3.075 -1.516 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.193 2.102 -1.257 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.127 3.557 -2.279 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.433 4.276 -5.650 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.395 4.312 -4.205 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.132 3.077 -5.459 1.00 0.00 H new ATOM 256 N ASP A 16 0.290 -0.988 -3.207 1.00 0.00 N ATOM 257 CA ASP A 16 0.823 -2.142 -2.428 1.00 0.00 C ATOM 258 C ASP A 16 2.150 -2.614 -3.019 1.00 0.00 C ATOM 259 O ASP A 16 3.104 -2.863 -2.308 1.00 0.00 O ATOM 260 CB ASP A 16 -0.240 -3.235 -2.557 1.00 0.00 C ATOM 261 CG ASP A 16 -1.495 -2.819 -1.787 1.00 0.00 C ATOM 262 OD1 ASP A 16 -1.987 -1.732 -2.042 1.00 0.00 O ATOM 263 OD2 ASP A 16 -1.942 -3.593 -0.958 1.00 0.00 O ATOM 0 H ASP A 16 -0.462 -1.212 -3.859 1.00 0.00 H new ATOM 0 HA ASP A 16 1.015 -1.881 -1.387 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.482 -3.399 -3.607 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.143 -4.178 -2.167 1.00 0.00 H new ATOM 268 N ARG A 17 2.224 -2.736 -4.314 1.00 0.00 N ATOM 269 CA ARG A 17 3.494 -3.189 -4.942 1.00 0.00 C ATOM 270 C ARG A 17 4.596 -2.174 -4.678 1.00 0.00 C ATOM 271 O ARG A 17 5.659 -2.507 -4.192 1.00 0.00 O ATOM 272 CB ARG A 17 3.190 -3.273 -6.437 1.00 0.00 C ATOM 273 CG ARG A 17 3.270 -4.730 -6.892 1.00 0.00 C ATOM 274 CD ARG A 17 3.304 -4.785 -8.420 1.00 0.00 C ATOM 275 NE ARG A 17 2.901 -6.177 -8.761 1.00 0.00 N ATOM 276 CZ ARG A 17 3.330 -6.729 -9.862 1.00 0.00 C ATOM 277 NH1 ARG A 17 3.027 -6.201 -11.016 1.00 0.00 N ATOM 278 NH2 ARG A 17 4.062 -7.808 -9.809 1.00 0.00 N ATOM 0 H ARG A 17 1.462 -2.542 -4.963 1.00 0.00 H new ATOM 0 HA ARG A 17 3.836 -4.144 -4.543 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.197 -2.871 -6.640 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.900 -2.666 -6.998 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.162 -5.202 -6.480 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.412 -5.287 -6.516 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.620 -4.057 -8.857 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.299 -4.557 -8.802 1.00 0.00 H new ATOM 0 HE ARG A 17 2.289 -6.699 -8.134 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.455 -5.357 -11.056 1.00 0.00 H new ATOM 0 HH12 ARG A 17 3.362 -6.632 -11.878 1.00 0.00 H new ATOM 0 HH21 ARG A 17 4.299 -8.220 -8.906 1.00 0.00 H new ATOM 0 HH22 ARG A 17 4.397 -8.240 -10.670 1.00 0.00 H new ATOM 292 N ASN A 18 4.347 -0.939 -4.972 1.00 0.00 N ATOM 293 CA ASN A 18 5.373 0.100 -4.715 1.00 0.00 C ATOM 294 C ASN A 18 5.684 0.143 -3.228 1.00 0.00 C ATOM 295 O ASN A 18 6.822 0.257 -2.823 1.00 0.00 O ATOM 296 CB ASN A 18 4.737 1.412 -5.170 1.00 0.00 C ATOM 297 CG ASN A 18 5.809 2.309 -5.794 1.00 0.00 C ATOM 298 OD1 ASN A 18 6.988 2.083 -5.610 1.00 0.00 O ATOM 299 ND2 ASN A 18 5.447 3.324 -6.529 1.00 0.00 N ATOM 0 H ASN A 18 3.476 -0.600 -5.380 1.00 0.00 H new ATOM 0 HA ASN A 18 6.309 -0.093 -5.240 1.00 0.00 H new ATOM 0 HB2 ASN A 18 3.947 1.214 -5.894 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.273 1.917 -4.323 1.00 0.00 H new ATOM 0 HD21 ASN A 18 6.154 3.927 -6.949 1.00 0.00 H new ATOM 0 HD22 ASN A 18 4.457 3.514 -6.684 1.00 0.00 H new ATOM 306 N ILE A 19 4.681 0.025 -2.404 1.00 0.00 N ATOM 307 CA ILE A 19 4.926 0.033 -0.942 1.00 0.00 C ATOM 308 C ILE A 19 5.751 -1.193 -0.555 1.00 0.00 C ATOM 309 O ILE A 19 6.636 -1.121 0.274 1.00 0.00 O ATOM 310 CB ILE A 19 3.539 -0.024 -0.301 1.00 0.00 C ATOM 311 CG1 ILE A 19 2.941 1.385 -0.255 1.00 0.00 C ATOM 312 CG2 ILE A 19 3.658 -0.573 1.119 1.00 0.00 C ATOM 313 CD1 ILE A 19 1.519 1.322 0.312 1.00 0.00 C ATOM 0 H ILE A 19 3.705 -0.076 -2.682 1.00 0.00 H new ATOM 0 HA ILE A 19 5.480 0.913 -0.615 1.00 0.00 H new ATOM 0 HB ILE A 19 2.892 -0.675 -0.889 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.561 2.034 0.363 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.926 1.817 -1.256 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.670 -0.614 1.577 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.085 -1.575 1.087 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.304 0.078 1.708 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.095 2.326 0.344 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.902 0.687 -0.324 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.547 0.908 1.320 1.00 0.00 H new ATOM 325 N LEU A 20 5.483 -2.315 -1.167 1.00 0.00 N ATOM 326 CA LEU A 20 6.274 -3.534 -0.851 1.00 0.00 C ATOM 327 C LEU A 20 7.665 -3.406 -1.465 1.00 0.00 C ATOM 328 O LEU A 20 8.650 -3.834 -0.895 1.00 0.00 O ATOM 329 CB LEU A 20 5.504 -4.686 -1.498 1.00 0.00 C ATOM 330 CG LEU A 20 4.413 -5.174 -0.545 1.00 0.00 C ATOM 331 CD1 LEU A 20 3.660 -6.341 -1.187 1.00 0.00 C ATOM 332 CD2 LEU A 20 5.051 -5.640 0.765 1.00 0.00 C ATOM 0 H LEU A 20 4.753 -2.438 -1.869 1.00 0.00 H new ATOM 0 HA LEU A 20 6.402 -3.689 0.220 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.060 -4.357 -2.437 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.185 -5.503 -1.736 1.00 0.00 H new ATOM 0 HG LEU A 20 3.718 -4.360 -0.342 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.882 -6.690 -0.508 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.205 -6.011 -2.121 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.356 -7.155 -1.390 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.273 -5.988 1.445 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.746 -6.454 0.562 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.589 -4.810 1.223 1.00 0.00 H new ATOM 344 N ASN A 21 7.756 -2.793 -2.616 1.00 0.00 N ATOM 345 CA ASN A 21 9.084 -2.610 -3.254 1.00 0.00 C ATOM 346 C ASN A 21 9.871 -1.549 -2.493 1.00 0.00 C ATOM 347 O ASN A 21 11.081 -1.600 -2.405 1.00 0.00 O ATOM 348 CB ASN A 21 8.781 -2.139 -4.677 1.00 0.00 C ATOM 349 CG ASN A 21 10.078 -2.087 -5.486 1.00 0.00 C ATOM 350 OD1 ASN A 21 11.091 -2.614 -5.068 1.00 0.00 O ATOM 351 ND2 ASN A 21 10.090 -1.472 -6.637 1.00 0.00 N ATOM 0 H ASN A 21 6.966 -2.413 -3.138 1.00 0.00 H new ATOM 0 HA ASN A 21 9.681 -3.522 -3.252 1.00 0.00 H new ATOM 0 HB2 ASN A 21 8.071 -2.816 -5.152 1.00 0.00 H new ATOM 0 HB3 ASN A 21 8.315 -1.154 -4.654 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.949 -1.434 -7.186 1.00 0.00 H new ATOM 0 HD22 ASN A 21 9.240 -1.030 -6.988 1.00 0.00 H new ATOM 358 N GLU A 22 9.188 -0.595 -1.924 1.00 0.00 N ATOM 359 CA GLU A 22 9.892 0.457 -1.150 1.00 0.00 C ATOM 360 C GLU A 22 10.410 -0.124 0.162 1.00 0.00 C ATOM 361 O GLU A 22 11.452 0.261 0.653 1.00 0.00 O ATOM 362 CB GLU A 22 8.837 1.532 -0.886 1.00 0.00 C ATOM 363 CG GLU A 22 8.395 2.149 -2.214 1.00 0.00 C ATOM 364 CD GLU A 22 9.060 3.514 -2.391 1.00 0.00 C ATOM 365 OE1 GLU A 22 10.185 3.665 -1.944 1.00 0.00 O ATOM 366 OE2 GLU A 22 8.432 4.386 -2.967 1.00 0.00 O ATOM 0 H GLU A 22 8.173 -0.501 -1.963 1.00 0.00 H new ATOM 0 HA GLU A 22 10.753 0.861 -1.683 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.980 1.097 -0.372 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.244 2.303 -0.232 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.666 1.491 -3.040 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.310 2.256 -2.234 1.00 0.00 H new ATOM 373 N LEU A 23 9.704 -1.067 0.726 1.00 0.00 N ATOM 374 CA LEU A 23 10.180 -1.683 1.990 1.00 0.00 C ATOM 375 C LEU A 23 11.417 -2.530 1.709 1.00 0.00 C ATOM 376 O LEU A 23 12.345 -2.572 2.493 1.00 0.00 O ATOM 377 CB LEU A 23 9.025 -2.555 2.468 1.00 0.00 C ATOM 378 CG LEU A 23 8.104 -1.724 3.361 1.00 0.00 C ATOM 379 CD1 LEU A 23 6.684 -2.278 3.285 1.00 0.00 C ATOM 380 CD2 LEU A 23 8.602 -1.790 4.807 1.00 0.00 C ATOM 0 H LEU A 23 8.823 -1.433 0.366 1.00 0.00 H new ATOM 0 HA LEU A 23 10.458 -0.943 2.740 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.470 -2.944 1.614 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.406 -3.415 3.019 1.00 0.00 H new ATOM 0 HG LEU A 23 8.107 -0.688 3.022 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.028 -1.685 3.922 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.330 -2.231 2.255 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.679 -3.314 3.623 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.946 -1.198 5.445 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.599 -2.826 5.146 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.616 -1.393 4.861 1.00 0.00 H new ATOM 392 N GLN A 24 11.452 -3.182 0.580 1.00 0.00 N ATOM 393 CA GLN A 24 12.645 -3.997 0.232 1.00 0.00 C ATOM 394 C GLN A 24 13.857 -3.080 0.080 1.00 0.00 C ATOM 395 O GLN A 24 14.932 -3.370 0.565 1.00 0.00 O ATOM 396 CB GLN A 24 12.301 -4.663 -1.099 1.00 0.00 C ATOM 397 CG GLN A 24 13.580 -5.189 -1.753 1.00 0.00 C ATOM 398 CD GLN A 24 14.175 -6.302 -0.887 1.00 0.00 C ATOM 399 OE1 GLN A 24 14.774 -6.037 0.136 1.00 0.00 O ATOM 400 NE2 GLN A 24 14.035 -7.546 -1.256 1.00 0.00 N ATOM 0 H GLN A 24 10.706 -3.185 -0.115 1.00 0.00 H new ATOM 0 HA GLN A 24 12.888 -4.736 0.996 1.00 0.00 H new ATOM 0 HB2 GLN A 24 11.600 -5.482 -0.937 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.810 -3.948 -1.759 1.00 0.00 H new ATOM 0 HG2 GLN A 24 13.361 -5.568 -2.751 1.00 0.00 H new ATOM 0 HG3 GLN A 24 14.301 -4.380 -1.870 1.00 0.00 H new ATOM 0 HE21 GLN A 24 13.532 -7.770 -2.115 1.00 0.00 H new ATOM 0 HE22 GLN A 24 14.428 -8.295 -0.686 1.00 0.00 H new ATOM 409 N LYS A 25 13.683 -1.958 -0.568 1.00 0.00 N ATOM 410 CA LYS A 25 14.820 -1.008 -0.721 1.00 0.00 C ATOM 411 C LYS A 25 15.151 -0.390 0.634 1.00 0.00 C ATOM 412 O LYS A 25 16.280 -0.035 0.909 1.00 0.00 O ATOM 413 CB LYS A 25 14.320 0.054 -1.720 1.00 0.00 C ATOM 414 CG LYS A 25 14.182 1.419 -1.027 1.00 0.00 C ATOM 415 CD LYS A 25 13.213 2.303 -1.818 1.00 0.00 C ATOM 416 CE LYS A 25 13.631 2.341 -3.294 1.00 0.00 C ATOM 417 NZ LYS A 25 14.447 3.579 -3.432 1.00 0.00 N ATOM 0 H LYS A 25 12.806 -1.661 -0.996 1.00 0.00 H new ATOM 0 HA LYS A 25 15.732 -1.486 -1.080 1.00 0.00 H new ATOM 0 HB2 LYS A 25 15.015 0.132 -2.556 1.00 0.00 H new ATOM 0 HB3 LYS A 25 13.358 -0.250 -2.133 1.00 0.00 H new ATOM 0 HG2 LYS A 25 13.819 1.285 -0.008 1.00 0.00 H new ATOM 0 HG3 LYS A 25 15.156 1.903 -0.957 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.198 1.917 -1.728 1.00 0.00 H new ATOM 0 HD3 LYS A 25 13.208 3.312 -1.406 1.00 0.00 H new ATOM 0 HE2 LYS A 25 14.208 1.456 -3.564 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.761 2.367 -3.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.770 3.674 -4.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.870 4.405 -3.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 15.272 3.523 -2.801 1.00 0.00 H new ATOM 431 N ASP A 26 14.175 -0.275 1.488 1.00 0.00 N ATOM 432 CA ASP A 26 14.433 0.299 2.830 1.00 0.00 C ATOM 433 C ASP A 26 13.781 -0.572 3.908 1.00 0.00 C ATOM 434 O ASP A 26 12.746 -0.235 4.448 1.00 0.00 O ATOM 435 CB ASP A 26 13.787 1.685 2.799 1.00 0.00 C ATOM 436 CG ASP A 26 14.860 2.754 3.019 1.00 0.00 C ATOM 437 OD1 ASP A 26 15.500 2.718 4.057 1.00 0.00 O ATOM 438 OD2 ASP A 26 15.023 3.590 2.146 1.00 0.00 O ATOM 0 H ASP A 26 13.210 -0.555 1.312 1.00 0.00 H new ATOM 0 HA ASP A 26 15.497 0.351 3.061 1.00 0.00 H new ATOM 0 HB2 ASP A 26 13.290 1.845 1.842 1.00 0.00 H new ATOM 0 HB3 ASP A 26 13.022 1.758 3.572 1.00 0.00 H new ATOM 443 N GLY A 27 14.372 -1.695 4.215 1.00 0.00 N ATOM 444 CA GLY A 27 13.779 -2.594 5.249 1.00 0.00 C ATOM 445 C GLY A 27 13.840 -1.916 6.622 1.00 0.00 C ATOM 446 O GLY A 27 14.422 -2.435 7.554 1.00 0.00 O ATOM 0 H GLY A 27 15.239 -2.030 3.795 1.00 0.00 H new ATOM 0 HA2 GLY A 27 12.745 -2.826 4.993 1.00 0.00 H new ATOM 0 HA3 GLY A 27 14.320 -3.540 5.276 1.00 0.00 H new ATOM 450 N ARG A 28 13.236 -0.768 6.755 1.00 0.00 N ATOM 451 CA ARG A 28 13.252 -0.063 8.071 1.00 0.00 C ATOM 452 C ARG A 28 12.450 1.238 7.983 1.00 0.00 C ATOM 453 O ARG A 28 12.731 2.200 8.670 1.00 0.00 O ATOM 454 CB ARG A 28 14.728 0.233 8.345 1.00 0.00 C ATOM 455 CG ARG A 28 15.252 1.233 7.312 1.00 0.00 C ATOM 456 CD ARG A 28 15.805 0.476 6.104 1.00 0.00 C ATOM 457 NE ARG A 28 17.196 0.979 5.938 1.00 0.00 N ATOM 458 CZ ARG A 28 17.993 0.420 5.070 1.00 0.00 C ATOM 459 NH1 ARG A 28 17.694 -0.746 4.565 1.00 0.00 N ATOM 460 NH2 ARG A 28 19.088 1.028 4.703 1.00 0.00 N ATOM 0 H ARG A 28 12.732 -0.286 6.011 1.00 0.00 H new ATOM 0 HA ARG A 28 12.803 -0.660 8.865 1.00 0.00 H new ATOM 0 HB2 ARG A 28 14.848 0.637 9.350 1.00 0.00 H new ATOM 0 HB3 ARG A 28 15.308 -0.689 8.301 