USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 672 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 28 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 29 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 17 HIS :FLIP no HD1:sc= -0.71 F(o=-4.1,f=-3.2) USER MOD Set 2.2: A 81 GLN : amide:sc= -2.54! C(o=-3.2!,f=-6!) USER MOD Set 3.1: A 16 ASN : amide:sc= -5.18! C(o=-5.2!,f=-17!) USER MOD Set 3.2: A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -116:sc= 0.0337 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -48:sc= 0.308 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl -110:sc= -3.01! (180deg=-6.4!) USER MOD Single : A 31 GLN : amide:sc= -0.0596 X(o=-0.06,f=-0.56) USER MOD Single : A 35 SER OG : rot -39:sc= 1.13 USER MOD Single : A 36 LYS NZ :NH3+ -158:sc= 1.24 (180deg=1.02) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.173 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.445 K(o=-0.44,f=-1.7!) USER MOD Single : A 67 THR OG1 : rot -27:sc= 1.2 USER MOD Single : A 71 ASN : amide:sc= -0.49 X(o=-0.49,f=-0.032) USER MOD Single : A 72 THR OG1 : rot 85:sc= 0.786 USER MOD Single : A 73 HIS :FLIP no HD1:sc= -1.01 F(o=-2.5!,f=-1) USER MOD Single : A 75 MET CE :methyl -129:sc= -2.14 (180deg=-5.32!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 MET CE :methyl 153:sc= -0.247 (180deg=-1.08) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -58:sc= 0.0016 USER MOD Single : A 90 SER OG : rot -94:sc= 0.0935 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.351 16.844 13.449 1.00 0.00 N ATOM 2 CA GLY A 1 -4.389 16.511 12.415 1.00 0.00 C ATOM 3 C GLY A 1 -3.403 17.633 12.159 1.00 0.00 C ATOM 4 O GLY A 1 -2.747 18.116 13.081 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.003 16.045 13.587 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.850 17.040 14.339 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.891 17.686 13.163 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.845 15.612 12.705 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.919 16.279 11.491 1.00 0.00 H new ATOM 8 N SER A 2 -3.295 18.048 10.900 1.00 0.00 N ATOM 9 CA SER A 2 -2.377 19.117 10.523 1.00 0.00 C ATOM 10 C SER A 2 -0.930 18.701 10.771 1.00 0.00 C ATOM 11 O SER A 2 -0.120 19.492 11.254 1.00 0.00 O ATOM 12 CB SER A 2 -2.695 20.391 11.308 1.00 0.00 C ATOM 13 OG SER A 2 -4.011 20.842 11.036 1.00 0.00 O ATOM 0 H SER A 2 -3.832 17.660 10.124 1.00 0.00 H new ATOM 0 HA SER A 2 -2.504 19.314 9.458 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.586 20.201 12.376 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.979 21.171 11.048 1.00 0.00 H new ATOM 0 HG SER A 2 -4.191 21.656 11.551 1.00 0.00 H new ATOM 19 N SER A 3 -0.612 17.455 10.435 1.00 0.00 N ATOM 20 CA SER A 3 0.736 16.931 10.624 1.00 0.00 C ATOM 21 C SER A 3 1.554 17.066 9.343 1.00 0.00 C ATOM 22 O SER A 3 1.003 17.187 8.250 1.00 0.00 O ATOM 23 CB SER A 3 0.680 15.466 11.057 1.00 0.00 C ATOM 24 OG SER A 3 0.242 14.636 9.993 1.00 0.00 O ATOM 0 H SER A 3 -1.270 16.789 10.030 1.00 0.00 H new ATOM 0 HA SER A 3 1.221 17.514 11.407 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.666 15.144 11.391 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.005 15.360 11.907 1.00 0.00 H new ATOM 0 HG SER A 3 0.216 13.704 10.295 1.00 0.00 H new ATOM 30 N GLY A 4 2.876 17.043 9.488 1.00 0.00 N ATOM 31 CA GLY A 4 3.751 17.164 8.336 1.00 0.00 C ATOM 32 C GLY A 4 4.510 15.884 8.050 1.00 0.00 C ATOM 33 O GLY A 4 3.910 14.843 7.780 1.00 0.00 O ATOM 0 H GLY A 4 3.356 16.943 10.382 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.160 17.436 7.461 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.461 17.974 8.506 1.00 0.00 H new ATOM 37 N SER A 5 5.837 15.959 8.106 1.00 0.00 N ATOM 38 CA SER A 5 6.680 14.800 7.845 1.00 0.00 C ATOM 39 C SER A 5 7.997 14.902 8.609 1.00 0.00 C ATOM 40 O SER A 5 8.396 15.985 9.038 1.00 0.00 O ATOM 41 CB SER A 5 6.956 14.670 6.345 1.00 0.00 C ATOM 42 OG SER A 5 7.592 13.439 6.047 1.00 0.00 O ATOM 0 H SER A 5 6.350 16.812 8.330 1.00 0.00 H new ATOM 0 HA SER A 5 6.149 13.912 8.188 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.019 14.742 5.792 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.585 15.497 6.015 1.00 0.00 H new ATOM 0 HG SER A 5 8.487 13.612 5.687 1.00 0.00 H new ATOM 48 N SER A 6 8.668 13.767 8.774 1.00 0.00 N ATOM 49 CA SER A 6 9.939 13.728 9.489 1.00 0.00 C ATOM 50 C SER A 6 11.106 13.583 8.516 1.00 0.00 C ATOM 51 O SER A 6 12.138 14.234 8.667 1.00 0.00 O ATOM 52 CB SER A 6 9.949 12.570 10.490 1.00 0.00 C ATOM 53 OG SER A 6 9.301 12.935 11.696 1.00 0.00 O ATOM 0 H SER A 6 8.353 12.863 8.423 1.00 0.00 H new ATOM 0 HA SER A 6 10.053 14.668 10.029 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.452 11.703 10.054 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.977 12.275 10.700 1.00 0.00 H new ATOM 0 HG SER A 6 9.319 12.179 12.319 1.00 0.00 H new ATOM 59 N GLY A 7 10.932 12.723 7.517 1.00 0.00 N ATOM 60 CA GLY A 7 11.977 12.507 6.534 1.00 0.00 C ATOM 61 C GLY A 7 11.425 12.144 5.170 1.00 0.00 C ATOM 62 O GLY A 7 10.273 12.435 4.846 1.00 0.00 O ATOM 0 H GLY A 7 10.086 12.172 7.371 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.583 13.409 6.449 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.637 11.711 6.879 1.00 0.00 H new ATOM 66 N PRO A 8 12.257 11.495 4.343 1.00 0.00 N ATOM 67 CA PRO A 8 11.867 11.079 2.993 1.00 0.00 C ATOM 68 C PRO A 8 10.843 9.948 3.007 1.00 0.00 C ATOM 69 O PRO A 8 10.395 9.518 4.069 1.00 0.00 O ATOM 70 CB PRO A 8 13.184 10.600 2.375 1.00 0.00 C ATOM 71 CG PRO A 8 14.021 10.193 3.537 1.00 0.00 C ATOM 72 CD PRO A 8 13.644 11.115 4.663 1.00 0.00 C ATOM 0 HA PRO A 8 11.389 11.888 2.440 1.00 0.00 H new ATOM 0 HB2 PRO A 8 13.021 9.766 1.693 1.00 0.00 H new ATOM 0 HB3 PRO A 8 13.663 11.393 1.800 1.00 0.00 H new ATOM 0 HG2 PRO A 8 13.836 9.153 3.806 1.00 0.00 H new ATOM 0 HG3 PRO A 8 15.082 10.278 3.302 1.00 0.00 H new ATOM 0 HD2 PRO A 8 13.711 10.617 5.630 1.00 0.00 H new ATOM 0 HD3 PRO A 8 14.299 11.985 4.707 1.00 0.00 H new ATOM 80 N ALA A 9 10.477 9.473 1.822 1.00 0.00 N ATOM 81 CA ALA A 9 9.507 8.392 1.698 1.00 0.00 C ATOM 82 C ALA A 9 9.599 7.725 0.330 1.00 0.00 C ATOM 83 O ALA A 9 10.192 8.273 -0.599 1.00 0.00 O ATOM 84 CB ALA A 9 8.099 8.915 1.939 1.00 0.00 C ATOM 0 H ALA A 9 10.838 9.820 0.933 1.00 0.00 H new ATOM 0 HA ALA A 9 9.738 7.642 2.455 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.385 8.097 1.843 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.034 9.337 2.942 1.00 0.00 H new ATOM 0 HB3 ALA A 9 7.867 9.687 1.205 1.00 0.00 H new ATOM 90 N ARG A 10 9.008 6.541 0.213 1.00 0.00 N ATOM 91 CA ARG A 10 9.025 5.799 -1.042 1.00 0.00 C ATOM 92 C ARG A 10 7.653 5.826 -1.708 1.00 0.00 C ATOM 93 O ARG A 10 6.615 5.769 -1.049 1.00 0.00 O ATOM 94 CB ARG A 10 9.457 4.352 -0.798 1.00 0.00 C ATOM 95 CG ARG A 10 10.895 4.216 -0.327 1.00 0.00 C ATOM 96 CD ARG A 10 11.869 4.251 -1.493 1.00 0.00 C ATOM 97 NE ARG A 10 13.217 3.854 -1.094 1.00 0.00 N ATOM 98 CZ ARG A 10 14.308 4.154 -1.789 1.00 0.00 C ATOM 99 NH1 ARG A 10 14.212 4.852 -2.912 1.00 0.00 N ATOM 100 NH2 ARG A 10 15.500 3.757 -1.359 1.00 0.00 N ATOM 0 H ARG A 10 8.511 6.075 0.972 1.00 0.00 H new ATOM 0 HA ARG A 10 9.743 6.278 -1.708 1.00 0.00 H new ATOM 0 HB2 ARG A 10 8.797 3.905 -0.055 1.00 0.00 H new ATOM 0 HB3 ARG A 10 9.330 3.784 -1.720 1.00 0.00 H new ATOM 0 HG2 ARG A 10 11.129 5.022 0.368 1.00 0.00 H new ATOM 0 HG3 ARG A 10 11.013 3.280 0.219 1.00 0.00 H new ATOM 0 HD2 ARG A 10 11.514 3.587 -2.281 1.00 0.00 H new ATOM 0 HD3 ARG A 10 11.897 5.257 -1.912 1.00 0.00 H new ATOM 0 HE ARG A 10 13.326 3.317 -0.234 1.00 0.00 H new ATOM 0 HH11 ARG A 10 13.298 5.160 -3.244 1.00 0.00 H new ATOM 0 HH12 ARG A 10 15.052 5.081 -3.444 1.00 0.00 H new ATOM 0 HH21 ARG A 10 15.578 3.221 -0.494 1.00 0.00 H new ATOM 0 HH22 ARG A 10 16.338 3.988 -1.893 1.00 0.00 H new ATOM 114 N PRO A 11 7.646 5.917 -3.047 1.00 0.00 N ATOM 115 CA PRO A 11 6.409 5.953 -3.832 1.00 0.00 C ATOM 116 C PRO A 11 5.675 4.617 -3.821 1.00 0.00 C ATOM 117 O PRO A 11 6.298 3.555 -3.791 1.00 0.00 O ATOM 118 CB PRO A 11 6.895 6.285 -5.245 1.00 0.00 C ATOM 119 CG PRO A 11 8.302 5.798 -5.286 1.00 0.00 C ATOM 120 CD PRO A 11 8.847 5.989 -3.897 1.00 0.00 C ATOM 0 HA PRO A 11 5.694 6.672 -3.432 1.00 0.00 H new ATOM 0 HB2 PRO A 11 6.283 5.792 -6.000 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.841 7.356 -5.441 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.344 4.749 -5.581 1.00 0.00 H new ATOM 0 HG3 PRO A 11 8.888 6.358 -6.015 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.569 5.215 -3.639 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.356 6.947 -3.793 1.00 0.00 H new ATOM 128 N PHE A 12 4.348 4.676 -3.845 1.00 0.00 N ATOM 129 CA PHE A 12 3.529 3.469 -3.837 1.00 0.00 C ATOM 130 C PHE A 12 2.178 3.724 -4.500 1.00 0.00 C ATOM 131 O PHE A 12 1.674 4.847 -4.493 1.00 0.00 O ATOM 132 CB PHE A 12 3.321 2.977 -2.403 1.00 0.00 C ATOM 133 CG PHE A 12 4.603 2.665 -1.685 1.00 0.00 C ATOM 134 CD1 PHE A 12 5.486 1.726 -2.193 1.00 0.00 C ATOM 135 CD2 PHE A 12 4.924 3.310 -0.501 1.00 0.00 C ATOM 136 CE1 PHE A 12 6.666 1.437 -1.534 1.00 0.00 C ATOM 137 CE2 PHE A 12 6.104 3.025 0.161 1.00 0.00 C ATOM 138 CZ PHE A 12 6.975 2.087 -0.355 1.00 0.00 C ATOM 0 H PHE A 12 3.817 5.546 -3.870 1.00 0.00 H new ATOM 0 HA PHE A 12 4.054 2.701 -4.405 1.00 0.00 H new ATOM 0 HB2 PHE A 12 2.775 3.736 -1.842 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.697 2.084 -2.421 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.250 1.214 -3.114 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.245 4.043 -0.091 1.00 0.00 H new ATOM 0 HE1 PHE A 12 7.346 0.703 -1.941 1.00 0.00 H new ATOM 0 HE2 PHE A 12 6.344 3.536 1.082 1.00 0.00 H new ATOM 0 HZ PHE A 12 7.896 1.862 0.162 1.00 0.00 H new ATOM 148 N ARG A 13 1.598 2.673 -5.071 1.00 0.00 N ATOM 149 CA ARG A 13 0.308 2.783 -5.739 1.00 0.00 C ATOM 150 C ARG A 13 -0.776 2.049 -4.955 1.00 0.00 C ATOM 151 O ARG A 13 -0.526 0.997 -4.367 1.00 0.00 O ATOM 152 CB ARG A 13 0.395 2.218 -7.159 1.00 0.00 C ATOM 153 CG ARG A 13 0.876 3.229 -8.188 1.00 0.00 C ATOM 154 CD ARG A 13 2.393 3.246 -8.284 1.00 0.00 C ATOM 155 NE ARG A 13 2.887 4.461 -8.926 1.00 0.00 N ATOM 156 