USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 846 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 106 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 108 GLN : amide:sc= 0 X(o=0,f=0.5) USER MOD Set 2.1: A 20 HIS : no HD1:sc= -0.918 K(o=-0.92,f=-1.9!) USER MOD Set 2.2: A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc= -0.0376 (180deg=-0.288) USER MOD Single : A 4 MET CE :methyl -108:sc= -1.22 (180deg=-3.6!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot -27:sc= 0.308 USER MOD Single : A 23 SER OG : rot 29:sc= 0.874 USER MOD Single : A 24 MET CE :methyl -155:sc= -0.119 (180deg=-0.648) USER MOD Single : A 29 GLN : amide:sc= -1.39 K(o=-1.4,f=-4.1!) USER MOD Single : A 31 TYR OH : rot 167:sc= 0.459 USER MOD Single : A 32 MET CE :methyl -165:sc= -0.0426 (180deg=-0.339) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.128 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 45 GLN :FLIP amide:sc= -4.75! C(o=-6!,f=-4.7!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -142:sc= -1.07 (180deg=-3.1!) USER MOD Single : A 64 SER OG : rot -65:sc= 0.382 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 TYR OH : rot 180:sc= -0.11 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot -124:sc= 0.0292 USER MOD Single : A 82 SER OG : rot -89:sc= 0.279 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN :FLIP amide:sc= -0.741 F(o=-2.8!,f=-0.74) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot -73:sc= 0.976 USER MOD Single : A 102 LYS NZ :NH3+ 161:sc= 0.0239 (180deg=-0.473) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.598 14.831 -4.918 1.00 0.00 N ATOM 2 CA MET A 1 7.514 14.624 -6.069 1.00 0.00 C ATOM 3 C MET A 1 8.964 14.889 -5.674 1.00 0.00 C ATOM 4 O MET A 1 9.283 15.943 -5.117 1.00 0.00 O ATOM 5 CB MET A 1 7.097 15.561 -7.207 1.00 0.00 C ATOM 6 CG MET A 1 5.699 15.290 -7.743 1.00 0.00 C ATOM 7 SD MET A 1 5.237 16.412 -9.077 1.00 0.00 S ATOM 8 CE MET A 1 3.584 15.833 -9.450 1.00 0.00 C ATOM 0 H1 MET A 1 5.657 14.453 -5.151 1.00 0.00 H new ATOM 0 H2 MET A 1 6.973 14.337 -4.083 1.00 0.00 H new ATOM 0 H3 MET A 1 6.522 15.848 -4.714 1.00 0.00 H new ATOM 0 HA MET A 1 7.445 13.586 -6.395 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.148 16.591 -6.854 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.814 15.468 -8.023 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.645 14.262 -8.103 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.978 15.382 -6.930 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.163 16.431 -10.259 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.625 14.787 -9.755 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.957 15.928 -8.564 1.00 0.00 H new ATOM 20 N GLY A 2 9.832 13.921 -5.968 1.00 0.00 N ATOM 21 CA GLY A 2 11.245 14.048 -5.644 1.00 0.00 C ATOM 22 C GLY A 2 11.854 12.734 -5.182 1.00 0.00 C ATOM 23 O GLY A 2 11.121 11.776 -4.932 1.00 0.00 O ATOM 0 H GLY A 2 9.579 13.046 -6.428 1.00 0.00 H new ATOM 0 HA2 GLY A 2 11.785 14.407 -6.520 1.00 0.00 H new ATOM 0 HA3 GLY A 2 11.370 14.798 -4.863 1.00 0.00 H new ATOM 27 N PRO A 3 13.204 12.646 -5.066 1.00 0.00 N ATOM 28 CA PRO A 3 13.888 11.434 -4.640 1.00 0.00 C ATOM 29 C PRO A 3 14.086 11.361 -3.119 1.00 0.00 C ATOM 30 O PRO A 3 15.218 11.289 -2.628 1.00 0.00 O ATOM 31 CB PRO A 3 15.237 11.527 -5.370 1.00 0.00 C ATOM 32 CG PRO A 3 15.388 12.950 -5.821 1.00 0.00 C ATOM 33 CD PRO A 3 14.178 13.709 -5.353 1.00 0.00 C ATOM 0 HA PRO A 3 13.318 10.536 -4.877 1.00 0.00 H new ATOM 0 HB2 PRO A 3 16.055 11.242 -4.708 1.00 0.00 H new ATOM 0 HB3 PRO A 3 15.264 10.847 -6.221 1.00 0.00 H new ATOM 0 HG2 PRO A 3 16.297 13.387 -5.408 1.00 0.00 H new ATOM 0 HG3 PRO A 3 15.475 13.000 -6.906 1.00 0.00 H new ATOM 0 HD2 PRO A 3 14.395 14.306 -4.467 1.00 0.00 H new ATOM 0 HD3 PRO A 3 13.812 14.394 -6.118 1.00 0.00 H new ATOM 41 N MET A 4 12.973 11.370 -2.381 1.00 0.00 N ATOM 42 CA MET A 4 13.019 11.291 -0.920 1.00 0.00 C ATOM 43 C MET A 4 13.179 9.800 -0.482 1.00 0.00 C ATOM 44 O MET A 4 13.158 8.921 -1.347 1.00 0.00 O ATOM 45 CB MET A 4 11.786 12.019 -0.304 1.00 0.00 C ATOM 46 CG MET A 4 10.450 11.289 -0.367 1.00 0.00 C ATOM 47 SD MET A 4 9.697 11.318 -1.998 1.00 0.00 S ATOM 48 CE MET A 4 10.165 9.697 -2.557 1.00 0.00 C ATOM 0 H MET A 4 12.032 11.431 -2.770 1.00 0.00 H new ATOM 0 HA MET A 4 13.891 11.816 -0.529 1.00 0.00 H new ATOM 0 HB2 MET A 4 12.006 12.233 0.742 1.00 0.00 H new ATOM 0 HB3 MET A 4 11.672 12.979 -0.808 1.00 0.00 H new ATOM 0 HG2 MET A 4 10.596 10.253 -0.061 1.00 0.00 H new ATOM 0 HG3 MET A 4 9.764 11.740 0.350 1.00 0.00 H new ATOM 0 HE1 MET A 4 10.937 9.785 -3.321 1.00 0.00 H new ATOM 0 HE2 MET A 4 10.550 9.119 -1.717 1.00 0.00 H new ATOM 0 HE3 MET A 4 9.295 9.191 -2.976 1.00 0.00 H new ATOM 58 N PRO A 5 13.393 9.477 0.839 1.00 0.00 N ATOM 59 CA PRO A 5 13.608 8.085 1.303 1.00 0.00 C ATOM 60 C PRO A 5 12.461 7.117 1.010 1.00 0.00 C ATOM 61 O PRO A 5 11.310 7.522 0.824 1.00 0.00 O ATOM 62 CB PRO A 5 13.803 8.225 2.819 1.00 0.00 C ATOM 63 CG PRO A 5 13.246 9.556 3.165 1.00 0.00 C ATOM 64 CD PRO A 5 13.490 10.419 1.968 1.00 0.00 C ATOM 0 HA PRO A 5 14.453 7.648 0.771 1.00 0.00 H new ATOM 0 HB2 PRO A 5 13.286 7.430 3.357 1.00 0.00 H new ATOM 0 HB3 PRO A 5 14.857 8.158 3.088 1.00 0.00 H new ATOM 0 HG2 PRO A 5 12.181 9.489 3.389 1.00 0.00 H new ATOM 0 HG3 PRO A 5 13.733 9.966 4.050 1.00 0.00 H new ATOM 0 HD2 PRO A 5 12.750 11.216 1.890 1.00 0.00 H new ATOM 0 HD3 PRO A 5 14.469 10.896 2.010 1.00 0.00 H new ATOM 72 N LYS A 6 12.814 5.826 0.979 1.00 0.00 N ATOM 73 CA LYS A 6 11.870 4.739 0.719 1.00 0.00 C ATOM 74 C LYS A 6 11.261 4.224 2.023 1.00 0.00 C ATOM 75 O LYS A 6 11.597 4.711 3.106 1.00 0.00 O ATOM 76 CB LYS A 6 12.589 3.586 0.006 1.00 0.00 C ATOM 77 CG LYS A 6 13.320 4.000 -1.266 1.00 0.00 C ATOM 78 CD LYS A 6 14.064 2.832 -1.909 1.00 0.00 C ATOM 79 CE LYS A 6 15.304 2.432 -1.118 1.00 0.00 C ATOM 80 NZ LYS A 6 16.026 1.294 -1.750 1.00 0.00 N ATOM 0 H LYS A 6 13.770 5.507 1.135 1.00 0.00 H new ATOM 0 HA LYS A 6 11.071 5.125 0.086 1.00 0.00 H new ATOM 0 HB2 LYS A 6 13.305 3.138 0.694 1.00 0.00 H new ATOM 0 HB3 LYS A 6 11.859 2.815 -0.242 1.00 0.00 H new ATOM 0 HG2 LYS A 6 12.603 4.409 -1.978 1.00 0.00 H new ATOM 0 HG3 LYS A 6 14.028 4.796 -1.034 1.00 0.00 H new ATOM 0 HD2 LYS A 6 13.394 1.976 -1.988 1.00 0.00 H new ATOM 0 HD3 LYS A 6 14.355 3.103 -2.924 1.00 0.00 H new ATOM 0 HE2 LYS A 6 15.975 3.287 -1.038 1.00 0.00 H new ATOM 0 HE3 LYS A 6 15.014 2.159 -0.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 16.862 1.054 -1.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 15.395 0.469 -1.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 16.326 1.563 -2.709 1.00 0.00 H new ATOM 94 N LEU A 7 10.383 3.225 1.907 1.00 0.00 N ATOM 95 CA LEU A 7 9.739 2.622 3.072 1.00 0.00 C ATOM 96 C LEU A 7 10.271 1.214 3.290 1.00 0.00 C ATOM 97 O LEU A 7 10.595 0.830 4.412 1.00 0.00 O ATOM 98 CB LEU A 7 8.201 2.559 2.916 1.00 0.00 C ATOM 99 CG LEU A 7 7.434 3.896 2.806 1.00 0.00 C ATOM 100 CD1 LEU A 7 7.850 4.880 3.897 1.00 0.00 C ATOM 101 CD2 LEU A 7 7.596 4.510 1.424 1.00 0.00 C ATOM 0 H LEU A 7 10.103 2.817 1.015 1.00 0.00 H new ATOM 0 HA LEU A 7 9.971 3.252 3.931 1.00 0.00 H new ATOM 0 HB2 LEU A 7 7.978 1.971 2.026 1.00 0.00 H new ATOM 0 HB3 LEU A 7 7.800 2.012 3.769 1.00 0.00 H new ATOM 0 HG LEU A 7 6.377 3.675 2.955 1.00 0.00 H new ATOM 0 HD11 LEU A 7 7.288 5.807 3.784 1.00 0.00 H new ATOM 0 HD12 LEU A 7 7.643 4.447 4.876 1.00 0.00 H new ATOM 0 HD13 LEU A 7 8.916 5.089 3.811 1.00 0.00 H new ATOM 0 HD21 LEU A 7 7.045 5.450 1.376 1.00 0.00 H new ATOM 0 HD22 LEU A 7 8.652 4.698 1.231 1.00 0.00 H new ATOM 0 HD23 LEU A 7 7.207 3.823 0.673 1.00 0.00 H new ATOM 113 N ALA A 8 10.352 0.450 2.199 1.00 0.00 N ATOM 114 CA ALA A 8 10.835 -0.930 2.250 1.00 0.00 C ATOM 115 C ALA A 8 11.805 -1.219 1.104 1.00 0.00 C ATOM 116 O ALA A 8 12.211 -0.303 0.383 1.00 0.00 O ATOM 117 CB ALA A 8 9.654 -1.892 2.210 1.00 0.00 C ATOM 0 H ALA A 8 10.088 0.766 1.266 1.00 0.00 H new ATOM 0 HA ALA A 8 11.378 -1.072 3.185 1.00 0.00 H new ATOM 0 HB1 ALA A 8 10.019 -2.918 2.248 1.00 0.00 H new ATOM 0 HB2 ALA A 8 9.004 -1.706 3.065 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.093 -1.741 1.288 1.00 0.00 H new ATOM 123 N ASP A 9 12.176 -2.496 0.942 1.00 0.00 N ATOM 124 CA ASP A 9 13.101 -2.903 -0.117 1.00 0.00 C ATOM 125 C ASP A 9 12.507 -3.995 -1.013 1.00 0.00 C ATOM 126 O ASP A 9 12.892 -4.118 -2.179 1.00 0.00 O ATOM 127 CB ASP A 9 14.446 -3.363 0.479 1.00 0.00 C ATOM 128 CG ASP A 9 14.333 -4.473 1.525 1.00 0.00 C ATOM 129 OD1 ASP A 9 13.205 -4.909 1.844 1.00 0.00 O ATOM 130 OD2 ASP A 9 15.391 -4.902 2.034 1.00 0.00 O ATOM 0 H ASP A 9 11.849 -3.262 1.531 1.00 0.00 H new ATOM 0 HA ASP A 9 13.276 -2.029 -0.744 1.00 0.00 H new ATOM 0 HB2 ASP A 9 15.088 -3.709 -0.331 1.00 0.00 H new ATOM 0 HB3 ASP A 9 14.940 -2.504 0.932 1.00 0.00 H new ATOM 135 N ARG A 10 11.573 -4.786 -0.469 1.00 0.00 N ATOM 136 CA ARG A 10 10.931 -5.864 -1.234 1.00 0.00 C ATOM 137 C ARG A 10 9.419 -5.882 -1.002 1.00 0.00 C ATOM 138 O ARG A 10 8.924 -5.371 0.011 1.00 0.00 O ATOM 139 CB ARG A 10 11.527 -7.229 -0.876 1.00 0.00 C ATOM 140 CG ARG A 10 12.994 -7.388 -1.240 1.00 0.00 C ATOM 141 CD ARG A 10 13.509 -8.769 -0.861 1.00 0.00 C ATOM 142 NE ARG A 10 14.940 -8.933 -1.139 1.00 0.00 N ATOM 143 CZ ARG A 10 15.928 -8.349 -0.447 1.00 0.00 C ATOM 144 NH1 ARG A 10 15.666 -7.581 0.608 1.00 0.00 N ATOM 145 NH2 ARG A 10 17.189 -8.547 -0.808 1.00 0.00 N ATOM 0 H ARG A 10 11.246 -4.701 0.493 1.00 0.00 H new ATOM 0 HA ARG A 10 11.120 -5.667 -2.289 1.00 0.00 H new ATOM 0 HB2 ARG A 10 11.411 -7.393 0.195 1.00 0.00 H new ATOM 0 HB3 ARG A 10 10.953 -8.006 -1.381 1.00 0.00 H new ATOM 0 HG2 ARG A 10 13.125 -7.229 -2.310 1.00 0.00 H new ATOM 0 HG3 ARG A 10 13.583 -6.625 -0.730 1.00 0.00 H new ATOM 0 HD2 ARG A 10 13.326 -8.942 0.200 1.00 0.00 H new ATOM 0 HD3 ARG A 10 12.947 -9.525 -1.409 1.00 0.00 H new ATOM 0 HE ARG A 10 15.203 -9.537 -1.918 1.00 0.00 H new ATOM 0 HH11 ARG A 10 14.701 -7.429 0.901 1.00 0.00 H new ATOM 0 HH12 ARG A 10 16.430 -7.144 1.123 1.00 0.00 H new ATOM 0 HH21 ARG A 10 17.403 -9.141 -1.609 1.00 0.00 H new ATOM 0 HH22 ARG A 10 17.945 -8.105 -0.285 1.00 0.00 H new ATOM 159 N LYS A 11 8.698 -6.461 -1.964 1.00 0.00 N ATOM 160 CA LYS A 11 7.239 -6.544 -1.917 1.00 0.00 C ATOM 161 C LYS A 11 6.737 -7.925 -2.359 1.00 0.00 C ATOM 162 O LYS A 11 7.526 -8.781 -2.757 1.00 0.00 O ATOM 163 CB LYS A 11 6.659 -5.455 -2.826 1.00 0.00 C ATOM 164 CG LYS A 11 7.206 -5.515 -4.247 1.00 0.00 C ATOM 165 CD LYS A 11 7.033 -4.201 -4.977 1.00 0.00 C ATOM 166 CE LYS A 11 7.706 -4.237 -6.338 1.00 0.00 C ATOM 167 NZ LYS A 11 7.535 -2.957 -7.079 1.00 0.00 N ATOM 0 H LYS A 11 9.109 -6.885 -2.796 1.00 0.00 H new ATOM 0 HA LYS A 11 6.910 -6.395 -0.889 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.574 -5.553 -2.855 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.879 -4.477 -2.398 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.264 -5.777 -4.218 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.697 -6.306 -4.798 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.971 -3.987 -5.099 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.455 -3.392 -4.381 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.769 -4.443 -6.212 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.290 -5.055 -6.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.009 -3.024 -8.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.522 -2.772 -7.