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.451 1.903 6.999 1.00 0.00 H new ATOM 0 HG3 ARG A 28 16.032 1.854 7.754 1.00 0.00 H new ATOM 0 HD2 ARG A 28 15.792 -0.601 6.273 1.00 0.00 H new ATOM 0 HD3 ARG A 28 15.208 0.666 5.212 1.00 0.00 H new ATOM 0 HE ARG A 28 17.526 1.761 6.503 1.00 0.00 H new ATOM 0 HH11 ARG A 28 16.837 -1.220 4.849 1.00 0.00 H new ATOM 0 HH12 ARG A 28 18.318 -1.183 3.886 1.00 0.00 H new ATOM 0 HH21 ARG A 28 19.321 1.940 5.095 1.00 0.00 H new ATOM 0 HH22 ARG A 28 19.711 0.591 4.024 1.00 0.00 H new ATOM 474 N ILE A 29 11.455 1.276 7.141 1.00 0.00 N ATOM 475 CA ILE A 29 10.638 2.516 7.007 1.00 0.00 C ATOM 476 C ILE A 29 9.226 2.276 7.532 1.00 0.00 C ATOM 477 O ILE A 29 8.650 1.225 7.337 1.00 0.00 O ATOM 478 CB ILE A 29 10.610 2.811 5.507 1.00 0.00 C ATOM 479 CG1 ILE A 29 9.738 4.039 5.242 1.00 0.00 C ATOM 480 CG2 ILE A 29 10.033 1.608 4.761 1.00 0.00 C ATOM 481 CD1 ILE A 29 9.628 4.268 3.734 1.00 0.00 C ATOM 0 H ILE A 29 11.172 0.502 6.540 1.00 0.00 H new ATOM 0 HA ILE A 29 11.051 3.347 7.578 1.00 0.00 H new ATOM 0 HB ILE A 29 11.624 3.004 5.158 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.747 3.895 5.672 1.00 0.00 H new ATOM 0 HG13 ILE A 29 10.170 4.916 5.724 1.00 0.00 H new ATOM 0 HG21 ILE A 29 10.013 1.818 3.692 1.00 0.00 H new ATOM 0 HG22 ILE A 29 10.655 0.732 4.947 1.00 0.00 H new ATOM 0 HG23 ILE A 29 9.019 1.414 5.112 1.00 0.00 H new ATOM 0 HD11 ILE A 29 9.007 5.143 3.543 1.00 0.00 H new ATOM 0 HD12 ILE A 29 10.622 4.431 3.317 1.00 0.00 H new ATOM 0 HD13 ILE A 29 9.177 3.394 3.265 1.00 0.00 H new ATOM 493 N SER A 30 8.666 3.243 8.200 1.00 0.00 N ATOM 494 CA SER A 30 7.292 3.070 8.740 1.00 0.00 C ATOM 495 C SER A 30 6.260 3.246 7.622 1.00 0.00 C ATOM 496 O SER A 30 6.449 2.782 6.515 1.00 0.00 O ATOM 497 CB SER A 30 7.140 4.172 9.788 1.00 0.00 C ATOM 498 OG SER A 30 8.224 4.103 10.705 1.00 0.00 O ATOM 0 H SER A 30 9.100 4.145 8.395 1.00 0.00 H new ATOM 0 HA SER A 30 7.135 2.078 9.164 1.00 0.00 H new ATOM 0 HB2 SER A 30 7.120 5.149 9.305 1.00 0.00 H new ATOM 0 HB3 SER A 30 6.194 4.058 10.317 1.00 0.00 H new ATOM 0 HG SER A 30 8.129 4.810 11.377 1.00 0.00 H new ATOM 504 N ASN A 31 5.177 3.918 7.898 1.00 0.00 N ATOM 505 CA ASN A 31 4.143 4.133 6.845 1.00 0.00 C ATOM 506 C ASN A 31 4.142 5.595 6.408 1.00 0.00 C ATOM 507 O ASN A 31 4.042 5.896 5.239 1.00 0.00 O ATOM 508 CB ASN A 31 2.818 3.765 7.506 1.00 0.00 C ATOM 509 CG ASN A 31 2.309 2.447 6.921 1.00 0.00 C ATOM 510 OD1 ASN A 31 2.147 1.475 7.634 1.00 0.00 O ATOM 511 ND2 ASN A 31 2.055 2.370 5.644 1.00 0.00 N ATOM 0 H ASN A 31 4.962 4.328 8.807 1.00 0.00 H new ATOM 0 HA ASN A 31 4.327 3.534 5.953 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.950 3.671 8.584 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.085 4.555 7.343 1.00 0.00 H new ATOM 0 HD21 ASN A 31 1.720 1.494 5.243 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.191 3.186 5.047 1.00 0.00 H new ATOM 518 N VAL A 32 4.270 6.509 7.330 1.00 0.00 N ATOM 519 CA VAL A 32 4.296 7.946 6.940 1.00 0.00 C ATOM 520 C VAL A 32 5.202 8.124 5.724 1.00 0.00 C ATOM 521 O VAL A 32 4.758 8.493 4.655 1.00 0.00 O ATOM 522 CB VAL A 32 4.867 8.682 8.153 1.00 0.00 C ATOM 523 CG1 VAL A 32 5.104 10.149 7.795 1.00 0.00 C ATOM 524 CG2 VAL A 32 3.875 8.596 9.316 1.00 0.00 C ATOM 0 H VAL A 32 4.357 6.325 8.329 1.00 0.00 H new ATOM 0 HA VAL A 32 3.311 8.327 6.672 1.00 0.00 H new ATOM 0 HB VAL A 32 5.811 8.222 8.445 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.511 10.673 8.660 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.810 10.212 6.967 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.160 10.609 7.503 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.282 9.120 10.181 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.931 9.056 9.024 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.705 7.550 9.573 1.00 0.00 H new ATOM 534 N GLU A 33 6.464 7.823 5.864 1.00 0.00 N ATOM 535 CA GLU A 33 7.382 7.930 4.700 1.00 0.00 C ATOM 536 C GLU A 33 6.917 6.968 3.612 1.00 0.00 C ATOM 537 O GLU A 33 7.143 7.177 2.436 1.00 0.00 O ATOM 538 CB GLU A 33 8.754 7.515 5.236 1.00 0.00 C ATOM 539 CG GLU A 33 9.844 8.327 4.536 1.00 0.00 C ATOM 540 CD GLU A 33 10.017 9.669 5.250 1.00 0.00 C ATOM 541 OE1 GLU A 33 9.084 10.089 5.914 1.00 0.00 O ATOM 542 OE2 GLU A 33 11.081 10.253 5.120 1.00 0.00 O ATOM 0 H GLU A 33 6.896 7.509 6.733 1.00 0.00 H new ATOM 0 HA GLU A 33 7.409 8.931 4.269 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.800 7.678 6.313 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.915 6.450 5.068 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.784 7.776 4.542 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.577 8.490 3.492 1.00 0.00 H new ATOM 549 N LEU A 34 6.246 5.919 4.006 1.00 0.00 N ATOM 550 CA LEU A 34 5.734 4.933 3.017 1.00 0.00 C ATOM 551 C LEU A 34 4.465 5.468 2.351 1.00 0.00 C ATOM 552 O LEU A 34 4.015 4.957 1.348 1.00 0.00 O ATOM 553 CB LEU A 34 5.419 3.684 3.837 1.00 0.00 C ATOM 554 CG LEU A 34 6.095 2.471 3.199 1.00 0.00 C ATOM 555 CD1 LEU A 34 5.941 1.260 4.119 1.00 0.00 C ATOM 556 CD2 LEU A 34 5.435 2.173 1.850 1.00 0.00 C ATOM 0 H LEU A 34 6.030 5.703 4.979 1.00 0.00 H new ATOM 0 HA LEU A 34 6.452 4.731 2.222 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.768 3.811 4.862 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.341 3.530 3.885 1.00 0.00 H new ATOM 0 HG LEU A 34 7.154 2.681 3.049 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.423 0.394 3.665 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.408 1.472 5.081 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.882 1.049 4.268 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.916 1.308 1.393 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.376 1.962 2.002 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.542 3.037 1.194 1.00 0.00 H new ATOM 568 N SER A 35 3.870 6.481 2.925 1.00 0.00 N ATOM 569 CA SER A 35 2.614 7.048 2.352 1.00 0.00 C ATOM 570 C SER A 35 2.930 8.125 1.308 1.00 0.00 C ATOM 571 O SER A 35 2.325 8.180 0.256 1.00 0.00 O ATOM 572 CB SER A 35 1.893 7.664 3.539 1.00 0.00 C ATOM 573 OG SER A 35 2.466 8.932 3.835 1.00 0.00 O ATOM 0 H SER A 35 4.203 6.942 3.772 1.00 0.00 H new ATOM 0 HA SER A 35 