CZ ARG A 13 2.973 4.615 -10.242 1.00 0.00 C ATOM 157 NH1 ARG A 13 2.601 3.634 -11.052 1.00 0.00 N ATOM 158 NH2 ARG A 13 3.434 5.752 -10.750 1.00 0.00 N ATOM 0 H ARG A 13 2.001 1.736 -5.084 1.00 0.00 H new ATOM 0 HA ARG A 13 0.043 3.839 -5.790 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.070 1.362 -7.160 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.587 1.850 -7.455 1.00 0.00 H new ATOM 0 HG2 ARG A 13 0.451 2.988 -9.163 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.516 4.222 -7.920 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.820 3.165 -7.285 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.730 2.376 -8.847 1.00 0.00 H new ATOM 0 HE ARG A 13 3.182 5.234 -8.330 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.248 2.759 -10.665 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.668 3.754 -12.063 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.722 6.508 -10.129 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.500 5.869 -11.761 1.00 0.00 H new ATOM 172 N VAL A 14 -1.980 2.612 -4.949 1.00 0.00 N ATOM 173 CA VAL A 14 -3.102 2.012 -4.237 1.00 0.00 C ATOM 174 C VAL A 14 -4.312 1.856 -5.150 1.00 0.00 C ATOM 175 O VAL A 14 -4.600 2.728 -5.971 1.00 0.00 O ATOM 176 CB VAL A 14 -3.502 2.852 -3.010 1.00 0.00 C ATOM 177 CG1 VAL A 14 -4.462 2.076 -2.122 1.00 0.00 C ATOM 178 CG2 VAL A 14 -2.268 3.279 -2.230 1.00 0.00 C ATOM 0 H VAL A 14 -2.203 3.483 -5.430 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.775 1.028 -3.902 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.012 3.751 -3.358 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.734 2.685 -1.260 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -5.360 1.827 -2.688 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.982 1.159 -1.781 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.570 3.872 -1.367 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.727 2.395 -1.892 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.621 3.877 -2.872 1.00 0.00 H new ATOM 188 N SER A 15 -5.018 0.739 -5.002 1.00 0.00 N ATOM 189 CA SER A 15 -6.197 0.467 -5.817 1.00 0.00 C ATOM 190 C SER A 15 -7.324 -0.109 -4.965 1.00 0.00 C ATOM 191 O SER A 15 -7.101 -0.984 -4.130 1.00 0.00 O ATOM 192 CB SER A 15 -5.849 -0.505 -6.947 1.00 0.00 C ATOM 193 OG SER A 15 -5.365 0.189 -8.084 1.00 0.00 O ATOM 0 H SER A 15 -4.794 0.009 -4.326 1.00 0.00 H new ATOM 0 HA SER A 15 -6.535 1.409 -6.249 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.097 -1.214 -6.602 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.732 -1.084 -7.218 1.00 0.00 H new ATOM 0 HG SER A 15 -5.960 0.941 -8.286 1.00 0.00 H new ATOM 199 N ASN A 16 -8.536 0.391 -5.182 1.00 0.00 N ATOM 200 CA ASN A 16 -9.700 -0.073 -4.435 1.00 0.00 C ATOM 201 C ASN A 16 -9.997 -1.537 -4.744 1.00 0.00 C ATOM 202 O ASN A 16 -9.399 -2.126 -5.645 1.00 0.00 O ATOM 203 CB ASN A 16 -10.921 0.788 -4.767 1.00 0.00 C ATOM 204 CG ASN A 16 -11.327 0.678 -6.223 1.00 0.00 C ATOM 205 OD1 ASN A 16 -11.167 -0.372 -6.847 1.00 0.00 O ATOM 206 ND2 ASN A 16 -11.857 1.765 -6.773 1.00 0.00 N ATOM 0 H ASN A 16 -8.738 1.117 -5.869 1.00 0.00 H new ATOM 0 HA ASN A 16 -9.478 0.017 -3.372 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -11.757 0.487 -4.136 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -10.703 1.830 -4.531 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -12.150 1.751 -7.750 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -11.971 2.613 -6.218 1.00 0.00 H new ATOM 213 N HIS A 17 -10.924 -2.118 -3.990 1.00 0.00 N ATOM 214 CA HIS A 17 -11.302 -3.513 -4.183 1.00 0.00 C ATOM 215 C HIS A 17 -11.708 -3.771 -5.631 1.00 0.00 C ATOM 216 O HIS A 17 -11.378 -4.809 -6.204 1.00 0.00 O ATOM 217 CB HIS A 17 -12.450 -3.888 -3.245 1.00 0.00 C ATOM 218 CG HIS A 17 -13.699 -3.096 -3.481 1.00 0.00 C ATOM 219 ND1 HIS A 17 -14.059 -1.863 -3.052 1.00 0.00 N flip ATOM 220 CD2 HIS A 17 -14.753 -3.561 -4.237 1.00 0.00 C flip ATOM 221 CE1 HIS A 17 -15.311 -1.609 -3.554 1.00 0.00 C flip ATOM 222 NE2 HIS A 17 -15.708 -2.648 -4.266 1.00 0.00 N flip ATOM 0 H HIS A 17 -11.427 -1.645 -3.240 1.00 0.00 H new ATOM 0 HA HIS A 17 -10.436 -4.133 -3.951 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -12.674 -4.948 -3.364 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -12.128 -3.744 -2.214 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -14.792 -4.522 -4.729 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -15.880 -0.705 -3.393 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -16.599 -2.732 -4.755 1.00 0.00 H new ATOM 231 N ASP A 18 -12.428 -2.820 -6.216 1.00 0.00 N ATOM 232 CA ASP A 18 -12.881 -2.943 -7.597 1.00 0.00 C ATOM 233 C ASP A 18 -11.763 -2.576 -8.569 1.00 0.00 C ATOM 234 O ASP A 18 -11.998 -2.409 -9.766 1.00 0.00 O ATOM 235 CB ASP A 18 -14.098 -2.050 -7.840 1.00 0.00 C ATOM 236 CG ASP A 18 -14.769 -2.335 -9.169 1.00 0.00 C ATOM 237 OD1 ASP A 18 -15.663 -3.207 -9.208 1.00 0.00 O ATOM 238 OD2 ASP A 18 -14.401 -1.686 -10.170 1.00 0.00 O ATOM 0 H ASP A 18 -12.711 -1.955 -5.755 1.00 0.00 H new ATOM 0 HA ASP A 18 -13.163 -3.982 -7.770 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -14.818 -2.195 -7.034 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -13.790 -1.005 -7.808 1.00 0.00 H new ATOM 243 N ARG A 19 -10.548 -2.452 -8.046 1.00 0.00 N ATOM 244 CA ARG A 19 -9.395 -2.102 -8.867 1.00 0.00 C ATOM 245 C ARG A 19 -9.788 -1.120 -9.967 1.00 0.00 C ATOM 246 O ARG A 19 -9.415 -1.292 -11.128 1.00 0.00 O ATOM 247 CB ARG A 19 -8.782 -3.360 -9.486 1.00 0.00 C ATOM 248 CG ARG A 19 -8.041 -4.231 -8.485 1.00 0.00 C ATOM 249 CD ARG A 19 -7.148 -5.245 -9.183 1.00 0.00 C ATOM 250 NE ARG A 19 -5.891 -4.650 -9.632 1.00 0.00 N ATOM 251 CZ ARG A 19 -4.830 -5.361 -9.997 1.00 0.00 C ATOM 252 NH1 ARG A 19 -4.874 -6.686 -9.966 1.00 0.00 N ATOM 253 NH2 ARG A 19 -3.723 -4.747 -10.394 1.00 0.00 N ATOM 0 H ARG A 19 -10.336 -2.589 -7.058 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.655 -1.624 -8.225 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.573 -3.948 -9.951 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.094 -3.067 -10.279 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.437 -3.602 -7.831 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.760 -4.752 -7.852 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.936 -6.070 -8.503 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -7.676 -5.665 -10.039 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.825 -3.633 -9.667 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.724 -7.161 -9.661 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -4.058 -7.230 -10.247 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.686 -3.728 -10.419 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.909 -5.294 -10.674 1.00 0.00 H new ATOM 267 N SER A 20 -10.545 -0.094 -9.595 1.00 0.00 N ATOM 268 CA SER A 20 -10.993 0.912 -10.550 1.00 0.00 C ATOM 269 C SER A 20 -10.312 2.251 -10.288 1.00 0.00 C ATOM 270 O SER A 20 -10.054 3.022 -11.214 1.00 0.00 O ATOM 271 CB SER A 20 -12.512 1.076 -10.476 1.00 0.00 C ATOM 272 OG SER A 20 -13.033 1.569 -11.698 1.00 0.00 O ATOM 0 H SER A 20 -10.861 0.063 -8.638 1.00 0.00 H new ATOM 0 HA SER A 20 -10.720 0.575 -11.550 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.973 0.117 -10.241 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.768 1.759 -9.666 1.00 0.00 H new ATOM 0 HG SER A 20 -14.006 1.663 -11.625 1.00 0.00 H new ATOM 278 N SER A 21 -10.024 2.524 -9.019 1.00 0.00 N ATOM 279 CA SER A 21 -9.377 3.772 -8.633 1.00 0.00 C ATOM 280 C SER A 21 -7.859 3.615 -8.615 1.00 0.00 C ATOM 281 O SER A 21 -7.341 2.499 -8.559 1.00 0.00 O ATOM 282 CB SER A 21 -9.870 4.223 -7.257 1.00 0.00 C ATOM 283 OG SER A 21 -11.116 4.890 -7.355 1.00 0.00 O ATOM 0 H SER A 21 -10.229 1.897 -8.241 1.00 0.00 H new ATOM 0 HA SER A 21 -9.638 4.530 -9.371 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.968 3.358 -6.601 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.134 4.886 -6.803 1.00 0.00 H new ATOM 0 HG SER A 21 -11.410 5.167 -6.462 1.00 0.00 H new ATOM 289 N ARG A 22 -7.153 4.739 -8.664 1.00 0.00 N ATOM 290 CA ARG A 22 -5.695 4.726 -8.654 1.00 0.00 C ATOM 291 C ARG A 22 -5.147 5.885 -7.825 1.00 0.00 C ATOM 292 O ARG A 22 -5.313 7.051 -8.185 1.00 0.00 O ATOM 293 CB ARG A 22 -5.154 4.806 -10.083 1.00 0.00 C ATOM 294 CG ARG A 22 -5.459 3.574 -10.919 1.00 0.00 C ATOM 295 CD ARG A 22 -5.550 3.913 -12.398 1.00 0.00 C ATOM 296 NE ARG A 22 -5.766 2.725 -13.220 1.00 0.00 N ATOM 297 CZ ARG A 22 -4.795 1.893 -13.577 1.00 0.00 C ATOM 298 NH1 ARG A 22 -3.548 2.117 -13.186 1.00 0.00 N ATOM 299 NH2 ARG A 22 -5.070 0.832 -14.327 1.00 0.00 N ATOM 0 H ARG A 22 -7.566 5.670 -8.711 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.367 3.791 -8.200 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.577 5.682 -10.574 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.074 4.952 -10.046 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.682 2.826 -10.763 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.398 3.132 -10.588 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.366 4.618 -12.559 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.632 4.410 -12.713 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.714 2.524 -13.537 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.333 2.930 -12.609 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -2.804 1.476 -13.462 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.028 0.656 -14.629 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.323 0.193 -14.601 1.00 0.00 H new ATOM 313 N ARG A 23 -4.494 5.556 -6.717 1.00 0.00 N ATOM 314 CA ARG A 23 -3.923 6.568 -5.837 1.00 0.00 C ATOM 315 C ARG A 23 -2.464 6.253 -5.519 1.00 0.00 C ATOM 316 O ARG A 23 -2.151 5.193 -4.980 1.00 0.00 O ATOM 317 CB ARG A 23 -4.729 6.661 -4.540 1.00 0.00 C ATOM 318 CG ARG A 23 -4.731 8.049 -3.922 1.00 0.00 C ATOM 319 CD ARG A 23 -3.363 8.416 -3.369 1.00 0.00 C ATOM 320 NE ARG A 23 -2.535 9.095 -4.362 1.00 0.00 N ATOM 321 CZ ARG A 23 -2.857 10.258 -4.915 1.00 0.00 C ATOM 322 NH1 ARG A 23 -3.985 10.868 -4.576 1.00 0.00 N ATOM 323 NH2 ARG A 23 -2.052 10.815 -5.812 1.00 0.00 N ATOM 0 H ARG A 23 -4.347 4.596 -6.406 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.966 