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.954 -2.179 -6.530 1.00 0.00 H new ATOM 181 N LEU A 12 5.413 -8.117 -2.298 1.00 0.00 N ATOM 182 CA LEU A 12 4.783 -9.375 -2.704 1.00 0.00 C ATOM 183 C LEU A 12 3.822 -9.137 -3.862 1.00 0.00 C ATOM 184 O LEU A 12 2.794 -8.480 -3.694 1.00 0.00 O ATOM 185 CB LEU A 12 4.005 -10.039 -1.542 1.00 0.00 C ATOM 186 CG LEU A 12 4.815 -10.811 -0.476 1.00 0.00 C ATOM 187 CD1 LEU A 12 5.721 -11.860 -1.114 1.00 0.00 C ATOM 188 CD2 LEU A 12 5.621 -9.865 0.396 1.00 0.00 C ATOM 0 H LEU A 12 4.755 -7.410 -1.969 1.00 0.00 H new ATOM 0 HA LEU A 12 5.586 -10.045 -3.010 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.438 -9.261 -1.032 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.281 -10.729 -1.976 1.00 0.00 H new ATOM 0 HG LEU A 12 4.099 -11.330 0.161 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.276 -12.384 -0.335 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.115 -12.575 -1.671 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.421 -11.372 -1.792 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.180 -10.439 1.136 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.316 -9.300 -0.226 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.947 -9.176 0.905 1.00 0.00 H new ATOM 200 N CYS A 13 4.165 -9.685 -5.027 1.00 0.00 N ATOM 201 CA CYS A 13 3.342 -9.558 -6.228 1.00 0.00 C ATOM 202 C CYS A 13 2.853 -10.932 -6.682 1.00 0.00 C ATOM 203 O CYS A 13 3.236 -11.952 -6.106 1.00 0.00 O ATOM 204 CB CYS A 13 4.141 -8.908 -7.362 1.00 0.00 C ATOM 205 SG CYS A 13 4.772 -7.240 -6.997 1.00 0.00 S ATOM 0 H CYS A 13 5.018 -10.227 -5.164 1.00 0.00 H new ATOM 0 HA CYS A 13 2.486 -8.928 -5.986 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.984 -9.553 -7.609 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.509 -8.856 -8.248 1.00 0.00 H new ATOM 210 N ALA A 14 2.024 -10.948 -7.728 1.00 0.00 N ATOM 211 CA ALA A 14 1.501 -12.198 -8.275 1.00 0.00 C ATOM 212 C ALA A 14 2.508 -12.815 -9.241 1.00 0.00 C ATOM 213 O ALA A 14 2.496 -14.026 -9.478 1.00 0.00 O ATOM 214 CB ALA A 14 0.168 -11.959 -8.967 1.00 0.00 C ATOM 0 H ALA A 14 1.702 -10.110 -8.211 1.00 0.00 H new ATOM 0 HA ALA A 14 1.338 -12.897 -7.455 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.207 -12.900 -9.369 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.548 -11.560 -8.249 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.303 -11.246 -9.780 1.00 0.00 H new ATOM 220 N ASP A 15 3.385 -11.965 -9.782 1.00 0.00 N ATOM 221 CA ASP A 15 4.426 -12.394 -10.714 1.00 0.00 C ATOM 222 C ASP A 15 5.648 -11.486 -10.599 1.00 0.00 C ATOM 223 O ASP A 15 5.612 -10.475 -9.895 1.00 0.00 O ATOM 224 CB ASP A 15 3.902 -12.418 -12.157 1.00 0.00 C ATOM 225 CG ASP A 15 3.407 -11.066 -12.643 1.00 0.00 C ATOM 226 OD1 ASP A 15 2.553 -10.459 -11.966 1.00 0.00 O ATOM 227 OD2 ASP A 15 3.866 -10.624 -13.714 1.00 0.00 O ATOM 0 H ASP A 15 3.392 -10.964 -9.586 1.00 0.00 H new ATOM 0 HA ASP A 15 4.721 -13.410 -10.450 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.696 -12.765 -12.818 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.089 -13.141 -12.228 1.00 0.00 H new ATOM 232 N GLN A 16 6.728 -11.867 -11.281 1.00 0.00 N ATOM 233 CA GLN A 16 7.986 -11.106 -11.247 1.00 0.00 C ATOM 234 C GLN A 16 7.864 -9.719 -11.893 1.00 0.00 C ATOM 235 O GLN A 16 8.708 -8.851 -11.660 1.00 0.00 O ATOM 236 CB GLN A 16 9.109 -11.906 -11.912 1.00 0.00 C ATOM 237 CG GLN A 16 8.843 -12.230 -13.367 1.00 0.00 C ATOM 238 CD GLN A 16 9.987 -12.977 -14.021 1.00 0.00 C ATOM 239 OE1 GLN A 16 10.293 -14.113 -13.659 1.00 0.00 O ATOM 240 NE2 GLN A 16 10.634 -12.335 -14.986 1.00 0.00 N ATOM 0 H GLN A 16 6.761 -12.701 -11.867 1.00 0.00 H new ATOM 0 HA GLN A 16 8.227 -10.943 -10.197 1.00 0.00 H new ATOM 0 HB2 GLN A 16 10.039 -11.342 -11.838 1.00 0.00 H new ATOM 0 HB3 GLN A 16 9.256 -12.836 -11.362 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.935 -12.828 -13.441 1.00 0.00 H new ATOM 0 HG3 GLN A 16 8.660 -11.304 -13.913 1.00 0.00 H new ATOM 0 HE21 GLN A 16 10.346 -11.394 -15.254 1.00 0.00 H new ATOM 0 HE22 GLN A 16 11.419 -12.783 -15.459 1.00 0.00 H new ATOM 249 N GLU A 17 6.821 -9.518 -12.700 1.00 0.00 N ATOM 250 CA GLU A 17 6.602 -8.235 -13.373 1.00 0.00 C ATOM 251 C GLU A 17 5.714 -7.309 -12.549 1.00 0.00 C ATOM 252 O GLU A 17 5.641 -6.110 -12.840 1.00 0.00 O ATOM 253 CB GLU A 17 5.962 -8.453 -14.752 1.00 0.00 C ATOM 254 CG GLU A 17 6.870 -9.148 -15.760 1.00 0.00 C ATOM 255 CD GLU A 17 8.097 -8.327 -16.121 1.00 0.00 C ATOM 256 OE1 GLU A 17 7.929 -7.211 -16.656 1.00 0.00 O ATOM 257 OE2 GLU A 17 9.223 -8.802 -15.868 1.00 0.00 O ATOM 0 H GLU A 17 6.115 -10.226 -12.904 1.00 0.00 H new ATOM 0 HA GLU A 17 7.578 -7.764 -13.490 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.055 -9.044 -14.629 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.661 -7.487 -15.157 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.189 -10.107 -15.352 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.302 -9.360 -16.666 1.00 0.00 H new ATOM 264 N CYS A 18 5.019 -7.878 -11.542 1.00 0.00 N ATOM 265 CA CYS A 18 4.095 -7.118 -10.680 1.00 0.00 C ATOM 266 C CYS A 18 3.027 -6.424 -11.534 1.00 0.00 C ATOM 267 O CYS A 18 2.504 -5.364 -11.176 1.00 0.00 O ATOM 268 CB CYS A 18 4.844 -6.092 -9.811 1.00 0.00 C ATOM 269 SG CYS A 18 5.972 -6.829 -8.586 1.00 0.00 S ATOM 0 H CYS A 18 5.083 -8.868 -11.306 1.00 0.00 H new ATOM 0 HA CYS A 18 3.608 -7.823 -10.006 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.415 -5.430 -10.462 1.00 0.00 H new ATOM 0 HB3 CYS A 18 4.114 -5.473 -9.289 1.00 0.00 H new ATOM 274 N SER A 19 2.732 -7.044 -12.678 1.00 0.00 N ATOM 275 CA SER A 19 1.755 -6.530 -13.628 1.00 0.00 C ATOM 276 C SER A 19 0.375 -7.155 -13.404 1.00 0.00 C ATOM 277 O SER A 19 -0.616 -6.731 -14.006 1.00 0.00 O ATOM 278 CB SER A 19 2.255 -6.793 -15.048 1.00 0.00 C ATOM 279 OG SER A 19 1.301 -6.404 -16.021 1.00 0.00 O ATOM 0 H SER A 19 3.168 -7.919 -12.969 1.00 0.00 H new ATOM 0 HA SER A 19 1.644 -5.456 -13.478 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.185 -6.249 -15.213 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.481 -7.853 -15.164 1.00 0.00 H new ATOM 0 HG SER A 19 0.401 -6.453 -15.635 1.00 0.00 H new ATOM 285 N HIS A 20 0.320 -8.158 -12.523 1.00 0.00 N ATOM 286 CA HIS A 20 -0.931 -8.843 -12.198 1.00 0.00 C ATOM 287 C HIS A 20 -1.516 -8.343 -10.869 1.00 0.00 C ATOM 288 O HIS A 20 -0.760 -7.980 -9.965 1.00 0.00 O ATOM 289 CB HIS A 20 -0.706 -10.354 -12.108 1.00 0.00 C ATOM 290 CG HIS A 20 -0.878 -11.111 -13.394 1.00 0.00 C ATOM 291 ND1 HIS A 20 -0.898 -12.484 -13.429 1.00 0.00 N ATOM 292 CD2 HIS A 20 -1.065 -10.702 -14.676 1.00 0.00 C ATOM 293 CE1 HIS A 20 -1.096 -12.893 -14.663 1.00 0.00 C ATOM 294 NE2 HIS A 20 -1.199 -11.833 -15.444 1.00 0.00 N ATOM 0 H HIS A 20 1.133 -8.514 -12.020 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.638 -8.623 -12.997 1.00 0.00 H new ATOM 0 HB2 HIS A 20 0.302 -10.532 -11.734 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.396 -10.763 -11.371 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.101 -9.681 -15.025 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -1.163 -13.922 -14.984 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -1.353 -11.851 -16.452 1.00 0.00 H new ATOM 303 N PRO A 21 -2.872 -8.325 -10.717 1.00 0.00 N ATOM 304 CA PRO A 21 -3.524 -7.880 -9.493 1.00 0.00 C ATOM 305 C PRO A 21 -3.823 -9.038 -8.539 1.00 0.00 C ATOM 306 O PRO A 21 -4.387 -10.061 -8.941 1.00 0.00 O ATOM 307 CB PRO A 21 -4.819 -7.254 -10.018 1.00 0.00 C ATOM 308 CG PRO A 21 -5.098 -7.915 -11.340 1.00 0.00 C ATOM 309 CD PRO A 21 -3.886 -8.740 -11.707 1.00 0.00 C ATOM 0 HA PRO A 21 -2.905 -7.198 -8.909 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.641 -7.416 -9.320 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -4.710 -6.176 -10.137 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.984 -8.546 -11.272 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.298 -7.167 -12.107 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.094 -9.808 -11.644 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.557 -8.538 -12.727 1.00 0.00 H new ATOM 317 N ILE A 22 -3.434 -8.877 -7.275 1.00 0.00 N ATOM 318 CA ILE A 22 -3.657 -9.916 -6.276 1.00 0.00 C ATOM 319 C ILE A 22 -5.124 -9.973 -5.859 1.00 0.00 C ATOM 320 O ILE A 22 -5.778 -10.991 -6.056 1.00 0.00 O ATOM 321 CB ILE A 22 -2.769 -9.721 -5.021 1.00 0.00 C ATOM 322 CG1 ILE A 22 -1.290 -9.616 -5.431 1.00 0.00 C ATOM 323 CG2 ILE A 22 -2.977 -10.880 -4.037 1.00 0.00 C ATOM 324 CD1 ILE A 22 -0.371 -9.144 -4.321 1.00 0.00 C ATOM 0 H ILE A 22 -2.966 -8.042 -6.922 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.380 -10.860 -6.745 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.057 -8.794 -4.525 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.951 -10.592 -5.779 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.206 -8.930 -6.274 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.347 -10.730 -3.160 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.023 -10.914 -3.731 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.709 -11.820 -4.520 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.653 -9.097 -4.692 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.682 -8.154 -3.988 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.423 -9.841 -3.485 1.00 0.00 H new ATOM 336 N SER A 23 -5.627 -8.887 -5.270 1.00 0.00 N ATOM 337 CA SER A 23 -7.015 -8.847 -4.814 1.00 0.00 C ATOM 338 C SER A 23 -7.668 -7.498 -5.093 1.00 0.00 C ATOM 339 O SER A 23 -7.021 -6.451 -5.020 1.00 0.00 O ATOM 340 CB SER A 23 -7.080 -9.155 -3.317 1.00 0.00 C ATOM 341 OG SER A 23 -8.416 -9.141 -2.846 1.00 0.00 O ATOM 0 H SER A 23 -5.099 -8.031 -5.099 1.00 0.00 H new ATOM 0 HA SER A 23 -7.567 -9.604 -5.372 1.00 0.00 H new ATOM 0 HB2 SER A 23 -6.635 -10.131 -3.125 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.490 -8.422 -2.767 1.00 0.00 H new ATOM 0 HG SER A 23 -9.022 -9.392 -3.574 1.00 0.00 H new ATOM 347 N MET A 24 -8.968 -7.545 -5.389 1.00 0.00 N ATOM 348 CA MET A 24 -9.756 -6.349 -5.658 1.00 0.00 C ATOM 349 C MET A 24 -10.416 -5.900 -4.359 1.00 0.00 C ATOM 350 O MET A 24 -11.073 -6.700 -3.688 1.00 0.00 O ATOM 351 CB MET A 24 -10.801 -6.648 -6.736 1.00 0.00 C ATOM 352 CG MET A 24 -11.518 -5.413 -7.260 1.00 0.00 C ATOM 353 SD MET A 24 -13.025 -5.016 -6.346 1.00 0.00 S ATOM 354 CE MET A 24 -14.071 -6.405 -6.782 1.00 0.00 C ATOM 0 H MET A 24 -9.500 -8.413 -5.448 1.00 0.00 H new ATOM 0 HA MET A 24 -9.117 -5.547 -6.028 1.00 0.00 H new ATOM 0 HB2 MET A 24 -10.314 -7.154 -7.570 1.00 0.00 H new ATOM 0 HB3 MET A 24 -11.539 -7.340 -6.330 1.00 0.00 H new ATOM 0 HG2 MET A 24 -10.839 -4.561 -7.214 1.00 0.00 H new ATOM 0 HG3 MET A 24 -11.768 -5.565 -8.310 1.00 0.00 H new ATOM 0 HE1 MET A 24 -15.118 -6.116 -6.689 1.00 0.00 H new ATOM 0 HE2 MET A 24 -13.868 -6.705 -7.810 1.00 0.00 H new ATOM 0 HE3 MET A 24 -13.864 -7.240 -6.113 1.00 0.00 H new ATOM 364 N ALA A 25 -10.209 -4.638 -3.988 1.00 0.00 N ATOM 365 CA ALA A 25 -10.761 -4.121 -2.740 1.00 0.00 C ATOM 366 C ALA A 25 -11.566 -2.841 -2.919 1.00 0.00 C ATOM 367 O ALA A 25 -11.296 -2.032 -3.811 1.00 0.00 O ATOM 368 CB ALA A 25 -9.639 -3.876 -1.751 1.00 0.00 C ATOM 0 H ALA A 25 -9.669 -3.962 -4.528 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.450 -4.878 -2.366 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.053 -3.490 -0.820 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.116 -4.812 -1.555 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.940 -3.150 -2.166 1.00 0.00 H new ATOM 374 N VAL A 26 -12.547 -2.671 -2.029 1.00 0.00 N ATOM 375 CA VAL A 26 -13.413 -1.485 -2.030 1.00 0.00 C ATOM 376 C VAL A 26 -12.982 -0.513 -0.918 1.00 0.00 C ATOM 377 O VAL A 26 -12.714 -0.937 0.208 1.00 0.00 O ATOM 378 CB VAL A 26 -14.903 -1.874 -1.837 1.00 0.00 C ATOM 379 CG1 VAL A 26 -15.810 -0.652 -1.942 1.00 0.00 C ATOM 380 CG2 VAL A 26 -15.319 -2.927 -2.855 1.00 0.00 C ATOM 0 H VAL A 26 -12.764 -3.343 -1.293 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.310 -0.997 -2.999 1.00 0.00 H new ATOM 0 HB VAL A 26 -15.010 -2.292 -0.836 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -16.847 -0.956 -1.803 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -15.537 0.071 -1.173 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -15.694 -0.197 -2.925 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -16.367 -3.186 -2.703 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -15.185 -2.532 -3.862 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -14.703 -3.818 -2.730 1.00 0.00 H new ATOM 390 N ALA A 27 -12.911 0.785 -1.247 1.00 0.00 N ATOM 391 CA ALA A 27 -12.504 1.818 -0.282 1.00 0.00 C ATOM 392 C ALA A 27 -13.628 2.163 0.694 1.00 0.00 C ATOM 393 O ALA A 27 -14.763 2.419 0.280 1.00 0.00 O ATOM 394 CB ALA A 27 -12.047 3.067 -1.010 1.00 0.00 C ATOM 0 H ALA A 27 -13.131 1.145 -2.176 1.00 0.00 H new ATOM 0 HA ALA A 27 -11.675 1.413 0.298 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.749 3.823 -0.284 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -11.199 2.825 -1.651 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -12.864 3.452 -1.620 1.00 0.00 H new ATOM 400 N LEU A 28 -13.296 2.161 1.992 1.00 0.00 N ATOM 401 CA LEU A 28 -14.269 2.458 3.050 1.00 0.00 C ATOM 402 C LEU A 28 -14.323 3.945 3.400 1.00 0.00 C ATOM 403 O LEU A 28 -15.353 4.424 3.878 1.00 0.00 O ATOM 404 CB LEU A 28 -13.959 1.662 4.338 1.00 0.00 C ATOM 405 CG LEU A 28 -14.071 0.120 4.277 1.00 0.00 C ATOM 406 CD1 LEU A 28 -15.398 -0.328 3.670 1.00 0.00 C ATOM 407 CD2 LEU A 28 -12.894 -0.489 3.530 1.00 0.00 C ATOM 0 H LEU A 28 -12.357 1.956 2.335 1.00 0.00 H new ATOM 0 HA LEU A 28 -15.238 2.159 2.650 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.945 1.912 4.651 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -14.630 2.016 5.120 1.00 0.00 H new ATOM 0 HG LEU A 28 -14.043 -0.246 5.303 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -15.437 -1.417 3.645 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -16.221 0.051 4.275 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -15.484 0.062 2.656 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -13.001 -1.573 3.504 