2.016 6.289 1.847 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.832 7.775 3.316 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.969 7.007 4.406 1.00 0.00 H new ATOM 0 HG SER A 35 3.192 8.819 4.483 1.00 0.00 H new ATOM 579 N LYS A 36 3.850 9.001 1.606 1.00 0.00 N ATOM 580 CA LYS A 36 4.176 10.100 0.647 1.00 0.00 C ATOM 581 C LYS A 36 5.095 9.602 -0.471 1.00 0.00 C ATOM 582 O LYS A 36 4.940 9.967 -1.619 1.00 0.00 O ATOM 583 CB LYS A 36 4.892 11.151 1.493 1.00 0.00 C ATOM 584 CG LYS A 36 6.289 10.648 1.866 1.00 0.00 C ATOM 585 CD LYS A 36 6.913 11.591 2.896 1.00 0.00 C ATOM 586 CE LYS A 36 8.440 11.511 2.805 1.00 0.00 C ATOM 587 NZ LYS A 36 8.910 12.911 3.005 1.00 0.00 N ATOM 0 H LYS A 36 4.391 9.005 2.471 1.00 0.00 H new ATOM 0 HA LYS A 36 3.283 10.491 0.159 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.968 12.087 0.940 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.317 11.359 2.395 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.227 9.638 2.272 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.918 10.596 0.977 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.581 12.613 2.717 1.00 0.00 H new ATOM 0 HD3 LYS A 36 6.583 11.320 3.899 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.847 10.845 3.566 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.758 11.122 1.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.948 12.939 2.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.512 13.520 2.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.598 13.252 3.937 1.00 0.00 H new ATOM 601 N ARG A 37 6.063 8.794 -0.148 1.00 0.00 N ATOM 602 CA ARG A 37 7.002 8.301 -1.198 1.00 0.00 C ATOM 603 C ARG A 37 6.257 7.467 -2.237 1.00 0.00 C ATOM 604 O ARG A 37 6.751 7.219 -3.318 1.00 0.00 O ATOM 605 CB ARG A 37 8.022 7.450 -0.454 1.00 0.00 C ATOM 606 CG ARG A 37 7.373 6.142 -0.016 1.00 0.00 C ATOM 607 CD ARG A 37 8.369 5.348 0.820 1.00 0.00 C ATOM 608 NE ARG A 37 9.567 5.198 -0.054 1.00 0.00 N ATOM 609 CZ ARG A 37 10.727 4.909 0.472 1.00 0.00 C ATOM 610 NH1 ARG A 37 10.895 3.781 1.106 1.00 0.00 N ATOM 611 NH2 ARG A 37 11.718 5.751 0.364 1.00 0.00 N ATOM 0 H ARG A 37 6.247 8.452 0.795 1.00 0.00 H new ATOM 0 HA ARG A 37 7.475 9.121 -1.739 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.878 7.246 -1.097 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.397 7.991 0.415 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.472 6.345 0.564 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.068 5.563 -0.888 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.616 5.872 1.743 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.962 4.377 1.103 1.00 0.00 H new ATOM 0 HE ARG A 37 9.481 5.321 -1.063 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.120 3.124 1.191 1.00 0.00 H new ATOM 0 HH12 ARG A 37 11.802 3.557 1.516 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.586 6.633 -0.131 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.625 5.527 0.774 1.00 0.00 H new ATOM 625 N VAL A 38 5.076 7.040 -1.922 1.00 0.00 N ATOM 626 CA VAL A 38 4.295 6.226 -2.899 1.00 0.00 C ATOM 627 C VAL A 38 3.292 7.112 -3.633 1.00 0.00 C ATOM 628 O VAL A 38 2.863 6.808 -4.730 1.00 0.00 O ATOM 629 CB VAL A 38 3.572 5.177 -2.058 1.00 0.00 C ATOM 630 CG1 VAL A 38 4.583 4.160 -1.526 1.00 0.00 C ATOM 631 CG2 VAL A 38 2.875 5.864 -0.890 1.00 0.00 C ATOM 0 H VAL A 38 4.611 7.216 -1.031 1.00 0.00 H new ATOM 0 HA VAL A 38 4.930 5.767 -3.657 1.00 0.00 H new ATOM 0 HB VAL A 38 2.834 4.661 -2.672 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.065 3.412 -0.926 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.082 3.672 -2.363 1.00 0.00 H new ATOM 0 HG13 VAL A 38 5.323 4.671 -0.910 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.357 5.119 -0.286 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.615 6.378 -0.276 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.154 6.587 -1.271 1.00 0.00 H new ATOM 641 N GLY A 39 2.932 8.215 -3.047 1.00 0.00 N ATOM 642 CA GLY A 39 1.973 9.139 -3.716 1.00 0.00 C ATOM 643 C GLY A 39 0.582 9.016 -3.079 1.00 0.00 C ATOM 644 O GLY A 39 -0.425 9.132 -3.746 1.00 0.00 O ATOM 0 H GLY A 39 3.260 8.520 -2.131 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.329 10.166 -3.633 1.00 0.00 H new ATOM 0 HA3 GLY A 39 1.915 8.907 -4.779 1.00 0.00 H new ATOM 648 N LEU A 40 0.516 8.797 -1.792 1.00 0.00 N ATOM 649 CA LEU A 40 -0.819 8.686 -1.123 1.00 0.00 C ATOM 650 C LEU A 40 -0.719 9.084 0.342 1.00 0.00 C ATOM 651 O LEU A 40 0.355 9.193 0.897 1.00 0.00 O ATOM 652 CB LEU A 40 -1.212 7.209 -1.220 1.00 0.00 C ATOM 653 CG LEU A 40 0.022 6.335 -1.034 1.00 0.00 C ATOM 654 CD1 LEU A 40 -0.332 5.133 -0.151 1.00 0.00 C ATOM 655 CD2 LEU A 40 0.506 5.841 -2.400 1.00 0.00 C ATOM 0 H LEU A 40 1.322 8.690 -1.176 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.550 9.342 -1.595 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.956 6.970 -0.460 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.669 7.007 -2.189 1.00 0.00 H new ATOM 0 HG LEU A 40 0.811 6.916 -0.557 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.550 4.507 -0.017 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.678 5.485 0.821 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.121 4.551 -0.628 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.389 5.215 -2.269 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.283 5.260 -2.877 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.757 6.696 -3.028 1.00 0.00 H new ATOM 667 N SER A 41 -1.834 9.247 0.992 1.00 0.00 N ATOM 668 CA SER A 41 -1.802 9.572 2.437 1.00 0.00 C ATOM 669 C SER A 41 -1.421 8.327 3.207 1.00 0.00 C ATOM 670 O SER A 41 -1.553 7.227 2.709 1.00 0.00 O ATOM 671 CB SER A 41 -3.220 10.002 2.789 1.00 0.00 C ATOM 672 OG SER A 41 -3.352 11.405 2.591 1.00 0.00 O ATOM 0 H SER A 41 -2.765 9.169 0.583 1.00 0.00 H new ATOM 0 HA SER A 41 -1.082 10.353 2.679 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.939 9.467 2.168 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.442 9.747 3.825 1.00 0.00 H new ATOM 0 HG SER A 41 -4.265 11.683 2.816 1.00 0.00 H new ATOM 678 N PRO A 42 -0.943 8.529 4.384 1.00 0.00 N ATOM 679 CA PRO A 42 -0.516 7.398 5.205 1.00 0.00 C ATOM 680 C PRO