7.527 -6.354 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.757 6.360 -4.739 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.323 5.952 -3.818 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.030 8.782 -4.672 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -5.471 8.091 -3.123 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.485 9.060 -2.498 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.855 7.513 -3.030 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.662 8.651 -4.646 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.608 10.444 -3.889 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.230 11.762 -5.003 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.184 10.349 -6.077 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.301 11.709 -6.236 1.00 0.00 H new ATOM 337 N GLY A 24 -1.575 7.181 -5.861 1.00 0.00 N ATOM 338 CA GLY A 24 -0.161 6.984 -5.605 1.00 0.00 C ATOM 339 C GLY A 24 0.303 7.678 -4.340 1.00 0.00 C ATOM 340 O GLY A 24 0.545 8.884 -4.338 1.00 0.00 O ATOM 0 H GLY A 24 -1.810 8.066 -6.311 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.045 5.917 -5.526 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.414 7.358 -6.452 1.00 0.00 H new ATOM 344 N VAL A 25 0.425 6.914 -3.259 1.00 0.00 N ATOM 345 CA VAL A 25 0.862 7.463 -1.980 1.00 0.00 C ATOM 346 C VAL A 25 2.325 7.127 -1.709 1.00 0.00 C ATOM 347 O VAL A 25 2.804 6.056 -2.078 1.00 0.00 O ATOM 348 CB VAL A 25 0.000 6.933 -0.818 1.00 0.00 C ATOM 349 CG1 VAL A 25 0.315 7.686 0.465 1.00 0.00 C ATOM 350 CG2 VAL A 25 -1.478 7.038 -1.160 1.00 0.00 C ATOM 0 H VAL A 25 0.228 5.913 -3.243 1.00 0.00 H new ATOM 0 HA VAL A 25 0.747 8.545 -2.043 1.00 0.00 H new ATOM 0 HB VAL A 25 0.238 5.881 -0.661 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.303 7.299 1.275 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.367 7.553 0.716 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.107 8.747 0.325 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.072 6.659 -0.328 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.736 8.081 -1.344 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.688 6.449 -2.053 1.00 0.00 H new ATOM 360 N MET A 26 3.027 8.051 -1.062 1.00 0.00 N ATOM 361 CA MET A 26 4.435 7.852 -0.739 1.00 0.00 C ATOM 362 C MET A 26 4.644 7.793 0.770 1.00 0.00 C ATOM 363 O MET A 26 4.071 8.585 1.517 1.00 0.00 O ATOM 364 CB MET A 26 5.282 8.977 -1.340 1.00 0.00 C ATOM 365 CG MET A 26 5.457 10.167 -0.411 1.00 0.00 C ATOM 366 SD MET A 26 6.587 11.406 -1.074 1.00 0.00 S ATOM 367 CE MET A 26 8.125 10.489 -1.083 1.00 0.00 C ATOM 0 H MET A 26 2.645 8.944 -0.751 1.00 0.00 H new ATOM 0 HA MET A 26 4.750 6.901 -1.168 1.00 0.00 H new ATOM 0 HB2 MET A 26 6.264 8.582 -1.601 1.00 0.00 H new ATOM 0 HB3 MET A 26 4.818 9.315 -2.267 1.00 0.00 H new ATOM 0 HG2 MET A 26 4.486 10.627 -0.229 1.00 0.00 H new ATOM 0 HG3 MET A 26 5.830 9.819 0.552 1.00 0.00 H new ATOM 0 HE1 MET A 26 8.792 10.890 -0.320 1.00 0.00 H new ATOM 0 HE2 MET A 26 7.924 9.439 -0.873 1.00 0.00 H new ATOM 0 HE3 MET A 26 8.597 10.579 -2.062 1.00 0.00 H new ATOM 377 N ALA A 27 5.469 6.849 1.213 1.00 0.00 N ATOM 378 CA ALA A 27 5.754 6.688 2.632 1.00 0.00 C ATOM 379 C ALA A 27 7.090 5.985 2.848 1.00 0.00 C ATOM 380 O ALA A 27 7.495 5.143 2.047 1.00 0.00 O ATOM 381 CB ALA A 27 4.633 5.913 3.311 1.00 0.00 C ATOM 0 H ALA A 27 5.951 6.184 0.608 1.00 0.00 H new ATOM 0 HA ALA A 27 5.819 7.680 3.079 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.859 5.800 4.371 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.694 6.455 3.196 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.542 4.928 2.853 1.00 0.00 H new ATOM 387 N SER A 28 7.771 6.339 3.933 1.00 0.00 N ATOM 388 CA SER A 28 9.065 5.745 4.251 1.00 0.00 C ATOM 389 C SER A 28 8.892 4.339 4.818 1.00 0.00 C ATOM 390 O SER A 28 9.729 3.463 4.598 1.00 0.00 O ATOM 391 CB SER A 28 9.819 6.622 5.253 1.00 0.00 C ATOM 392 OG SER A 28 10.796 5.870 5.953 1.00 0.00 O ATOM 0 H SER A 28 7.449 7.034 4.607 1.00 0.00 H new ATOM 0 HA SER A 28 9.644 5.678 3.330 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.298 7.449 4.729 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.115 7.059 5.961 1.00 0.00 H new ATOM 0 HG SER A 28 11.265 6.452 6.586 1.00 0.00 H new ATOM 398 N SER A 29 7.801 4.131 5.547 1.00 0.00 N ATOM 399 CA SER A 29 7.519 2.832 6.149 1.00 0.00 C ATOM 400 C SER A 29 6.105 2.372 5.810 1.00 0.00 C ATOM 401 O SER A 29 5.367 3.062 5.105 1.00 0.00 O ATOM 402 CB SER A 29 7.696 2.902 7.667 1.00 0.00 C ATOM 403 OG SER A 29 8.693 3.844 8.022 1.00 0.00 O ATOM 0 H SER A 29 7.097 4.845 5.736 1.00 0.00 H new ATOM 0 HA SER A 29 8.224 2.108 5.741 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.750 3.176 8.134 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.968 1.918 8.050 1.00 0.00 H new ATOM 0 HG SER A 29 8.785 3.871 8.997 1.00 0.00 H new ATOM 409 N LEU A 30 5.733 1.203 6.318 1.00 0.00 N ATOM 410 CA LEU A 30 4.407 0.648 6.071 1.00 0.00 C ATOM 411 C LEU A 30 3.350 1.377 6.894 1.00 0.00 C ATOM 412 O LEU A 30 2.426 1.978 6.345 1.00 0.00 O ATOM 413 CB LEU A 30 4.387 -0.845 6.403 1.00 0.00 C ATOM 414 CG LEU A 30 3.008 -1.462 6.642 1.00 0.00 C ATOM 415 CD1 LEU A 30 2.323 -1.768 5.319 1.00 0.00 C ATOM 416 CD2 LEU A 30 3.125 -2.720 7.488 1.00 0.00 C ATOM 0 H LEU A 30 6.331 0.620 6.904 1.00 0.00 H new ATOM 0 HA LEU A 30 4.175 0.782 5.014 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.868 -1.385 5.587 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.994 -1.007 7.293 1.00 0.00 H new ATOM 0 HG LEU A 30 2.398 -0.740 7.185 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.343 -2.206 5.509 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.204 -0.846 4.749 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.930 -2.471 4.749 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.134 -3.145 7.647 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.753 -3.447 6.974 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.572 -2.471 8.450 1.00 0.00 H new ATOM 428 N GLN A 31 3.493 1.322 8.215 1.00 0.00 N ATOM 429 CA GLN A 31 2.550 1.979 9.113 1.00 0.00 C ATOM 430 C GLN A 31 2.189 3.369 8.601 1.00 0.00 C ATOM 431 O GLN A 31 1.041 3.801 8.706 1.00 0.00 O ATOM 432 CB GLN A 31 3.140 2.077 10.521 1.00 0.00 C ATOM 433 CG GLN A 31 2.154 2.588 11.559 1.00 0.00 C ATOM 434 CD GLN A 31 1.333 1.475 12.181 1.00 0.00 C ATOM 435 OE1 GLN A 31 1.861 0.419 12.531 1.00 0.00 O ATOM 436 NE2 GLN A 31 0.033 1.707 12.321 1.00 0.00 N ATOM 0 H GLN A 31 4.252 0.830 8.686 1.00 0.00 H new ATOM 0 HA GLN A 31 1.641 1.379 9.149 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.498 1.093 10.825 1.00 0.00 H new ATOM 0 HB3 GLN A 31 4.006 2.738 10.498 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.698 3.115 12.343 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.485 3.312 11.094 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.362 2.597 12.017 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.571 0.995 12.733 1.00 0.00 H new ATOM 445 N GLU A 32 3.177 4.065 8.048 1.00 0.00 N ATOM 446 CA GLU A 32 2.962 5.408 7.522 1.00 0.00 C ATOM 447 C GLU A 32 2.017 5.378 6.323 1.00 0.00 C ATOM 448 O GLU A 32 1.097 6.189 6.223 1.00 0.00 O ATOM 449 CB GLU A 32 4.296 6.041 7.117 1.00 0.00 C ATOM 450 CG GLU A 32 4.151 7.418 6.493 1.00 0.00 C ATOM 451 CD GLU A 32 5.369 8.293 6.720 1.00 0.00 C ATOM 452 OE1 GLU A 32 5.877 8.318 7.861 1.00 0.00 O ATOM 453 OE2 GLU A 32 5.814 8.952 5.758 1.00 0.00 O ATOM 0 H GLU A 32 4.133 3.722 7.953 1.00 0.00 H new ATOM 0 HA GLU A 32 2.506 6.010 8.308 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.935 6.115 7.997 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.801 5.383 6.411 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.980 7.311 5.422 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.272 7.910 6.909 1.00 0.00 H new ATOM 460 N LEU A 33 2.253 4.438 5.416 1.00 0.00 N ATOM 461 CA LEU A 33 1.424 4.300 4.222 1.00 0.00 C ATOM 462 C LEU A 33 -0.024 4.005 4.597 1.00 0.00 C ATOM 463 O LEU A 33 -0.923 4.797 4.310 1.00 0.00 O ATOM 464 CB LEU A 33 1.968 3.187 3.325 1.00 0.00 C ATOM 465 CG LEU A 33 1.151 2.877 2.070 1.00 0.00 C ATOM 466 CD1 LEU A 33 0.051 1.874 2.382 1.00 0.00 C ATOM 467 CD2 LEU A 33 0.561 4.155 1.490 1.00 0.00 C ATOM 0 H LEU A 33 3.011 3.759 5.483 1.00 0.00 H new ATOM 0 HA LEU A 33 1.454 5.244 3.677 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.979 3.456 3.019 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.046 2.276 3.918 1.00 0.00 H new ATOM 0 HG LEU A 33 1.815 2.436 1.327 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.519 1.666 1.477 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.495 0.950 2.751 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.612 2.286 3.142 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.017 3.916 0.597 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.089 4.624 2.229 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.366 4.841 1.228 1.00 0.00 H new ATOM 479 N ILE A 34 -0.244 2.864 5.240 1.00 0.00 N ATOM 480 CA ILE A 34 -1.583 2.467 5.657 1.00 0.00 C ATOM 481 C ILE A 34 -2.388 3.669 6.138 1.00 0.00 C ATOM 482 O ILE A 34 -3.473 3.946 5.628 1.00 0.00 O ATOM 483 CB ILE A 34 -1.534 1.414 6.780 1.00 0.00 C ATOM 484 CG1 ILE A 34 -0.961 0.098 6.249 1.00 0.00 C ATOM 485 CG2 ILE A 34 -2.922 1.197 7.363 1.00 0.00 C ATOM 486 CD1 ILE A 34 -0.579 -0.878 7.340 1.00 0.00 C ATOM 0 H ILE A 34 0.488 2.197 5.484 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.069 2.033 4.784 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.882 1.779 7.573 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.695 -0.371 5.594 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.082 0.313 5.641 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.871 0.450 8.155 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.295 2.136 7.772 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.595 0.849 6.580 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.181 -1.788 6.891 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.179 -0.428 7.982 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.459 -1.122 7.934 1.00 0.00 H new ATOM 498 N SER A 35 -1.847 4.381 7.122 1.00 0.00 N ATOM 499 CA SER