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.870 -0.102 2.511 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -11.966 -0.228 4.039 1.00 0.00 H new ATOM 419 N GLN A 29 -13.215 4.667 3.193 1.00 0.00 N ATOM 420 CA GLN A 29 -13.168 6.096 3.525 1.00 0.00 C ATOM 421 C GLN A 29 -12.256 6.892 2.589 1.00 0.00 C ATOM 422 O GLN A 29 -11.604 6.330 1.705 1.00 0.00 O ATOM 423 CB GLN A 29 -12.718 6.291 4.979 1.00 0.00 C ATOM 424 CG GLN A 29 -11.377 5.641 5.308 1.00 0.00 C ATOM 425 CD GLN A 29 -10.850 5.976 6.704 1.00 0.00 C ATOM 426 OE1 GLN A 29 -9.845 5.413 7.139 1.00 0.00 O ATOM 427 NE2 GLN A 29 -11.505 6.900 7.413 1.00 0.00 N ATOM 0 H GLN A 29 -12.350 4.292 2.803 1.00 0.00 H new ATOM 0 HA GLN A 29 -14.180 6.481 3.396 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.653 7.359 5.188 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.480 5.882 5.642 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.477 4.559 5.219 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -10.641 5.955 4.568 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -12.335 7.348 7.024 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -11.175 7.157 8.343 1.00 0.00 H new ATOM 436 N ASP A 30 -12.226 8.214 2.808 1.00 0.00 N ATOM 437 CA ASP A 30 -11.410 9.134 2.011 1.00 0.00 C ATOM 438 C ASP A 30 -9.946 9.103 2.451 1.00 0.00 C ATOM 439 O ASP A 30 -9.643 8.844 3.618 1.00 0.00 O ATOM 440 CB ASP A 30 -11.949 10.562 2.142 1.00 0.00 C ATOM 441 CG ASP A 30 -13.373 10.704 1.640 1.00 0.00 C ATOM 442 OD1 ASP A 30 -13.597 10.518 0.427 1.00 0.00 O ATOM 443 OD2 ASP A 30 -14.264 11.002 2.464 1.00 0.00 O ATOM 0 H ASP A 30 -12.766 8.673 3.542 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.465 8.812 0.971 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.906 10.867 3.188 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.303 11.241 1.585 1.00 0.00 H new ATOM 448 N TYR A 31 -9.049 9.382 1.501 1.00 0.00 N ATOM 449 CA TYR A 31 -7.610 9.405 1.759 1.00 0.00 C ATOM 450 C TYR A 31 -6.914 10.377 0.809 1.00 0.00 C ATOM 451 O TYR A 31 -7.198 10.383 -0.391 1.00 0.00 O ATOM 452 CB TYR A 31 -6.997 8.006 1.586 1.00 0.00 C ATOM 453 CG TYR A 31 -5.635 7.858 2.241 1.00 0.00 C ATOM 454 CD1 TYR A 31 -5.513 7.755 3.625 1.00 0.00 C ATOM 455 CD2 TYR A 31 -4.475 7.826 1.477 1.00 0.00 C ATOM 456 CE1 TYR A 31 -4.275 7.626 4.223 1.00 0.00 C ATOM 457 CE2 TYR A 31 -3.233 7.699 2.070 1.00 0.00 C ATOM 458 CZ TYR A 31 -3.139 7.599 3.444 1.00 0.00 C ATOM 459 OH TYR A 31 -1.905 7.474 4.039 1.00 0.00 O ATOM 0 H TYR A 31 -9.300 9.597 0.536 1.00 0.00 H new ATOM 0 HA TYR A 31 -7.464 9.732 2.788 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -7.677 7.265 2.007 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -6.906 7.787 0.522 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -6.401 7.776 4.240 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -4.545 7.902 0.402 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -4.198 7.547 5.297 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -2.341 7.678 1.462 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.233 7.265 3.357 1.00 0.00 H new ATOM 469 N MET A 32 -5.993 11.180 1.347 1.00 0.00 N ATOM 470 CA MET A 32 -5.241 12.145 0.543 1.00 0.00 C ATOM 471 C MET A 32 -3.754 11.791 0.526 1.00 0.00 C ATOM 472 O MET A 32 -3.184 11.425 1.556 1.00 0.00 O ATOM 473 CB MET A 32 -5.440 13.563 1.080 1.00 0.00 C ATOM 474 CG MET A 32 -6.882 14.051 1.006 1.00 0.00 C ATOM 475 SD MET A 32 -7.501 14.221 -0.683 1.00 0.00 S ATOM 476 CE MET A 32 -6.489 15.566 -1.300 1.00 0.00 C ATOM 0 H MET A 32 -5.750 11.181 2.338 1.00 0.00 H new ATOM 0 HA MET A 32 -5.619 12.103 -0.479 1.00 0.00 H new ATOM 0 HB2 MET A 32 -5.107 13.599 2.117 1.00 0.00 H new ATOM 0 HB3 MET A 32 -4.805 14.247 0.517 1.00 0.00 H new ATOM 0 HG2 MET A 32 -7.521 13.355 1.550 1.00 0.00 H new ATOM 0 HG3 MET A 32 -6.957 15.014 1.511 1.00 0.00 H new ATOM 0 HE1 MET A 32 -6.926 15.958 -2.218 1.00 0.00 H new ATOM 0 HE2 MET A 32 -6.442 16.358 -0.553 1.00 0.00 H new ATOM 0 HE3 MET A 32 -5.483 15.200 -1.504 1.00 0.00 H new ATOM 486 N ALA A 33 -3.143 11.891 -0.656 1.00 0.00 N ATOM 487 CA ALA A 33 -1.726 11.570 -0.831 1.00 0.00 C ATOM 488 C ALA A 33 -0.829 12.810 -0.720 1.00 0.00 C ATOM 489 O ALA A 33 -0.956 13.733 -1.529 1.00 0.00 O ATOM 490 CB ALA A 33 -1.513 10.909 -2.180 1.00 0.00 C ATOM 0 H ALA A 33 -3.611 12.194 -1.510 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.446 10.888 -0.028 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.457 10.672 -2.306 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.100 9.992 -2.232 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.829 11.588 -2.972 1.00 0.00 H new ATOM 496 N PRO A 34 0.106 12.854 0.271 1.00 0.00 N ATOM 497 CA PRO A 34 1.017 13.987 0.443 1.00 0.00 C ATOM 498 C PRO A 34 2.127 13.980 -0.613 1.00 0.00 C ATOM 499 O PRO A 34 2.171 14.857 -1.480 1.00 0.00 O ATOM 500 CB PRO A 34 1.604 13.787 1.853 1.00 0.00 C ATOM 501 CG PRO A 34 0.850 12.646 2.450 1.00 0.00 C ATOM 502 CD PRO A 34 0.368 11.824 1.294 1.00 0.00 C ATOM 0 HA PRO A 34 0.508 14.944 0.329 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.671 13.568 1.805 1.00 0.00 H new ATOM 0 HB3 PRO A 34 1.490 14.688 2.455 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.489 12.057 3.109 1.00 0.00 H new ATOM 0 HG3 PRO A 34 0.014 13.002 3.052 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.117 11.104 0.965 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.530 11.258 1.542 1.00 0.00 H new ATOM 510 N ASP A 35 3.015 12.979 -0.537 1.00 0.00 N ATOM 511 CA ASP A 35 4.118 12.848 -1.491 1.00 0.00 C ATOM 512 C ASP A 35 3.718 11.935 -2.660 1.00 0.00 C ATOM 513 O ASP A 35 2.659 11.296 -2.625 1.00 0.00 O ATOM 514 CB ASP A 35 5.392 12.360 -0.778 1.00 0.00 C ATOM 515 CG ASP A 35 5.598 10.863 -0.837 1.00 0.00 C ATOM 516 OD1 ASP A 35 4.688 10.115 -0.437 1.00 0.00 O ATOM 517 OD2 ASP A 35 6.679 10.444 -1.291 1.00 0.00 O ATOM 0 H ASP A 35 2.989 12.250 0.176 1.00 0.00 H new ATOM 0 HA ASP A 35 4.340 13.828 -1.913 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.256 12.853 -1.224 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.352 12.670 0.266 1.00 0.00 H new ATOM 522 N CYS A 36 4.567 11.895 -3.692 1.00 0.00 N ATOM 523 CA CYS A 36 4.317 11.092 -4.897 1.00 0.00 C ATOM 524 C CYS A 36 4.295 9.574 -4.628 1.00 0.00 C ATOM 525 O CYS A 36 3.910 8.799 -5.508 1.00 0.00 O ATOM 526 CB CYS A 36 5.379 11.423 -5.954 1.00 0.00 C ATOM 527 SG CYS A 36 5.019 10.783 -7.625 1.00 0.00 S ATOM 0 H CYS A 36 5.444 12.415 -3.717 1.00 0.00 H new ATOM 0 HA CYS A 36 3.321 11.353 -5.256 1.00 0.00 H new ATOM 0 HB2 CYS A 36 5.490 12.506 -6.011 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.337 11.021 -5.625 1.00 0.00 H new ATOM 532 N ARG A 37 4.696 9.143 -3.424 1.00 0.00 N ATOM 533 CA ARG A 37 4.700 7.714 -3.095 1.00 0.00 C ATOM 534 C ARG A 37 3.312 7.212 -2.718 1.00 0.00 C ATOM 535 O ARG A 37 3.028 6.025 -2.864 1.00 0.00 O ATOM 536 CB ARG A 37 5.669 7.402 -1.953 1.00 0.00 C ATOM 537 CG ARG A 37 7.132 7.432 -2.354 1.00 0.00 C ATOM 538 CD ARG A 37 8.050 7.035 -1.201 1.00 0.00 C ATOM 539 NE ARG A 37 8.256 8.113 -0.221 1.00 0.00 N ATOM 540 CZ ARG A 37 7.483 8.350 0.849 1.00 0.00 C ATOM 541 NH1 ARG A 37 6.451 7.566 1.141 1.00 0.00 N ATOM 542 NH2 ARG A 37 7.759 9.377 1.641 1.00 0.00 N ATOM 0 H ARG A 37 5.017 9.754 -2.673 1.00 0.00 H new ATOM 0 HA ARG A 37 5.029 7.197 -3.997 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.509 8.121 -1.149 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.434 6.416 -1.551 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.292 6.756 -3.194 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.393 8.433 -2.697 1.00 0.00 H new ATOM 0 HD2 ARG A 37 7.629 6.168 -0.693 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.016 6.730 -1.604 1.00 0.00 H new ATOM 0 HE ARG A 37 9.053 8.732 -0.368 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.234 6.766 0.547 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.876 7.764 1.960 1.00 0.00 H new ATOM 0 HH21 ARG A 37 8.555 9.981 1.435 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.175 9.563 2.457 1.00 0.00 H new ATOM 556 N PHE A 38 2.451 8.104 -2.221 1.00 0.00 N ATOM 557 CA PHE A 38 1.102 7.703 -1.818 1.00 0.00 C ATOM 558 C PHE A 38 0.079 7.956 -2.921 1.00 0.00 C ATOM 559 O PHE A 38 0.346 8.687 -3.878 1.00 0.00 O ATOM 560 CB PHE A 38 0.679 8.417 -0.526 1.00 0.00 C ATOM 561 CG PHE A 38 1.293 7.844 0.730 1.00 0.00 C ATOM 562 CD1 PHE A 38 2.627 8.061 1.042 1.00 0.00 C ATOM 563 CD2 PHE A 38 0.521 7.095 1.604 1.00 0.00 C ATOM 564 CE1 PHE A 38 3.177 7.540 2.198 1.00 0.00 C ATOM 565 CE2 PHE A 38 1.067 6.573 2.762 1.00 0.00 C ATOM 566 CZ PHE A 38 2.397 6.795 3.058 1.00 0.00 C ATOM 0 H PHE A 38 2.660 9.094 -2.090 1.00 0.00 H new ATOM 0 HA PHE A 38 1.131 6.629 -1.632 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.950 9.470 -0.601 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.407 8.373 -0.439 1.00 0.00 H new ATOM 0 HD1 PHE A 38 3.243 8.644 0.374 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.520 6.917 1.378 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.217 7.716 2.428 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.453 5.992 3.435 1.00 0.00 H new ATOM 0 HZ PHE A 38 2.826 6.386 3.961 1.00 0.00 H new ATOM 576 N LEU A 39 -1.095 7.334 -2.770 1.00 0.00 N ATOM 577 CA LEU A 39 -2.187 7.466 -3.737 1.00 0.00 C ATOM 578 C LEU A 39 -3.437 8.048 -3.068 1.00 0.00 C ATOM 579 O LEU A 39 -3.779 7.673 -1.945 1.00 0.00 O ATOM 580 CB LEU A 39 -2.489 6.086 -4.358 1.00 0.00 C ATOM 581 CG LEU A 39 -3.675 6.007 -5.340 1.00 0.00 C ATOM 582 CD1 LEU A 39 -3.458 6.898 -6.556 1.00 0.00 C ATOM 583 CD2 LEU A 39 -3.890 4.569 -5.783 1.00 0.00 C ATOM 0 H LEU A 39 -1.313 6.729 -1.979 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.885 8.154 -4.527 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.594 5.745 -4.879 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.673 5.382 -3.547 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.563 6.364 -4.818 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.315 6.816 -7.225 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.348 7.933 -6.233 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.556 6.584 -7.081 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.730 4.524 -6.476 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.991 4.202 -6.278 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.104 3.948 -4.913 1.00 0.00 H new ATOM 595 N THR A 40 -4.115 8.963 -3.775 1.00 0.00 N ATOM 596 CA THR A 40 -5.333 9.597 -3.262 1.00 0.00 C ATOM 597 C THR A 40 -6.547 8.750 -3.639 1.00 0.00 C ATOM 598 O THR A 40 -6.779 8.474 -4.819 1.00 0.00 O ATOM 599 CB THR A 40 -5.471 11.023 -3.820 1.00 0.00 C ATOM 600 OG1 THR A 40 -4.304 11.779 -3.552 1.00 0.00 O ATOM 601 CG2 THR A 40 -6.643 11.798 -3.248 1.00 0.00 C ATOM 0 H THR A 40 -3.838 9.279 -4.704 1.00 0.00 H new ATOM 0 HA THR A 40 -5.272 9.664 -2.176 1.00 0.00 H new ATOM 0 HB THR A 40 -5.634 10.888 -4.889 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.409 12.683 -3.916 1.00 0.00 H new ATOM 0 HG21 THR A 40 -6.672 12.793 -3.691 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.571 11.273 -3.474 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.529 11.885 -2.167 1.00 0.00 H new ATOM 609 N ILE A 41 -7.295 8.319 -2.622 1.00 0.00 N ATOM 610 CA ILE A 41 -8.472 7.472 -2.827 1.00 0.00 C ATOM 611 C ILE A 41 -9.715 8.047 -2.151 1.00 0.00 C ATOM 612 O ILE A 41 -9.706 8.309 -0.951 1.00 0.00 O ATOM 613 CB ILE A 41 -8.220 6.038 -2.274 1.00 0.00 C ATOM 614 CG1 ILE A 41 -7.074 5.362 -3.032 1.00 0.00 C ATOM 615 CG2 ILE A 41 -9.483 5.185 -2.377 1.00 0.00 C ATOM 616 CD1 ILE A 41 -6.441 4.204 -2.283 1.00 0.00 C ATOM 0 H ILE A 41 -7.106 8.543 -1.645 1.00 0.00 H new ATOM 0 HA ILE A 41 -8.646 7.433 -3.902 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.945 6.129 -1.223 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.448 5.001 -3.990 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.306 6.105 -3.249 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -9.282 4.188 -1.985 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -10.283 5.648 -1.799 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -9.787 5.109 -3.421 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.638 3.777 -2.884 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.035 4.561 -1.337 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.194 3.440 -2.090 1.00 0.00 H new ATOM 628 N HIS A 42 -10.793 8.193 -2.921 1.00 0.00 N ATOM 629 CA HIS A 42 -12.055 8.689 -2.386 1.00 0.00 C ATOM 630 C HIS A 42 -12.889 7.520 -1.869 1.00 0.00 C ATOM 631 O HIS A 42 -12.659 6.365 -2.245 1.00 0.00 O ATOM 632 CB HIS A 42 -12.833 9.473 -3.447 1.00 0.00 C ATOM 633 CG HIS A 42 -12.243 10.817 -3.755 1.00 0.00 C ATOM 634 ND1 HIS A 42 -12.087 11.805 -2.806 1.00 0.00 N ATOM 635 CD2 HIS A 42 -11.773 11.335 -4.914 1.00 0.00 C ATOM 636 CE1 HIS A 42 -11.548 12.873 -3.368 1.00 0.00 C ATOM 637 NE2 HIS A 42 -11.347 12.613 -4.646 1.00 0.00 N ATOM 0 H HIS A 42 -10.815 7.974 -3.917 1.00 0.00 H new ATOM 0 HA HIS A 42 -11.839 9.369 -1.562 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -12.874 8.885 -4.364 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -13.860 9.606 -3.108 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -11.739 10.836 -5.871 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -11.312 13.800 -2.867 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -10.941 13.257 -5.325 1.00 0.00 H new ATOM 646 N ARG A 43 -13.836 7.830 -0.991 1.00 0.00 N ATOM 647 CA ARG A 43 -14.703 6.825 -0.382 1.00 0.00 C ATOM 648 C ARG A 43 -15.571 6.118 -1.427 1.00 0.00 C ATOM 649 O ARG A 43 -16.409 6.748 -2.079 1.00 0.00 O ATOM 650 CB ARG A 43 -15.579 7.497 0.681 1.00 0.00 C ATOM 651 CG ARG A 43 -16.278 6.525 1.616 1.00 0.00 C ATOM 652 CD ARG A 43 -16.979 7.253 2.753 1.00 0.00 C ATOM 653 NE ARG A 43 -16.050 8.043 3.564 1.00 0.00 N ATOM 654 CZ ARG A 43 -16.408 8.770 4.626 1.00 0.00 C ATOM 655 NH1 ARG A 43 -17.676 8.820 5.024 1.00 0.00 N ATOM 656 NH2 ARG A 43 -15.488 9.451 5.296 1.00 0.00 N ATOM 0 H ARG A 43 -14.025 8.783 -0.681 1.00 0.00 H new ATOM 0 HA ARG A 43 -14.078 6.062 0.083 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -14.960 8.172 1.273 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -16.331 8.109 0.183 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -17.005 5.938 1.055 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -15.550 5.824 2.025 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -17.747 7.908 2.343 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -17.486 6.527 3.389 1.00 0.00 H new ATOM 0 HE ARG A 43 -15.065 8.038 3.301 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -18.391 8.299 4.516 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -17.934 9.380 5.837 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -14.513 9.418 5.000 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -15.756 10.008 6.108 1.00 0.00 H new ATOM 670 N GLY A 44 -15.369 4.799 -1.568 1.00 0.00 N ATOM 671 CA GLY A 44 -16.146 4.020 -2.521 1.00 0.00 C ATOM 672 C GLY A 44 -15.413 3.704 -3.818 1.00 0.00 C ATOM 673 O GLY A 44 -16.004 3.103 -4.719 1.00 0.00 O ATOM 0 H GLY A 44 -14.682 4.263 -1.038 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -16.445 3.084 -2.049 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -17.060 4.564 -2.757 1.00 0.00 H new ATOM 677 N GLN A 45 -14.135 4.099 -3.928 1.00 0.00 N ATOM 678 CA GLN A 45 -13.362 3.831 -5.147 1.00 0.00 C ATOM 679 C GLN A 45 -12.913 2.375 -5.224 1.00 0.00 C ATOM 680 O GLN A 45 -12.592 1.758 -4.204 1.00 0.00 O ATOM 681 CB GLN A 45 -12.129 4.737 -5.251 1.00 0.00 C ATOM 682 CG GLN A 45 -12.455 6.196 -5.535 1.00 0.00 C ATOM 683 CD GLN A 45 -11.229 7.061 -5.832 1.00 0.00 C ATOM 684 OE1 GLN A 45 -10.025 6.484 -5.801 1.00 0.00 O flip ATOM 685 NE2 GLN A 45 -11.363 8.256 -6.075 1.00 0.00 N flip ATOM 0 H GLN A 45 -13.623 4.597 -3.200 1.00 0.00 H new ATOM 0 HA GLN A 45 -14.031 4.043 -5.981 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -11.566 4.676 -4.319 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -11.480 4.360 -6.041 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -13.137 6.247 -6.384 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -12.982 6.613 -4.677 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -12.294 8.672 -6.092 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -10.543 8.834 -6.260 1.00 0.00 H new ATOM 694 N VAL A 46 -12.877 1.847 -6.450 1.00 0.00 N ATOM 695 CA VAL A 46 -12.445 0.472 -6.695 1.00 0.00 C ATOM 696 C VAL A 46 -10.931 0.460 -6.890 1.00 0.00 C ATOM 697 O VAL A 46 -10.439 0.860 -7.946 1.00 0.00 O ATOM 698 CB VAL A 46 -13.115 -0.135 -7.956 1.00 0.00 C ATOM 699 CG1 VAL A 46 -12.970 -1.649 -7.969 1.00 0.00 C ATOM 700 CG2 VAL A 46 -14.581 0.263 -8.065 1.00 0.00 C ATOM 0 H VAL A 46 -13.144 2.356 -7.292 1.00 0.00 H new ATOM 0 HA VAL A 46 -12.739 -0.130 -5.835 1.00 0.00 H new ATOM 0 HB VAL A 46 -12.598 0.272 -8.825 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -13.447 -2.053 -8.862 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -11.913 -1.913 -7.972 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -13.446 -2.068 -7.082 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -15.013 -0.182 -8.961 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -15.121 -0.092 -7.187 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -14.660 1.348 -8.125 1.00 0.00 H new ATOM 710 N VAL A 47 -10.193 0.032 -5.866 1.00 0.00 N ATOM 711 CA VAL A 47 -8.732 0.011 -5.945 1.00 0.00 C ATOM 712 C VAL A 47 -8.194 -1.417 -6.004 1.00 0.00 C ATOM 713 O VAL A 47 -8.516 -2.250 -5.153 1.00 0.00 O ATOM 714 CB VAL A 47 -8.081 0.753 -4.751 1.00 0.00 C ATOM 715 CG1 VAL A 47 -6.620 1.065 -5.042 1.00 0.00 C ATOM 716 CG2 VAL A 47 -8.837 2.032 -4.414 1.00 0.00 C ATOM 0 H VAL A 47 -10.577 -0.301 -4.982 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.467 0.529 -6.867 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.132 0.092 -3.886 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -6.183 1.586 -4.190 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.077 0.136 -5.217 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -6.552 1.697 -5.928 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.355 2.529 -3.572 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.832 2.696 -5.278 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.866 1.788 -4.150 1.00 0.00 H new ATOM 726 N TYR A 48 -7.366 -1.681 -7.018 1.00 0.00 N ATOM 727 CA TYR A 48 -6.760 -2.997 -7.208 1.00 0.00 C ATOM 728 C TYR A 48 -5.355 -3.029 -6.605 1.00 0.00 C ATOM 729 O TYR A 48 -4.522 -2.168 -6.908 1.00 0.00 O ATOM 730 CB TYR A 48 -6.684 -3.364 -8.704 1.00 0.00 C ATOM 731 CG TYR A 48 -8.022 -3.622 -9.386 1.00 0.00 C ATOM 732 CD1 TYR A 48 -8.979 -2.619 -9.531 1.00 0.00 C ATOM 733 CD2 TYR A 48 -8.314 -4.875 -9.907 1.00 0.00 C ATOM 734 CE1 TYR A 48 -10.182 -2.866 -10.166 1.00 0.00 C ATOM 735 CE2 TYR A 48 -9.513 -5.126 -10.548 1.00 0.00 C ATOM 736 CZ TYR A 48 -10.443 -4.119 -10.673 1.00 0.00 C ATOM 737 OH TYR A 48 -11.638 -4.365 -11.310 1.00 0.00 O ATOM 0 H TYR A 48 -7.100 -0.994 -7.723 1.00 0.00 H new ATOM 0 HA TYR A 48 -7.390 -3.728 -6.701 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -6.176 -2.557 -9.233 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.064 -4.254 -8.811 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -8.777 -1.632 -9.141 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -7.590 -5.670 -9.810 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -10.915 -2.079 -10.264 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -9.719 -6.108 -10.949 1.00 0.00 H new ATOM 0 HH TYR A 48 -11.663 -5.298 -11.609 1.00 0.00 H new ATOM 747 N VAL A 49 -5.101 -4.028 -5.757 1.00 0.00 N ATOM 748 CA VAL A 49 -3.798 -4.184 -5.108 1.00 0.00 C ATOM 749 C VAL A 49 -2.859 -5.001 -5.996 1.00 0.00 C ATOM 750 O VAL A 49 -3.268 -6.005 -6.578 1.00 0.00 O ATOM 751 CB VAL A 49 -3.931 -4.868 -3.723 1.00 0.00 C ATOM 752 CG1 VAL A 49 -2.583 -4.948 -3.014 1.00 0.00 C ATOM 753 CG2 VAL A 49 -4.943 -4.133 -2.855 1.00 0.00 C ATOM 0 H VAL A 49 -5.783 -4.743 -5.503 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.383 -3.187 -4.958 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.287 -5.885 -3.888 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.709 -5.432 -2.046 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.886 -5.526 -3.621 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.189 -3.942 -2.868 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.021 -4.629 -1.888 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -4.617 -3.103 -2.709 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.916 -4.140 -3.346 1.00 0.00 H new ATOM 763 N PHE A 50 -1.605 -4.551 -6.102 1.00 0.00 N ATOM 764 CA PHE A 50 -0.606 -5.229 -6.927 1.00 0.00 C ATOM 765 C PHE A 50 0.578 -5.738 -6.098 1.00 0.00 C ATOM 766 O PHE A 50 1.190 -6.748 -6.456 1.00 0.00 O ATOM 767 CB PHE A 50 -0.096 -4.299 -8.041 1.00 0.00 C ATOM 768 CG PHE A 50 -1.044 -4.136 -9.207 1.00 0.00 C ATOM 769 CD1 PHE A 50 -2.230 -3.425 -9.081 1.00 0.00 C ATOM 770 CD2 PHE A 50 -0.741 -4.704 -10.436 1.00 0.00 C ATOM 771 CE1 PHE A 50 -3.090 -3.286 -10.154 1.00 0.00 C ATOM 772 CE2 PHE A 50 -1.598 -4.567 -11.510 1.00 0.00 C ATOM 773 CZ PHE A 50 -2.773 -3.858 -11.369 1.00 0.00 C ATOM 0 H PHE A 50 -1.259 -3.718 -5.625 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.100 -6.092 -7.374 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.105 -3.317 -7.613 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.853 -4.685 -8.413 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.484 -2.975 -8.133 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.177 -5.260 -10.554 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.009 -2.730 -10.042 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.348 -5.015 -12.461 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.444 -3.751 -12.209 1.00 0.00 H new ATOM 783 N SER A 51 0.916 -5.034 -5.005 1.00 0.00 N ATOM 784 CA SER A 51 2.051 -5.438 -4.163 1.00 0.00 C ATOM 785 C SER A 51 1.862 -5.092 -2.685 1.00 0.00 C ATOM 786 O SER A 51 1.255 -4.077 -2.343 1.00 0.00 O ATOM 787 CB SER A 51 3.340 -4.783 -4.663 1.00 0.00 C ATOM 788 OG SER A 51 3.193 -3.378 -4.769 1.00 0.00 O ATOM 0 H SER A 51 0.428 -4.196 -4.688 1.00 0.00 H new ATOM 0 HA SER A 51 2.113 -6.523 -4.241 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.157 -5.015 -3.980 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.608 -5.198 -5.635 1.00 0.00 H new ATOM 0 HG SER A 51 4.032 -2.985 -5.089 1.00 0.00 H new ATOM 794 N LYS A 52 2.430 -5.948 -1.819 1.00 0.00 N ATOM 795 CA LYS A 52 2.381 -5.750 -0.361 1.00 0.00 C ATOM 796 C LYS A 52 3.813 -5.687 0.178 1.00 0.00 C ATOM 797 O LYS A 52 4.583 -6.627 -0.014 1.00 0.00 O ATOM 798 CB LYS A 52 1.625 -6.893 0.341 1.00 0.00 C ATOM 799 CG LYS A 52 0.412 -7.409 -0.416 1.00 0.00 C ATOM 800 CD LYS A 52 -0.120 -8.696 0.195 1.00 0.00 C ATOM 801 CE LYS A 52 -1.325 -9.220 -0.568 1.00 0.00 C ATOM 802 NZ LYS A 52 -1.853 -10.480 0.025 1.00 0.00 N ATOM 0 H LYS A 52 2.931 -6.789 -2.106 1.00 0.00 H new ATOM 0 HA LYS A 52 1.850 -4.820 -0.158 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.315 -7.721 0.503 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.304 -6.548 1.324 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.371 -6.651 -0.410 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.679 -7.583 -1.458 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.666 -9.451 0.197 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.395 -8.519 1.235 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.110 -8.464 -0.571 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.048 -9.396 -1.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.674 -10.805 -0.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.113 -11.210 0.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.141 -10.306 1.009 1.00 0.00 H new ATOM 816 N LEU A 53 4.174 -4.577 0.833 1.00 0.00 N ATOM 817 CA LEU A 53 5.534 -4.405 1.368 1.00 0.00 C ATOM 818 C LEU A 53 5.838 -5.395 2.497 1.00 0.00 C ATOM 819 O LEU A 53 4.932 -5.819 3.220 1.00 0.00 O ATOM 820 CB LEU A 53 5.738 -2.966 1.858 1.00 0.00 C ATOM 821 CG LEU A 53 5.413 -1.864 0.832 1.00 0.00 C ATOM 822 CD1 LEU A 53 5.508 -0.494 1.487 1.00 0.00 C ATOM 823 CD2 LEU A 53 6.334 -1.945 -0.384 1.00 0.00 C ATOM 0 H LEU A 53 3.550 -3.789 1.006 1.00 0.00 H new ATOM 0 HA LEU A 53 6.230 -4.611 0.555 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.118 -2.810 2.741 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.775 -2.851 2.172 1.00 0.00 H new ATOM 0 HG LEU A 53 4.392 -2.018 0.482 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.276 0.277 0.752 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.798 -0.435 2.312 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.518 -0.342 1.867 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.078 -1.153 -1.088 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.369 -1.825 -0.065 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.213 -2.914 -0.868 1.00 0.00 H new ATOM 835 N LYS A 54 7.122 -5.765 2.633 1.00 0.00 N ATOM 836 CA LYS A 54 7.550 -6.717 3.666 1.00 0.00 C ATOM 837 C LYS A 54 7.908 -6.008 4.981 1.00 0.00 C ATOM 838 O LYS A 54 7.020 -5.712 5.781 1.00 0.00 O ATOM 839 CB LYS A 54 8.735 -7.562 3.172 1.00 0.00 C ATOM 840 CG LYS A 54 8.421 -8.433 1.973 1.00 0.00 C ATOM 841 CD LYS A 54 9.609 -9.297 1.563 1.00 0.00 C ATOM 842 CE LYS A 54 9.758 -10.545 2.432 1.00 0.00 C ATOM 843 NZ LYS A 54 10.281 -10.236 3.793 1.00 0.00 N ATOM 0 H LYS A 54 7.878 -5.420 2.042 1.00 0.00 H new ATOM 0 HA LYS A 54 6.707 -7.379 3.866 1.00 0.00 H new ATOM 0 HB2 LYS A 54 9.560 -6.896 2.917 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.079 -8.197 3.988 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.570 -9.074 2.204 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.126 -7.802 1.135 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.493 -9.596 0.521 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.522 -8.705 1.625 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.790 -11.038 2.522 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.430 -11.248 1.