A 42 -1.725 6.645 5.750 1.00 0.00 C ATOM 681 O PRO A 42 -1.817 5.441 5.624 1.00 0.00 O ATOM 682 CB PRO A 42 0.285 8.044 6.322 1.00 0.00 C ATOM 683 CG PRO A 42 -0.243 9.444 6.423 1.00 0.00 C ATOM 684 CD PRO A 42 -0.759 9.817 5.054 1.00 0.00 C ATOM 0 HA PRO A 42 0.066 6.662 4.651 1.00 0.00 H new ATOM 0 HB2 PRO A 42 0.157 7.506 7.261 1.00 0.00 H new ATOM 0 HB3 PRO A 42 1.351 8.040 6.095 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.039 9.504 7.165 1.00 0.00 H new ATOM 0 HG3 PRO A 42 0.542 10.131 6.740 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -1.695 10.372 5.117 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -0.050 10.448 4.518 1.00 0.00 H new ATOM 692 N THR A 43 -2.665 7.338 6.334 1.00 0.00 N ATOM 693 CA THR A 43 -3.872 6.642 6.863 1.00 0.00 C ATOM 694 C THR A 43 -4.287 5.528 5.890 1.00 0.00 C ATOM 695 O THR A 43 -4.406 4.382 6.276 1.00 0.00 O ATOM 696 CB THR A 43 -4.950 7.729 6.958 1.00 0.00 C ATOM 697 OG1 THR A 43 -4.903 8.325 8.248 1.00 0.00 O ATOM 698 CG2 THR A 43 -6.334 7.111 6.736 1.00 0.00 C ATOM 0 H THR A 43 -2.650 8.349 6.467 1.00 0.00 H new ATOM 0 HA THR A 43 -3.702 6.171 7.831 1.00 0.00 H new ATOM 0 HB THR A 43 -4.767 8.485 6.194 1.00 0.00 H new ATOM 0 HG1 THR A 43 -5.590 9.021 8.312 1.00 0.00 H new ATOM 0 HG21 THR A 43 -7.095 7.888 6.805 1.00 0.00 H new ATOM 0 HG22 THR A 43 -6.373 6.651 5.748 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.520 6.353 7.497 1.00 0.00 H new ATOM 706 N PRO A 44 -4.463 5.902 4.648 1.00 0.00 N ATOM 707 CA PRO A 44 -4.826 4.918 3.609 1.00 0.00 C ATOM 708 C PRO A 44 -3.600 4.096 3.208 1.00 0.00 C ATOM 709 O PRO A 44 -3.679 2.896 3.045 1.00 0.00 O ATOM 710 CB PRO A 44 -5.302 5.775 2.445 1.00 0.00 C ATOM 711 CG PRO A 44 -4.620 7.100 2.631 1.00 0.00 C ATOM 712 CD PRO A 44 -4.352 7.261 4.112 1.00 0.00 C ATOM 0 HA PRO A 44 -5.581 4.206 3.941 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.035 5.325 1.489 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.386 5.885 2.454 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.689 7.136 2.065 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -5.248 7.911 2.263 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -3.363 7.681 4.294 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -5.074 7.932 4.577 1.00 0.00 H new ATOM 720 N CYS A 45 -2.456 4.728 3.065 1.00 0.00 N ATOM 721 CA CYS A 45 -1.232 3.954 2.701 1.00 0.00 C ATOM 722 C CYS A 45 -1.236 2.649 3.469 1.00 0.00 C ATOM 723 O CYS A 45 -1.137 1.577 2.905 1.00 0.00 O ATOM 724 CB CYS A 45 -0.055 4.824 3.139 1.00 0.00 C ATOM 725 SG CYS A 45 1.497 3.985 2.733 1.00 0.00 S ATOM 0 H CYS A 45 -2.321 5.732 3.183 1.00 0.00 H new ATOM 0 HA CYS A 45 -1.179 3.722 1.637 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.099 5.792 2.640 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -0.109 5.015 4.211 1.00 0.00 H new ATOM 0 HG CYS A 45 1.459 2.764 3.177 1.00 0.00 H new ATOM 731 N LEU A 46 -1.416 2.728 4.753 1.00 0.00 N ATOM 732 CA LEU A 46 -1.501 1.497 5.559 1.00 0.00 C ATOM 733 C LEU A 46 -2.627 0.639 5.016 1.00 0.00 C ATOM 734 O LEU A 46 -2.462 -0.532 4.762 1.00 0.00 O ATOM 735 CB LEU A 46 -1.816 1.981 6.965 1.00 0.00 C ATOM 736 CG LEU A 46 -0.687 2.890 7.439 1.00 0.00 C ATOM 737 CD1 LEU A 46 -1.242 4.273 7.777 1.00 0.00 C ATOM 738 CD2 LEU A 46 -0.035 2.284 8.679 1.00 0.00 C ATOM 0 H LEU A 46 -1.508 3.598 5.277 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.591 0.897 5.539 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.763 2.520 6.975 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.925 1.132 7.640 1.00 0.00 H new ATOM 0 HG LEU A 46 0.055 2.987 6.646 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.431 4.918 8.115 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.704 4.706 6.890 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.987 4.183 8.567 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.772 2.932 9.019 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.779 2.185 9.470 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.368 1.301 8.435 1.00 0.00 H new ATOM 750 N GLU A 47 -3.765 1.230 4.785 1.00 0.00 N ATOM 751 CA GLU A 47 -4.885 0.455 4.203 1.00 0.00 C ATOM 752 C GLU A 47 -4.358 -0.368 3.026 1.00 0.00 C ATOM 753 O GLU A 47 -4.721 -1.513 2.837 1.00 0.00 O ATOM 754 CB GLU A 47 -5.889 1.501 3.722 1.00 0.00 C ATOM 755 CG GLU A 47 -7.218 1.306 4.453 1.00 0.00 C ATOM 756 CD GLU A 47 -8.370 1.412 3.453 1.00 0.00 C ATOM 757 OE1 GLU A 47 -8.104 1.741 2.308 1.00 0.00 O ATOM 758 OE2 GLU A 47 -9.495 1.163 3.848 1.00 0.00 O ATOM 0 H GLU A 47 -3.964 2.212 4.974 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.341 -0.234 4.914 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.503 2.503 3.908 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.037 1.411 2.646 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.236 0.333 4.943 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.330 2.058 5.234 1.00 0.00 H new ATOM 765 N ARG A 48 -3.467 0.205 2.254 1.00 0.00 N ATOM 766 CA ARG A 48 -2.876 -0.541 1.110 1.00 0.00 C ATOM 767 C ARG A 48 -1.912 -1.604 1.644 1.00 0.00 C ATOM 768 O ARG A 48 -1.953 -2.758 1.252 1.00 0.00 O ATOM 769 CB ARG A 48 -2.117 0.516 0.290 1.00 0.00 C ATOM 770 CG ARG A 48 -2.985 1.770 0.132 1.00 0.00 C ATOM 771 CD ARG A 48 -3.533 1.835 -1.294 1.00 0.00 C ATOM 772 NE ARG A 48 -4.994 2.072 -1.131 1.00 0.00 N ATOM 773 CZ ARG A 48 -5.842 1.494 -1.937 1.00 0.00 C ATOM 774 NH1 ARG A 48 -5.697 0.234 -2.242 1.00 0.00 N ATOM 775 NH2 ARG A 48 -6.839 2.175 -2.434 1.00 0.00 N ATOM 0 H ARG A 48 -3.126 1.159 2.371 1.00 0.00 H new ATOM 0 HA ARG A 48 -3.626 -1.052 0.506 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -1.180 0.771 0.786 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.860 0.114 -0.690 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -3.807 1.749 0.848 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -2.397 2.662 0.348 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.063 2.638 -1.862 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.341 0.908 -1.834 1.00 0.00 H new ATOM 0 HE ARG A 48 -5.332 2.686 -0.390 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.921 -0.299 -1.850 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -6.360 -0.218 -2.872 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -6.955 3.159 -2.192 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -7.502 1.723 -3.064 1.00 0.00 H new ATOM 789 N VAL A 49 -1.062 -1.225 2.558 1.00 0.00 N ATOM 790 CA VAL A 49 -0.108 -2.201 3.145 1.00 0.00 C ATOM 791 C VAL A 49 -0.869 -3.260 3.941 1.00 0.00 C ATOM 792 O VAL A 49 -0.689 -4.446 3.751 1.00 0.00 O ATOM 793 CB VAL A 49 0.793 -1.361 4.068 1.00 0.00 C ATOM 794 CG1 VAL A 49 0.666 -1.848 5.517 1.00 0.00 C ATOM 795 CG2 VAL A 49 2.243 -1.503 3.616 1.00 0.00 C ATOM 0 H VAL A 49 -0.989 -0.276 2.924 1.00 0.00 H new ATOM 0 HA VAL A 49 0.470 -2.732 2.389 1.00 0.00 H new ATOM 0 HB VAL A 49 0.485 -0.317 4.015 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.308 -1.246 6.161 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.369 -1.751 5.844 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.969 -2.893 5.577 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.886 -0.910 4.266 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.540 -2.550 3.669 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.340 -1.150 2.589 1.00 0.00 H new ATOM 805 N ARG A 50 -1.724 -2.839 4.830 1.00 0.00 N ATOM 806 CA ARG A 50 -2.497 -3.820 5.632 1.00 0.00 C ATOM 807 C ARG A 50 -3.047 -4.898 4.710 1.00 0.00 C ATOM 808 O ARG A 50 -2.963 -6.079 4.991 1.00 0.00 O ATOM 809 CB ARG A 50 -3.635 -3.016 6.269 1.00 0.00 C ATOM 810 CG ARG A 50 -3.066 -1.756 6.931 1.00 0.00 C ATOM 811 CD ARG A 50 -3.287 -1.821 8.442 1.00 0.00 C ATOM 812 NE ARG A 50 -4.695 -2.274 8.610 1.00 0.00 N ATOM 813 CZ ARG A 50 -5.153 -2.554 9.799 1.00 0.00 C ATOM 814 NH1 ARG A 50 -5.564 -1.594 10.583 1.00 0.00 N ATOM 815 NH2 ARG A 50 -5.197 -3.794 10.206 1.00 0.00 N ATOM 0 H ARG A 50 -1.919 -1.859 5.034 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.891 -4.315 6.391 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.368 -2.741 5.511 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.154 -3.625 7.009 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.002 -1.669 6.713 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.549 -0.869 6.521 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.591 -2.515 8.913 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.128 -0.847 8.906 1.00 0.00 H new ATOM 0 HE ARG A 50 -5.302 -2.365 7.795 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -5.527 -0.625 10.266 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -5.922 -1.813 11.513 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -4.873 -4.543 9.594 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.555 -4.013 11.136 1.00 0.00 H new ATOM 829 N ARG A 51 -3.575 -4.501 3.590 1.00 0.00 N ATOM 830 CA ARG A 51 -4.091 -5.502 2.620 1.00 0.00 C ATOM 831 C ARG A 51 -2.982 -6.502 2.302 1.00 0.00 C ATOM 832 O ARG A 51 -3.190 -7.699 2.295 1.00 0.00 O ATOM 833 CB ARG A 51 -4.470 -4.693 1.374 1.00 0.00 C ATOM 834 CG ARG A 51 -4.354 -5.575 0.126 1.00 0.00 C ATOM 835 CD ARG A 51 -5.115 -6.886 0.348 1.00 0.00 C ATOM 836 NE ARG A 51 -6.370 -6.739 -0.440 1.00 0.00 N ATOM 837 CZ ARG A 51 -6.689 -7.635 -1.335 1.00 0.00 C ATOM 838 NH1 ARG A 51 -6.531 -8.904 -1.075 1.00 0.00 N ATOM 839 NH2 ARG A 51 -7.168 -7.260 -2.491 1.00 0.00 N ATOM 0 H ARG A 51 -3.672 -3.527 3.304 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.943 -6.065 3.000 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.488 -4.316 1.470 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.816 -3.826 1.280 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -4.758 -5.051 -0.740 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.306 -5.783 -0.088 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -4.533 -7.743 0.008 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.329 -7.045 1.405 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.981 -5.938 -0.281 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -6.158 -9.197 -0.172 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.781 -9.603 -1.775 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.293 -6.268 -2.694 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -7.417 -7.959 -3.191 1.00 0.00 H new ATOM 853 N LEU A 52 -1.790 -6.017 2.068 1.00 0.00 N ATOM 854 CA LEU A 52 -0.657 -6.939 1.785 1.00 0.00 C ATOM 855 C LEU A 52 -0.363 -7.790 3.021 1.00 0.00 C ATOM 856 O LEU A 52 0.296 -8.808 2.948 1.00 0.00 O ATOM 857 CB LEU A 52 0.527 -6.029 1.460 1.00 0.00 C ATOM 858 CG LEU A 52 0.348 -5.448 0.058 1.00 0.00 C ATOM 859 CD1 LEU A 52 1.422 -4.393 -0.200 1.00 0.00 C ATOM 860 CD2 LEU A 52 0.474 -6.569 -0.977 1.00 0.00 C ATOM 0 H LEU A 52 -1.555 -5.024 2.061 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.871 -7.625 0.966 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.595 -5.225 2.193 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.459 -6.591 1.517 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.637 -4.988 -0.021 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.293 -3.980 -1.200 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.332 -3.595 0.537 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.408 -4.851 -0.121 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.347 -6.156 -1.978 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.459 -7.029 -0.897 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.294 -7.321 -0.794 1.00 0.00 H new ATOM 872 N GLU A 53 -0.857 -7.380 4.159 1.00 0.00 N ATOM 873 CA GLU A 53 -0.619 -8.163 5.406 1.00 0.00 C ATOM 874 C GLU A 53 -1.455 -9.445 5.394 1.00 0.00 C ATOM 875 O GLU A 53 -0.933 -10.539 5.479 1.00 0.00 O ATOM 876 CB GLU A 53 -1.076 -7.242 6.539 1.00 0.00 C ATOM 877 CG GLU A 53 -0.020 -7.225 7.643 1.00 0.00 C ATOM 878 CD GLU A 53 -0.666 -7.608 8.976 1.00 0.00 C ATOM 879 OE1 GLU A 53 -1.883 -7.569 9.054 1.00 0.00 O ATOM 880 OE2 GLU A 53 0.065 -7.934 9.896 1.00 0.00 O ATOM 0 H GLU A 53 -1.416 -6.535 4.279 1.00 0.00 H new ATOM 0 HA GLU A 53 0.423 -8.463 5.513 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.236 -6.233 6.159 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.030 -7.587 6.939 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.783 -7.922 7.403 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.429 -6.234 7.716 1.00 