A 35 -2.516 5.553 7.674 1.00 0.00 C ATOM 500 C SER A 35 -2.786 6.588 6.585 1.00 0.00 C ATOM 501 O SER A 35 -3.831 7.239 6.576 1.00 0.00 O ATOM 502 CB SER A 35 -1.668 6.176 8.785 1.00 0.00 C ATOM 503 OG SER A 35 -0.522 6.817 8.251 1.00 0.00 O ATOM 0 H SER A 35 -0.948 4.167 7.553 1.00 0.00 H new ATOM 0 HA SER A 35 -3.470 5.232 8.092 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.266 6.897 9.342 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.361 5.403 9.490 1.00 0.00 H new ATOM 0 HG SER A 35 -0.158 6.278 7.518 1.00 0.00 H new ATOM 509 N LYS A 36 -1.837 6.732 5.666 1.00 0.00 N ATOM 510 CA LYS A 36 -1.970 7.685 4.571 1.00 0.00 C ATOM 511 C LYS A 36 -3.115 7.291 3.644 1.00 0.00 C ATOM 512 O LYS A 36 -4.027 8.082 3.396 1.00 0.00 O ATOM 513 CB LYS A 36 -0.663 7.768 3.779 1.00 0.00 C ATOM 514 CG LYS A 36 0.324 8.778 4.336 1.00 0.00 C ATOM 515 CD LYS A 36 1.480 9.016 3.379 1.00 0.00 C ATOM 516 CE LYS A 36 2.065 10.410 3.546 1.00 0.00 C ATOM 517 NZ LYS A 36 2.705 10.897 2.294 1.00 0.00 N ATOM 0 H LYS A 36 -0.967 6.200 5.658 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.192 8.663 4.998 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.194 6.784 3.765 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.891 8.028 2.745 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.189 9.720 4.530 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.709 8.422 5.292 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.257 8.271 3.553 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.137 8.885 2.353 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.276 11.101 3.843 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.801 10.401 4.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.393 11.642 2.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.193 10.108 1.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.977 11.282 1.659 1.00 0.00 H new ATOM 531 N THR A 37 -3.064 6.064 3.135 1.00 0.00 N ATOM 532 CA THR A 37 -4.097 5.566 2.236 1.00 0.00 C ATOM 533 C THR A 37 -5.488 5.931 2.741 1.00 0.00 C ATOM 534 O THR A 37 -6.288 6.523 2.015 1.00 0.00 O ATOM 535 CB THR A 37 -4.008 4.037 2.071 1.00 0.00 C ATOM 536 OG1 THR A 37 -2.716 3.673 1.573 1.00 0.00 O ATOM 537 CG2 THR A 37 -5.085 3.532 1.121 1.00 0.00 C ATOM 0 H THR A 37 -2.318 5.397 3.330 1.00 0.00 H new ATOM 0 HA THR A 37 -3.929 6.039 1.268 1.00 0.00 H new ATOM 0 HB THR A 37 -4.163 3.578 3.047 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.667 2.699 1.472 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.003 2.450 1.020 1.00 0.00 H new ATOM 0 HG22 THR A 37 -6.068 3.786 1.518 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.956 3.998 0.144 1.00 0.00 H new ATOM 545 N LEU A 38 -5.771 5.576 3.989 1.00 0.00 N ATOM 546 CA LEU A 38 -7.067 5.868 4.593 1.00 0.00 C ATOM 547 C LEU A 38 -7.457 7.326 4.369 1.00 0.00 C ATOM 548 O LEU A 38 -8.607 7.631 4.054 1.00 0.00 O ATOM 549 CB LEU A 38 -7.035 5.561 6.091 1.00 0.00 C ATOM 550 CG LEU A 38 -7.261 4.099 6.481 1.00 0.00 C ATOM 551 CD1 LEU A 38 -6.547 3.779 7.785 1.00 0.00 C ATOM 552 CD2 LEU A 38 -8.749 3.803 6.599 1.00 0.00 C ATOM 0 H LEU A 38 -5.121 5.085 4.603 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.814 5.234 4.115 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.069 5.877 6.486 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.794 6.169 6.583 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.846 3.465 5.698 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.719 2.735 8.047 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.477 3.952 7.666 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.932 4.420 8.578 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.891 2.759 6.877 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.188 4.445 7.363 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.235 3.993 5.642 1.00 0.00 H new ATOM 564 N ASP A 39 -6.489 8.222 4.532 1.00 0.00 N ATOM 565 CA ASP A 39 -6.730 9.648 4.344 1.00 0.00 C ATOM 566 C ASP A 39 -6.965 9.971 2.872 1.00 0.00 C ATOM 567 O ASP A 39 -7.916 10.671 2.524 1.00 0.00 O ATOM 568 CB ASP A 39 -5.547 10.460 4.875 1.00 0.00 C ATOM 569 CG ASP A 39 -5.841 11.948 4.920 1.00 0.00 C ATOM 570 OD1 ASP A 39 -6.769 12.348 5.652 1.00 0.00 O ATOM 571 OD2 ASP A 39 -5.139 12.710 4.223 1.00 0.00 O ATOM 0 H ASP A 39 -5.532 7.986 4.793 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.626 9.917 4.903 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.291 10.112 5.876 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.676 10.283 4.244 1.00 0.00 H new ATOM 576 N ALA A 40 -6.093 9.457 2.013 1.00 0.00 N ATOM 577 CA ALA A 40 -6.205 9.690 0.577 1.00 0.00 C ATOM 578 C ALA A 40 -7.532 9.166 0.040 1.00 0.00 C ATOM 579 O ALA A 40 -8.354 9.931 -0.468 1.00 0.00 O ATOM 580 CB ALA A 40 -5.042 9.039 -0.156 1.00 0.00 C ATOM 0 H ALA A 40 -5.300 8.876 2.285 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.171 10.766 0.404 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.139 9.221 -1.226 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.104 9.463 0.201 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.049 7.965 0.031 1.00 0.00 H new ATOM 586 N LEU A 41 -7.736 7.858 0.153 1.00 0.00 N ATOM 587 CA LEU A 41 -8.965 7.231 -0.323 1.00 0.00 C ATOM 588 C LEU A 41 -10.173 7.737 0.459 1.00 0.00 C ATOM 589 O LEU A 41 -11.317 7.441 0.114 1.00 0.00 O ATOM 590 CB LEU A 41 -8.865 5.710 -0.202 1.00 0.00 C ATOM 591 CG LEU A 41 -8.164 4.989 -1.353 1.00 0.00 C ATOM 592 CD1 LEU A 41 -7.840 3.554 -0.967 1.00 0.00 C ATOM 593 CD2 LEU A 41 -9.027 5.023 -2.606 1.00 0.00 C ATOM 0 H LEU A 41 -7.067 7.211 0.570 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.097 7.498 -1.372 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.339 5.473 0.723 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.873 5.306 -0.107 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.228 5.506 -1.564 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.341 3.057 -1.799 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.184 3.551 -0.097 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.762 3.024 -0.728 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.513 4.505 -3.416 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.978 4.530 -2.406 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -9.209 6.058 -2.895 1.00 0.00 H new ATOM 605 N VAL A 42 -9.910 8.504 1.513 1.00 0.00 N ATOM 606 CA VAL A 42 -10.975 9.054 2.343 1.00 0.00 C ATOM 607 C VAL A 42 -12.011 7.989 2.685 1.00 0.00 C ATOM 608 O VAL A 42 -13.214 8.202 2.523 1.00 0.00 O ATOM 609 CB VAL A 42 -11.679 10.232 1.644 1.00 0.00 C ATOM 610 CG1 VAL A 42 -12.777 10.800 2.529 1.00 0.00 C ATOM 611 CG2 VAL A 42 -10.672 11.310 1.273 1.00 0.00 C ATOM 0 H VAL A 42 -8.969 8.758 1.812 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.508 9.411 3.261 1.00 0.00 H new ATOM 0 HB VAL A 42 -12.139 9.864 0.727 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -13.263 11.631 2.018 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -13.513 10.024 2.740 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -12.344 11.153 3.465 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -11.187 12.135 0.780 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -10.182 11.676 2.175 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -9.925 10.893 0.598 1.00 0.00 H new ATOM 621 N ILE A 43 -11.538 6.842 3.160 1.00 0.00 N ATOM 622 CA ILE A 43 -12.423 5.743 3.527 1.00 0.00 C ATOM 623 C ILE A 43 -13.306 6.121 4.711 1.00 0.00 C ATOM 624 O ILE A 43 -12.884 6.856 5.604 1.00 0.00 O ATOM 625 CB ILE A 43 -11.627 4.472 3.879 1.00 0.00 C ATOM 626 CG1 ILE A 43 -10.694 4.093 2.727 1.00 0.00 C ATOM 627 CG2 ILE A 43 -12.575 3.326 4.199 1.00 0.00 C ATOM 628 CD1 ILE A 43 -9.750 2.959 3.063 1.00 0.00 C ATOM 0 H ILE A 43 -10.546 6.649 3.300 1.00 0.00 H new ATOM 0 HA ILE A 43 -13.050 5.540 2.659 1.00 0.00 H new ATOM 0 HB ILE A 43 -11.020 4.673 4.762 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -11.294 3.811 1.862 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.111 4.968 2.440 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -11.998 2.435 4.446 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -13.202 3.599 5.048 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -13.205 3.122 3.333 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.119 2.744 2.201 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -9.124 3.245 3.909 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -10.326 2.071 3.322 1.00 0.00 H new ATOM 640 N ALA A 44 -14.533 5.612 4.713 1.00 0.00 N ATOM 641 CA ALA A 44 -15.475 5.893 5.789 1.00 0.00 C ATOM 642 C ALA A 44 -14.963 5.355 7.121 1.00 0.00 C ATOM 643 O ALA A 44 -14.794 6.104 8.083 1.00 0.00 O ATOM 644 CB ALA A 44 -16.839 5.299 5.467 1.00 0.00 C ATOM 0 H ALA A 44 -14.898 5.003 3.981 1.00 0.00 H new ATOM 0 HA ALA A 44 -15.574 6.975 5.877 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -17.532 5.517 6.280 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -17.216 5.735 4.542 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -16.747 4.219 5.349 1.00 0.00 H new ATOM 650 N THR A 45 -14.719 4.049 7.171 1.00 0.00 N ATOM 651 CA THR A 45 -14.228 3.409 8.385 1.00 0.00 C ATOM 652 C THR A 45 -12.715 3.231 8.340 1.00 0.00 C ATOM 653 O THR A 45 -12.084 3.457 7.308 1.00 0.00 O ATOM 654 CB THR A 45 -14.889 2.035 8.603 1.00 0.00 C ATOM 655 OG1 THR A 45 -14.484 1.491 9.865 1.00 0.00 O ATOM 656 CG2 THR A 45 -14.515 1.071 7.487 1.00 0.00 C ATOM 0 H THR A 45 -14.854 3.414 6.384 1.00 0.00 H new ATOM 0 HA THR A 45 -14.489 4.065 9.215 1.00 0.00 H new ATOM 0 HB THR A 45 -15.970 2.172 8.596 1.00 0.00 H new ATOM 0 HG1 THR A 45 -14.910 0.618 9.997 1.00 0.00 H new ATOM 0 HG21 THR A 45 -14.994 0.108 7.663 1.00 0.00 H new ATOM 0 HG22 THR A 45 -14.850 1.474 6.531 1.00 0.00 H new ATOM 0 HG23 THR A 45 -13.433 0.940 7.467 1.00 0.00 H new ATOM 664 N GLY A 46 -12.137 2.822 9.466 1.00 0.00 N ATOM 665 CA GLY A 46 -10.701 2.620 9.532 1.00 0.00 C ATOM 666 C GLY A 46 -10.313 1.164 9.363 1.00 0.00 C ATOM 667 O GLY A 46 -9.306 0.853 8.725 1.00 0.00 O ATOM 0 H GLY A 46 -12.637 2.627 10.333 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.217 3.214 8.757 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -10.330 