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.936 -10.986 4.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.783 -9.325 3.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.489 -10.180 4.465 1.00 0.00 H new ATOM 857 N GLY A 55 9.207 -5.748 5.206 1.00 0.00 N ATOM 858 CA GLY A 55 9.644 -5.092 6.428 1.00 0.00 C ATOM 859 C GLY A 55 9.352 -3.608 6.430 1.00 0.00 C ATOM 860 O GLY A 55 9.252 -3.004 5.361 1.00 0.00 O ATOM 0 H GLY A 55 9.959 -5.983 4.558 1.00 0.00 H new ATOM 0 HA2 GLY A 55 9.150 -5.556 7.282 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.715 -5.248 6.556 1.00 0.00 H new ATOM 864 N ARG A 56 9.218 -3.042 7.648 1.00 0.00 N ATOM 865 CA ARG A 56 8.928 -1.609 7.881 1.00 0.00 C ATOM 866 C ARG A 56 7.465 -1.271 7.581 1.00 0.00 C ATOM 867 O ARG A 56 6.748 -0.784 8.459 1.00 0.00 O ATOM 868 CB ARG A 56 9.863 -0.687 7.075 1.00 0.00 C ATOM 869 CG ARG A 56 11.350 -0.862 7.378 1.00 0.00 C ATOM 870 CD ARG A 56 11.800 -0.041 8.580 1.00 0.00 C ATOM 871 NE ARG A 56 11.257 -0.543 9.845 1.00 0.00 N ATOM 872 CZ ARG A 56 11.487 0.014 11.038 1.00 0.00 C ATOM 873 NH1 ARG A 56 12.247 1.100 11.150 1.00 0.00 N ATOM 874 NH2 ARG A 56 10.950 -0.520 12.127 1.00 0.00 N ATOM 0 H ARG A 56 9.310 -3.576 8.512 1.00 0.00 H new ATOM 0 HA ARG A 56 9.113 -1.429 8.940 1.00 0.00 H new ATOM 0 HB2 ARG A 56 9.699 -0.866 6.012 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.586 0.349 7.270 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.558 -1.916 7.563 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.933 -0.570 6.504 1.00 0.00 H new ATOM 0 HD2 ARG A 56 12.889 -0.045 8.630 1.00 0.00 H new ATOM 0 HD3 ARG A 56 11.491 0.995 8.443 1.00 0.00 H new ATOM 0 HE ARG A 56 10.664 -1.372 9.813 1.00 0.00 H new ATOM 0 HH11 ARG A 56 12.663 1.519 10.318 1.00 0.00 H new ATOM 0 HH12 ARG A 56 12.413 1.514 12.067 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.365 -1.352 12.052 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.122 -0.099 13.040 1.00 0.00 H new ATOM 888 N GLY A 57 7.031 -1.532 6.343 1.00 0.00 N ATOM 889 CA GLY A 57 5.662 -1.253 5.943 1.00 0.00 C ATOM 890 C GLY A 57 4.663 -2.199 6.583 1.00 0.00 C ATOM 891 O GLY A 57 3.727 -1.746 7.237 1.00 0.00 O ATOM 0 H GLY A 57 7.612 -1.935 5.608 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.410 -0.227 6.213 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.582 -1.326 4.858 1.00 0.00 H new ATOM 895 N ARG A 58 4.886 -3.513 6.383 1.00 0.00 N ATOM 896 CA ARG A 58 4.036 -4.592 6.923 1.00 0.00 C ATOM 897 C ARG A 58 2.585 -4.476 6.454 1.00 0.00 C ATOM 898 O ARG A 58 2.155 -5.203 5.555 1.00 0.00 O ATOM 899 CB ARG A 58 4.101 -4.635 8.463 1.00 0.00 C ATOM 900 CG ARG A 58 5.477 -4.976 9.024 1.00 0.00 C ATOM 901 CD ARG A 58 5.849 -6.435 8.784 1.00 0.00 C ATOM 902 NE ARG A 58 7.161 -6.767 9.342 1.00 0.00 N ATOM 903 CZ ARG A 58 7.726 -7.976 9.274 1.00 0.00 C ATOM 904 NH1 ARG A 58 7.106 -8.988 8.671 1.00 0.00 N ATOM 905 NH2 ARG A 58 8.922 -8.173 9.813 1.00 0.00 N ATOM 0 H ARG A 58 5.673 -3.859 5.834 1.00 0.00 H new ATOM 0 HA ARG A 58 4.433 -5.528 6.531 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.792 -3.666 8.855 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.382 -5.370 8.825 1.00 0.00 H new ATOM 0 HG2 ARG A 58 6.226 -4.331 8.564 1.00 0.00 H new ATOM 0 HG3 ARG A 58 5.493 -4.770 10.094 1.00 0.00 H new ATOM 0 HD2 ARG A 58 5.092 -7.080 9.230 1.00 0.00 H new ATOM 0 HD3 ARG A 58 5.849 -6.637 7.713 1.00 0.00 H new ATOM 0 HE ARG A 58 7.679 -6.026 9.814 1.00 0.00 H new ATOM 0 HH11 ARG A 58 6.187 -8.846 8.253 1.00 0.00 H new ATOM 0 HH12 ARG A 58 7.550 -9.905 8.627 1.00 0.00 H new ATOM 0 HH21 ARG A 58 9.406 -7.404 10.276 1.00 0.00 H new ATOM 0 HH22 ARG A 58 9.358 -9.094 9.764 1.00 0.00 H new ATOM 919 N LEU A 59 1.844 -3.557 7.068 1.00 0.00 N ATOM 920 CA LEU A 59 0.443 -3.327 6.729 1.00 0.00 C ATOM 921 C LEU A 59 0.307 -2.335 5.570 1.00 0.00 C ATOM 922 O LEU A 59 -0.806 -2.032 5.136 1.00 0.00 O ATOM 923 CB LEU A 59 -0.341 -2.854 7.969 1.00 0.00 C ATOM 924 CG LEU A 59 0.176 -1.579 8.654 1.00 0.00 C ATOM 925 CD1 LEU A 59 -0.597 -0.355 8.179 1.00 0.00 C ATOM 926 CD2 LEU A 59 0.083 -1.715 10.166 1.00 0.00 C ATOM 0 H LEU A 59 2.196 -2.954 7.811 1.00 0.00 H new ATOM 0 HA LEU A 59 0.013 -4.272 6.397 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.378 -2.689 7.676 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.341 -3.661 8.702 1.00 0.00 H new ATOM 0 HG LEU A 59 1.223 -1.445 8.380 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.213 0.534 8.678 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.479 -0.246 7.101 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.654 -0.477 8.418 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.453 -0.804 10.637 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.956 -1.876 10.454 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.685 -2.563 10.493 1.00 0.00 H new ATOM 938 N PHE A 60 1.444 -1.842 5.064 1.00 0.00 N ATOM 939 CA PHE A 60 1.437 -0.897 3.945 1.00 0.00 C ATOM 940 C PHE A 60 1.456 -1.642 2.611 1.00 0.00 C ATOM 941 O PHE A 60 2.422 -2.338 2.281 1.00 0.00 O ATOM 942 CB PHE A 60 2.632 0.068 4.023 1.00 0.00 C ATOM 943 CG PHE A 60 2.438 1.241 4.956 1.00 0.00 C ATOM 944 CD1 PHE A 60 2.359 1.067 6.331 1.00 0.00 C ATOM 945 CD2 PHE A 60 2.336 2.526 4.446 1.00 0.00 C ATOM 946 CE1 PHE A 60 2.183 2.147 7.174 1.00 0.00 C ATOM 947 CE2 PHE A 60 2.160 3.610 5.285 1.00 0.00 C ATOM 948 CZ PHE A 60 2.083 3.421 6.650 1.00 0.00 C ATOM 0 H PHE A 60 2.373 -2.081 5.410 1.00 0.00 H new ATOM 0 HA PHE A 60 0.519 -0.313 4.012 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.512 -0.490 4.342 1.00 0.00 H new ATOM 0 HB3 PHE A 60 2.841 0.448 3.023 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.436 0.073 6.747 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.395 2.682 3.379 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.124 1.995 8.242 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.083 4.605 4.872 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.945 4.267 7.307 1.00 0.00 H new ATOM 958 N TRP A 61 0.368 -1.487 1.853 1.00 0.00 N ATOM 959 CA TRP A 61 0.226 -2.133 0.548 1.00 0.00 C ATOM 960 C TRP A 61 0.352 -1.096 -0.569 1.00 0.00 C ATOM 961 O TRP A 61 0.711 0.053 -0.307 1.00 0.00 O ATOM 962 CB TRP A 61 -1.129 -2.868 0.464 1.00 0.00 C ATOM 963 CG TRP A 61 -1.226 -4.147 1.280 1.00 0.00 C ATOM 964 CD1 TRP A 61 -0.334 -4.629 2.205 1.00 0.00 C ATOM 965 CD2 TRP A 61 -2.301 -5.101 1.245 1.00 0.00 C ATOM 966 NE1 TRP A 61 -0.780 -5.820 2.719 1.00 0.00 N ATOM 967 CE2 TRP A 61 -1.986 -6.126 2.157 1.00 0.00 C ATOM 968 CE3 TRP A 61 -3.494 -5.190 0.530 1.00 0.00 C ATOM 969 CZ2 TRP A 61 -2.822 -7.221 2.371 1.00 0.00 C ATOM 970 CZ3 TRP A 61 -4.320 -6.274 0.745 1.00 0.00 C ATOM 971 CH2 TRP A 61 -3.984 -7.276 1.656 1.00 0.00 C ATOM 0 H TRP A 61 -0.432 -0.915 2.124 1.00 0.00 H new ATOM 0 HA TRP A 61 1.022 -2.867 0.426 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -1.914 -2.187 0.792 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -1.330 -3.107 -0.580 1.00 0.00 H new ATOM 0 HD1 TRP A 61 0.587 -4.141 2.488 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -0.289 -6.387 3.411 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -3.767 -4.424 -0.180 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -2.560 -7.996 3.076 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -5.247 -6.349 0.196 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -4.655 -8.110 1.798 1.00 0.00 H new ATOM 982 N GLY A 62 0.067 -1.505 -1.808 1.00 0.00 N ATOM 983 CA GLY A 62 0.164 -0.590 -2.935 1.00 0.00 C ATOM 984 C GLY A 62 -0.434 -1.158 -4.204 1.00 0.00 C ATOM 985 O GLY A 62 -0.682 -2.359 -4.291 1.00 0.00 O ATOM 0 H GLY A 62 -0.228 -2.451 -2.049 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.343 0.342 -2.685 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.212 -0.346 -3.110 1.00 0.00 H new ATOM 989 N GLY A 63 -0.663 -0.281 -5.187 1.00 0.00 N ATOM 990 CA GLY A 63 -1.234 -0.696 -6.458 1.00 0.00 C ATOM 991 C GLY A 63 -1.746 0.481 -7.266 1.00 0.00 C ATOM 992 O GLY A 63 -1.161 1.567 -7.227 1.00 0.00 O ATOM 0 H GLY A 63 -0.460 0.716 -5.121 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.480 -1.231 -7.036 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.052 -1.394 -6.277 1.00 0.00 H new ATOM 996 N SER A 64 -2.843 0.264 -7.994 1.00 0.00 N ATOM 997 CA SER A 64 -3.448 1.312 -8.816 1.00 0.00 C ATOM 998 C SER A 64 -4.959 1.327 -8.624 1.00 0.00 C ATOM 999 O SER A 64 -5.548 0.312 -8.251 1.00 0.00 O ATOM 1000 CB SER A 64 -3.109 1.104 -10.294 1.00 0.00 C ATOM 1001 OG SER A 64 -3.652 -0.110 -10.782 1.00 0.00 O ATOM 0 H SER A 64 -3.331 -0.631 -8.030 1.00 0.00 H new ATOM 0 HA SER A 64 -3.041 2.272 -8.499 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.496 1.939 -10.879 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.027 1.099 -10.424 1.00 0.00 H new ATOM 0 HG SER A 64 -3.223 -0.866 -10.329 1.00 0.00 H new ATOM 1007 N VAL A 65 -5.579 2.482 -8.871 1.00 0.00 N ATOM 1008 CA VAL A 65 -7.025 2.622 -8.713 1.00 0.00 C ATOM 1009 C VAL A 65 -7.744 2.714 -10.065 1.00 0.00 C ATOM 1010 O VAL A 65 -7.342 3.468 -10.956 1.00 0.00 O ATOM 1011 CB VAL A 65 -7.385 3.845 -7.815 1.00 0.00 C ATOM 1012 CG1 VAL A 65 -6.777 5.136 -8.354 1.00 0.00 C ATOM 1013 CG2 VAL A 65 -8.896 3.988 -7.656 1.00 0.00 C ATOM 0 H VAL A 65 -5.104 3.330 -9.180 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.375 1.719 -8.214 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.955 3.659 -6.831 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -7.049 5.966 -7.702 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.692 5.041 -8.387 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.155 5.324 -9.359 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -9.116 4.849 -7.025 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -9.353 4.130 -8.635 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -9.300 3.087 -7.194 1.00 0.00 H new ATOM 1023 N GLN A 66 -8.817 1.933 -10.189 1.00 0.00 N ATOM 1024 CA GLN A 66 -9.628 1.899 -11.401 1.00 0.00 C ATOM 1025 C GLN A 66 -10.948 2.641 -11.173 1.00 0.00 C ATOM 1026 O GLN A 66 -11.590 2.476 -10.133 1.00 0.00 O ATOM 1027 CB GLN A 66 -9.896 0.445 -11.813 1.00 0.00 C ATOM 1028 CG GLN A 66 -10.793 0.299 -13.033 1.00 0.00 C ATOM 1029 CD GLN A 66 -11.020 -1.148 -13.428 1.00 0.00 C ATOM 1030 OE1 GLN A 66 -10.078 -1.876 -13.739 1.00 0.00 O ATOM 1031 NE2 GLN A 66 -12.279 -1.569 -13.417 1.00 0.00 N ATOM 0 H GLN A 66 -9.146 1.308 -9.453 1.00 0.00 H new ATOM 0 HA GLN A 66 -9.085 2.396 -12.205 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -8.944 -0.045 -12.015 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.353 -0.080 -10.975 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -11.755 0.770 -12.829 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -10.347 0.834 -13.872 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -13.028 -0.930 -13.152 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -12.497 -2.532 -13.673 1.00 0.00 H new ATOM 1040 N GLY A 67 -11.341 3.454 -12.155 1.00 0.00 N ATOM 1041 CA GLY A 67 -12.578 4.212 -12.055 1.00 0.00 C ATOM 1042 C GLY A 67 -12.582 5.433 -12.951 1.00 0.00 C ATOM 1043 O GLY A 67 -13.635 5.846 -13.441 1.00 0.00 O ATOM 0 H GLY A 67 -10.821 3.600 -13.020 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -13.417 3.569 -12.319 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -12.728 4.523 -11.021 1.00 0.00 H new ATOM 1047 N ASP A 68 -11.396 6.005 -13.165 1.00 0.00 N ATOM 1048 CA ASP A 68 -11.248 7.188 -14.008 1.00 0.00 C ATOM 1049 C ASP A 68 -9.943 7.141 -14.804 1.00 0.00 C ATOM 1050 O ASP A 68 -8.858 6.989 -14.236 1.00 0.00 O ATOM 1051 CB ASP A 68 -11.333 8.470 -13.160 1.00 0.00 C ATOM 1052 CG ASP A 68 -10.511 8.408 -11.881 1.00 0.00 C ATOM 1053 OD1 ASP A 68 -9.266 8.392 -11.966 1.00 0.00 O ATOM 1054 OD2 ASP A 68 -11.119 8.376 -10.790 1.00 0.00 O ATOM 0 H ASP A 68 -10.522 5.665 -12.764 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.069 7.198 -14.724 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -10.995 9.315 -13.759 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.376 8.658 -12.904 1.00 0.00 H new ATOM 1059 N TYR A 69 -10.063 7.261 -16.129 1.00 0.00 N ATOM 1060 CA TYR A 69 -8.902 7.230 -17.020 1.00 0.00 C ATOM 1061 C TYR A 69 -8.869 8.473 -17.909 1.00 0.00 C ATOM 1062 O TYR A 69 -9.613 8.568 -18.890 1.00 0.00 O ATOM 1063 CB TYR A 69 -8.906 5.963 -17.899 1.00 0.00 C ATOM 1064 CG TYR A 69 -8.734 4.654 -17.147 1.00 0.00 C ATOM 1065 CD1 TYR A 69 -9.798 4.054 -16.480 1.00 0.00 C ATOM 1066 CD2 TYR A 69 -7.500 4.017 -17.111 1.00 0.00 C ATOM 1067 CE1 TYR A 69 -9.635 2.862 -15.801 1.00 0.00 C ATOM 1068 CE2 TYR A 69 -7.329 2.826 -16.434 1.00 0.00 C ATOM 1069 CZ TYR A 69 -8.398 2.253 -15.782 1.00 0.00 C ATOM 1070 OH TYR A 69 -8.231 1.064 -15.108 1.00 0.00 O ATOM 0 H TYR A 69 -10.955 7.381 -16.608 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.010 7.215 -16.394 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.845 5.926 -18.451 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.107 6.048 -18.635 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -10.768 4.529 -16.493 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -6.659 4.462 -17.622 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -10.471 2.410 -15.288 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -6.362 2.346 -16.416 1.00 0.00 H new ATOM 0 HH TYR A 69 -7.301 0.768 -15.193 1.00 0.00 H new ATOM 1080 N TYR A 70 -8.000 9.421 -17.556 1.00 0.00 N ATOM 1081 CA TYR A 70 -7.855 10.663 -18.315 1.00 0.00 C ATOM 1082 C TYR A 70 -6.506 10.707 -19.036 1.00 0.00 C ATOM 1083 O TYR A 70 -6.236 11.632 -19.808 1.00 0.00 O ATOM 1084 CB TYR A 70 -7.996 11.887 -17.396 1.00 0.00 C ATOM 1085 CG TYR A 70 -9.406 12.143 -16.888 1.00 0.00 C ATOM 1086 CD1 TYR A 70 -9.981 11.344 -15.902 1.00 0.00 C ATOM 1087 CD2 TYR A 70 -10.162 13.190 -17.401 1.00 0.00 C ATOM 1088 CE1 TYR A 70 -11.264 11.583 -15.448 1.00 0.00 C ATOM 1089 CE2 TYR A 70 -11.445 13.435 -16.950 1.00 0.00 C ATOM 1090 CZ TYR A 70 -11.990 12.628 -15.973 1.00 0.00 C ATOM 1091 OH TYR A 70 -13.267 12.870 -15.522 1.00 0.00 O ATOM 0 H TYR A 70 -7.384 9.351 -16.746 1.00 0.00 H new ATOM 0 HA TYR A 70 -8.651 10.691 -19.059 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -7.334 11.759 -16.540 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -7.653 12.770 -17.935 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -9.414 10.524 -15.486 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -9.739 13.824 -18.166 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -11.695 10.953 -14.684 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -12.018 14.254 -17.360 1.00 0.00 H new ATOM 0 HH TYR A 70 -13.640 13.644 -15.994 1.00 0.00 H new ATOM 1101 N GLY A 71 -5.670 9.701 -18.775 1.00 0.00 N ATOM 1102 CA GLY A 71 -4.356 9.627 -19.394 1.00 0.00 C ATOM 1103 C GLY A 71 -3.367 8.860 -18.539 1.00 0.00 C ATOM 1104 O GLY A 71 -3.204 7.649 -18.706 1.00 0.00 O ATOM 0 H GLY A 71 -5.883 8.931 -18.141 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.441 9.147 -20.369 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.980 10.635 -19.567 1.00 0.00 H new ATOM 1108 N ASP A 72 -2.716 9.569 -17.617 1.00 0.00 N ATOM 1109 CA ASP A 72 -1.742 8.960 -16.716 1.00 0.00 C ATOM 1110 C ASP A 72 -2.330 8.822 -15.312 1.00 0.00 C ATOM 1111 O ASP A 72 -2.233 9.739 -14.489 1.00 0.00 O ATOM 1112 CB ASP A 72 -0.451 9.794 -16.675 1.00 0.00 C ATOM 1113 CG ASP A 72 0.282 9.844 -18.009 1.00 0.00 C ATOM 1114 OD1 ASP A 72 -0.166 9.184 -18.974 1.00 0.00 O ATOM 1115 OD2 ASP A 72 1.315 10.541 -18.086 1.00 0.00 O ATOM 0 H ASP A 72 -2.848 10.571 -17.475 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.499 7.966 -17.091 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.694 10.810 -16.365 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.216 9.380 -15.918 1.00 0.00 H new ATOM 1120 N LEU A 73 -2.953 7.671 -15.052 1.00 0.00 N ATOM 1121 CA LEU A 73 -3.573 7.403 -13.756 1.00 0.00 C ATOM 1122 C LEU A 73 -3.197 6.003 -13.269 1.00 0.00 C ATOM 1123 O LEU A 73 -2.639 5.848 -12.180 1.00 0.00 O ATOM 1124 CB LEU A 73 -5.108 7.550 -13.871 1.00 0.00 C ATOM 1125 CG LEU A 73 -5.882 7.975 -12.596 1.00 0.00 C ATOM 1126 CD1 LEU A 73 -5.878 6.876 -11.542 1.00 0.00 C ATOM 1127 CD2 LEU A 73 -5.336 9.280 -12.022 1.00 0.00 C ATOM 0 H LEU A 73 -3.041 6.909 -15.724 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.207 8.126 -13.027 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -5.319 8.280 -14.652 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -5.513 6.596 -14.209 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.917 8.145 -12.892 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -6.430 7.212 -10.664 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.350 5.981 -11.947 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.851 6.647 -11.259 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -5.901 9.549 -11.129 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.285 9.152 -11.762 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.432 10.072 -12.764 1.00 0.00 H new ATOM 1139 N ALA A 74 -3.505 4.991 -14.085 1.00 0.00 N ATOM 1140 CA ALA A 74 -3.202 3.602 -13.741 1.00 0.00 C ATOM 1141 C ALA A 74 -1.801 3.206 -14.203 1.00 0.00 C ATOM 1142 O ALA A 74 -1.314 2.124 -13.864 1.00 0.00 O ATOM 1143 CB ALA A 74 -4.240 2.665 -14.340 1.00 0.00 C ATOM 0 H ALA A 74 -3.964 5.109 -14.988 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.234 3.515 -12.655 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.998 1.636 -14.074 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.226 2.918 -13.951 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.240 2.768 -15.425 1.00 0.00 H new ATOM 1149 N ALA A 75 -1.155 4.093 -14.970 1.00 0.00 N ATOM 1150 CA ALA A 75 0.195 3.846 -15.474 1.00 0.00 C ATOM 1151 C ALA A 75 1.210 3.879 -14.335 1.00 0.00 C ATOM 1152 O ALA A 75 2.180 3.117 -14.331 1.00 0.00 O ATOM 1153 CB ALA A 75 0.560 4.868 -16.539 1.00 0.00 C ATOM 0 H ALA A 75 -1.550 4.990 -15.254 1.00 0.00 H new ATOM 0 HA ALA A 75 0.216 2.853 -15.924 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.568 4.670 -16.903 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.145 4.798 -17.367 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.519 5.870 -16.111 1.00 0.00 H new ATOM 1159 N ARG A 76 0.962 4.763 -13.367 1.00 0.00 N ATOM 1160 CA ARG A 76 1.833 4.902 -12.203 1.00 0.00 C ATOM 1161 C ARG A 76 1.305 4.068 -11.039 1.00 0.00 C ATOM 1162 O ARG A 76 0.098 3.824 -10.937 1.00 0.00 O ATOM 1163 CB ARG A 76 1.961 6.376 -11.787 1.00 0.00 C ATOM 1164 CG ARG A 76 0.629 7.078 -11.546 1.00 0.00 C ATOM 1165 CD ARG A 76 0.833 8.485 -11.002 1.00 0.00 C ATOM 1166 NE ARG A 76 -0.422 9.238 -10.898 1.00 0.00 N ATOM 1167 CZ ARG A 76 -1.377 9.007 -9.988 1.00 0.00 C ATOM 1168 NH1 ARG A 76 -1.227 8.066 -9.060 1.00 0.00 N ATOM 1169 NH2 ARG A 76 -2.485 9.734 -10.003 1.00 0.00 N ATOM 0 H ARG A 76 0.161 5.395 -13.368 1.00 0.00 H new ATOM 0 HA ARG A 76 2.823 4.536 -12.475 1.00 0.00 H new ATOM 0 HB2 ARG A 76 2.559 6.434 -10.877 1.00 0.00 H new ATOM 0 HB3 ARG A 76 2.507 6.914 -12.562 1.00 0.00 H new ATOM 0 HG2 ARG A 76 0.067 7.125 -12.479 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.032 6.497 -10.843 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.299 8.426 -10.019 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.523 9.025 -11.650 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.578 9.992 -11.567 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -0.374 7.507 -9.034 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.965 7.904 -8.375 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.606 10.464 -10.705 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.216 9.563 -9.313 1.00 0.00 H new ATOM 1183 N LEU A 77 2.214 3.631 -10.171 1.00 0.00 N ATOM 1184 CA LEU A 77 1.847 2.820 -9.014 1.00 0.00 C ATOM 1185 C LEU A 77 2.138 3.554 -7.712 1.00 0.00 C ATOM 1186 O LEU A 77 3.268 3.992 -7.472 1.00 0.00 O ATOM 1187 CB LEU A 77 2.589 1.477 -9.049 1.00 0.00 C ATOM 1188 CG LEU A 77 2.141 0.512 -10.155 1.00 0.00 C ATOM 1189 CD1 LEU A 77 3.150 -0.614 -10.321 1.00 0.00 C ATOM 1190 CD2 LEU A 77 0.763 -0.061 -9.843 1.00 0.00 C ATOM 0 H LEU A 77 3.212 3.826 -10.248 1.00 0.00 H new ATOM 0 HA LEU A 77 0.774 2.632 -9.060 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.655 1.672 -9.169 1.00 0.00 H new ATOM 0 HB3 LEU A 77 2.461 0.984 -8.085 1.00 0.00 H new ATOM 0 HG LEU A 77 2.082 1.070 -11.090 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.816 -1.289 -11.109 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.121 -0.196 -10.588 1.00 0.00 H new ATOM 0 HD13 LEU A 77 3.237 -1.165 -9.385 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.464 -0.743 -10.639 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.799 -0.601 -8.897 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.039 0.751 -9.769 1.00 0.00 H new ATOM 1202 N GLY A 78 1.106 3.677 -6.877 1.00 0.00 N ATOM 1203 CA GLY A 78 1.246 4.351 -5.597 1.00 0.00 C ATOM 1204 C GLY A 78 1.111 3.388 -4.439 1.00 0.00 C ATOM 1205 O GLY A 78 1.024 2.177 -4.646 1.00 0.00 O ATOM 0 H GLY A 78 0.170 3.319 -7.067 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.217 4.843 -5.549 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.489 5.131 -5.512 1.00 0.00 H new ATOM 1209 N TYR A 79 1.096 3.923 -3.217 1.00 0.00 N ATOM 1210 CA TYR A 79 0.971 3.096 -2.018 1.00 0.00 C ATOM 1211 C TYR A 79 -0.136 3.626 -1.109 1.00 0.00 C ATOM 1212 O TYR A 79 -0.403 4.832 -1.074 1.00 0.00 O ATOM 1213 CB TYR A 79 2.310 3.012 -1.263 1.00 0.00 C ATOM 1214 CG TYR A 79 3.447 2.424 -2.087 1.00 0.00 C ATOM 1215 CD1 TYR A 79 3.428 1.092 -2.494 1.00 0.00 C ATOM 1216 CD2 TYR A 79 4.527 3.207 -2.476 1.00 0.00 C ATOM 1217 CE1 TYR A 79 4.450 0.562 -3.257 1.00 0.00 C ATOM 1218 CE2 TYR A 79 5.553 2.683 -3.239 1.00 0.00 C ATOM 1219 CZ TYR A 79 5.509 1.361 -3.627 1.00 0.00 C ATOM 1220 OH TYR A 79 6.529 0.836 -4.388 1.00 0.00 O ATOM 0 H TYR A 79 1.169 4.924 -3.033 1.00 0.00 H new ATOM 0 HA TYR A 79 0.700 2.087 -2.330 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.593 4.011 -0.933 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.173 2.407 -0.367 1.00 0.00 H new ATOM 0 HD1 TYR A 79 2.599 0.462 -2.208 1.00 0.00 H new ATOM 0 HD2 TYR A 79 4.565 4.244 -2.177 1.00 0.00 H new ATOM 0 HE1 TYR A 79 4.419 -0.474 -3.562 1.00 0.00 H new ATOM 0 HE2 TYR A 79 6.386 3.306 -3.530 1.00 0.00 H new ATOM 0 HH TYR A 79 7.384 0.974 -3.929 1.00 0.00 H new ATOM 1230 N PHE A 80 -0.788 2.704 -0.397 1.00 0.00 N ATOM 1231 CA PHE A 80 -1.891 3.041 0.504 1.00 0.00 C ATOM 1232 C PHE A 80 -1.980 2.037 1.669 1.00 0.00 C ATOM 1233 O PHE A 80 -1.537 0.892 1.526 1.00 0.00 O ATOM 1234 CB PHE A 80 -3.220 3.082 -0.291 1.00 0.00 C ATOM 1235 CG PHE A 80 -3.490 1.859 -1.143 1.00 0.00 C ATOM 1236 CD1 PHE A 80 -4.039 0.705 -0.594 1.00 0.00 C ATOM 1237 CD2 PHE A 80 -3.186 1.866 -2.496 1.00 0.00 C ATOM 1238 CE1 PHE A 80 -4.277 -0.408 -1.375 1.00 0.00 C ATOM 1239 CE2 PHE A 80 -3.421 0.755 -3.281 1.00 0.00 C ATOM 1240 CZ PHE A 80 -3.967 -0.383 -2.720 1.00 0.00 C ATOM 0 H PHE A 80 -0.568 1.709 -0.429 1.00 0.00 H new ATOM 0 HA PHE A 80 -1.705 4.026 0.933 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -4.044 3.206 0.412 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -3.215 3.962 -0.935 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -4.282 0.679 0.458 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.760 2.753 -2.942 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -4.705 -1.297 -0.935 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.178 0.776 -4.333 1.00 0.00 H new ATOM 0 HZ PHE A 80 -4.151 -1.253 -3.333 1.00 0.00 H new ATOM 1250 N PRO A 81 -2.555 2.433 2.845 1.00 0.00 N ATOM 1251 CA PRO A 81 -2.686 1.533 3.996 1.00 0.00 C ATOM 1252 C PRO A 81 -3.788 0.499 3.777 1.00 0.00 C ATOM 1253 O PRO A 81 -4.866 0.828 3.283 1.00 0.00 O ATOM 1254 CB PRO A 81 -3.052 2.463 5.166 1.00 0.00 C ATOM 1255 CG PRO A 81 -2.920 3.855 4.640 1.00 0.00 C ATOM 1256 CD PRO A 81 -3.120 3.760 3.158 1.00 0.00 C ATOM 0 HA PRO A 81 -1.772 0.965 4.172 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -4.067 2.272 5.514 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -2.388 2.302 6.015 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -3.661 4.514 5.092 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -1.940 4.269 4.875 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.173 3.827 2.885 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -2.601 4.558 2.626 1.00 0.00 H new ATOM 1264 N SER A 82 -3.507 -0.751 4.145 1.00 0.00 N ATOM 1265 CA SER A 82 -4.468 -1.846 3.987 1.00 0.00 C ATOM 1266 C SER A 82 -5.718 -1.624 4.851 1.00 0.00 C ATOM 1267 O SER A 82 -6.778 -2.199 4.588 1.00 0.00 O ATOM 1268 CB SER A 82 -3.799 -3.178 4.351 1.00 0.00 C ATOM 1269 OG SER A 82 -3.493 -3.235 5.734 1.00 0.00 O ATOM 0 H SER A 82 -2.617 -1.033 4.557 1.00 0.00 H new ATOM 0 HA SER A 82 -4.787 -1.873 2.945 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.459 -4.004 4.087 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.886 -3.301 3.768 1.00 0.00 H new ATOM 0 HG