0.00 H new ATOM 887 N ARG A 54 -2.750 -9.318 5.292 1.00 0.00 N ATOM 888 CA ARG A 54 -3.620 -10.529 5.280 1.00 0.00 C ATOM 889 C ARG A 54 -3.093 -11.556 4.274 1.00 0.00 C ATOM 890 O ARG A 54 -3.289 -12.745 4.427 1.00 0.00 O ATOM 891 CB ARG A 54 -4.999 -10.022 4.856 1.00 0.00 C ATOM 892 CG ARG A 54 -4.873 -9.217 3.561 1.00 0.00 C ATOM 893 CD ARG A 54 -6.185 -9.310 2.778 1.00 0.00 C ATOM 894 NE ARG A 54 -7.236 -8.887 3.744 1.00 0.00 N ATOM 895 CZ ARG A 54 -8.362 -9.545 3.813 1.00 0.00 C ATOM 896 NH1 ARG A 54 -8.789 -10.217 2.780 1.00 0.00 N ATOM 897 NH2 ARG A 54 -9.060 -9.529 4.917 1.00 0.00 N ATOM 0 H ARG A 54 -3.243 -8.428 5.216 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.647 -11.025 6.250 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -5.677 -10.862 4.709 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.427 -9.400 5.643 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.644 -8.176 3.787 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.049 -9.601 2.959 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -6.169 -8.662 1.902 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -6.361 -10.325 2.421 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.077 -8.083 4.352 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -8.243 -10.229 1.918 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -9.668 -10.731 2.834 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -8.726 -9.003 5.724 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -9.940 -10.043 4.972 1.00 0.00 H new ATOM 911 N GLN A 55 -2.423 -11.109 3.247 1.00 0.00 N ATOM 912 CA GLN A 55 -1.884 -12.065 2.235 1.00 0.00 C ATOM 913 C GLN A 55 -0.564 -12.666 2.725 1.00 0.00 C ATOM 914 O GLN A 55 0.146 -13.316 1.983 1.00 0.00 O ATOM 915 CB GLN A 55 -1.655 -11.225 0.979 1.00 0.00 C ATOM 916 CG GLN A 55 -2.985 -11.024 0.249 1.00 0.00 C ATOM 917 CD GLN A 55 -3.499 -12.373 -0.257 1.00 0.00 C ATOM 918 OE1 GLN A 55 -2.825 -13.052 -1.008 1.00 0.00 O ATOM 919 NE2 GLN A 55 -4.673 -12.794 0.127 1.00 0.00 N ATOM 0 H GLN A 55 -2.225 -10.125 3.064 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.563 -12.897 2.051 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.226 -10.260 1.248 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.939 -11.720 0.323 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.716 -10.573 0.920 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.853 -10.337 -0.587 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -5.238 -12.224 0.757 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -5.025 -13.693 -0.203 1.00 0.00 H new ATOM 928 N GLY A 56 -0.230 -12.454 3.969 1.00 0.00 N ATOM 929 CA GLY A 56 1.045 -13.011 4.502 1.00 0.00 C ATOM 930 C GLY A 56 2.222 -12.429 3.720 1.00 0.00 C ATOM 931 O GLY A 56 3.114 -13.140 3.302 1.00 0.00 O ATOM 0 H GLY A 56 -0.784 -11.920 4.638 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.144 -12.772 5.561 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.042 -14.098 4.420 1.00 0.00 H new ATOM 935 N PHE A 57 2.231 -11.140 3.516 1.00 0.00 N ATOM 936 CA PHE A 57 3.351 -10.514 2.757 1.00 0.00 C ATOM 937 C PHE A 57 3.916 -9.320 3.530 1.00 0.00 C ATOM 938 O PHE A 57 4.637 -8.504 2.992 1.00 0.00 O ATOM 939 CB PHE A 57 2.726 -10.053 1.443 1.00 0.00 C ATOM 940 CG PHE A 57 3.283 -10.876 0.307 1.00 0.00 C ATOM 941 CD1 PHE A 57 2.909 -12.218 0.165 1.00 0.00 C ATOM 942 CD2 PHE A 57 4.176 -10.298 -0.600 1.00 0.00 C ATOM 943 CE1 PHE A 57 3.429 -12.981 -0.887 1.00 0.00 C ATOM 944 CE2 PHE A 57 4.696 -11.062 -1.653 1.00 0.00 C ATOM 945 CZ PHE A 57 4.323 -12.403 -1.796 1.00 0.00 C ATOM 0 H PHE A 57 1.512 -10.494 3.842 1.00 0.00 H new ATOM 0 HA PHE A 57 4.178 -11.206 2.597 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.642 -10.159 1.486 1.00 0.00 H new ATOM 0 HB3 PHE A 57 2.936 -8.996 1.278 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.220 -12.664 0.867 1.00 0.00 H new ATOM 0 HD2 PHE A 57 4.465 -9.263 -0.489 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.140 -14.016 -0.997 1.00 0.00 H new ATOM 0 HE2 PHE A 57 5.385 -10.616 -2.355 1.00 0.00 H new ATOM 0 HZ PHE A 57 4.725 -12.992 -2.607 1.00 0.00 H new ATOM 955 N ILE A 58 3.597 -9.214 4.791 1.00 0.00 N ATOM 956 CA ILE A 58 4.122 -8.074 5.599 1.00 0.00 C ATOM 957 C ILE A 58 4.550 -8.562 6.983 1.00 0.00 C ATOM 958 O ILE A 58 4.226 -7.967 7.988 1.00 0.00 O ATOM 959 CB ILE A 58 2.958 -7.086 5.709 1.00 0.00 C ATOM 960 CG1 ILE A 58 2.202 -7.027 4.378 1.00 0.00 C ATOM 961 CG2 ILE A 58 3.504 -5.694 6.037 1.00 0.00 C ATOM 962 CD1 ILE A 58 3.080 -6.346 3.326 1.00 0.00 C ATOM 0 H ILE A 58 2.997 -9.865 5.297 1.00 0.00 H new ATOM 0 HA ILE A 58 4.997 -7.614 5.140 1.00 0.00 H new ATOM 0 HB ILE A 58 2.281 -7.414 6.498 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.938 -8.033 4.052 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.269 -6.477 4.501 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.677 -4.988 6.116 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.043 -5.728 6.984 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.181 -5.373 5.245 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.544 -6.303 2.378 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.321 -5.335 3.653 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.001 -6.915 3.197 1.00 0.00 H new ATOM 974 N GLN A 59 5.292 -9.635 7.041 1.00 0.00 N ATOM 975 CA GLN A 59 5.757 -10.149 8.360 1.00 0.00 C ATOM 976 C GLN A 59 7.048 -9.439 8.762 1.00 0.00 C ATOM 977 O GLN A 59 7.480 -9.500 9.897 1.00 0.00 O ATOM 978 CB GLN A 59 6.011 -11.640 8.139 1.00 0.00 C ATOM 979 CG GLN A 59 7.013 -11.823 6.997 1.00 0.00 C ATOM 980 CD GLN A 59 8.253 -12.551 7.519 1.00 0.00 C ATOM 981 OE1 GLN A 59 9.367 -12.152 7.243 1.00 0.00 O ATOM 982 NE2 GLN A 59 8.106 -13.609 8.267 1.00 0.00 N ATOM 0 H GLN A 59 5.596 -10.177 6.232 1.00 0.00 H new ATOM 0 HA GLN A 59 5.032 -9.977 9.155 1.00 0.00 H new ATOM 0 HB2 GLN A 59 6.397 -12.093 9.052 1.00 0.00 H new ATOM 0 HB3 GLN A 59 5.076 -12.148 7.902 1.00 0.00 H new ATOM 0 HG2 GLN A 59 6.558 -12.393 6.187 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.293 -10.853 6.586 1.00 0.00 H new ATOM 0 HE21 GLN A 59 7.171 -13.944 8.499 1.00 0.00 H new ATOM 0 HE22 GLN A 59 8.926 -14.102 