USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 679 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 26 HIS : no HE2:sc= -13.4! C(o=-18!,f=-21!) USER MOD Set 1.2: A 30 HIS : no HD1:sc= -4.15! C(o=-18!,f=-17!) USER MOD Single : A 1 GLY N :NH3+ -140:sc= 0.00266 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 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 12 MET CE :methyl 157:sc= -0.924 (180deg=-2.43) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= -0.0716 USER MOD Single : A 15 TYR OH : rot 174:sc= -1.91 USER MOD Single : A 20 GLN : amide:sc= -1.41 K(o=-1.4,f=-3.5!) USER MOD Single : A 21 THR OG1 : rot 103:sc= 1.32 USER MOD Single : A 22 SER OG : rot 74:sc= 1.22 USER MOD Single : A 27 LYS NZ :NH3+ -154:sc= -0.189 (180deg=-0.919) USER MOD Single : A 28 LYS NZ :NH3+ 152:sc= -0.915 (180deg=-1.5) USER MOD Single : A 29 LYS NZ :NH3+ 139:sc= -1.78 (180deg=-4.16!) USER MOD Single : A 34 SER OG : rot 89:sc= 0.412 USER MOD Single : A 36 ASN : amide:sc=-0.00138 X(o=-0.0014,f=-0.0014) USER MOD Single : A 38 SER OG : rot 180:sc=-0.00735 USER MOD Single : A 41 SER OG : rot 180:sc= 0.0194 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0422) USER MOD Single : A 44 CYS SG : rot 134:sc= -6.44! USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl -166:sc= -0.348 (180deg=-0.756) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 171:sc= -3.76! (180deg=-3.95!) USER MOD Single : A 58 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00708) USER MOD Single : A 62 MET CE :methyl 171:sc= 0 (180deg=-0.0434) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 165:sc= -0.0114 (180deg=-0.281) USER MOD Single : A 70 TYR OH : rot 52:sc= 1.02 USER MOD Single : A 74 MET CE :methyl 179:sc= -0.186 (180deg=-0.188) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -66:sc= 0.99 USER MOD Single : A 77 TYR OH : rot 60:sc= 0.931 USER MOD Single : A 81 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.113) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.631 -14.815 4.938 1.00 0.00 N ATOM 2 CA GLY A 1 -3.677 -16.293 5.133 1.00 0.00 C ATOM 3 C GLY A 1 -4.999 -16.693 5.792 1.00 0.00 C ATOM 4 O GLY A 1 -6.056 -16.247 5.392 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.202 -14.600 4.016 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.597 -14.431 4.969 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.062 -14.383 5.694 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.572 -16.798 4.173 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.840 -16.612 5.754 1.00 0.00 H new ATOM 10 N LYS A 2 -4.911 -17.526 6.792 1.00 0.00 N ATOM 11 CA LYS A 2 -6.147 -17.966 7.488 1.00 0.00 C ATOM 12 C LYS A 2 -6.693 -16.859 8.384 1.00 0.00 C ATOM 13 O LYS A 2 -5.943 -16.129 9.001 1.00 0.00 O ATOM 14 CB LYS A 2 -5.800 -19.186 8.357 1.00 0.00 C ATOM 15 CG LYS A 2 -4.735 -18.786 9.399 1.00 0.00 C ATOM 16 CD LYS A 2 -4.014 -20.044 9.902 1.00 0.00 C ATOM 17 CE LYS A 2 -5.014 -20.951 10.621 1.00 0.00 C ATOM 18 NZ LYS A 2 -4.305 -22.053 11.331 1.00 0.00 N ATOM 0 H LYS A 2 -4.041 -17.918 7.154 1.00 0.00 H new ATOM 0 HA LYS A 2 -6.906 -18.214 6.746 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -6.695 -19.556 8.858 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -5.427 -19.997 7.732 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -4.018 -18.096 8.955 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -5.205 -18.265 10.233 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -3.561 -20.576 9.065 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -3.206 -19.767 10.579 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -5.596 -20.367 11.334 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -5.718 -21.368 9.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -4.999 -22.659 11.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -3.769 -22.620 10.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -3.651 -21.650 12.032 1.00 0.00 H new ATOM 32 N GLY A 3 -7.994 -16.760 8.442 1.00 0.00 N ATOM 33 CA GLY A 3 -8.614 -15.705 9.296 1.00 0.00 C ATOM 34 C GLY A 3 -10.089 -16.029 9.555 1.00 0.00 C ATOM 35 O GLY A 3 -10.522 -17.148 9.370 1.00 0.00 O ATOM 0 H GLY A 3 -8.650 -17.358 7.940 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -8.079 -15.633 10.243 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -8.528 -14.735 8.807 1.00 0.00 H new ATOM 39 N ASP A 4 -10.831 -15.036 9.974 1.00 0.00 N ATOM 40 CA ASP A 4 -12.269 -15.266 10.249 1.00 0.00 C ATOM 41 C ASP A 4 -13.005 -13.925 10.499 1.00 0.00 C ATOM 42 O ASP A 4 -13.863 -13.563 9.725 1.00 0.00 O ATOM 43 CB ASP A 4 -12.410 -16.222 11.476 1.00 0.00 C ATOM 44 CG ASP A 4 -12.719 -17.651 10.999 1.00 0.00 C ATOM 45 OD1 ASP A 4 -13.744 -17.797 10.353 1.00 0.00 O ATOM 46 OD2 ASP A 4 -11.912 -18.513 11.311 1.00 0.00 O ATOM 0 H ASP A 4 -10.501 -14.084 10.135 1.00 0.00 H new ATOM 0 HA ASP A 4 -12.732 -15.732 9.379 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -11.489 -16.216 12.059 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -13.206 -15.869 12.132 1.00 0.00 H new ATOM 51 N PRO A 5 -12.654 -13.190 11.580 1.00 0.00 N ATOM 52 CA PRO A 5 -13.321 -11.912 11.859 1.00 0.00 C ATOM 53 C PRO A 5 -13.269 -11.026 10.624 1.00 0.00 C ATOM 54 O PRO A 5 -14.066 -10.119 10.462 1.00 0.00 O ATOM 55 CB PRO A 5 -12.505 -11.280 13.034 1.00 0.00 C ATOM 56 CG PRO A 5 -11.327 -12.264 13.353 1.00 0.00 C ATOM 57 CD PRO A 5 -11.585 -13.555 12.534 1.00 0.00 C ATOM 0 HA PRO A 5 -14.372 -12.033 12.120 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -12.123 -10.298 12.754 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -13.137 -11.138 13.910 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -10.369 -11.820 13.083 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -11.286 -12.485 14.420 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -10.684 -13.880 12.013 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -11.894 -14.377 13.179 1.00 0.00 H new ATOM 65 N LYS A 6 -12.308 -11.331 9.788 1.00 0.00 N ATOM 66 CA LYS A 6 -12.097 -10.577 8.518 1.00 0.00 C ATOM 67 C LYS A 6 -11.918 -11.575 7.397 1.00 0.00 C ATOM 68 O LYS A 6 -10.872 -11.648 6.784 1.00 0.00 O ATOM 69 CB LYS A 6 -10.802 -9.747 8.655 1.00 0.00 C ATOM 70 CG LYS A 6 -10.994 -8.636 9.736 1.00 0.00 C ATOM 71 CD LYS A 6 -9.676 -8.406 10.496 1.00 0.00 C ATOM 72 CE LYS A 6 -8.632 -7.825 9.543 1.00 0.00 C ATOM 73 NZ LYS A 6 -7.337 -7.616 10.251 1.00 0.00 N ATOM 0 H LYS A 6 -11.645 -12.091 9.939 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.945 -9.924 8.312 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.971 -10.396 8.932 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.547 -9.294 7.697 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -11.317 -7.709 9.263 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.779 -8.928 10.433 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -9.840 -7.725 11.331 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -9.317 -9.346 10.916 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -8.487 -8.499 8.699 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -8.988 -6.878 9.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.639 -7.221 9.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.476 -6.955 11.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -6.991 -8.526 10.617 1.00 0.00 H new ATOM 87 N LYS A 7 -12.952 -12.339 7.151 1.00 0.00 N ATOM 88 CA LYS A 7 -12.867 -13.343 6.080 1.00 0.00 C ATOM 89 C LYS A 7 -12.430 -12.714 4.735 1.00 0.00 C ATOM 90 O LYS A 7 -11.557 -13.238 4.071 1.00 0.00 O ATOM 91 CB LYS A 7 -14.261 -14.057 5.941 1.00 0.00 C ATOM 92 CG LYS A 7 -14.095 -15.582 6.147 1.00 0.00 C ATOM 93 CD LYS A 7 -13.320 -16.191 4.952 1.00 0.00 C ATOM 94 CE LYS A 7 -14.302 -16.587 3.837 1.00 0.00 C ATOM 95 NZ LYS A 7 -13.568 -16.881 2.575 1.00 0.00 N ATOM 0 H LYS A 7 -13.841 -12.302 7.649 1.00 0.00 H new ATOM 0 HA LYS A 7 -12.104 -14.075 6.344 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -14.960 -13.656 6.675 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -14.685 -13.858 4.957 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -13.560 -15.777 7.077 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -15.073 -16.055 6.237 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -12.596 -15.470 4.572 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -12.757 -17.065 5.280 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -14.875 -17.462 4.143 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -15.016 -15.781 3.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -14.246 -17.147 1.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -13.040 -16.036 2.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -12.904 -17.666 2.734 1.00 0.00 H new ATOM 109 N PRO A 8 -13.035 -11.591 4.353 1.00 0.00 N ATOM 110 CA PRO A 8 -12.671 -10.943 3.097 1.00 0.00 C ATOM 111 C PRO A 8 -11.305 -10.253 3.236 1.00 0.00 C ATOM 112 O PRO A 8 -11.204 -9.136 3.695 1.00 0.00 O ATOM 113 CB PRO A 8 -13.814 -9.908 2.836 1.00 0.00 C ATOM 114 CG PRO A 8 -14.726 -9.907 4.113 1.00 0.00 C ATOM 115 CD PRO A 8 -14.109 -10.920 5.115 1.00 0.00 C ATOM 0 HA PRO A 8 -12.575 -11.646 2.270 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -13.402 -8.915 2.654 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -14.388 -10.182 1.951 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -14.773 -8.911 4.552 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -15.747 -10.191 3.858 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -13.714 -10.415 5.996 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -14.853 -11.635 5.465 1.00 0.00 H new ATOM 123 N ARG A 9 -10.282 -10.949 2.849 1.00 0.00 N ATOM 124 CA ARG A 9 -8.930 -10.367 2.947 1.00 0.00 C ATOM 125 C ARG A 9 -8.821 -9.109 2.106 1.00 0.00 C ATOM 126 O ARG A 9 -8.518 -9.162 0.928 1.00 0.00 O ATOM 127 CB ARG A 9 -7.922 -11.430 2.447 1.00 0.00 C ATOM 128 CG ARG A 9 -6.466 -11.024 2.823 1.00 0.00 C ATOM 129 CD ARG A 9 -5.833 -10.131 1.728 1.00 0.00 C ATOM 130 NE ARG A 9 -6.197 -8.710 1.981 1.00 0.00 N ATOM 131 CZ ARG A 9 -5.560 -7.762 1.346 1.00 0.00 C ATOM 132 NH1 ARG A 9 -4.620 -8.091 0.501 1.00 0.00 N ATOM 133 NH2 ARG A 9 -5.881 -6.520 1.578 1.00 0.00 N ATOM 0 H ARG A 9 -10.326 -11.895 2.470 1.00 0.00 H new ATOM 0 HA ARG A 9 -8.718 -10.091 3.980 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.160 -12.399 2.885 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -8.007 -11.540 1.366 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -6.468 -10.491 3.774 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -5.860 -11.920 2.961 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -4.749 -10.247 1.730 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -6.185 -10.439 0.743 1.00 0.00 H new ATOM 0 HE ARG A 9 -6.937 -8.478 2.644 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -4.394 -9.074 0.346 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -4.112 -7.365 -0.004 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -6.619 -6.300 2.247 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -5.394 -5.768 1.091 1.00 0.00 H new ATOM 147 N GLY A 10 -9.098 -7.988 2.734 1.00 0.00 N ATOM 148 CA GLY A 10 -9.027 -6.696 2.023 1.00 0.00 C ATOM 149 C GLY A 10 -8.687 -5.579 3.005 1.00 0.00 C ATOM 150 O GLY A 10 -7.732 -5.678 3.748 1.00 0.00 O ATOM 0 H GLY A 10 -9.371 -7.926 3.715 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.272 -6.744 1.238 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.980 -6.486 1.536 1.00 0.00 H new ATOM 154 N LYS A 11 -9.529 -4.571 2.992 1.00 0.00 N ATOM 155 CA LYS A 11 -9.363 -3.361 3.893 1.00 0.00 C ATOM 156 C LYS A 11 -7.887 -3.063 4.238 1.00 0.00 C ATOM 157 O LYS A 11 -7.564 -2.661 5.340 1.00 0.00 O ATOM 158 CB LYS A 11 -10.182 -3.609 5.200 1.00 0.00 C ATOM 159 CG LYS A 11 -10.847 -2.291 5.648 1.00 0.00 C ATOM 160 CD LYS A 11 -11.224 -2.375 7.129 1.00 0.00 C ATOM 161 CE LYS A 11 -12.265 -3.488 7.339 1.00 0.00 C ATOM 162 NZ LYS A 11 -13.032 -3.254 8.596 1.00 0.00 N ATOM 0 H LYS A 11 -10.346 -4.527 2.383 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.732 -2.486 3.358 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -10.941 -4.371 5.027 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.527 -3.984 5.987 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -10.166 -1.456 5.484 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.736 -2.100 5.048 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.336 -2.577 7.729 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -11.626 -1.420 7.466 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.948 -3.521 6.490 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.767 -4.456 7.