SER A 82 -2.598 -2.865 5.887 1.00 0.00 H new ATOM 1275 N SER A 83 -5.575 -0.784 5.881 1.00 0.00 N ATOM 1276 CA SER A 83 -6.666 -0.473 6.807 1.00 0.00 C ATOM 1277 C SER A 83 -7.825 0.286 6.148 1.00 0.00 C ATOM 1278 O SER A 83 -8.955 0.219 6.638 1.00 0.00 O ATOM 1279 CB SER A 83 -6.129 0.337 7.989 1.00 0.00 C ATOM 1280 OG SER A 83 -5.543 1.550 7.552 1.00 0.00 O ATOM 0 H SER A 83 -4.702 -0.302 6.095 1.00 0.00 H new ATOM 0 HA SER A 83 -7.067 -1.428 7.148 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.940 0.551 8.685 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.390 -0.252 8.532 1.00 0.00 H new ATOM 0 HG SER A 83 -5.209 2.050 8.326 1.00 0.00 H new ATOM 1286 N ILE A 84 -7.558 1.015 5.054 1.00 0.00 N ATOM 1287 CA ILE A 84 -8.622 1.775 4.383 1.00 0.00 C ATOM 1288 C ILE A 84 -9.288 0.983 3.256 1.00 0.00 C ATOM 1289 O ILE A 84 -10.219 1.481 2.613 1.00 0.00 O ATOM 1290 CB ILE A 84 -8.136 3.136 3.829 1.00 0.00 C ATOM 1291 CG1 ILE A 84 -7.045 2.957 2.771 1.00 0.00 C ATOM 1292 CG2 ILE A 84 -7.639 4.021 4.964 1.00 0.00 C ATOM 1293 CD1 ILE A 84 -6.890 4.157 1.870 1.00 0.00 C ATOM 0 H ILE A 84 -6.637 1.094 4.623 1.00 0.00 H new ATOM 0 HA ILE A 84 -9.359 1.965 5.163 1.00 0.00 H new ATOM 0 HB ILE A 84 -8.985 3.622 3.347 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.095 2.758 3.268 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.277 2.082 2.164 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -7.300 4.975 4.560 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -8.449 4.194 5.672 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -6.811 3.528 5.474 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.101 3.966 1.142 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.828 4.343 1.347 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -6.629 5.030 2.468 1.00 0.00 H new ATOM 1305 N VAL A 85 -8.817 -0.245 3.013 1.00 0.00 N ATOM 1306 CA VAL A 85 -9.388 -1.077 1.951 1.00 0.00 C ATOM 1307 C VAL A 85 -9.874 -2.426 2.478 1.00 0.00 C ATOM 1308 O VAL A 85 -9.281 -3.002 3.395 1.00 0.00 O ATOM 1309 CB VAL A 85 -8.390 -1.300 0.787 1.00 0.00 C ATOM 1310 CG1 VAL A 85 -8.156 -0.004 0.024 1.00 0.00 C ATOM 1311 CG2 VAL A 85 -7.065 -1.865 1.289 1.00 0.00 C ATOM 0 H VAL A 85 -8.052 -0.679 3.530 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.247 -0.526 1.569 1.00 0.00 H new ATOM 0 HB VAL A 85 -8.832 -2.031 0.110 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -7.452 -0.182 -0.789 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -9.101 0.353 -0.386 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -7.747 0.747 0.700 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.388 -2.009 0.447 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -6.618 -1.169 1.998 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -7.241 -2.822 1.781 1.00 0.00 H new ATOM 1321 N ARG A 86 -10.960 -2.921 1.881 1.00 0.00 N ATOM 1322 CA ARG A 86 -11.544 -4.203 2.264 1.00 0.00 C ATOM 1323 C ARG A 86 -11.478 -5.176 1.092 1.00 0.00 C ATOM 1324 O ARG A 86 -12.205 -5.025 0.103 1.00 0.00 O ATOM 1325 CB ARG A 86 -12.995 -4.021 2.727 1.00 0.00 C ATOM 1326 CG ARG A 86 -13.625 -5.285 3.296 1.00 0.00 C ATOM 1327 CD ARG A 86 -15.045 -5.033 3.773 1.00 0.00 C ATOM 1328 NE ARG A 86 -15.662 -6.241 4.323 1.00 0.00 N ATOM 1329 CZ ARG A 86 -16.906 -6.297 4.810 1.00 0.00 C ATOM 1330 NH1 ARG A 86 -17.685 -5.218 4.824 1.00 0.00 N ATOM 1331 NH2 ARG A 86 -17.373 -7.442 5.288 1.00 0.00 N ATOM 0 H ARG A 86 -11.454 -2.447 1.125 1.00 0.00 H new ATOM 0 HA ARG A 86 -10.971 -4.612 3.096 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -13.029 -3.238 3.484 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -13.594 -3.676 1.884 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -13.629 -6.065 2.535 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -13.021 -5.652 4.126 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -15.039 -4.251 4.533 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -15.647 -4.665 2.942 1.00 0.00 H new ATOM 0 HE ARG A 86 -15.106 -7.096 4.336 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -17.335 -4.332 4.460 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -18.632 -5.277 5.199 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -16.784 -8.275 5.283 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -18.321 -7.490 5.661 1.00 0.00 H new ATOM 1345 N GLU A 87 -10.595 -6.166 1.215 1.00 0.00 N ATOM 1346 CA GLU A 87 -10.407 -7.175 0.181 1.00 0.00 C ATOM 1347 C GLU A 87 -11.482 -8.248 0.283 1.00 0.00 C ATOM 1348 O GLU A 87 -11.440 -9.109 1.167 1.00 0.00 O ATOM 1349 CB GLU A 87 -9.001 -7.790 0.277 1.00 0.00 C ATOM 1350 CG GLU A 87 -7.913 -6.914 -0.333 1.00 0.00 C ATOM 1351 CD GLU A 87 -7.595 -5.664 0.475 1.00 0.00 C ATOM 1352 OE1 GLU A 87 -7.921 -5.617 1.682 1.00 0.00 O ATOM 1353 OE2 GLU A 87 -6.981 -4.741 -0.097 1.00 0.00 O ATOM 0 H GLU A 87 -9.994 -6.289 2.030 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.499 -6.696 -0.794 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.764 -7.974 1.325 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.001 -8.758 -0.224 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.004 -7.505 -0.441 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -8.220 -6.617 -1.336 1.00 0.00 H new ATOM 1360 N ASP A 88 -12.459 -8.166 -0.620 1.00 0.00 N ATOM 1361 CA ASP A 88 -13.573 -9.105 -0.639 1.00 0.00 C ATOM 1362 C ASP A 88 -13.330 -10.273 -1.591 1.00 0.00 C ATOM 1363 O ASP A 88 -13.865 -11.364 -1.373 1.00 0.00 O ATOM 1364 CB ASP A 88 -14.878 -8.379 -1.000 1.00 0.00 C ATOM 1365 CG ASP A 88 -14.779 -7.562 -2.279 1.00 0.00 C ATOM 1366 OD1 ASP A 88 -14.631 -8.162 -3.365 1.00 0.00 O ATOM 1367 OD2 ASP A 88 -14.851 -6.318 -2.192 1.00 0.00 O ATOM 0 H ASP A 88 -12.498 -7.454 -1.350 1.00 0.00 H new ATOM 0 HA ASP A 88 -13.661 -9.522 0.364 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -15.676 -9.113 -1.107 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -15.159 -7.721 -0.178 1.00 0.00 H new ATOM 1372 N GLN A 89 -12.538 -10.053 -2.650 1.00 0.00 N ATOM 1373 CA GLN A 89 -12.273 -11.131 -3.615 1.00 0.00 C ATOM 1374 C GLN A 89 -10.852 -11.081 -4.179 1.00 0.00 C ATOM 1375 O GLN A 89 -10.406 -10.046 -4.669 1.00 0.00 O ATOM 1376 CB GLN A 89 -13.291 -11.073 -4.765 1.00 0.00 C ATOM 1377 CG GLN A 89 -13.229 -12.270 -5.707 1.00 0.00 C ATOM 1378 CD GLN A 89 -12.890 -11.881 -7.135 1.00 0.00 C ATOM 1379 OE1 GLN A 89 -11.743 -12.347 -7.619 1.00 0.00 O flip ATOM 1380 NE2 GLN A 89 -13.646 -11.166 -7.793 1.00 0.00 N flip ATOM 0 H GLN A 89 -12.081 -9.165 -2.858 1.00 0.00 H new ATOM 0 HA GLN A 89 -12.374 -12.072 -3.075 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -14.295 -11.005 -4.345 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -13.124 -10.162 -5.340 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -12.483 -12.976 -5.341 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -14.189 -12.786 -5.694 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -14.517 -10.830 -7.382 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -13.401 -10.909 -8.749 1.00 0.00 H new ATOM 1389 N THR A 90 -10.169 -12.232 -4.133 1.00 0.00 N ATOM 1390 CA THR A 90 -8.811 -12.362 -4.665 1.00 0.00 C ATOM 1391 C THR A 90 -8.890 -12.797 -6.129 1.00 0.00 C ATOM 1392 O THR A 90 -9.529 -13.802 -6.449 1.00 0.00 O ATOM 1393 CB THR A 90 -8.009 -13.377 -3.837 1.00 0.00 C ATOM 1394 OG1 THR A 90 -8.089 -13.069 -2.456 1.00 0.00 O ATOM 1395 CG2 THR A 90 -6.539 -13.440 -4.196 1.00 0.00 C ATOM 0 H THR A 90 -10.541 -13.092 -3.729 1.00 0.00 H new ATOM 0 HA THR A 90 -8.299 -11.402 -4.603 1.00 0.00 H new ATOM 0 HB THR A 90 -8.461 -14.342 -4.066 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.574 -13.727 -1.944 1.00 0.00 H new ATOM 0 HG21 THR A 90 -6.042 -14.179 -3.568 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.432 -13.723 -5.243 1.00 0.00 H new ATOM 0 HG23 THR A 90 -6.083 -12.463 -4.036 1.00 0.00 H new ATOM 1403 N LEU A 91 -8.262 -12.020 -7.011 1.00 0.00 N ATOM 1404 CA LEU A 91 -8.290 -12.288 -8.454 1.00 0.00 C ATOM 1405 C LEU A 91 -7.203 -13.272 -8.870 1.00 0.00 C ATOM 1406 O LEU A 91 -7.431 -14.128 -9.729 1.00 0.00 O ATOM 1407 CB LEU A 91 -8.085 -10.976 -9.225 1.00 0.00 C ATOM 1408 CG LEU A 91 -8.961 -9.794 -8.785 1.00 0.00 C ATOM 1409 CD1 LEU A 91 -8.309 -8.481 -9.176 1.00 0.00 C ATOM 1410 CD2 LEU A 91 -10.361 -9.892 -9.376 1.00 0.00 C ATOM 0 H LEU A 91 -7.723 -11.194 -6.752 1.00 0.00 H new ATOM 0 HA LEU A 91 -9.260 -12.727 -8.687 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -7.039 -10.682 -9.132 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.270 -11.166 -10.282 1.00 0.00 H new ATOM 0 HG LEU A 91 -9.055 -9.830 -7.700 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -8.941 -7.652 -8.858 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.335 -8.401 -8.694 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -8.182 -8.446 -10.258 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -10.956 -9.041 -9.045 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -10.298 -9.890 -10.464 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -10.833 -10.816 -9.042 1.00 0.00 H new ATOM 1422 N LYS A 92 -6.027 -13.138 -8.264 1.00 0.00 N ATOM 1423 CA LYS A 92 -4.890 -14.012 -8.577 1.00 0.00 C ATOM 1424 C LYS A 92 -3.907 -14.081 -7.391 1.00 0.00 C ATOM 1425 O LYS A 92 -3.601 -13.050 -6.795 1.00 0.00 O ATOM 1426 CB LYS A 92 -4.185 -13.513 -9.853 1.00 0.00 C ATOM 1427 CG LYS A 92 -3.318 -14.579 -10.529 1.00 0.00 C ATOM 1428 CD LYS A 92 -3.140 -14.344 -12.030 1.00 0.00 C ATOM 1429 CE LYS A 92 -4.434 -14.563 -12.807 1.00 0.00 C ATOM 1430 NZ LYS A 92 -4.250 -14.340 -14.268 1.00 0.00 N ATOM 0 H LYS A 92 -5.832 -12.434 -7.552 1.00 0.00 H new ATOM 0 HA LYS A 92 -5.260 -15.022 -8.755 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -4.937 -13.165 -10.561 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -3.562 -12.655 -9.602 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -2.338 -14.598 -10.052 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.769 -15.559 -10.372 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -2.786 -13.327 -12.197 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -2.371 -15.016 -12.412 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -4.792 -15.578 -12.637 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -5.202 -13.887 -12.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -5.152 -14.499 -14.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -3.933 -13.363 -14.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -3.536 -15.002 -14.633 1.00 0.00 H new ATOM 1444 N PRO A 93 -3.412 -15.302 -7.013 1.00 0.00 N ATOM 1445 CA PRO A 93 -2.478 -15.487 -5.878 1.00 0.00 C ATOM 1446 C PRO A 93 -1.227 -14.615 -5.939 1.00 0.00 C ATOM 1447 O PRO A 93 -0.553 -14.546 -6.969 1.00 0.00 O ATOM 1448 CB PRO A 93 -2.083 -16.959 -6.003 1.00 0.00 C ATOM 1449 CG PRO A 93 -3.272 -17.596 -6.606 1.00 0.00 C ATOM 1450 CD PRO A 93 -3.733 -16.610 -7.634 1.00 0.00 C ATOM 0 HA PRO A 93 -2.952 -15.205 -4.938 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -1.201 -17.084 -6.631 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -1.847 -17.393 -5.032 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -3.024 -18.556 -7.058 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.044 -17.785 -5.860 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -3.213 -16.744 -8.583 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.799 -16.709 -7.838 1.00 0.00 H new ATOM 1458 N GLY A 94 -0.917 -13.979 -4.807 1.00 0.00 N ATOM 1459 CA GLY A 94 0.262 -13.137 -4.701 1.00 0.00 C ATOM 1460 C GLY A 94 1.274 -13.742 -3.755 1.00 0.00 C ATOM 1461 O GLY A 94 1.393 -13.319 -2.602 1.00 0.00 O ATOM 0 H GLY A 94 -1.472 -14.036 -3.953 1.00 0.00 H new ATOM 0 HA2 GLY A 94 0.711 -13.007 -5.686 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -0.024 -12.146 -4.348 1.00 0.00 H new ATOM 1465 N LYS A 95 1.976 -14.756 -4.244 1.00 0.00 N ATOM 1466 CA LYS A 95 2.971 -15.478 -3.451 1.00 0.00 C ATOM 1467 C LYS A 95 4.363 -15.453 -4.097 1.00 0.00 C ATOM 1468 O LYS A 95 5.150 -16.393 -3.938 1.00 0.00 O ATOM 1469 CB LYS A 95 2.502 -16.923 -3.230 1.00 0.00 C ATOM 1470 CG LYS A 95 1.924 -17.569 -4.482 1.00 0.00 C ATOM 1471 CD LYS A 95 1.582 -19.041 -4.279 1.00 0.00 C ATOM 1472 CE LYS A 95 2.827 -19.914 -4.172 1.00 0.00 C ATOM 1473 NZ LYS A 95 2.483 -21.350 -3.976 1.00 0.00 N ATOM 0 H LYS A 95 1.875 -15.103 -5.198 1.00 0.00 H new ATOM 0 HA LYS A 95 3.063 -14.972 -2.490 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.343 -17.520 -2.877 1.00 0.00 H new ATOM 0 HB3 LYS A 95 1.749 -16.936 -2.442 1.00 0.00 H new ATOM 0 HG2 LYS A 95 1.026 -17.030 -4.783 1.00 0.00 H new ATOM 0 HG3 LYS A 95 2.640 -17.476 -5.298 1.00 0.00 H new ATOM 0 HD2 LYS A 95 0.984 -19.152 -3.374 1.00 0.00 H new ATOM 0 HD3 LYS A 95 0.968 -19.387 -5.111 1.00 0.00 H new ATOM 0 HE2 LYS A 95 3.426 -19.804 -5.076 1.00 0.00 H new ATOM 0 HE3 LYS A 95 3.441 -19.571 -3.