8.620 1.00 0.00 H new ATOM 991 N GLY A 60 7.656 -8.755 7.838 1.00 0.00 N ATOM 992 CA GLY A 60 8.911 -8.020 8.148 1.00 0.00 C ATOM 993 C GLY A 60 8.844 -6.631 7.513 1.00 0.00 C ATOM 994 O GLY A 60 9.181 -5.639 8.125 1.00 0.00 O ATOM 0 H GLY A 60 7.335 -8.672 6.873 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.041 -7.935 9.227 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.772 -8.568 7.766 1.00 0.00 H new ATOM 998 N TYR A 61 8.391 -6.555 6.289 1.00 0.00 N ATOM 999 CA TYR A 61 8.280 -5.229 5.614 1.00 0.00 C ATOM 1000 C TYR A 61 7.422 -4.288 6.453 1.00 0.00 C ATOM 1001 O TYR A 61 7.883 -3.719 7.422 1.00 0.00 O ATOM 1002 CB TYR A 61 7.617 -5.528 4.269 1.00 0.00 C ATOM 1003 CG TYR A 61 8.455 -6.527 3.507 1.00 0.00 C ATOM 1004 CD1 TYR A 61 9.732 -6.172 3.057 1.00 0.00 C ATOM 1005 CD2 TYR A 61 7.955 -7.809 3.252 1.00 0.00 C ATOM 1006 CE1 TYR A 61 10.509 -7.099 2.352 1.00 0.00 C ATOM 1007 CE2 TYR A 61 8.731 -8.737 2.547 1.00 0.00 C ATOM 1008 CZ TYR A 61 10.008 -8.381 2.096 1.00 0.00 C ATOM 1009 OH TYR A 61 10.773 -9.295 1.401 1.00 0.00 O ATOM 0 H TYR A 61 8.093 -7.353 5.728 1.00 0.00 H new ATOM 0 HA TYR A 61 9.245 -4.740 5.485 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.613 -5.923 4.426 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.511 -4.610 3.691 1.00 0.00 H new ATOM 0 HD1 TYR A 61 10.118 -5.183 3.254 1.00 0.00 H new ATOM 0 HD2 TYR A 61 6.970 -8.083 3.599 1.00 0.00 H new ATOM 0 HE1 TYR A 61 11.495 -6.825 2.006 1.00 0.00 H new ATOM 0 HE2 TYR A 61 8.345 -9.726 2.351 1.00 0.00 H new ATOM 0 HH TYR A 61 10.277 -10.135 1.311 1.00 0.00 H new ATOM 1019 N THR A 62 6.183 -4.113 6.102 1.00 0.00 N ATOM 1020 CA THR A 62 5.328 -3.205 6.899 1.00 0.00 C ATOM 1021 C THR A 62 4.725 -3.953 8.081 1.00 0.00 C ATOM 1022 O THR A 62 3.815 -3.475 8.731 1.00 0.00 O ATOM 1023 CB THR A 62 4.231 -2.740 5.954 1.00 0.00 C ATOM 1024 OG1 THR A 62 4.634 -2.958 4.611 1.00 0.00 O ATOM 1025 CG2 THR A 62 3.978 -1.254 6.178 1.00 0.00 C ATOM 0 H THR A 62 5.730 -4.557 5.303 1.00 0.00 H new ATOM 0 HA THR A 62 5.895 -2.366 7.302 1.00 0.00 H new ATOM 0 HB THR A 62 3.317 -3.302 6.148 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.078 -3.660 4.212 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.192 -0.913 5.504 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.667 -1.089 7.210 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.893 -0.695 5.981 1.00 0.00 H new ATOM 1033 N ALA A 63 5.222 -5.122 8.368 1.00 0.00 N ATOM 1034 CA ALA A 63 4.678 -5.899 9.514 1.00 0.00 C ATOM 1035 C ALA A 63 4.380 -4.959 10.681 1.00 0.00 C ATOM 1036 O ALA A 63 3.482 -5.187 11.468 1.00 0.00 O ATOM 1037 CB ALA A 63 5.789 -6.876 9.884 1.00 0.00 C ATOM 0 H ALA A 63 5.982 -5.573 7.858 1.00 0.00 H new ATOM 0 HA ALA A 63 3.748 -6.413 9.270 1.00 0.00 H new ATOM 0 HB1 ALA A 63 5.468 -7.490 10.725 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.010 -7.517 9.030 1.00 0.00 H new ATOM 0 HB3 ALA A 63 6.685 -6.320 10.162 1.00 0.00 H new ATOM 1043 N LEU A 64 5.123 -3.892 10.788 1.00 0.00 N ATOM 1044 CA LEU A 64 4.887 -2.919 11.889 1.00 0.00 C ATOM 1045 C LEU A 64 3.499 -2.286 11.740 1.00 0.00 C ATOM 1046 O LEU A 64 2.495 -2.969 11.739 1.00 0.00 O ATOM 1047 CB LEU A 64 5.983 -1.865 11.715 1.00 0.00 C ATOM 1048 CG LEU A 64 6.014 -1.399 10.259 1.00 0.00 C ATOM 1049 CD1 LEU A 64 6.024 0.128 10.209 1.00 0.00 C ATOM 1050 CD2 LEU A 64 7.278 -1.935 9.580 1.00 0.00 C ATOM 0 H LEU A 64 5.887 -3.652 10.156 1.00 0.00 H new ATOM 0 HA LEU A 64 4.919 -3.383 12.875 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.796 -1.018 12.375 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.951 -2.281 11.996 1.00 0.00 H new ATOM 0 HG LEU A 64 5.131 -1.774 9.741 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.046 0.458 9.170 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.127 0.514 10.693 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.906 0.503 10.728 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.302 -1.604 8.542 1.00 0.00 H new ATOM 0 HD22 LEU A 64 8.158 -1.559 10.101 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.275 -3.024 9.613 1.00 0.00 H new ATOM 1062 N LEU A 65 3.437 -0.988 11.610 1.00 0.00 N ATOM 1063 CA LEU A 65 2.118 -0.311 11.455 1.00 0.00 C ATOM 1064 C LEU A 65 1.077 -0.955 12.379 1.00 0.00 C ATOM 1065 O LEU A 65 -0.104 -0.956 12.096 1.00 0.00 O ATOM 1066 CB LEU A 65 1.749 -0.497 9.971 1.00 0.00 C ATOM 1067 CG LEU A 65 0.823 -1.711 9.790 1.00 0.00 C ATOM 1068 CD1 LEU A 65 -0.618 -1.230 9.611 1.00 0.00 C ATOM 1069 CD2 LEU A 65 1.253 -2.494 8.546 1.00 0.00 C ATOM 0 H LEU A 65 4.245 -0.366 11.605 1.00 0.00 H new ATOM 0 HA LEU A 65 2.153 0.744 11.727 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.257 0.401 9.598 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.655 -0.633 9.380 1.00 0.00 H new ATOM 0 HG LEU A 65 0.887 -2.353 10.669 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.275 -2.090 9.483 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.926 -0.667 10.492 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.681 -0.590 8.731 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.599 -3.356 8.414 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.186 -1.850 7.669 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.281 -2.834 8.668 1.00 0.00 H new ATOM 1081 N ASN A 66 1.509 -1.504 13.481 1.00 0.00 N ATOM 1082 CA ASN A 66 0.549 -2.148 14.421 1.00 0.00 C ATOM 1083 C ASN A 66 1.149 -2.217 15.828 1.00 0.00 C ATOM 1084 O ASN A 66 1.622 -3.280 16.198 1.00 0.00 O ATOM 1085 CB ASN A 66 0.335 -3.553 13.860 1.00 0.00 C ATOM 1086 CG ASN A 66 -1.088 -4.017 14.176 1.00 0.00 C ATOM 1087 OD1 ASN A 66 -1.281 -4.974 14.900 1.00 0.00 O ATOM 1088 ND2 ASN A 66 -2.100 -3.374 13.660 1.00 0.00 N ATOM 1089 OXT ASN A 66 1.127 -1.207 16.511 1.00 0.00 O ATOM 0 H ASN A 66 2.486 -1.534 13.771 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.385 -1.593 14.504 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.499 -3.555 12.782 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.059 -4.243 14.293 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -3.053 -3.675 13.864 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.938 -2.571 13.052 1.00 0.00 H new TER 1096 ASN A 66