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -13.730 -4.014 8.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.378 -3.246 9.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -13.523 -2.339 8.538 1.00 0.00 H new ATOM 176 N MET A 12 -7.033 -3.252 3.278 1.00 0.00 N ATOM 177 CA MET A 12 -5.591 -2.992 3.519 1.00 0.00 C ATOM 178 C MET A 12 -5.331 -1.501 3.728 1.00 0.00 C ATOM 179 O MET A 12 -6.044 -0.662 3.212 1.00 0.00 O ATOM 180 CB MET A 12 -4.798 -3.491 2.263 1.00 0.00 C ATOM 181 CG MET A 12 -3.872 -4.657 2.650 1.00 0.00 C ATOM 182 SD MET A 12 -3.007 -5.507 1.311 1.00 0.00 S ATOM 183 CE MET A 12 -2.532 -4.032 0.370 1.00 0.00 C ATOM 0 H MET A 12 -7.269 -3.574 2.339 1.00 0.00 H new ATOM 0 HA MET A 12 -5.270 -3.517 4.419 1.00 0.00 H new ATOM 0 HB2 MET A 12 -5.494 -3.811 1.488 1.00 0.00 H new ATOM 0 HB3 MET A 12 -4.211 -2.673 1.846 1.00 0.00 H new ATOM 0 HG2 MET A 12 -3.125 -4.277 3.347 1.00 0.00 H new ATOM 0 HG3 MET A 12 -4.466 -5.395 3.190 1.00 0.00 H new ATOM 0 HE1 MET A 12 -1.669 -4.261 -0.255 1.00 0.00 H new ATOM 0 HE2 MET A 12 -3.364 -3.719 -0.261 1.00 0.00 H new ATOM 0 HE3 MET A 12 -2.277 -3.227 1.059 1.00 0.00 H new ATOM 193 N SER A 13 -4.310 -1.207 4.481 1.00 0.00 N ATOM 194 CA SER A 13 -3.982 0.209 4.734 1.00 0.00 C ATOM 195 C SER A 13 -3.422 0.845 3.470 1.00 0.00 C ATOM 196 O SER A 13 -3.065 0.156 2.536 1.00 0.00 O ATOM 197 CB SER A 13 -2.914 0.270 5.839 1.00 0.00 C ATOM 198 OG SER A 13 -3.631 -0.012 7.032 1.00 0.00 O ATOM 0 H SER A 13 -3.695 -1.887 4.928 1.00 0.00 H new ATOM 0 HA SER A 13 -4.881 0.746 5.037 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.122 -0.459 5.668 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.440 1.251 5.881 1.00 0.00 H new ATOM 0 HG SER A 13 -3.016 0.005 7.795 1.00 0.00 H new ATOM 204 N SER A 14 -3.356 2.142 3.457 1.00 0.00 N ATOM 205 CA SER A 14 -2.825 2.824 2.265 1.00 0.00 C ATOM 206 C SER A 14 -1.352 2.525 2.097 1.00 0.00 C ATOM 207 O SER A 14 -0.845 2.499 0.992 1.00 0.00 O ATOM 208 CB SER A 14 -3.025 4.327 2.459 1.00 0.00 C ATOM 209 OG SER A 14 -2.176 4.650 3.543 1.00 0.00 O ATOM 0 H SER A 14 -3.647 2.753 4.220 1.00 0.00 H new ATOM 0 HA SER A 14 -3.346 2.476 1.373 1.00 0.00 H new ATOM 0 HB2 SER A 14 -2.756 4.884 1.562 1.00 0.00 H new ATOM 0 HB3 SER A 14 -4.065 4.565 2.682 1.00 0.00 H new ATOM 0 HG SER A 14 -2.242 5.609 3.736 1.00 0.00 H new ATOM 215 N TYR A 15 -0.687 2.299 3.193 1.00 0.00 N ATOM 216 CA TYR A 15 0.755 1.996 3.114 1.00 0.00 C ATOM 217 C TYR A 15 0.933 0.578 2.633 1.00 0.00 C ATOM 218 O TYR A 15 1.692 0.320 1.732 1.00 0.00 O ATOM 219 CB TYR A 15 1.384 2.135 4.524 1.00 0.00 C ATOM 220 CG TYR A 15 2.763 1.447 4.545 1.00 0.00 C ATOM 221 CD1 TYR A 15 3.657 1.617 3.497 1.00 0.00 C ATOM 222 CD2 TYR A 15 3.102 0.598 5.573 1.00 0.00 C ATOM 223 CE1 TYR A 15 4.850 0.952 3.485 1.00 0.00 C ATOM 224 CE2 TYR A 15 4.306 -0.068 5.553 1.00 0.00 C ATOM 225 CZ TYR A 15 5.183 0.105 4.507 1.00 0.00 C ATOM 226 OH TYR A 15 6.356 -0.587 4.466 1.00 0.00 O ATOM 0 H TYR A 15 -1.082 2.312 4.133 1.00 0.00 H new ATOM 0 HA TYR A 15 1.240 2.687 2.425 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.488 3.188 4.785 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.730 1.685 5.271 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.407 2.281 2.683 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.421 0.454 6.399 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.536 1.096 2.663 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.565 -0.732 6.365 1.00 0.00 H new ATOM 0 HH TYR A 15 6.484 -1.065 5.312 1.00 0.00 H new ATOM 236 N ALA A 16 0.249 -0.322 3.271 1.00 0.00 N ATOM 237 CA ALA A 16 0.363 -1.731 2.860 1.00 0.00 C ATOM 238 C ALA A 16 0.074 -1.855 1.376 1.00 0.00 C ATOM 239 O ALA A 16 0.544 -2.765 0.722 1.00 0.00 O ATOM 240 CB ALA A 16 -0.653 -2.560 3.640 1.00 0.00 C ATOM 0 H ALA A 16 -0.379 -0.140 4.054 1.00 0.00 H new ATOM 0 HA ALA A 16 1.372 -2.090 3.063 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.575 -3.605 3.342 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.452 -2.471 4.708 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.659 -2.196 3.429 1.00 0.00 H new ATOM 246 N PHE A 17 -0.704 -0.929 0.867 1.00 0.00 N ATOM 247 CA PHE A 17 -1.031 -0.976 -0.576 1.00 0.00 C ATOM 248 C PHE A 17 0.211 -0.634 -1.375 1.00 0.00 C ATOM 249 O PHE A 17 0.430 -1.151 -2.445 1.00 0.00 O ATOM 250 CB PHE A 17 -2.156 0.081 -0.852 1.00 0.00 C ATOM 251 CG PHE A 17 -3.408 -0.602 -1.406 1.00 0.00 C ATOM 252 CD1 PHE A 17 -3.522 -0.864 -2.760 1.00 0.00 C ATOM 253 CD2 PHE A 17 -4.455 -0.932 -0.567 1.00 0.00 C ATOM 254 CE1 PHE A 17 -4.666 -1.441 -3.263 1.00 0.00 C ATOM 255 CE2 PHE A 17 -5.598 -1.509 -1.074 1.00 0.00 C ATOM 256 CZ PHE A 17 -5.704 -1.762 -2.421 1.00 0.00 C ATOM 0 H PHE A 17 -1.118 -0.156 1.388 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.375 -1.969 -0.866 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.400 0.610 0.069 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.797 0.826 -1.562 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.709 -0.614 -3.426 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.377 -0.736 0.492 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -4.748 -1.642 -4.321 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.413 -1.763 -0.412 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.602 -2.213 -2.817 1.00 0.00 H new ATOM 266 N PHE A 18 0.997 0.236 -0.832 1.00 0.00 N ATOM 267 CA PHE A 18 2.238 0.637 -1.531 1.00 0.00 C ATOM 268 C PHE A 18 3.279 -0.462 -1.367 1.00 0.00 C ATOM 269 O PHE A 18 4.232 -0.527 -2.121 1.00 0.00 O ATOM 270 CB PHE A 18 2.747 1.970 -0.920 1.00 0.00 C ATOM 271 CG PHE A 18 4.230 2.188 -1.242 1.00 0.00 C ATOM 272 CD1 PHE A 18 5.208 1.545 -0.506 1.00 0.00 C ATOM 273 CD2 PHE A 18 4.611 3.053 -2.255 1.00 0.00 C ATOM 274 CE1 PHE A 18 6.539 1.765 -0.776 1.00 0.00 C ATOM 275 CE2 PHE A 18 5.945 3.270 -2.520 1.00 0.00 C ATOM 276 CZ PHE A 18 6.907 2.626 -1.780 1.00 0.00 C ATOM 0 H PHE A 18 0.836 0.689 0.067 1.00 0.00 H new ATOM 0 HA PHE A 18 2.049 0.783 -2.594 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.160 2.801 -1.310 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.603 1.958 0.160 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.926 0.866 0.285 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.858 3.560 -2.840 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.297 1.259 -0.196 1.00 0.00 H new ATOM 0 HE2 PHE A 18 6.235 3.947 -3.310 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.953 2.797 -1.988 1.00 0.00 H new ATOM 286 N VAL A 19 3.080 -1.315 -0.366 1.00 0.00 N ATOM 287 CA VAL A 19 4.045 -2.413 -0.144 1.00 0.00 C ATOM 288 C VAL A 19 3.745 -3.525 -1.075 1.00 0.00 C ATOM 289 O VAL A 19 4.624 -4.056 -1.674 1.00 0.00 O ATOM 290 CB VAL A 19 3.950 -2.941 1.301 1.00 0.00 C ATOM 291 CG1 VAL A 19 4.893 -4.150 1.463 1.00 0.00 C ATOM 292 CG2 VAL A 19 4.410 -1.852 2.243 1.00 0.00 C ATOM 0 H VAL A 19 2.296 -1.281 0.286 1.00 0.00 H new ATOM 0 HA VAL A 19 5.050 -2.028 -0.318 1.00 0.00 H new ATOM 0 HB VAL A 19 2.923 -3.234 1.521 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.829 -4.527 2.484 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.600 -4.936 0.767 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.918 -3.843 1.253 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.349 -2.210 3.271 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.441 -1.584 2.013 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.772 -0.976 2.125 1.00 0.00 H new ATOM 302 N GLN A 20 2.497 -3.879 -1.181 1.00 0.00 N ATOM 303 CA GLN A 20 2.168 -4.974 -2.094 1.00 0.00 C ATOM 304 C GLN A 20 2.593 -4.564 -3.489 1.00 0.00 C ATOM 305 O GLN A 20 2.842 -5.386 -4.348 1.00 0.00 O ATOM 306 CB GLN A 20 0.634 -5.272 -2.013 1.00 0.00 C ATOM 307 CG GLN A 20 -0.170 -4.460 -3.067 1.00 0.00 C ATOM 308 CD GLN A 20 -0.190 -5.188 -4.430 1.00 0.00 C ATOM 309 OE1 GLN A 20 0.325 -6.278 -4.592 1.00 0.00 O ATOM 310 NE2 GLN A 20 -0.783 -4.607 -5.441 1.00 0.00 N ATOM 0 H GLN A 20 1.713 -3.460 -0.681 1.00 0.00 H new ATOM 0 HA GLN A 20 2.693 -5.890 -1.823 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.462 -6.337 -2.167 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.270 -5.032 -1.014 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -1.191 -4.311 -2.715 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.274 -3.471 -3.185 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -1.219 -3.693 -5.320 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.809 -5.068 -6.350 1.00 0.00 H new ATOM 319 N THR A 21 2.684 -3.264 -3.665 1.00 0.00 N ATOM 320 CA THR A 21 3.091 -2.720 -4.977 1.00 0.00 C ATOM 321 C THR A 21 4.599 -2.744 -5.086 1.00 0.00 C ATOM 322 O THR A 21 5.141 -2.977 -6.149 1.00 0.00 O ATOM 323 CB THR A 21 2.591 -1.276 -5.078 1.00 0.00 C ATOM 324 OG1 THR A 21 1.184 -1.365 -5.015 1.00 0.00 O ATOM 325 CG2 THR A 21 2.870 -0.699 -6.463 1.00 0.00 C ATOM 0 H THR A 21 2.491 -2.565 -2.947 1.00 0.00 H new ATOM 0 HA THR A 21 2.667 -3.320 -5.782 1.00 0.00 H new ATOM 0 HB THR A 21 3.063 -0.668 -4.306 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.879 -1.102 -4.122 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.506 0.327 -6.510 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.943 -0.712 -6.653 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.361 -1.299 -7.217 1.00 0.00 H new ATOM 333 N SER A 22 5.254 -2.508 -3.971 1.00 0.00 N ATOM 334 CA SER A 22 6.745 -2.514 -3.978 1.00 0.00 C ATOM 335 C SER A 22 7.236 -3.943 -3.825 1.00 0.00 C ATOM 336 O SER A 22 8.383 -4.244 -4.063 1.00 0.00 O ATOM 337 CB SER A 22 7.244 -1.686 -2.782 1.00 0.00 C ATOM 338 OG SER A 22 6.767 -0.375 -3.043 1.00 0.00 O ATOM 0 H SER A 22 4.821 -2.314 -3.068 1.00 0.00 H new ATOM 0 HA SER A 22 7.117 -2.093 -4.912 1.00 0.00 H new ATOM 0 HB2 SER A 22 6.854 -2.072 -1.840 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.331 -1.707 -2.709 1.00 0.00 H new ATOM 0 HG SER A 22 5.801 -0.341 -2.883 1.00 0.00 H new ATOM 344 N ARG A 23 6.321 -4.792 -3.439 1.00 0.00 N ATOM 345 CA ARG A 23 6.641 -6.229 -3.239 1.00 0.00 C ATOM 346 C ARG A 23 6.779 -6.943 -4.561 1.00 0.00 C ATOM 347 O ARG A 23 7.775 -7.574 -4.822 1.00 0.00 O ATOM 348 CB ARG A 23 5.482 -6.835 -2.451 1.00 0.00 C ATOM 349 CG ARG A 23 5.674 -8.338 -2.273 1.00 0.00 C ATOM 350 CD ARG A 23 4.698 -8.827 -1.181 1.00 0.00 C ATOM 351 NE ARG A 23 4.483 -10.299 -1.345 1.00 0.00 N ATOM 352 CZ ARG A 23 3.409 -10.858 -0.843 1.00 0.00 C ATOM 353 NH1 ARG A 23 2.542 -10.117 -0.203 1.00 0.00 N ATOM 354 NH2 ARG A 23 3.239 -12.142 -0.998 1.00 0.00 N ATOM 0 H ARG A 23 5.350 -4.542 -3.252 1.00 0.00 H new ATOM 0 HA ARG A 23 7.588 -6.333 -2.709 1.00 0.00 H new ATOM 0 HB2 ARG A 23 5.410 -6.355 -1.475 1.00 0.00 H new ATOM 0 HB3 ARG A 23 4.543 -6.643 -2.971 1.00 0.00 H new ATOM 0 HG2 ARG A 23 5.485 -8.859 -3.212 1.00 0.00 H new ATOM 0 HG3 ARG A 23 6.703 -8.558 -1.988 1.00 0.00 H new ATOM 0 HD2 ARG A 23 5.102 -8.613 -0.191 1.00 0.00 H new ATOM 0 HD3 ARG A 23 3.749 -8.297 -1.259 1.00 0.00 H new ATOM 0 HE ARG A 23 5.169 -10.864 -1.845 1.00 0.00 H new ATOM 0 HH11 ARG A 23 2.705 -9.116 -0.099 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.702 -10.541 0.192 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.935 -12.691 -1.502 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.410 -12.597 -0.615 1.00 0.00 H new ATOM 368 N GLU A 24 5.780 -6.841 -5.368 1.00 0.00 N ATOM 369 CA GLU A 24 5.848 -7.514 -6.684 1.00 0.00 C ATOM 370 C GLU A 24 7.038 -6.983 -7.464 1.00 0.00 C ATOM 371 O GLU A 24 7.602 -7.666 -8.295 1.00 0.00 O ATOM 372 CB GLU A 24 4.563 -7.200 -7.464 1.00 0.00 C ATOM 373 CG GLU A 24 3.391 -7.941 -6.819 1.00 0.00 C ATOM 374 CD GLU A 24 2.101 -7.593 -7.567 1.00 0.00 C ATOM 375 OE1 GLU A 24 1.759 -6.422 -7.539 1.00 0.00 O ATOM 376 OE2 GLU A 24 1.531 -8.518 -8.122 1.00 0.00 O ATOM 0 H GLU A 24 4.921 -6.325 -5.180 1.00 0.00 H new ATOM 0 HA GLU A 24 5.954 -8.590 -6.543 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.375 -6.126 -7.462 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.672 -7.503 -8.505 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.564 -9.017 -6.850 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.303 -7.662 -5.769 1.00 0.00 H new ATOM 383 N GLU A 25 7.397 -5.759 -7.166 1.00 0.00 N ATOM 384 CA GLU A 25 8.540 -5.122 -7.852 1.00 0.00 C ATOM 385 C GLU A 25 9.863 -5.553 -7.215 1.00 0.00 C ATOM 386 O GLU A 25 10.896 -5.545 -7.856 1.00 0.00 O ATOM 387 CB GLU A 25 8.372 -3.590 -7.704 1.00 0.00 C ATOM 388 CG GLU A 25 7.408 -3.078 -8.782 1.00 0.00 C ATOM 389 CD GLU A 25 8.138 -3.004 -10.127 1.00 0.00 C ATOM 390 OE1 GLU A 25 8.861 -2.036 -10.296 1.00 0.00 O ATOM 391 OE2 GLU A 25 7.928 -3.917 -10.906 1.00 0.00 O ATOM 0 H GLU A 25 6.936 -5.176 -6.468 1.00 0.00 H new ATOM 0 HA GLU A 25 8.559 -5.419 -8.901 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.988 -3.349 -6.713 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.339 -3.096 -7.800 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.547 -3.742 -8.860 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.028 -2.094 -8.508 1.00 0.00 H new ATOM 398 N HIS A 26 9.795 -5.924 -5.965 1.00 0.00 N ATOM 399 CA HIS A 26 11.026 -6.365 -5.238 1.00 0.00 C ATOM 400 C HIS A 26 11.324 -7.839 -5.525 1.00 0.00 C ATOM 401 O HIS A 26 12.461 -8.238 -5.611 1.00 0.00 O ATOM 402 CB HIS A 26 10.757 -6.155 -3.715 1.00 0.00 C ATOM 403 CG HIS A 26 11.521 -7.172 -2.854 1.00 0.00 C ATOM 404 ND1 HIS A 26 12.512 -6.907 -2.148 1.00 0.00 N ATOM 405 CD2 HIS A 26 11.270 -8.512 -2.650 1.00 0.00 C ATOM 406 CE1 HIS A 26 12.917 -7.926 -1.517 1.00 0.00 C ATOM 407 NE2 HIS A 26 12.184 -9.007 -1.775 1.00 0.00 N ATOM 0 H HIS A 26 8.938 -5.942 -5.412 1.00 0.00 H new ATOM 0 HA HIS A 26 11.891 -5.788 -5.565 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.051 -5.145 -3.430 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.688 -6.243 -3.519 1.00 0.00 H new ATOM 0 HD1 HIS A 26 12.943 -5.985 -2.086 1.00 0.00 H new ATOM 0 HD2 HIS A 26 10.474 -9.078 -3.112 1.00 0.00 H new ATOM 0 HE1 HIS A 26 13.762 -7.920 -0.845 1.00 0.00 H new ATOM 415 N LYS A 27 10.300 -8.614 -5.668 1.00 0.00 N ATOM 416 CA LYS A 27 10.517 -10.045 -5.944 1.00 0.00 C ATOM 417 C LYS A 27 11.241 -10.241 -7.282 1.00 0.00 C ATOM 418 O LYS A 27 11.667 -11.334 -7.601 1.00 0.00 O ATOM 419 CB LYS A 27 9.130 -10.733 -6.006 1.00 0.00 C ATOM 420 CG LYS A 27 9.282 -12.221 -5.685 1.00 0.00 C ATOM 421 CD LYS A 27 7.906 -12.882 -5.719 1.00 0.00 C ATOM 422 CE LYS A 27 8.081 -14.399 -5.707 1.00 0.00 C ATOM 423 NZ LYS A 27 8.797 -14.850 -6.935 1.00 0.00 N ATOM 0 H LYS A 27 9.325 -8.320 -5.606 1.00 0.00 H new ATOM 0 HA LYS A 27 11.136 -10.478 -5.158 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.448 -10.265 -5.296 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.694 -10.607 -6.997 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.945 -12.696 -6.408 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.737 -12.349 -4.703 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.315 -12.565 -4.860 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.362 -12.573 -6.612 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.640 -14.700 -4.821 1.00 0.00 H new ATOM 0 HE3 LYS A 27 7.106 -14.883 -5.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.538 -15.835 -7.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.530 -14.242 -7.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.824 -14.788 -6.781 1.00 0.00 H new ATOM 437 N LYS A 28 11.383 -9.165 -8.029 1.00 0.00 N ATOM 438 CA LYS A 28 12.075 -9.263 -9.352 1.00 0.00 C ATOM 439 C LYS A 28 13.603 -9.218 -9.222 1.00 0.00 C ATOM 440 O LYS A 28 14.300 -9.511 -10.172 1.00 0.00 O ATOM 441 CB LYS A 28 11.621 -8.072 -10.230 1.00 0.00 C ATOM 442 CG LYS A 28 11.983 -8.346 -11.707 1.00 0.00 C ATOM 443 CD LYS A 28 11.161 -7.423 -12.614 1.00 0.00 C ATOM 444 CE LYS A 28 11.415 -5.971 -12.214 1.00 0.00 C ATOM 445 NZ LYS A 28 12.865 -5.748 -11.953 1.00 0.00 N ATOM 0 H LYS A 28 11.051 -8.233 -7.779 1.00 0.00 H new ATOM 0 HA LYS A 28 11.809 -10.222 -9.797 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.546 -7.924 -10.131 1.00 0.00 H new ATOM 0 HB3 LYS A 28 12.102 -7.154 -9.892 1.00 0.00 H new ATOM 0 HG2 LYS A 28 13.048 -8.178 -11.869 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.783 -9.389 -11.954 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.436 -7.579 -13.657 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.100 -7.657 -12.526 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.075 -5.304 -13.007 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.837 -5.727 -11.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 13.104 -4.755 -12.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 13.076 -5.965 -10.