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 3.357 -21.910 -3.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 1.933 -21.459 -3.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 1.919 -21.685 -4.783 1.00 0.00 H new ATOM 1487 N VAL A 96 4.665 -14.368 -4.816 1.00 0.00 N ATOM 1488 CA VAL A 96 5.966 -14.215 -5.477 1.00 0.00 C ATOM 1489 C VAL A 96 6.691 -12.971 -4.952 1.00 0.00 C ATOM 1490 O VAL A 96 6.206 -11.851 -5.110 1.00 0.00 O ATOM 1491 CB VAL A 96 5.815 -14.123 -7.020 1.00 0.00 C ATOM 1492 CG1 VAL A 96 7.177 -14.052 -7.705 1.00 0.00 C ATOM 1493 CG2 VAL A 96 5.014 -15.305 -7.557 1.00 0.00 C ATOM 0 H VAL A 96 4.028 -13.584 -4.956 1.00 0.00 H new ATOM 0 HA VAL A 96 6.557 -15.101 -5.245 1.00 0.00 H new ATOM 0 HB VAL A 96 5.273 -13.204 -7.245 1.00 0.00 H new ATOM 0 HG11 VAL A 96 7.039 -13.988 -8.784 1.00 0.00 H new ATOM 0 HG12 VAL A 96 7.715 -13.171 -7.355 1.00 0.00 H new ATOM 0 HG13 VAL A 96 7.752 -14.946 -7.465 1.00 0.00 H new ATOM 0 HG21 VAL A 96 4.921 -15.220 -8.640 1.00 0.00 H new ATOM 0 HG22 VAL A 96 5.526 -16.235 -7.309 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.021 -15.307 -7.106 1.00 0.00 H new ATOM 1503 N ASP A 97 7.850 -13.184 -4.323 1.00 0.00 N ATOM 1504 CA ASP A 97 8.647 -12.088 -3.763 1.00 0.00 C ATOM 1505 C ASP A 97 9.459 -11.388 -4.855 1.00 0.00 C ATOM 1506 O ASP A 97 10.302 -12.007 -5.509 1.00 0.00 O ATOM 1507 CB ASP A 97 9.581 -12.627 -2.668 1.00 0.00 C ATOM 1508 CG ASP A 97 10.281 -11.535 -1.865 1.00 0.00 C ATOM 1509 OD1 ASP A 97 9.978 -10.338 -2.068 1.00 0.00 O ATOM 1510 OD2 ASP A 97 11.131 -11.884 -1.018 1.00 0.00 O ATOM 0 H ASP A 97 8.259 -14.109 -4.188 1.00 0.00 H new ATOM 0 HA ASP A 97 7.968 -11.356 -3.326 1.00 0.00 H new ATOM 0 HB2 ASP A 97 9.004 -13.253 -1.987 1.00 0.00 H new ATOM 0 HB3 ASP A 97 10.334 -13.266 -3.128 1.00 0.00 H new ATOM 1515 N VAL A 98 9.192 -10.091 -5.040 1.00 0.00 N ATOM 1516 CA VAL A 98 9.887 -9.285 -6.048 1.00 0.00 C ATOM 1517 C VAL A 98 10.593 -8.101 -5.387 1.00 0.00 C ATOM 1518 O VAL A 98 9.980 -7.358 -4.620 1.00 0.00 O ATOM 1519 CB VAL A 98 8.915 -8.741 -7.130 1.00 0.00 C ATOM 1520 CG1 VAL A 98 9.685 -8.234 -8.345 1.00 0.00 C ATOM 1521 CG2 VAL A 98 7.896 -9.795 -7.542 1.00 0.00 C ATOM 0 H VAL A 98 8.496 -9.575 -4.502 1.00 0.00 H new ATOM 0 HA VAL A 98 10.613 -9.939 -6.530 1.00 0.00 H new ATOM 0 HB VAL A 98 8.371 -7.904 -6.693 1.00 0.00 H new ATOM 0 HG11 VAL A 98 8.983 -7.858 -9.089 1.00 0.00 H new ATOM 0 HG12 VAL A 98 10.357 -7.431 -8.041 1.00 0.00 H new ATOM 0 HG13 VAL A 98 10.266 -9.050 -8.774 1.00 0.00 H new ATOM 0 HG21 VAL A 98 7.231 -9.382 -8.300 1.00 0.00 H new ATOM 0 HG22 VAL A 98 8.415 -10.663 -7.948 1.00 0.00 H new ATOM 0 HG23 VAL A 98 7.312 -10.096 -6.672 1.00 0.00 H new ATOM 1531 N LYS A 99 11.879 -7.928 -5.696 1.00 0.00 N ATOM 1532 CA LYS A 99 12.669 -6.825 -5.141 1.00 0.00 C ATOM 1533 C LYS A 99 12.366 -5.527 -5.894 1.00 0.00 C ATOM 1534 O LYS A 99 11.868 -5.567 -7.022 1.00 0.00 O ATOM 1535 CB LYS A 99 14.166 -7.137 -5.245 1.00 0.00 C ATOM 1536 CG LYS A 99 14.574 -8.439 -4.582 1.00 0.00 C ATOM 1537 CD LYS A 99 16.042 -8.750 -4.823 1.00 0.00 C ATOM 1538 CE LYS A 99 16.444 -10.074 -4.194 1.00 0.00 C ATOM 1539 NZ LYS A 99 17.881 -10.385 -4.427 1.00 0.00 N ATOM 0 H LYS A 99 12.397 -8.538 -6.328 1.00 0.00 H new ATOM 0 HA LYS A 99 12.401 -6.704 -4.091 1.00 0.00 H new ATOM 0 HB2 LYS A 99 14.446 -7.174 -6.298 1.00 0.00 H new ATOM 0 HB3 LYS A 99 14.729 -6.320 -4.794 1.00 0.00 H new ATOM 0 HG2 LYS A 99 14.385 -8.378 -3.510 1.00 0.00 H new ATOM 0 HG3 LYS A 99 13.960 -9.253 -4.968 1.00 0.00 H new ATOM 0 HD2 LYS A 99 16.237 -8.782 -5.895 1.00 0.00 H new ATOM 0 HD3 LYS A 99 16.657 -7.949 -4.411 1.00 0.00 H new ATOM 0 HE2 LYS A 99 16.249 -10.041 -3.122 1.00 0.00 H new ATOM 0 HE3 LYS A 99 15.828 -10.873 -4.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 18.116 -11.296 -3.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 18.063 -10.442 -5.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 18.470 -9.635 -4.012 1.00 0.00 H new ATOM 1553 N THR A 100 12.670 -4.384 -5.273 1.00 0.00 N ATOM 1554 CA THR A 100 12.429 -3.081 -5.902 1.00 0.00 C ATOM 1555 C THR A 100 13.710 -2.537 -6.530 1.00 0.00 C ATOM 1556 O THR A 100 14.814 -2.910 -6.128 1.00 0.00 O ATOM 1557 CB THR A 100 11.880 -2.074 -4.885 1.00 0.00 C ATOM 1558 OG1 THR A 100 12.821 -1.835 -3.854 1.00 0.00 O ATOM 1559 CG2 THR A 100 10.587 -2.519 -4.234 1.00 0.00 C ATOM 0 H THR A 100 13.081 -4.333 -4.341 1.00 0.00 H new ATOM 0 HA THR A 100 11.686 -3.225 -6.686 1.00 0.00 H new ATOM 0 HB THR A 100 11.684 -1.168 -5.458 1.00 0.00 H new ATOM 0 HG1 THR A 100 12.861 -2.614 -3.260 1.00 0.00 H new ATOM 0 HG21 THR A 100 10.256 -1.759 -3.526 1.00 0.00 H new ATOM 0 HG22 THR A 100 9.824 -2.659 -4.999 1.00 0.00 H new ATOM 0 HG23 THR A 100 10.750 -3.459 -3.707 1.00 0.00 H new ATOM 1567 N ASP A 101 13.550 -1.655 -7.520 1.00 0.00 N ATOM 1568 CA ASP A 101 14.687 -1.052 -8.215 1.00 0.00 C ATOM 1569 C ASP A 101 14.797 0.442 -7.895 1.00 0.00 C ATOM 1570 O ASP A 101 14.086 0.950 -7.024 1.00 0.00 O ATOM 1571 CB ASP A 101 14.558 -1.269 -9.726 1.00 0.00 C ATOM 1572 CG ASP A 101 14.534 -2.739 -10.104 1.00 0.00 C ATOM 1573 OD1 ASP A 101 15.530 -3.442 -9.825 1.00 0.00 O ATOM 1574 OD2 ASP A 101 13.519 -3.187 -10.678 1.00 0.00 O ATOM 0 H ASP A 101 12.640 -1.343 -7.858 1.00 0.00 H new ATOM 0 HA ASP A 101 15.598 -1.538 -7.866 1.00 0.00 H new ATOM 0 HB2 ASP A 101 13.645 -0.791 -10.081 1.00 0.00 H new ATOM 0 HB3 ASP A 101 15.391 -0.781 -10.232 1.00 0.00 H new ATOM 1579 N LYS A 102 15.703 1.133 -8.598 1.00 0.00 N ATOM 1580 CA LYS A 102 15.932 2.560 -8.398 1.00 0.00 C ATOM 1581 C LYS A 102 14.776 3.394 -8.947 1.00 0.00 C ATOM 1582 O LYS A 102 14.350 4.370 -8.325 1.00 0.00 O ATOM 1583 CB LYS A 102 17.224 2.975 -9.091 1.00 0.00 C ATOM 1584 CG LYS A 102 17.792 4.292 -8.587 1.00 0.00 C ATOM 1585 CD LYS A 102 18.143 5.245 -9.724 1.00 0.00 C ATOM 1586 CE LYS A 102 16.936 6.056 -10.179 1.00 0.00 C ATOM 1587 NZ LYS A 102 16.418 6.938 -9.096 1.00 0.00 N ATOM 0 H LYS A 102 16.293 0.716 -9.318 1.00 0.00 H new ATOM 0 HA LYS A 102 16.006 2.740 -7.326 1.00 0.00 H new ATOM 0 HB2 LYS A 102 17.969 2.191 -8.952 1.00 0.00 H new ATOM 0 HB3 LYS A 102 17.042 3.054 -10.163 1.00 0.00 H new ATOM 0 HG2 LYS A 102 17.067 4.769 -7.927 1.00 0.00 H new ATOM 0 HG3 LYS A 102 18.684 4.096 -7.992 1.00 0.00 H new ATOM 0 HD2 LYS A 102 18.934 5.922 -9.399 1.00 0.00 H new ATOM 0 HD3 LYS A 102 18.536 4.676 -10.566 1.00 0.00 H new ATOM 0 HE2 LYS A 102 17.211 6.663 -11.041 1.00 0.00 H new ATOM 0 HE3 LYS A 102 16.146 5.379 -10.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 15.829 7.688 -9.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 15.846 6.376 -8.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 17.216 7.367 -8.586 1.00 0.00 H new ATOM 1601 N TRP A 103 14.295 3.009 -10.129 1.00 0.00 N ATOM 1602 CA TRP A 103 13.203 3.720 -10.801 1.00 0.00 C ATOM 1603 C TRP A 103 11.828 3.213 -10.342 1.00 0.00 C ATOM 1604 O TRP A 103 10.941 2.946 -11.162 1.00 0.00 O ATOM 1605 CB TRP A 103 13.339 3.584 -12.330 1.00 0.00 C ATOM 1606 CG TRP A 103 14.653 4.073 -12.879 1.00 0.00 C ATOM 1607 CD1 TRP A 103 15.835 3.388 -12.900 1.00 0.00 C ATOM 1608 CD2 TRP A 103 14.922 5.352 -13.475 1.00 0.00 C ATOM 1609 NE1 TRP A 103 16.818 4.157 -13.470 1.00 0.00 N ATOM 1610 CE2 TRP A 103 16.285 5.365 -13.832 1.00 0.00 C ATOM 1611 CE3 TRP A 103 14.146 6.485 -13.743 1.00 0.00 C ATOM 1612 CZ2 TRP A 103 16.885 6.464 -14.440 1.00 0.00 C ATOM 1613 CZ3 TRP A 103 14.744 7.575 -14.348 1.00 0.00 C ATOM 1614 CH2 TRP A 103 16.102 7.557 -14.691 1.00 0.00 C ATOM 0 H TRP A 103 14.646 2.203 -10.646 1.00 0.00 H new ATOM 0 HA TRP A 103 13.276 4.773 -10.527 1.00 0.00 H new ATOM 0 HB2 TRP A 103 13.211 2.537 -12.603 1.00 0.00 H new ATOM 0 HB3 TRP A 103 12.530 4.138 -12.806 1.00 0.00 H new ATOM 0 HD1 TRP A 103 15.975 2.386 -12.522 1.00 0.00 H new ATOM 0 HE1 TRP A 103 17.789 3.874 -13.603 1.00 0.00 H new ATOM 0 HE3 TRP A 103 13.098 6.508 -13.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 17.932 6.454 -14.704 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 14.154 8.455 -14.560 1.00 0.00 H new ATOM 0 HH2 TRP A 103 16.540 8.424 -15.163 1.00 0.00 H new ATOM 1625 N ASP A 104 11.654 3.093 -9.024 1.00 0.00 N ATOM 1626 CA ASP A 104 10.394 2.633 -8.441 1.00 0.00 C ATOM 1627 C ASP A 104 9.867 3.637 -7.419 1.00 0.00 C ATOM 1628 O ASP A 104 8.655 3.776 -7.244 1.00 0.00 O ATOM 1629 CB ASP A 104 10.572 1.259 -7.783 1.00 0.00 C ATOM 1630 CG ASP A 104 10.684 0.135 -8.796 1.00 0.00 C ATOM 1631 OD1 ASP A 104 11.618 0.164 -9.622 1.00 0.00 O ATOM 1632 OD2 ASP A 104 9.830 -0.777 -8.763 1.00 0.00 O ATOM 0 H ASP A 104 12.376 3.310 -8.337 1.00 0.00 H new ATOM 0 HA ASP A 104 9.666 2.545 -9.247 1.00 0.00 H new ATOM 0 HB2 ASP A 104 11.467 1.272 -7.160 1.00 0.00 H new ATOM 0 HB3 ASP A 104 9.727 1.065 -7.123 1.00 0.00 H new ATOM 1637 N PHE A 105 10.790 4.331 -6.748 1.00 0.00 N ATOM 1638 CA PHE A 105 10.430 5.328 -5.738 1.00 0.00 C ATOM 1639 C PHE A 105 10.838 6.737 -6.178 1.00 0.00 C ATOM 1640 O PHE A 105 10.606 7.711 -5.458 1.00 0.00 O ATOM 1641 CB PHE A 105 11.083 4.994 -4.386 1.00 0.00 C ATOM 1642 CG PHE A 105 10.539 3.756 -3.710 1.00 0.00 C ATOM 1643 CD1 PHE A 105 10.899 2.484 -4.141 1.00 0.00 C ATOM 1644 CD2 PHE A 105 9.669 3.870 -2.638 1.00 0.00 C ATOM 1645 CE1 PHE A 105 10.401 1.358 -3.516 1.00 0.00 C ATOM 1646 CE2 PHE A 105 9.169 2.745 -2.010 1.00 0.00 C ATOM 1647 CZ PHE A 105 9.535 1.489 -2.448 1.00 0.00 C ATOM 0 H PHE A 105 11.794 4.220 -6.887 1.00 0.00 H new ATOM 0 HA PHE A 105 9.346 5.303 -5.624 1.00 0.00 H new ATOM 0 HB2 PHE A 105 12.155 4.867 -4.537 1.00 0.00 H new ATOM 0 HB3 PHE A 105 10.954 5.844 -3.716 1.00 0.00 H new ATOM 0 HD1 PHE A 105 11.577 2.375 -4.975 1.00 0.00 H new ATOM 0 HD2 PHE A 105 9.378 4.850 -2.289 1.00 0.00 H new ATOM 0 HE1 PHE A 105 10.688 0.376 -3.862 1.00 0.00 H new ATOM 0 HE2 PHE A 105 8.491 2.849 -1.176 1.00 0.00 H new ATOM 0 HZ PHE A 105 9.145 0.610 -1.957 1.00 0.00 H new ATOM 1657 N TYR A 106 11.442 6.834 -7.366 1.00 0.00 N ATOM 1658 CA TYR A 106 11.880 8.119 -7.911 1.00 0.00 C ATOM 1659 C TYR A 106 10.758 8.756 -8.734 1.00 0.00 C ATOM 1660 O TYR A 106 10.309 8.190 -9.735 1.00 0.00 O ATOM 1661 CB TYR A 106 13.150 7.920 -8.764 1.00 0.00 C ATOM 1662 CG TYR A 106 13.730 9.183 -9.394 1.00 0.00 C ATOM 1663 CD1 TYR A 106 13.928 10.354 -8.658 1.00 0.00 C ATOM 1664 CD2 TYR A 106 14.088 9.192 -10.737 1.00 0.00 C ATOM 1665 CE1 TYR A 106 14.460 11.485 -9.247 1.00 0.00 C ATOM 1666 CE2 TYR A 106 14.622 10.321 -11.329 1.00 0.00 C ATOM 1667 CZ TYR A 106 14.804 11.463 -10.580 1.00 0.00 C ATOM 1668 OH TYR A 106 15.335 12.589 -11.168 1.00 0.00 O ATOM 0 H TYR A 106 11.638 6.035 -7.969 1.00 0.00 H new ATOM 0 HA TYR A 106 12.119 8.795 -7.090 1.00 0.00 H new ATOM 0 HB2 TYR A 106 13.917 7.463 -8.139 1.00 0.00 H new ATOM 0 HB3 TYR A 106 12.923 7.211 -9.560 1.00 0.00 H new ATOM 0 HD1 TYR A 106 13.661 10.375 -7.612 1.00 0.00 H new ATOM 0 HD2 TYR A 106 13.946 8.300 -11.329 1.00 0.00 H new ATOM 0 HE1 TYR A 106 14.605 12.383 -8.664 1.00 0.00 H new ATOM 0 HE2 TYR A 106 14.895 10.308 -12.374 1.00 0.00 H new ATOM 0 HH TYR A 106 15.524 12.407 -12.112 1.00 0.00 H new ATOM 1678 N CYS A 107 10.307 9.929 -8.288 1.00 0.00 N ATOM 1679 CA CYS A 107 9.228 10.655 -8.955 1.00 0.00 C ATOM 1680 C CYS A 107 9.689 12.047 -9.385 1.00 0.00 C ATOM 1681 O CYS A 107 10.457 12.700 -8.676 1.00 0.00 O ATOM 1682 CB CYS A 107 8.027 10.769 -8.013 1.00 0.00 C ATOM 1683 SG CYS A 107 6.539 11.507 -8.763 1.00 0.00 S ATOM 0 H CYS A 107 10.676 10.399 -7.461 1.00 0.00 H new ATOM 0 HA CYS A 107 8.939 10.102 -9.849 1.00 0.00 H new ATOM 0 HB2 CYS A 107 7.776 9.775 -7.644 1.00 0.00 H new ATOM 0 HB3 CYS A 107 8.316 11.366 -7.148 1.00 0.00 H new ATOM 1688 N GLN A 108 9.204 12.493 -10.548 1.00 0.00 N ATOM 1689 CA GLN A 108 9.551 13.811 -11.080 1.00 0.00 C ATOM 1690 C GLN A 108 8.295 14.642 -11.326 1.00 0.00 C ATOM 1691 O GLN A 108 8.358 15.875 -11.142 1.00 0.00 O ATOM 1692 CB GLN A 108 10.353 13.680 -12.379 1.00 0.00 C ATOM 1693 CG GLN A 108 11.737 13.079 -12.187 1.00 0.00 C ATOM 1694 CD GLN A 108 12.522 12.992 -13.484 1.00 0.00 C ATOM 1695 OE1 GLN A 108 12.113 12.315 -14.428 1.00 0.00 O ATOM 1696 NE2 GLN A 108 13.656 13.681 -13.535 1.00 0.00 N ATOM 1697 OXT GLN A 108 7.261 14.052 -11.702 1.00 0.00 O ATOM 0 H GLN A 108 8.568 11.958 -11.139 1.00 0.00 H new ATOM 0 HA GLN A 108 10.168 14.319 -10.338 1.00 0.00 H new ATOM 0 HB2 GLN A 108 9.793 13.062 -13.080 1.00 0.00 H new ATOM 0 HB3 GLN A 108 10.455 14.666 -12.833 1.00 0.00 H new ATOM 0 HG2 GLN A 108 12.294 13.681 -11.469 1.00 0.00 H new ATOM 0 HG3 GLN A 108 11.639 12.082 -11.758 1.00 0.00 H new ATOM 0 HE21 GLN A 108 13.957 14.229 -12.729 1.00 0.00 H new ATOM 0 HE22 GLN A 108 14.226 13.663 -14.380 1.00 0.00 H new TER 1706 GLN A 108