2.983 10.490 1.00 0.00 H new ATOM 671 N LEU A 47 -11.109 0.271 9.938 1.00 0.00 N ATOM 672 CA LEU A 47 -10.843 -1.161 9.850 1.00 0.00 C ATOM 673 C LEU A 47 -10.636 -1.588 8.401 1.00 0.00 C ATOM 674 O LEU A 47 -11.597 -1.762 7.650 1.00 0.00 O ATOM 675 CB LEU A 47 -11.996 -1.954 10.468 1.00 0.00 C ATOM 676 CG LEU A 47 -11.628 -3.304 11.085 1.00 0.00 C ATOM 677 CD1 LEU A 47 -10.899 -4.173 10.072 1.00 0.00 C ATOM 678 CD2 LEU A 47 -10.777 -3.105 12.331 1.00 0.00 C ATOM 0 H LEU A 47 -11.945 0.512 10.471 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.929 -1.370 10.405 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -12.461 -1.339 11.239 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -12.749 -2.122 9.698 1.00 0.00 H new ATOM 0 HG LEU A 47 -12.547 -3.813 11.374 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -10.645 -5.129 10.529 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -11.542 -4.343 9.208 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -9.986 -3.671 9.751 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -10.524 -4.076 12.758 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -9.862 -2.575 12.066 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -11.335 -2.521 13.063 1.00 0.00 H new ATOM 690 N VAL A 48 -9.376 -1.759 8.013 1.00 0.00 N ATOM 691 CA VAL A 48 -9.043 -2.168 6.654 1.00 0.00 C ATOM 692 C VAL A 48 -7.822 -3.081 6.639 1.00 0.00 C ATOM 693 O VAL A 48 -7.116 -3.210 7.640 1.00 0.00 O ATOM 694 CB VAL A 48 -8.772 -0.951 5.750 1.00 0.00 C ATOM 695 CG1 VAL A 48 -10.013 -0.077 5.645 1.00 0.00 C ATOM 696 CG2 VAL A 48 -7.590 -0.151 6.275 1.00 0.00 C ATOM 0 H VAL A 48 -8.569 -1.620 8.621 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.905 -2.712 6.268 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.524 -1.310 4.751 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -9.803 0.778 5.002 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -10.832 -0.657 5.220 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.295 0.276 6.637 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.412 0.705 5.624 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -7.807 0.199 7.284 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.702 -0.783 6.293 1.00 0.00 H new ATOM 706 N THR A 49 -7.575 -3.712 5.495 1.00 0.00 N ATOM 707 CA THR A 49 -6.439 -4.613 5.349 1.00 0.00 C ATOM 708 C THR A 49 -5.656 -4.309 4.077 1.00 0.00 C ATOM 709 O THR A 49 -6.210 -4.326 2.977 1.00 0.00 O ATOM 710 CB THR A 49 -6.889 -6.086 5.323 1.00 0.00 C ATOM 711 OG1 THR A 49 -7.582 -6.408 6.533 1.00 0.00 O ATOM 712 CG2 THR A 49 -5.696 -7.014 5.151 1.00 0.00 C ATOM 0 H THR A 49 -8.147 -3.615 4.656 1.00 0.00 H new ATOM 0 HA THR A 49 -5.796 -4.453 6.215 1.00 0.00 H new ATOM 0 HB THR A 49 -7.559 -6.223 4.475 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.866 -7.346 6.508 1.00 0.00 H new ATOM 0 HG21 THR A 49 -6.039 -8.049 5.136 1.00 0.00 H new ATOM 0 HG22 THR A 49 -5.190 -6.786 4.213 1.00 0.00 H new ATOM 0 HG23 THR A 49 -5.003 -6.874 5.981 1.00 0.00 H new ATOM 720 N LEU A 50 -4.366 -4.033 4.233 1.00 0.00 N ATOM 721 CA LEU A 50 -3.507 -3.726 3.095 1.00 0.00 C ATOM 722 C LEU A 50 -2.787 -4.977 2.604 1.00 0.00 C ATOM 723 O LEU A 50 -2.150 -5.687 3.382 1.00 0.00 O ATOM 724 CB LEU A 50 -2.484 -2.653 3.477 1.00 0.00 C ATOM 725 CG LEU A 50 -1.804 -1.931 2.315 1.00 0.00 C ATOM 726 CD1 LEU A 50 -2.759 -0.938 1.671 1.00 0.00 C ATOM 727 CD2 LEU A 50 -0.541 -1.227 2.791 1.00 0.00 C ATOM 0 H LEU A 50 -3.892 -4.016 5.136 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.136 -3.350 2.288 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.982 -1.909 4.099 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.713 -3.117 4.091 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.524 -2.672 1.566 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.257 -0.433 0.845 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.635 -1.467 1.294 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.071 -0.201 2.411 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.069 -0.718 1.950 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.798 -0.498 3.559 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.151 -1.961 3.205 1.00 0.00 H new ATOM 739 N VAL A 51 -2.890 -5.242 1.304 1.00 0.00 N ATOM 740 CA VAL A 51 -2.246 -6.406 0.708 1.00 0.00 C ATOM 741 C VAL A 51 -1.647 -6.066 -0.652 1.00 0.00 C ATOM 742 O VAL A 51 -1.903 -4.995 -1.206 1.00 0.00 O ATOM 743 CB VAL A 51 -3.239 -7.572 0.542 1.00 0.00 C ATOM 744 CG1 VAL A 51 -3.852 -7.948 1.882 1.00 0.00 C ATOM 745 CG2 VAL A 51 -4.320 -7.213 -0.466 1.00 0.00 C ATOM 0 H VAL A 51 -3.413 -4.666 0.645 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.449 -6.710 1.387 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.695 -8.437 0.164 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.551 -8.773 1.744 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -3.063 -8.251 2.571 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.382 -7.089 2.293 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.012 -8.049 -0.570 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.863 -6.333 -0.120 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.861 -7.000 -1.431 1.00 0.00 H new ATOM 755 N LEU A 52 -0.848 -6.982 -1.186 1.00 0.00 N ATOM 756 CA LEU A 52 -0.212 -6.781 -2.483 1.00 0.00 C ATOM 757 C LEU A 52 -1.228 -6.903 -3.614 1.00 0.00 C ATOM 758 O LEU A 52 -2.019 -7.844 -3.650 1.00 0.00 O ATOM 759 CB LEU A 52 0.916 -7.794 -2.684 1.00 0.00 C ATOM 760 CG LEU A 52 2.160 -7.595 -1.819 1.00 0.00 C ATOM 761 CD1 LEU A 52 3.155 -8.722 -2.046 1.00 0.00 C ATOM 762 CD2 LEU A 52 2.802 -6.246 -2.111 1.00 0.00 C ATOM 0 H LEU A 52 -0.625 -7.872 -0.741 1.00 0.00 H new ATOM 0 HA LEU A 52 0.205 -5.774 -2.502 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.520 -8.791 -2.491 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.218 -7.768 -3.731 1.00 0.00 H new ATOM 0 HG LEU A 52 1.857 -7.612 -0.772 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.034 -8.563 -1.421 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.692 -9.674 -1.785 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.453 -8.739 -3.094 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.686 -6.121 -1.486 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.090 -6.200 -3.161 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.090 -5.450 -1.895 1.00 0.00 H new ATOM 774 N GLU A 53 -1.199 -5.945 -4.536 1.00 0.00 N ATOM 775 CA GLU A 53 -2.117 -5.948 -5.668 1.00 0.00 C ATOM 776 C GLU A 53 -1.662 -6.938 -6.736 1.00 0.00 C ATOM 777 O GLU A 53 -2.182 -6.945 -7.852 1.00 0.00 O ATOM 778 CB GLU A 53 -2.223 -4.545 -6.271 1.00 0.00 C ATOM 779 CG GLU A 53 -3.461 -4.343 -7.128 1.00 0.00 C ATOM 780 CD GLU A 53 -4.747 -4.589 -6.364 1.00 0.00 C ATOM 781 OE1 GLU A 53 -5.090 -5.771 -6.147 1.00 0.00 O ATOM 782 OE2 GLU A 53 -5.411 -3.603 -5.983 1.00 0.00 O ATOM 0 H GLU A 53 -0.550 -5.158 -4.521 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.098 -6.256 -5.306 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.226 -3.811 -5.465 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.337 -4.351 -6.876 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.465 -3.326 -7.520 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.418 -5.015 -7.985 1.00 0.00 H new ATOM 789 N GLU A 54 -0.688 -7.772 -6.385 1.00 0.00 N ATOM 790 CA GLU A 54 -0.162 -8.765 -7.314 1.00 0.00 C ATOM 791 C GLU A 54 -0.497 -10.179 -6.845 1.00 0.00 C ATOM 792 O GLU A 54 -0.911 -11.025 -7.638 1.00 0.00 O ATOM 793 CB GLU A 54 1.353 -8.609 -7.457 1.00 0.00 C ATOM 794 CG GLU A 54 2.086 -8.533 -6.128 1.00 0.00 C ATOM 795 CD GLU A 54 3.594 -8.537 -6.293 1.00 0.00 C ATOM 796 OE1 GLU A 54 4.090 -9.229 -7.206 1.00 0.00 O ATOM 797 OE2 GLU A 54 4.277 -7.846 -5.508 1.00 0.00 O ATOM 0 H GLU A 54 -0.248 -7.780 -5.465 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.630 -8.602 -8.285 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.744 -9.450 -8.030 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.564 -7.707 -8.031 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.784 -7.627 -5.602 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.790 -9.377 -5.505 1.00 0.00 H new ATOM 804 N ASP A 55 -0.313 -10.426 -5.554 1.00 0.00 N ATOM 805 CA ASP A 55 -0.596 -11.737 -4.978 1.00 0.00 C ATOM 806 C ASP A 55 -1.671 -11.637 -3.902 1.00 0.00 C ATOM 807 O ASP A 55 -2.165 -12.650 -3.407 1.00 0.00 O ATOM 808 CB ASP A 55 0.678 -12.344 -4.389 1.00 0.00 C ATOM 809 CG ASP A 55 1.608 -12.889 -5.456 1.00 0.00 C ATOM 810 OD1 ASP A 55 1.104 -13.354 -6.499 1.00 0.00 O ATOM 811 OD2 ASP A 55 2.839 -12.850 -5.248 1.00 0.00 O ATOM 0 H ASP A 55 0.031 -9.737 -4.885 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.964 -12.385 -5.774 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.202 -11.586 -3.807 1.00 0.00 H new ATOM 0 HB3 ASP A 55 0.410 -13.146 -3.701 1.00 0.00 H new ATOM 816 N GLY A 56 -2.030 -10.408 -3.543 1.00 0.00 N ATOM 817 CA GLY A 56 -3.045 -10.199 -2.526 1.00 0.00 C ATOM 818 C GLY A 56 -2.546 -10.526 -1.133 1.00 0.00 C ATOM 819 O GLY A 56 -3.338 -10.746 -0.216 1.00 0.00 O ATOM 0 H GLY A 56 -1.637 -9.554 -3.938 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.376 -9.161 -2.556 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.914 -10.817 -2.752 1.00 0.00 H new ATOM 823 N THR A 57 -1.226 -10.561 -0.971 1.00 0.00 N ATOM 824 CA THR A 57 -0.621 -10.868 0.319 1.00 0.00 C ATOM 825 C THR A 57 -0.686 -9.666 1.255 1.00 0.00 C ATOM 826 O THR A 57 -0.289 -8.559 0.889 1.00 0.00 O ATOM 827 CB THR A 57 0.847 -11.305 0.162 1.00 0.00 C ATOM 828 OG1 THR A 57 0.955 -12.297 -0.865 1.00 0.00 O ATOM 829 CG2 THR A 57 1.389 -11.860 1.470 1.00 0.00 C ATOM 0 H THR A 57 -0.556 -10.380 -1.718 1.00 0.00 H new ATOM 0 HA THR A 57 -1.192 -11.691 0.749 1.00 0.00 H new ATOM 0 HB THR A 57 1.436 -10.431 -0.115 1.00 0.00 H new ATOM 0 HG1 THR A 57 1.892 -12.569 -0.960 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.427 -12.162 1.335 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.332 -11.093 2.242 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.796 -12.724 1.772 1.00 0.00 H new ATOM 837 N VAL A 58 -1.185 -9.891 2.466 1.00 0.00 N ATOM 838 CA VAL A 58 -1.299 -8.826 3.456 1.00 0.00 C ATOM 839 C VAL A 58 0.064 -8.470 4.038 1.00 0.00 C ATOM 840 O VAL A 58 0.805 -9.342 4.491 1.00 0.00 O ATOM 841 CB VAL A 58 -2.247 -9.225 4.602 1.00 0.00 C ATOM 842 CG1 VAL A 58 -2.043 -10.683 4.981 1.00 0.00 C ATOM 843 CG2 VAL A 58 -2.037 -8.318 5.806 1.00 0.00 C ATOM 0 H VAL A 58 -1.517 -10.801 2.785 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.709 -7.957 2.942 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.275 -9.105 4.259 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.722 -10.946 5.792 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.247 -11.316 4.117 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.013 -10.834 5.306 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.715 -8.614 6.607 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.007 -8.405 6.152 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.239 -7.285 5.523 1.00 0.00 H new ATOM 853 N VAL A 59 0.388 -7.181 4.024 1.00 0.00 N ATOM 854 CA VAL A 59 1.662 -6.708 4.553 1.00 0.00 C ATOM 855 C VAL A 59 1.491 -6.100 5.940 1.00 0.00 C ATOM 856 O VAL A 59 0.987 -4.985 6.082 1.00 0.00 O ATOM 857 CB VAL A 59 2.302 -5.661 3.621 1.00 0.00 C ATOM 858 CG1 VAL A 59 3.699 -5.300 4.103 1.00 0.00 C ATOM 859 CG2 VAL A 59 2.339 -6.174 2.190 1.00 0.00 C ATOM 0 H VAL A 59 -0.214 -6.446 3.652 1.00 0.00 H new ATOM 0 HA VAL A 59 2.318 -7.576 4.619 1.00 0.00 H new ATOM 0 HB VAL A 59 1.691 -4.758 3.643 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.135 -4.560 3.433 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.641 -4.888 5.110 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.323 -6.194 4.112 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.794 -5.422 1.546 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.926 -7.091 2.147 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.324 -6.377 1.850 1.00 0.00 H new ATOM 869 N ASP A 60 1.910 -6.839 6.960 1.00 0.00 N ATOM 870 CA ASP A 60 1.805 -6.373 8.338 1.00 0.00 C ATOM 871 C ASP A 60 3.186 -6.191 8.958 1.00 0.00 C ATOM 872 O ASP A 60 3.311 -5.804 10.120 1.00 0.00 O ATOM 873 CB ASP A 60 0.984 -7.359 9.171 1.00 0.00 C ATOM 874 CG ASP A 60 1.658 -8.711 9.297 1.00 0.00 C ATOM 875 OD1 ASP A 60 1.442 -9.566 8.413 1.00 0.00 O ATOM 876 OD2 ASP A 60 2.402 -8.914 10.279 1.00 0.00 O ATOM 0 H ASP A 60 2.326 -7.765 6.859 1.00 0.00 H new ATOM 0 HA ASP A 60 1.301 -5.407 8.331 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.822 -6.943 10.165 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.002 -7.487 8.715 1.00 0.00 H new ATOM 881 N THR A 61 4.223 -6.472 8.174 1.00 0.00 N ATOM 882 CA THR A 61 5.596 -6.342 8.646 1.00 0.00 C ATOM 883 C THR A 61 6.325 -5.221 7.915 1.00 0.00 C ATOM 884 O THR A 61 6.182 -5.064 6.703 1.00 0.00 O ATOM 885 CB THR A 61 6.380 -7.655 8.463 1.00 0.00 C ATOM 886 OG1 THR A 61 5.896 -8.358 7.313 1.00 0.00 O ATOM 887 CG2 THR A 61 6.253 -8.537 9.695 1.00 0.00 C ATOM 0 H THR A 61 4.137 -6.791 7.209 1.00 0.00 H new ATOM 0 HA THR A 61 5.544 -6.105 9.709 1.00 0.00 H new ATOM 0 HB THR A 61 7.432 -7.408 8.320 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.401 -9.191 7.202 1.00 0.00 H new ATOM 0 HG21 THR A 61 6.815 -9.458 9.542 1.00 0.00 H new ATOM 0 HG22 THR A 61 6.650 -8.010 10.563 1.00 0.00 H new ATOM 0 HG23 THR A 61 5.203 -8.776 9.865 1.00 0.00 H new ATOM 895 N GLU A 62 7.106 -4.445 8.659 1.00 0.00 N ATOM 896 CA GLU A 62 7.857 -3.337 8.078 1.00 0.00 C ATOM 897 C GLU A 62 9.014 -3.852 7.227 1.00 0.00 C ATOM 898 O GLU A 62 9.332 -3.281 6.185 1.00 0.00 O ATOM 899 CB GLU A 62 8.390 -2.420 9.181 1.00 0.00 C ATOM 900 CG GLU A 62 8.734 -1.022 8.696 1.00 0.00 C ATOM 901 CD GLU A 62 9.380 -0.174 9.773 1.00 0.00 C ATOM 902 OE1 GLU A 62 9.030 -0.350 10.959 1.00 0.00 O ATOM 903 OE2 GLU A 62 10.237 0.669 9.431 1.00 0.00 O ATOM 0 H GLU A 62 7.236 -4.562 9.664 1.00 0.00 H new ATOM 0 HA GLU A 62 7.182 -2.769 7.438 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.645 -2.348 9.973 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.279 -2.872 9.620 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.408 -1.093 7.842 1.00 0.00 H new ATOM 0 HG3 GLU A 62 7.827 -0.529 8.346 1.00 0.00 H new ATOM 910 N GLU A 63 9.639 -4.935 7.680 1.00 0.00 N ATOM 911 CA GLU A 63 10.762 -5.526 6.960 1.00 0.00 C ATOM 912 C GLU A 63 10.349 -5.932 5.549 1.00 0.00 C ATOM 913 O GLU A 63 11.127 -5.808 4.602 1.00 0.00 O ATOM 914 CB GLU A 63 11.298 -6.743 7.718 1.00 0.00 C ATOM 915 CG GLU A 63 10.290 -7.871 7.848 1.00 0.00 C ATOM 916 CD GLU A 63 10.919 -9.163 8.336 1.00 0.00 C ATOM 917 OE1 GLU A 63 11.601 -9.830 7.531 1.00 0.00 O ATOM 918 OE2 GLU A 63 10.728 -9.504 9.521 1.00 0.00 O ATOM 0 H GLU A 63 9.387 -5.420 8.541 1.00 0.00 H new ATOM 0 HA GLU A 63 11.550 -4.777 6.887 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.185 -7.117 7.207 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.612 -6.431 8.714 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.502 -7.571 8.539 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.817 -8.044 6.881 1.00 0.00 H new ATOM 925 N PHE A 64 9.120 -6.420 5.416 1.00 0.00 N ATOM 926 CA PHE A 64 8.604 -6.847 4.121 1.00 0.00 C ATOM 927 C PHE A 64 8.229 -5.644 3.260 1.00 0.00 C ATOM 928 O PHE A 64 8.441 -5.643 2.047 1.00 0.00 O ATOM 929 CB PHE A 64 7.386 -7.754 4.306 1.00 0.00 C ATOM 930 CG PHE A 64 6.905 -8.383 3.030 1.00 0.00 C ATOM 931 CD1 PHE A 64 7.794 -9.025 2.182 1.00 0.00 C ATOM 932 CD2 PHE A 64 5.567 -8.332 2.677 1.00 0.00 C ATOM 933 CE1 PHE A 64 7.355 -9.606 1.007 1.00 0.00 C ATOM 934 CE2 PHE A 64 5.122 -8.910 1.504 1.00 0.00 C ATOM 935 CZ PHE A 64 6.017 -9.547 0.667 1.00 0.00 C ATOM 0 H PHE A 64 8.463 -6.529 6.189 1.00 0.00 H new ATOM 0 HA PHE A 64 9.390 -7.405 3.612 1.00 0.00 H new ATOM 0 HB2 PHE A 64 7.634 -8.541 5.018 1.00 0.00 H new ATOM 0 HB3 PHE A 64 6.574 -7.173 4.743 1.00 0.00 H new ATOM 0 HD1 PHE A 64 8.841 -9.072 2.442 1.00 0.00 H new ATOM 0 HD2 PHE A 64 4.863 -7.834 3.327 1.00 0.00 H new ATOM 0 HE1 PHE A 64 8.057 -10.105 0.356 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.075 -8.864 1.242 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.672 -9.998 -0.252 1.00 0.00 H new ATOM 945 N PHE A 65 7.671 -4.620 3.897 1.00 0.00 N ATOM 946 CA PHE A 65 7.266 -3.410 3.192 1.00 0.00 C ATOM 947 C PHE A 65 8.482 -2.593 2.767 1.00 0.00 C ATOM 948 O PHE A 65 8.423 -1.827 1.806 1.00 0.00 O ATOM 949 CB PHE A 65 6.351 -2.560 4.076 1.00 0.00 C ATOM 950 CG PHE A 65 6.385 -1.096 3.742 1.00 0.00 C ATOM 951 CD1 PHE A 65 7.532 -0.350 3.955 1.00 0.00 C ATOM 952 CD2 PHE A 65 5.268 -0.467 3.214 1.00 0.00 C ATOM 953 CE1 PHE A 65 7.564 0.998 3.649 1.00 0.00 C ATOM 954 CE2 PHE A 65 5.295 0.880 2.906 1.00 0.00 C ATOM 955 CZ PHE A 65 6.445 1.614 3.122 1.00 0.00 C ATOM 0 H PHE A 65 7.489 -4.604 4.901 1.00 0.00 H new ATOM 0 HA PHE A 65 6.720 -3.709 2.297 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.328 -2.923 3.980 1.00 0.00 H new ATOM 0 HB3 PHE A 65 6.640 -2.693 5.118 1.00 0.00 H new ATOM 0 HD1 PHE A 65 8.411 -0.826 4.364 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.366 -1.036 3.041 1.00 0.00 H new ATOM 0 HE1 PHE A 65 8.464 1.570 3.822 1.00 0.00 H new ATOM 0 HE2 PHE A 65 4.418 1.358 2.497 1.00 0.00 H new ATOM 0 HZ PHE A 65 6.469 2.666 2.880 1.00 0.00 H new ATOM 965 N GLN A 66 9.584 -2.764 3.492 1.00 0.00 N ATOM 966 CA GLN A 66 10.814 -2.042 3.191 1.00 0.00 C ATOM 967 C GLN A 66 11.561 -2.697 2.034 1.00 0.00 C ATOM 968 O GLN A 66 12.412 -2.074 1.397 1.00 0.00 O ATOM 969 CB GLN A 66 11.713 -1.987 4.428 1.00 0.00 C ATOM 970 CG GLN A 66 11.191 -1.065 5.519 1.00 0.00 C ATOM 971 CD GLN A 66 11.645 0.370 5.338 1.00 0.00 C ATOM 972 OE1 GLN A 66 12.731 0.628 4.817 1.00 0.00 O ATOM 973 NE2 GLN A 66 10.816 1.312 5.769 1.00 0.00 N ATOM 0 H GLN A 66 9.649 -3.395 4.290 1.00 0.00 H new ATOM 0 HA GLN A 66 10.547 -1.027 2.898 1.00 0.00 H new ATOM 0 HB2 GLN A 66 11.820 -2.993 4.834 1.00 0.00 H new ATOM 0 HB3 GLN A 66 12.708 -1.656 4.130 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.102 -1.099 5.527 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.529 -1.429 6.489 1.00 0.00 H new ATOM 0 HE21 GLN A 66 9.926 1.052 6.195 1.00 0.00 H new ATOM 0 HE22 GLN A 66 11.069 2.296 5.675 1.00 0.00 H new ATOM 982 N THR A 67 11.239 -3.959 1.767 1.00 0.00 N ATOM 983 CA THR A 67 11.880 -4.699 0.688 1.00 0.00 C ATOM 984 C THR A 67 11.131 -4.515 -0.627 1.00 0.00 C ATOM 985 O THR A 67 11.634 -4.866 -1.695 1.00 0.00 O ATOM 986 CB THR A 67 11.964 -6.204 1.010 1.00 0.00 C ATOM 987 OG1 THR A 67 10.647 -6.767 1.063 1.00 0.00 O ATOM 988 CG2 THR A 67 12.673 -6.433 2.337 1.00 0.00 C ATOM 0 H THR A 67 10.538 -4.490 2.284 1.00 0.00 H new ATOM 0 HA THR A 67 12.889 -4.299 0.588 1.00 0.00 H new ATOM 0 HB THR A 67 12.536 -6.692 0.221 1.00 0.00 H new ATOM 0 HG1 THR A 67 10.004 -6.072 1.314 1.00 0.00 H new ATOM 0 HG21 THR A 67 12.721 -7.502 2.544 1.00 0.00 H new ATOM 0 HG22 THR A 67 13.684 -6.028 2.284 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.123 -5.933 3.134 1.00 0.00 H new ATOM 996 N LEU A 68 9.926 -3.960 -0.543 1.00 0.00 N ATOM 997 CA LEU A 68 9.108 -3.727 -1.727 1.00 0.00 C ATOM 998 C LEU A 68 9.697 -2.614 -2.588 1.00 0.00 C ATOM 999 O LEU A 68 9.962 -1.515 -2.102 1.00 0.00 O ATOM 1000 CB LEU A 68 7.677 -3.369 -1.321 1.00 0.00 C ATOM 1001 CG LEU A 68 6.904 -4.450 -0.564 1.00 0.00 C ATOM 1002 CD1 LEU A 68 5.504 -3.965 -0.223 1.00 0.00 C ATOM 1003 CD2 LEU A 68 6.842 -5.732 -1.381 1.00 0.00 C ATOM 0 H LEU A 68 9.495 -3.663 0.333 1.00 0.00 H new ATOM 0 HA LEU A 68 9.094 -4.646 -2.313 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.710 -2.473 -0.702 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.118 -3.114 -2.221 1.00 0.00 H new ATOM 0 HG LEU A 68 7.430 -4.661 0.367 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.969 -4.747 0.315 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.570 -3.074 0.402 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.968 -3.725 -1.141 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.288 -6.490 -0.827 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.340 -5.536 -2.328 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.853 -6.090 -1.574 1.00 0.00 H new ATOM 1015 N GLY A 69 9.899 -2.907 -3.869 1.00 0.00 N ATOM 1016 CA GLY A 69 10.454 -1.920 -4.776 1.00 0.00 C