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.428 -6.368 -12.569 1.00 0.00 H new ATOM 459 N LYS A 29 14.104 -8.848 -8.060 1.00 0.00 N ATOM 460 CA LYS A 29 15.595 -8.793 -7.900 1.00 0.00 C ATOM 461 C LYS A 29 16.026 -8.840 -6.425 1.00 0.00 C ATOM 462 O LYS A 29 16.859 -8.066 -5.996 1.00 0.00 O ATOM 463 CB LYS A 29 16.120 -7.484 -8.559 1.00 0.00 C ATOM 464 CG LYS A 29 15.405 -6.254 -7.955 1.00 0.00 C ATOM 465 CD LYS A 29 15.429 -5.086 -8.965 1.00 0.00 C ATOM 466 CE LYS A 29 16.876 -4.798 -9.400 1.00 0.00 C ATOM 467 NZ LYS A 29 17.285 -5.714 -10.505 1.00 0.00 N ATOM 0 H LYS A 29 13.560 -8.589 -7.237 1.00 0.00 H new ATOM 0 HA LYS A 29 16.021 -9.670 -8.387 1.00 0.00 H new ATOM 0 HB2 LYS A 29 17.196 -7.399 -8.407 1.00 0.00 H new ATOM 0 HB3 LYS A 29 15.952 -7.518 -9.635 1.00 0.00 H new ATOM 0 HG2 LYS A 29 14.375 -6.508 -7.703 1.00 0.00 H new ATOM 0 HG3 LYS A 29 15.895 -5.956 -7.028 1.00 0.00 H new ATOM 0 HD2 LYS A 29 14.821 -5.334 -9.835 1.00 0.00 H new ATOM 0 HD3 LYS A 29 14.992 -4.195 -8.514 1.00 0.00 H new ATOM 0 HE2 LYS A 29 16.963 -3.762 -9.728 1.00 0.00 H new ATOM 0 HE3 LYS A 29 17.548 -4.921 -8.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 17.833 -5.183 -11.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 17.870 -6.483 -10.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 16.438 -6.116 -10.955 1.00 0.00 H new ATOM 481 N HIS A 30 15.441 -9.764 -5.682 1.00 0.00 N ATOM 482 CA HIS A 30 15.786 -9.909 -4.223 1.00 0.00 C ATOM 483 C HIS A 30 15.634 -11.386 -3.791 1.00 0.00 C ATOM 484 O HIS A 30 14.740 -11.728 -3.044 1.00 0.00 O ATOM 485 CB HIS A 30 14.807 -9.063 -3.373 1.00 0.00 C ATOM 486 CG HIS A 30 15.148 -7.574 -3.465 1.00 0.00 C ATOM 487 ND1 HIS A 30 15.622 -6.895 -2.530 1.00 0.00 N ATOM 488 CD2 HIS A 30 14.965 -6.688 -4.502 1.00 0.00 C ATOM 489 CE1 HIS A 30 15.756 -5.681 -2.859 1.00 0.00 C ATOM 490 NE2 HIS A 30 15.364 -5.448 -4.108 1.00 0.00 N ATOM 0 H HIS A 30 14.741 -10.422 -6.025 1.00 0.00 H new ATOM 0 HA HIS A 30 16.813 -9.575 -4.073 1.00 0.00 H new ATOM 0 HB2 HIS A 30 13.786 -9.228 -3.716 1.00 0.00 H new ATOM 0 HB3 HIS A 30 14.850 -9.386 -2.333 1.00 0.00 H new ATOM 0 HD2 HIS A 30 14.568 -6.937 -5.475 1.00 0.00 H new ATOM 0 HE1 HIS A 30 16.145 -4.919 -2.200 1.00 0.00 H new ATOM 0 HE2 HIS A 30 15.363 -4.573 -4.632 1.00 0.00 H new ATOM 498 N PRO A 31 16.515 -12.243 -4.289 1.00 0.00 N ATOM 499 CA PRO A 31 16.465 -13.668 -3.949 1.00 0.00 C ATOM 500 C PRO A 31 17.014 -13.940 -2.544 1.00 0.00 C ATOM 501 O PRO A 31 16.596 -14.868 -1.878 1.00 0.00 O ATOM 502 CB PRO A 31 17.378 -14.350 -5.019 1.00 0.00 C ATOM 503 CG PRO A 31 18.175 -13.205 -5.734 1.00 0.00 C ATOM 504 CD PRO A 31 17.577 -11.860 -5.239 1.00 0.00 C ATOM 0 HA PRO A 31 15.442 -14.044 -3.949 1.00 0.00 H new ATOM 0 HB2 PRO A 31 18.059 -15.060 -4.550 1.00 0.00 H new ATOM 0 HB3 PRO A 31 16.779 -14.910 -5.737 1.00 0.00 H new ATOM 0 HG2 PRO A 31 19.237 -13.266 -5.495 1.00 0.00 H new ATOM 0 HG3 PRO A 31 18.087 -13.291 -6.817 1.00 0.00 H new ATOM 0 HD2 PRO A 31 18.336 -11.244 -4.756 1.00 0.00 H new ATOM 0 HD3 PRO A 31 17.174 -11.278 -6.068 1.00 0.00 H new ATOM 512 N ASP A 32 17.929 -13.124 -2.129 1.00 0.00 N ATOM 513 CA ASP A 32 18.523 -13.313 -0.776 1.00 0.00 C ATOM 514 C ASP A 32 17.564 -12.908 0.327 1.00 0.00 C ATOM 515 O ASP A 32 17.360 -13.639 1.273 1.00 0.00 O ATOM 516 CB ASP A 32 19.779 -12.438 -0.680 1.00 0.00 C ATOM 517 CG ASP A 32 20.695 -12.741 -1.866 1.00 0.00 C ATOM 518 OD1 ASP A 32 20.535 -13.822 -2.411 1.00 0.00 O ATOM 519 OD2 ASP A 32 21.502 -11.876 -2.161 1.00 0.00 O ATOM 0 H ASP A 32 18.295 -12.335 -2.661 1.00 0.00 H new ATOM 0 HA ASP A 32 18.755 -14.370 -0.646 1.00 0.00 H new ATOM 0 HB2 ASP A 32 19.503 -11.384 -0.679 1.00 0.00 H new ATOM 0 HB3 ASP A 32 20.301 -12.632 0.257 1.00 0.00 H new ATOM 524 N ALA A 33 17.014 -11.750 0.200 1.00 0.00 N ATOM 525 CA ALA A 33 16.065 -11.270 1.230 1.00 0.00 C ATOM 526 C ALA A 33 14.931 -12.271 1.455 1.00 0.00 C ATOM 527 O ALA A 33 14.521 -12.498 2.575 1.00 0.00 O ATOM 528 CB ALA A 33 15.461 -9.950 0.741 1.00 0.00 C ATOM 0 H ALA A 33 17.178 -11.107 -0.575 1.00 0.00 H new ATOM 0 HA ALA A 33 16.601 -11.143 2.170 1.00 0.00 H new ATOM 0 HB1 ALA A 33 14.757 -9.575 1.484 1.00 0.00 H new ATOM 0 HB2 ALA A 33 16.256 -9.219 0.593 1.00 0.00 H new ATOM 0 HB3 ALA A 33 14.940 -10.116 -0.202 1.00 0.00 H new ATOM 534 N SER A 34 14.444 -12.843 0.381 1.00 0.00 N ATOM 535 CA SER A 34 13.335 -13.830 0.506 1.00 0.00 C ATOM 536 C SER A 34 12.134 -13.207 1.210 1.00 0.00 C ATOM 537 O SER A 34 11.154 -13.876 1.466 1.00 0.00 O ATOM 538 CB SER A 34 13.830 -15.045 1.324 1.00 0.00 C ATOM 539 OG SER A 34 15.194 -15.181 0.963 1.00 0.00 O ATOM 0 H SER A 34 14.767 -12.668 -0.571 1.00 0.00 H new ATOM 0 HA SER A 34 13.030 -14.144 -0.492 1.00 0.00 H new ATOM 0 HB2 SER A 34 13.717 -14.876 2.395 1.00 0.00 H new ATOM 0 HB3 SER A 34 13.263 -15.944 1.082 1.00 0.00 H new ATOM 0 HG SER A 34 15.747 -14.636 1.561 1.00 0.00 H new ATOM 545 N VAL A 35 12.242 -11.928 1.495 1.00 0.00 N ATOM 546 CA VAL A 35 11.135 -11.205 2.182 1.00 0.00 C ATOM 547 C VAL A 35 10.613 -11.974 3.398 1.00 0.00 C ATOM 548 O VAL A 35 9.625 -12.680 3.314 1.00 0.00 O ATOM 549 CB VAL A 35 9.991 -11.018 1.171 1.00 0.00 C ATOM 550 CG1 VAL A 35 8.845 -10.209 1.824 1.00 0.00 C ATOM 551 CG2 VAL A 35 10.528 -10.261 -0.047 1.00 0.00 C ATOM 0 H VAL A 35 13.058 -11.356 1.277 1.00 0.00 H new ATOM 0 HA VAL A 35 11.513 -10.247 2.540 1.00 0.00 H new ATOM 0 HB VAL A 35 9.607 -11.990 0.863 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.036 -10.078 1.105 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.472 -10.746 2.696 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.218 -9.232 2.131 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.726 -10.122 -0.772 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.906 -9.288 0.267 1.00 0.00 H new ATOM 0 HG23 VAL A 35 11.335 -10.833 -0.504 1.00 0.00 H new ATOM 561 N ASN A 36 11.286 -11.814 4.510 1.00 0.00 N ATOM 562 CA ASN A 36 10.849 -12.525 5.744 1.00 0.00 C ATOM 563 C ASN A 36 9.706 -11.774 6.418 1.00 0.00 C ATOM 564 O ASN A 36 9.320 -12.093 7.526 1.00 0.00 O ATOM 565 CB ASN A 36 12.042 -12.576 6.714 1.00 0.00 C ATOM 566 CG ASN A 36 13.264 -13.136 5.984 1.00 0.00 C ATOM 567 OD1 ASN A 36 13.284 -14.278 5.571 1.00 0.00 O ATOM 568 ND2 ASN A 36 14.302 -12.367 5.805 1.00 0.00 N ATOM 0 H ASN A 36 12.113 -11.226 4.614 1.00 0.00 H new ATOM 0 HA ASN A 36 10.508 -13.527 5.483 1.00 0.00 H new ATOM 0 HB2 ASN A 36 