ATOM 1017 C GLY A 69 9.670 -0.622 -4.772 1.00 0.00 C ATOM 1018 O GLY A 69 8.788 -0.425 -3.937 1.00 0.00 O ATOM 0 H GLY A 69 9.688 -3.810 -4.294 1.00 0.00 H new ATOM 0 HA2 GLY A 69 11.488 -1.717 -4.498 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.470 -2.328 -5.787 1.00 0.00 H new ATOM 1022 N ASP A 70 9.993 0.266 -5.706 1.00 0.00 N ATOM 1023 CA ASP A 70 9.314 1.552 -5.806 1.00 0.00 C ATOM 1024 C ASP A 70 8.066 1.441 -6.678 1.00 0.00 C ATOM 1025 O ASP A 70 8.011 0.627 -7.598 1.00 0.00 O ATOM 1026 CB ASP A 70 10.259 2.609 -6.380 1.00 0.00 C ATOM 1027 CG ASP A 70 11.700 2.381 -5.968 1.00 0.00 C ATOM 1028 OD1 ASP A 70 11.991 2.455 -4.755 1.00 0.00 O ATOM 1029 OD2 ASP A 70 12.538 2.128 -6.859 1.00 0.00 O ATOM 0 H ASP A 70 10.721 0.118 -6.405 1.00 0.00 H new ATOM 0 HA ASP A 70 9.010 1.853 -4.804 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.190 2.602 -7.468 1.00 0.00 H new ATOM 0 HB3 ASP A 70 9.941 3.597 -6.046 1.00 0.00 H new ATOM 1034 N ASN A 71 7.067 2.264 -6.379 1.00 0.00 N ATOM 1035 CA ASN A 71 5.819 2.257 -7.133 1.00 0.00 C ATOM 1036 C ASN A 71 5.101 0.919 -6.984 1.00 0.00 C ATOM 1037 O ASN A 71 4.486 0.422 -7.930 1.00 0.00 O ATOM 1038 CB ASN A 71 6.092 2.540 -8.613 1.00 0.00 C ATOM 1039 CG ASN A 71 7.030 3.715 -8.813 1.00 0.00 C ATOM 1040 OD1 ASN A 71 6.610 4.873 -8.766 1.00 0.00 O ATOM 1041 ND2 ASN A 71 8.305 3.423 -9.038 1.00 0.00 N ATOM 0 H ASN A 71 7.097 2.944 -5.620 1.00 0.00 H new ATOM 0 HA ASN A 71 5.176 3.041 -6.732 1.00 0.00 H new ATOM 0 HB2 ASN A 71 6.522 1.652 -9.077 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.149 2.740 -9.122 1.00 0.00 H new ATOM 0 HD21 ASN A 71 8.982 4.172 -9.181 1.00 0.00 H new ATOM 0 HD22 ASN A 71 8.608 2.449 -9.068 1.00 0.00 H new ATOM 1048 N THR A 72 5.181 0.341 -5.791 1.00 0.00 N ATOM 1049 CA THR A 72 4.540 -0.939 -5.517 1.00 0.00 C ATOM 1050 C THR A 72 3.032 -0.777 -5.362 1.00 0.00 C ATOM 1051 O THR A 72 2.564 0.044 -4.574 1.00 0.00 O ATOM 1052 CB THR A 72 5.108 -1.591 -4.243 1.00 0.00 C ATOM 1053 OG1 THR A 72 6.533 -1.696 -4.339 1.00 0.00 O ATOM 1054 CG2 THR A 72 4.506 -2.972 -4.027 1.00 0.00 C ATOM 0 H THR A 72 5.684 0.739 -4.998 1.00 0.00 H new ATOM 0 HA THR A 72 4.748 -1.585 -6.370 1.00 0.00 H new ATOM 0 HB THR A 72 4.847 -0.961 -3.392 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.943 -0.854 -4.050 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.922 -3.413 -3.121 1.00 0.00 H new ATOM 0 HG22 THR A 72 3.424 -2.885 -3.924 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.740 -3.608 -4.881 1.00 0.00 H new ATOM 1062 N HIS A 73 2.276 -1.565 -6.120 1.00 0.00 N ATOM 1063 CA HIS A 73 0.820 -1.510 -6.066 1.00 0.00 C ATOM 1064 C HIS A 73 0.295 -2.211 -4.818 1.00 0.00 C ATOM 1065 O HIS A 73 0.841 -3.229 -4.388 1.00 0.00 O ATOM 1066 CB HIS A 73 0.217 -2.150 -7.316 1.00 0.00 C ATOM 1067 CG HIS A 73 0.177 -1.232 -8.499 1.00 0.00 C ATOM 1068 ND1 HIS A 73 -0.627 -0.180 -8.778 1.00 0.00 N flip ATOM 1069 CD2 HIS A 73 1.039 -1.347 -9.570 1.00 0.00 C flip ATOM 1070 CE1 HIS A 73 -0.241 0.317 -9.999 1.00 0.00 C flip ATOM 1071 NE2 HIS A 73 0.768 -0.405 -10.454 1.00 0.00 N flip ATOM 0 H HIS A 73 2.648 -2.249 -6.779 1.00 0.00 H new ATOM 0 HA HIS A 73 0.523 -0.462 -6.024 1.00 0.00 H new ATOM 0 HB2 HIS A 73 0.795 -3.037 -7.575 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -0.796 -2.483 -7.091 1.00 0.00 H new ATOM 0 HD2 HIS A 73 1.815 -2.092 -9.670 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -0.689 1.160 -10.504 1.00 0.00 H new ATOM 0 HE2 HIS A 73 1.255 -0.259 -11.338 1.00 0.00 H new ATOM 1080 N PHE A 74 -0.767 -1.663 -4.237 1.00 0.00 N ATOM 1081 CA PHE A 74 -1.364 -2.235 -3.036 1.00 0.00 C ATOM 1082 C PHE A 74 -2.876 -2.369 -3.192 1.00 0.00 C ATOM 1083 O PHE A 74 -3.474 -1.775 -4.089 1.00 0.00 O ATOM 1084 CB PHE A 74 -1.040 -1.370 -1.817 1.00 0.00 C ATOM 1085 CG PHE A 74 0.419 -1.361 -1.460 1.00 0.00 C ATOM 1086 CD1 PHE A 74 1.101 -2.548 -1.248 1.00 0.00 C ATOM 1087 CD2 PHE A 74 1.107 -0.165 -1.336 1.00 0.00 C ATOM 1088 CE1 PHE A 74 2.443 -2.542 -0.918 1.00 0.00 C ATOM 1089 CE2 PHE A 74 2.449 -0.153 -1.006 1.00 0.00 C ATOM 1090 CZ PHE A 74 3.119 -1.343 -0.798 1.00 0.00 C ATOM 0 H PHE A 74 -1.232 -0.822 -4.579 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.942 -3.229 -2.889 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.365 -0.348 -2.010 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -1.613 -1.731 -0.963 1.00 0.00 H new ATOM 0 HD1 PHE A 74 0.578 -3.488 -1.342 1.00 0.00 H new ATOM 0 HD2 PHE A 74 0.589 0.768 -1.499 1.00 0.00 H new ATOM 0 HE1 PHE A 74 2.963 -3.474 -0.754 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.974 0.786 -0.911 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.168 -1.336 -0.542 1.00 0.00 H new ATOM 1100 N MET A 75 -3.489 -3.154 -2.312 1.00 0.00 N ATOM 1101 CA MET A 75 -4.932 -3.366 -2.350 1.00 0.00 C ATOM 1102 C MET A 75 -5.546 -3.170 -0.968 1.00 0.00 C ATOM 1103 O MET A 75 -5.159 -3.834 -0.006 1.00 0.00 O ATOM 1104 CB MET A 75 -5.248 -4.770 -2.868 1.00 0.00 C ATOM 1105 CG MET A 75 -6.707 -5.163 -2.703 1.00 0.00 C ATOM 1106 SD MET A 75 -7.834 -4.009 -3.511 1.00 0.00 S ATOM 1107 CE MET A 75 -8.020 -4.785 -5.115 1.00 0.00 C ATOM 0 H MET A 75 -3.009 -3.654 -1.564 1.00 0.00 H new ATOM 0 HA MET A 75 -5.366 -2.631 -3.028 1.00 0.00 H new ATOM 0 HB2 MET A 75 -4.982 -4.828 -3.923 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.624 -5.492 -2.342 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.859 -6.161 -3.114 1.00 0.00 H new ATOM 0 HG3 MET A 75 -6.947 -5.216 -1.641 1.00 0.00 H new ATOM 0 HE1 MET A 75 -7.833 -4.051 -5.898 1.00 0.00 H new ATOM 0 HE2 MET A 75 -7.307 -5.604 -5.208 1.00 0.00 H new ATOM 0 HE3 MET A 75 -9.034 -5.173 -5.216 1.00 0.00 H new ATOM 1117 N ILE A 76 -6.506 -2.255 -0.877 1.00 0.00 N ATOM 1118 CA ILE A 76 -7.175 -1.974 0.388 1.00 0.00 C ATOM 1119 C ILE A 76 -8.516 -2.695 0.472 1.00 0.00 C ATOM 1120 O ILE A 76 -9.377 -2.533 -0.393 1.00 0.00 O ATOM 1121 CB ILE A 76 -7.404 -0.463 0.578 1.00 0.00 C ATOM 1122 CG1 ILE A 76 -7.607 -0.140 2.061 1.00 0.00 C ATOM 1123 CG2 ILE A 76 -8.601 -0.001 -0.240 1.00 0.00 C ATOM 1124 CD1 ILE A 76 -6.319 0.149 2.798 1.00 0.00 C ATOM 0 H ILE A 76 -6.838 -1.696 -1.663 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.520 -2.337 1.180 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.522 0.071 0.226 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.268 0.722 2.150 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -8.111 -0.979 2.542 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -8.750 1.069 -0.095 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -8.420 -0.202 -1.296 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -9.492 -0.538 0.084 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -6.539 0.369 3.843 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -5.664 -0.720 2.741 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -5.824 1.007 2.343 1.00 0.00 H new ATOM 1136 N LEU A 77 -8.687 -3.491 1.523 1.00 0.00 N ATOM 1137 CA LEU A 77 -9.925 -4.236 1.724 1.00 0.00 C ATOM 1138 C LEU A 77 -10.557 -3.890 3.068 1.00 0.00 C ATOM 1139 O LEU A 77 -9.914 -3.998 4.112 1.00 0.00 O ATOM 1140 CB LEU A 77 -9.655 -5.740 1.645 1.00 0.00 C ATOM 1141 CG LEU A 77 -8.914 -6.225 0.399 1.00 0.00 C ATOM 1142 CD1 LEU A 77 -8.602 -7.710 0.506 1.00 0.00 C ATOM 1143 CD2 LEU A 77 -9.730 -5.939 -0.853 1.00 0.00 C ATOM 0 H LEU A 77 -7.984 -3.637 2.248 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.622 -3.956 0.934 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -9.078 -6.032 2.523 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -10.609 -6.264 1.702 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.972 -5.681 0.327 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.075 -8.036 -0.390 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.976 -7.888 1.381 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.531 -8.271 0.605 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -9.187 -6.291 -1.730 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.688 -6.455 -0.789 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.901 -4.866 -0.939 1.00 0.00 H new ATOM 1155 N GLU A 78 -11.820 -3.478 3.034 1.00 0.00 N ATOM 1156 CA GLU A 78 -12.539 -3.118 4.251 1.00 0.00 C ATOM 1157 C GLU A 78 -13.100 -4.360 4.938 1.00 0.00 C ATOM 1158 O GLU A 78 -12.995 -5.472 4.420 1.00 0.00 O ATOM 1159 CB GLU A 78 -13.673 -2.142 3.931 1.00 0.00 C ATOM 1160 CG GLU A 78 -13.192 -0.810 3.382 1.00 0.00 C ATOM 1161 CD GLU A 78 -14.192 -0.171 2.438 1.00 0.00 C ATOM 1162 OE1 GLU A 78 -15.108 0.522 2.926 1.00 0.00 O ATOM 1163 OE2 GLU A 78 -14.060 -0.367 1.212 1.00 0.00 O ATOM 0 H GLU A 78 -12.367 -3.385 2.178 1.00 0.00 H new ATOM 0 HA GLU A 78 -11.835 -2.635 4.929 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -14.344 -2.603 3.206 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.254 -1.964 4.836 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -12.995 -0.130 4.211 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -12.247 -0.957 2.859 1.00 0.00 H new ATOM 1170 N LYS A 79 -13.696 -4.162 6.109 1.00 0.00 N ATOM 1171 CA LYS A 79 -14.275 -5.263 6.869 1.00 0.00 C ATOM 1172 C LYS A 79 -15.367 -5.964 6.066 1.00 0.00 C ATOM 1173 O LYS A 79 -16.556 -5.755 6.303 1.00 0.00 O ATOM 1174 CB LYS A 79 -14.849 -4.751 8.192 1.00 0.00 C ATOM 1175 CG LYS A 79 -15.513 -5.833 9.026 1.00 0.00 C ATOM 1176 CD LYS A 79 -14.487 -6.776 9.634 1.00 0.00 C ATOM 1177 CE LYS A 79 -14.023 -6.290 10.998 1.00 0.00 C ATOM 1178 NZ LYS A 79 -14.980 -6.664 12.076 1.00 0.00 N ATOM 0 H LYS A 79 -13.791 -3.248 6.552 1.00 0.00 H new ATOM 0 HA LYS A 79 -13.483 -5.983 7.078 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -14.048 -4.296 8.774 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -15.577 -3.967 7.983 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -16.101 -5.372 9.820 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -16.206 -6.400 8.404 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -14.918 -7.772 9.729 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -13.630 -6.862 8.966 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -13.043 -6.713 11.220 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -13.906 -5.207 10.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.627 -6.314 12.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -15.909 -6.240 11.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -15.073 -7.699 12.114 1.00 0.00 H new ATOM 1192 N GLY A 80 -14.954 -6.797 5.115 1.00 0.00 N ATOM 1193 CA GLY A 80 -15.909 -7.516 4.293 1.00 0.00 C ATOM 1194 C GLY A 80 -15.541 -7.495 2.822 1.00 0.00 C ATOM 1195 O GLY A 80 -16.409 -7.360 1.961 1.00 0.00 O ATOM 0 H GLY A 80 -13.975 -6.986 4.900 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.971 -8.549 4.634 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.898 -7.077 4.423 1.00 0.00 H new ATOM 1199 N GLN A 81 -14.250 -7.627 2.536 1.00 0.00 N ATOM 1200 CA GLN A 81 -13.769 -7.620 1.160 1.00 0.00 C ATOM 1201 C GLN A 81 -12.537 -8.506 1.009 1.00 0.00 C ATOM 1202 O GLN A 81 -11.816 -8.755 1.975 1.00 0.00 O ATOM 1203 CB GLN A 81 -13.443 -6.193 0.719 1.00 0.00 C ATOM 1204 CG GLN A 81 -14.664 -5.294 0.613 1.00 0.00 C ATOM 1205 CD GLN A 81 -14.464 -4.149 -0.362 1.00 0.00 C ATOM 1206 OE1 GLN A 81 -15.341 -3.847 -1.171 1.00 0.00 O ATOM 1207 NE2 GLN A 81 -13.305 -3.506 -0.288 1.00 0.00 N ATOM 0 H GLN A 81 -13.519 -7.740 3.238 1.00 0.00 H new ATOM 0 HA GLN A 81 -14.559 -8.018 0.524 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -12.740 -5.755 1.427 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -12.942 -6.226 -0.248 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -15.522 -5.888 0.298 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -14.900 -4.891 1.598 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -12.607 -3.791 0.399 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -13.113 -2.727 -0.918 1.00 0.00 H new ATOM 1216 N LYS A 82 -12.300 -8.980 -0.209 1.00 0.00 N ATOM 1217 CA LYS A 82 -11.154 -9.838 -0.488 1.00 0.00 C ATOM 1218 C LYS A 82 -10.354 -9.309 -1.675 1.00 0.00 C ATOM 1219 O LYS A 82 -10.830 -8.458 -2.426 1.00 0.00 O ATOM 1220 CB LYS A 82 -11.619 -11.268 -0.769 1.00 0.00 C ATOM 1221 CG LYS A 82 -12.815 -11.347 -1.703 1.00 0.00 C ATOM 1222 CD LYS A 82 -12.382 -11.392 -3.160 1.00 0.00 C ATOM 1223 CE LYS A 82 -11.985 -12.798 -3.580 1.00 0.00 C ATOM 1224 NZ LYS A 82 -13.145 -13.567 -4.113 1.00 0.00 N ATOM 0 H LYS A 82 -12.887 -8.784 -1.020 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.509 -9.838 0.391 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -10.793 -11.831 -1.202 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -11.873 -11.750 0.175 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -13.402 -12.235 -1.469 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -13.462 -10.485 -1.541 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -13.195 -11.038 -3.793 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -11.542 -10.715 -3.312 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -11.206 -12.743 -4.340 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -11.561 -13.326 -2.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -12.833 -14.520 -4.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -13.879 -13.641 -3.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -13.534 -13.077 -4.944 1.00 0.00 H new ATOM 1238 N TRP A 83 -9.140 -9.820 -1.838 1.00 0.00 N ATOM 1239 CA TRP A 83 -8.275 -9.399 -2.934 1.00 0.00 C ATOM 1240 C TRP A 83 -8.567 -10.204 -4.196 1.00 0.00 C ATOM 1241 O TRP A 83 -8.898 -11.387 -4.127 1.00 0.00 O ATOM 1242 CB TRP A 83 -6.805 -9.558 -2.542 1.00 0.00 C ATOM 1243 CG TRP A 83 -5.872 -9.545 -3.715 1.00 0.00 C ATOM 1244 CD1 TRP A 83 -5.092 -8.504 -4.131 1.00 0.00 C ATOM 1245 CD2 TRP A 83 -5.624 -10.624 -4.625 1.00 0.00 C ATOM 1246 NE1 TRP A 83 -4.374 -8.870 -5.244 1.00 0.00 N ATOM 1247 CE2 TRP A 83 -4.681 -10.166 -5.566 1.00 0.00 C ATOM 1248 CE3 TRP A 83 -6.105 -11.931 -4.733 1.00 0.00 C ATOM 1249 CZ2 TRP A 83 -4.213 -10.970 -6.601 1.00 0.00 C ATOM 1250 CZ3 TRP A 83 -5.638 -12.728 -5.763 1.00 0.00 C ATOM 1251 CH2 TRP A 83 -4.700 -12.245 -6.685 1.00 0.00 C ATOM 0 H TRP A 83 -8.732 -10.526 -1.226 1.00 0.00 H new ATOM 0 HA TRP A 83 -8.476 -8.348 -3.140 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -6.530 -8.754 -1.859 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -6.681 -10.495 -1.999 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -5.046 -7.536 -3.655 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -3.719 -8.273 -5.749 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -6.827 -12.312 -4.026 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -3.490 -10.600 -7.313 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -6.003 -13.740 -5.858 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -4.355 -12.892 -7.478 1.00 0.00 H new ATOM 1262 N MET A 84 -8.441 -9.554 -5.349 1.00 0.00 N ATOM 1263 CA MET A 84 -8.691 -10.211 -6.627 1.00 0.00 C ATOM 1264 C MET A 84 -7.553 -9.943 -7.608 1.00 0.00 C ATOM 1265 O MET A 84 -6.971 -8.859 -7.639 1.00 0.00 O ATOM 1266 CB MET A 84 -10.016 -9.730 -7.223 1.00 0.00 C ATOM 1267 CG MET A 84 -11.220 -10.027 -6.344 1.00 0.00 C ATOM 1268 SD MET A 84 -12.782 -9.868 -7.229 1.00 0.00 S ATOM 1269 CE MET A 84 -12.617 -11.175 -8.444 1.00 0.00 C ATOM 0 H MET A 84 -8.168 -8.574 -5.424 1.00 0.00 H new ATOM 0 HA MET A 84 -8.750 -11.285 -6.449 1.00 0.00 H new ATOM 0 HB2 MET A 84 -9.959 -8.655 -7.396 1.00 0.00 H new ATOM 0 HB3 MET A 84 -10.161 -10.202 -8.195 1.00 0.00 H new ATOM 0 HG2 MET A 84 -11.134 -11.038 -5.946 1.00 0.00 H new ATOM 0 HG3 MET A 84 -11.219 -9.348 -5.492 1.00 0.00 H new ATOM 0 HE1 MET A 84 -13.606 -11.530 -8.733 1.00 0.00 H new ATOM 0 HE2 MET A 84 -12.098 -10.792 -9.323 1.00 0.00 H new ATOM 0 HE3 MET A 84 -12.046 -11.999 -8.017 1.00 0.00 H new ATOM 1279 N PRO A 85 -7.226 -10.953 -8.428 1.00 0.00 N ATOM 1280 CA PRO A 85 -6.155 -10.850 -9.423 1.00 0.00 C ATOM 1281 C PRO A 85 -6.517 -9.909 -10.567 1.00 0.00 C ATOM 1282 O PRO A 85 -7.586 -9.298 -10.568 1.00 0.00 O ATOM 1283 CB PRO A 85 -6.010 -12.284 -9.937 1.00 0.00 C ATOM 1284 CG PRO A 85 -7.341 -12.909 -9.698 1.00 0.00 C ATOM 1285 CD PRO A 85 -7.878 -12.273 -8.445 1.00 0.00 C ATOM 0 HA PRO A 85 -5.239 -10.441 -8.996 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -5.749 -12.301 -10.995 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -5.221 -12.817 -9.406 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -8.010 -12.736 -10.541 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -7.250 -13.989 -9.579 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -8.964 -12.185 -8.473 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -7.628 -12.856 -7.559 1.00 0.00 H new ATOM 1293 N SER A 86 -5.619 -9.796 -11.541 1.00 0.00 N ATOM 1294 CA SER A 86 -5.842 -8.926 -12.690 1.00 0.00 C ATOM 1295 C SER A 86 -6.336 -9.728 -13.890 1.00 0.00 C ATOM 1296 O SER A 86 -5.741 -10.737 -14.265 1.00 0.00 O ATOM 1297 CB SER A 86 -4.555 -8.185 -13.053 1.00 0.00 C ATOM 1298 OG SER A 86 -4.652 -7.589 -14.335 1.00 0.00 O ATOM 0 H SER A 86 -4.730 -10.296 -11.557 1.00 0.00 H new ATOM 0 HA SER A 86 -6.608 -8.198 -12.420 1.00 0.00 H new ATOM 0 HB2 SER A 86 -4.351 -7.417 -12.306 1.00 0.00 H new ATOM 0 HB3 SER A 86 -3.715 -8.879 -13.034 1.00 0.00 H new ATOM 0 HG SER A 86 -3.817 -7.120 -14.542 1.00 0.00 H new ATOM 1304 N GLY A 87 -7.433 -9.270 -14.489 1.00 0.00 N ATOM 1305 CA GLY A 87 -7.990 -9.956 -15.640 1.00 0.00 C ATOM 1306 C GLY A 87 -8.666 -9.005 -16.609 1.00 0.00 C ATOM 1307 O GLY A 87 -8.919 -7.841 -16.296 1.00 0.00 O ATOM 0 H GLY A 87 -7.944 -8.437 -14.197 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.196 -10.494 -16.158 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -8.712 -10.700 -15.302 1.00 0.00 H new ATOM 1311 N PRO A 88 -8.968 -9.502 -17.817 1.00 0.00 N ATOM 1312 CA PRO A 88 -9.622 -8.706 -18.860 1.00 0.00 C ATOM 1313 C PRO A 88 -11.074 -8.386 -18.520 1.00 0.00 C ATOM 1314 O PRO A 88 -11.709 -7.563 -19.179 1.00 0.00 O ATOM 1315 CB PRO A 88 -9.548 -9.608 -20.094 1.00 0.00 C ATOM 1316 CG PRO A 88 -9.463 -10.992 -19.548 1.00 0.00 C ATOM 1317 CD PRO A 88 -8.696 -10.881 -18.259 1.00 0.00 C ATOM 0 HA PRO A 88 -9.141 -7.737 -18.994 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -10.427 -9.486 -20.727 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -8.678 -9.370 -20.707 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -10.457 -11.406 -19.377 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -8.957 -11.657 -20.247 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -9.035 -11.612 -17.525 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.630 -11.052 -18.410 1.00 0.00 H new ATOM 1325 N SER A 89 -11.594 -9.042 -17.487 1.00 0.00 N ATOM 1326 CA SER A 89 -12.973 -8.829 -17.062 1.00 0.00 C ATOM 1327 C SER A 89 -13.093 -7.558 -16.227 1.00 0.00 C ATOM 1328 O SER A 89 -13.636 -7.577 -15.123 1.00 0.00 O ATOM 1329 CB SER A 89 -13.471 -10.031 -16.257 1.00 0.00 C ATOM 1330 OG SER A 89 -14.887 -10.059 -16.209 1.00 0.00 O ATOM 0 H SER A 89 -11.081 -9.725 -16.929 1.00 0.00 H new ATOM 0 HA SER A 89 -13.590 -8.717 -17.954 1.00 0.00 H new ATOM 0 HB2 SER A 89 -13.101 -10.953 -16.706 1.00 0.00 H new ATOM 0 HB3 SER A 89 -13.070 -9.986 -15.244 1.00 0.00 H new ATOM 0 HG SER A 89 -15.217 -9.227 -15.811 1.00 0.00 H new ATOM 1336 N SER A 90 -12.581 -6.455 -16.763 1.00 0.00 N ATOM 1337 CA SER A 90 -12.627 -5.174 -16.066 1.00 0.00 C ATOM 1338 C SER A 90 -12.948 -4.040 -17.035 1.00 0.00 C ATOM 1339 O SER A 90 -12.980 -4.236 -18.250 1.00 0.00 O ATOM 1340 CB SER A 90 -11.295 -4.901 -15.368 1.00 0.00 C ATOM 1341 OG SER A 90 -10.222 -4.903 -16.295 1.00 0.00 O ATOM 0 H SER A 90 -12.130 -6.422 -17.677 1.00 0.00 H new ATOM 0 HA SER A 90 -13.418 -5.224 -15.317 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.338 -3.938 -14.859 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.120 -5.658 -14.603 1.00 0.00 H new ATOM 0 HG SER A 90 -9.817 -5.795 -16.324 1.00 0.00 H new ATOM 1347 N GLY A 91 -13.185 -2.852 -16.489 1.00 0.00 N ATOM 1348 CA GLY A 91 -13.501 -1.703 -17.318 1.00 0.00 C ATOM 1349 C GLY A 91 -13.668 -0.432 -16.508 1.00 0.00 C ATOM 1350 O GLY A 91 -12.773 -0.044 -15.759 1.00 0.00 O ATOM 0 H GLY A 91 -13.164 -2.664 -15.487 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -12.709 -1.560 -18.053 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -14.419 -1.900 -17.872 1.00 0.00 H new TER 1354 GLY A 91