12.258 -11.578 7.096 1.00 0.00 H new ATOM 0 HB3 ASN A 36 11.800 -13.201 7.574 1.00 0.00 H new ATOM 0 HD21 ASN A 36 15.125 -12.726 5.320 1.00 0.00 H new ATOM 0 HD22 ASN A 36 14.291 -11.407 6.150 1.00 0.00 H new ATOM 575 N PHE A 37 9.181 -10.790 5.720 1.00 0.00 N ATOM 576 CA PHE A 37 8.056 -9.987 6.282 1.00 0.00 C ATOM 577 C PHE A 37 8.401 -9.503 7.688 1.00 0.00 C ATOM 578 O PHE A 37 7.585 -9.491 8.592 1.00 0.00 O ATOM 579 CB PHE A 37 6.771 -10.854 6.277 1.00 0.00 C ATOM 580 CG PHE A 37 6.210 -10.853 4.852 1.00 0.00 C ATOM 581 CD1 PHE A 37 5.678 -9.691 4.320 1.00 0.00 C ATOM 582 CD2 PHE A 37 6.291 -11.981 4.057 1.00 0.00 C ATOM 583 CE1 PHE A 37 5.238 -9.657 3.016 1.00 0.00 C ATOM 584 CE2 PHE A 37 5.848 -11.943 2.749 1.00 0.00 C ATOM 585 CZ PHE A 37 5.324 -10.778 2.232 1.00 0.00 C ATOM 0 H PHE A 37 9.486 -10.513 4.787 1.00 0.00 H new ATOM 0 HA PHE A 37 7.885 -9.102 5.669 1.00 0.00 H new ATOM 0 HB2 PHE A 37 6.995 -11.871 6.598 1.00 0.00 H new ATOM 0 HB3 PHE A 37 6.037 -10.453 6.976 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.608 -8.804 4.933 1.00 0.00 H new ATOM 0 HD2 PHE A 37 6.702 -12.895 4.460 1.00 0.00 H new ATOM 0 HE1 PHE A 37 4.824 -8.746 2.610 1.00 0.00 H new ATOM 0 HE2 PHE A 37 5.912 -12.827 2.131 1.00 0.00 H new ATOM 0 HZ PHE A 37 4.981 -10.748 1.208 1.00 0.00 H new ATOM 595 N SER A 38 9.628 -9.117 7.825 1.00 0.00 N ATOM 596 CA SER A 38 10.131 -8.618 9.118 1.00 0.00 C ATOM 597 C SER A 38 11.346 -7.760 8.844 1.00 0.00 C ATOM 598 O SER A 38 12.011 -7.289 9.750 1.00 0.00 O ATOM 599 CB SER A 38 10.536 -9.815 9.994 1.00 0.00 C ATOM 600 OG SER A 38 11.583 -10.438 9.268 1.00 0.00 O ATOM 0 H SER A 38 10.319 -9.127 7.075 1.00 0.00 H new ATOM 0 HA SER A 38 9.365 -8.038 9.633 1.00 0.00 H new ATOM 0 HB2 SER A 38 10.872 -9.492 10.979 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.699 -10.496 10.150 1.00 0.00 H new ATOM 0 HG SER A 38 11.904 -11.220 9.763 1.00 0.00 H new ATOM 606 N GLU A 39 11.602 -7.577 7.561 1.00 0.00 N ATOM 607 CA GLU A 39 12.758 -6.760 7.110 1.00 0.00 C ATOM 608 C GLU A 39 12.417 -6.060 5.801 1.00 0.00 C ATOM 609 O GLU A 39 12.989 -5.040 5.468 1.00 0.00 O ATOM 610 CB GLU A 39 13.948 -7.704 6.866 1.00 0.00 C ATOM 611 CG GLU A 39 14.511 -8.164 8.213 1.00 0.00 C ATOM 612 CD GLU A 39 15.773 -9.000 7.977 1.00 0.00 C ATOM 613 OE1 GLU A 39 15.889 -9.504 6.874 1.00 0.00 O ATOM 614 OE2 GLU A 39 16.549 -9.084 8.915 1.00 0.00 O ATOM 0 H GLU A 39 11.042 -7.971 6.805 1.00 0.00 H new ATOM 0 HA GLU A 39 13.000 -6.014 7.867 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.630 -8.565 6.278 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.720 -7.193 6.291 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.744 -7.301 8.836 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.766 -8.752 8.749 1.00 0.00 H new ATOM 621 N PHE A 40 11.484 -6.630 5.082 1.00 0.00 N ATOM 622 CA PHE A 40 11.076 -6.032 3.790 1.00 0.00 C ATOM 623 C PHE A 40 10.170 -4.826 4.010 1.00 0.00 C ATOM 624 O PHE A 40 10.477 -3.744 3.567 1.00 0.00 O ATOM 625 CB PHE A 40 10.320 -7.085 2.980 1.00 0.00 C ATOM 626 CG PHE A 40 9.921 -6.477 1.638 1.00 0.00 C ATOM 627 CD1 PHE A 40 10.890 -6.036 0.756 1.00 0.00 C ATOM 628 CD2 PHE A 40 8.587 -6.319 1.305 1.00 0.00 C ATOM 629 CE1 PHE A 40 10.534 -5.448 -0.429 1.00 0.00 C ATOM 630 CE2 PHE A 40 8.235 -5.729 0.116 1.00 0.00 C ATOM 631 CZ PHE A 40 9.211 -5.289 -0.752 1.00 0.00 C ATOM 0 H PHE A 40 10.991 -7.485 5.340 1.00 0.00 H new ATOM 0 HA PHE A 40 11.967 -5.702 3.257 1.00 0.00 H new ATOM 0 HB2 PHE A 40 10.946 -7.964 2.825 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.435 -7.416 3.523 1.00 0.00 H new ATOM 0 HD1 PHE A 40 11.935 -6.156 1.003 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.819 -6.661 1.983 1.00 0.00 H new ATOM 0 HE1 PHE A 40 11.299 -5.108 -1.112 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.192 -5.610 -0.139 1.00 0.00 H new ATOM 0 HZ PHE A 40 8.934 -4.820 -1.685 1.00 0.00 H new ATOM 641 N SER A 41 9.034 -5.047 4.630 1.00 0.00 N ATOM 642 CA SER A 41 8.112 -3.914 4.882 1.00 0.00 C ATOM 643 C SER A 41 8.856 -2.811 5.605 1.00 0.00 C ATOM 644 O SER A 41 8.553 -1.663 5.450 1.00 0.00 O ATOM 645 CB SER A 41 6.947 -4.403 5.761 1.00 0.00 C ATOM 646 OG SER A 41 7.569 -5.197 6.762 1.00 0.00 O ATOM 0 H SER A 41 8.715 -5.956 4.966 1.00 0.00 H new ATOM 0 HA SER A 41 7.728 -3.533 3.936 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.401 -3.567 6.199 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.229 -4.984 5.182 1.00 0.00 H new ATOM 0 HG SER A 41 6.887 -5.549 7.371 1.00 0.00 H new ATOM 652 N LYS A 42 9.815 -3.181 6.400 1.00 0.00 N ATOM 653 CA LYS A 42 10.567 -2.143 7.113 1.00 0.00 C ATOM 654 C LYS A 42 11.228 -1.252 6.077 1.00 0.00 C ATOM 655 O LYS A 42 11.421 -0.069 6.280 1.00 0.00 O ATOM 656 CB LYS A 42 11.654 -2.819 7.969 1.00 0.00 C ATOM 657 CG LYS A 42 11.002 -3.866 8.896 1.00 0.00 C ATOM 658 CD LYS A 42 10.093 -3.158 9.963 1.00 0.00 C ATOM 659 CE LYS A 42 8.605 -3.289 9.574 1.00 0.00 C ATOM 660 NZ LYS A 42 7.812 -2.190 10.191 1.00 0.00 N ATOM 0 H LYS A 42 10.101 -4.143 6.580 1.00 0.00 H new ATOM 0 HA LYS A 42 9.909 -1.557 7.755 1.00 0.00 H new ATOM 0 HB2 LYS A 42 12.393 -3.297 7.326 1.00 0.00 H new ATOM 0 HB3 LYS A 42 12.182 -2.072 8.561 1.00 0.00 H new ATOM 0 HG2 LYS A 42 10.407 -4.563 8.306 1.00 0.00 H new ATOM 0 HG3 LYS A 42 11.774 -4.450 9.396 1.00 0.00 H new ATOM 0 HD2 LYS A 42 10.259 -3.602 10.944 1.00 0.00 H new ATOM 0 HD3 LYS A 42 10.364 -2.105 10.040 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.501 -3.257 8.489 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.219 -4.254 9.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.812 -2.290 9.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 7.898 -2.239 11.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.171 -1.273 9.857 1.00 0.00 H new ATOM 674 N LYS A 43 11.558 -1.865 4.968 1.00 0.00 N ATOM 675 CA LYS A 43 12.200 -1.143 3.872 1.00 0.00 C ATOM 676 C LYS A 43 11.165 -0.359 3.052 1.00 0.00 C ATOM 677 O LYS A 43 11.332 0.821 2.818 1.00 0.00 O ATOM 678 CB LYS A 43 12.872 -2.212 2.975 1.00 0.00 C ATOM 679 CG LYS A 43 14.160 -1.663 2.353 1.00 0.00 C ATOM 680 CD LYS A 43 14.915 -2.830 1.730 1.00 0.00 C ATOM 681 CE LYS A 43 16.054 -2.292 0.858 1.00 0.00 C ATOM 682 NZ LYS A 43 17.084 -1.618 1.699 1.00 0.00 N ATOM 0 H LYS A 43 11.398 -2.857 4.790 1.00 0.00 H new ATOM 0 HA LYS A 43 12.924 -0.425 4.259 1.00 0.00 H new ATOM 0 HB2 LYS A 43 13.097 -3.100 3.565 1.00 0.00 H new ATOM 0 HB3 LYS A 43 12.184 -2.518 2.187 1.00 0.00 H new ATOM 0 HG2 LYS A 43 13.929 -0.912 1.598 1.00 0.00 H new ATOM 0 HG3 LYS A 43 14.772 -1.175 3.112 1.00 0.00 H new ATOM 0 HD2 LYS A 43 15.315 -3.477 2.511 1.00 0.00 H new ATOM 0 HD3 LYS A 43 14.237 -3.436 1.129 1.00 0.00 H new ATOM 0 HE2 LYS A 43 16.510 -3.110 0.300 1.00 0.00 H new ATOM 0 HE3 LYS A 43 15.658 -1.589 0.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 17.895 -1.350 1.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 16.675 -0.766 2.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 17.402 -2.268 2.446 1.00 0.00 H new ATOM 696 N CYS A 44 10.103 -1.031 2.626 1.00 0.00 N ATOM 697 CA CYS A 44 9.087 -0.322 1.838 1.00 0.00 C ATOM 698 C CYS A 44 8.544 0.834 2.639 1.00 0.00 C ATOM 699 O CYS A 44 8.142 1.845 2.098 1.00 0.00 O ATOM 700 CB CYS A 44 7.969 -1.298 1.522 1.00 0.00 C ATOM 701 SG CYS A 44 8.418 -2.824 0.667 1.00 0.00 S ATOM 0 H CYS A 44 9.920 -2.020 2.798 1.00 0.00 H new ATOM 0 HA CYS A 44 9.522 0.063 0.916 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.482 -1.567 2.459 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.228 -0.777 0.916 1.00 0.00 H new ATOM 0 HG CYS A 44 7.847 -3.834 1.254 1.00 0.00 H new ATOM 707 N SER A 45 8.541 0.659 3.920 1.00 0.00 N ATOM 708 CA SER A 45 8.032 1.734 4.801 1.00 0.00 C ATOM 709 C SER A 45 8.899 2.961 4.643 1.00 0.00 C ATOM 710 O SER A 45 8.409 4.046 4.451 1.00 0.00 O ATOM 711 CB SER A 45 8.102 1.255 6.263 1.00 0.00 C ATOM 712 OG SER A 45 7.946 2.441 7.027 1.00 0.00 O ATOM 0 H SER A 45 8.868 -0.181 4.398 1.00 0.00 H new ATOM 0 HA SER A 45 7.003 1.974 4.534 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.316 0.533 6.483 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.052 0.766 6.477 1.00 0.00 H new ATOM 0 HG SER A 45 7.978 2.222 7.982 1.00 0.00 H new ATOM 718 N GLU A 46 10.182 2.768 4.730 1.00 0.00 N ATOM 719 CA GLU A 46 11.084 3.924 4.582 1.00 0.00 C ATOM 720 C GLU A 46 10.955 4.497 3.178 1.00 0.00 C ATOM 721 O GLU A 46 11.322 5.629 2.926 1.00 0.00 O ATOM 722 CB GLU A 46 12.536 3.452 4.807 1.00 0.00 C ATOM 723 CG GLU A 46 13.419 4.667 5.103 1.00 0.00 C ATOM 724 CD GLU A 46 14.821 4.195 5.501 1.00 0.00 C ATOM 725 OE1 GLU A 46 15.156 3.093 5.097 1.00 0.00 O ATOM 726 OE2 GLU A 46 15.478 4.964 6.186 1.00 0.00 O ATOM 0 H GLU A 46 10.635 1.869 4.895 1.00 0.00 H new ATOM 0 HA GLU A 46 10.821 4.692 5.310 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.577 2.746 5.637 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.902 2.928 3.924 1.00 0.00 H new ATOM 0 HG2 GLU A 46 13.476 5.311 4.225 1.00 0.00 H new ATOM 0 HG3 GLU A 46 12.982 5.261 5.906 1.00 0.00 H new ATOM 733 N ARG A 47 10.416 3.685 2.287 1.00 0.00 N ATOM 734 CA ARG A 47 10.228 4.114 0.877 1.00 0.00 C ATOM 735 C ARG A 47 8.862 4.790 0.690 1.00 0.00 C ATOM 736 O ARG A 47 8.605 5.408 -0.329 1.00 0.00 O ATOM 737 CB ARG A 47 10.296 2.845 -0.012 1.00 0.00 C ATOM 738 CG ARG A 47 10.742 3.230 -1.421 1.00 0.00 C ATOM 739 CD ARG A 47 10.876 1.958 -2.269 1.00 0.00 C ATOM 740 NE ARG A 47 12.069 1.189 -1.805 1.00 0.00 N ATOM 741 CZ ARG A 47 12.434 0.114 -2.456 1.00 0.00 C ATOM 742 NH1 ARG A 47 11.742 -0.258 -3.498 1.00 0.00 N ATOM 743 NH2 ARG A 47 13.485 -0.544 -2.047 1.00 0.00 N ATOM 0 H ARG A 47 10.099 2.737 2.491 1.00 0.00 H new ATOM 0 HA ARG A 47 11.002 4.831 0.604 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.993 2.125 0.417 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.320 2.361 -0.048 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.018 3.909 -1.872 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.694 3.759 -1.383 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.977 1.349 -2.179 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.981 2.217 -3.323 1.00 0.00 H new ATOM 0 HE ARG A 47 12.595 1.499 -0.988 1.00 0.00 H new ATOM 0 HH11 ARG A 47 10.931 0.286 -3.793 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.012 -1.093 -4.018 1.00 0.00 H new ATOM 0 HH21 ARG A 47 14.006 -0.218 -1.233 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.785 -1.384 -2.541 1.00 0.00 H new ATOM 757 N TRP A 48 8.019 4.638 1.696 1.00 0.00 N ATOM 758 CA TRP A 48 6.643 5.238 1.674 1.00 0.00 C ATOM 759 C TRP A 48 6.590 6.485 2.564 1.00 0.00 C ATOM 760 O TRP A 48 6.289 7.568 2.100 1.00 0.00 O ATOM 761 CB TRP A 48 5.710 4.132 2.215 1.00 0.00 C ATOM 762 CG TRP A 48 4.448 4.692 2.878 1.00 0.00 C ATOM 763 CD1 TRP A 48 4.347 4.893 4.173 1.00 0.00 C ATOM 764 CD2 TRP A 48 3.280 4.810 2.293 1.00 0.00 C ATOM 765 NE1 TRP A 48 3.034 5.114 4.363 1.00 0.00 N ATOM 766 CE2 TRP A 48 2.286 5.078 3.212 1.00 0.00 C ATOM 767 CE3 TRP A 48 2.966 4.689 0.961 1.00 0.00 C ATOM 768 CZ2 TRP A 48 0.977 5.208 2.806 1.00 0.00 C ATOM 769 CZ3 TRP A 48 1.644 4.826 0.549 1.00 0.00 C ATOM 770 CH2 TRP A 48 0.653 5.082 1.479 1.00 0.00 C ATOM 0 H TRP A 48 8.235 4.114 2.544 1.00 0.00 H new ATOM 0 HA TRP A 48 6.349 5.558 0.674 1.00 0.00 H new ATOM 0 HB2 TRP A 48 5.423 3.473 1.396 1.00 0.00 H new ATOM 0 HB3 TRP A 48 6.255 3.524 2.937 1.00 0.00 H new ATOM 0 HD1 TRP A 48 5.135 4.883 4.912 1.00 0.00 H new ATOM 0 HE1 TRP A 48 2.629 5.293 5.282 1.00 0.00 H new ATOM 0 HE3 TRP A 48 3.742 4.488 0.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 0.204 5.409 3.533 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 1.392 4.732 -0.497 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -0.374 5.183 1.161 1.00 0.00 H new ATOM 781 N LYS A 49 6.873 6.287 3.825 1.00 0.00 N ATOM 782 CA LYS A 49 6.861 7.439 4.810 1.00 0.00 C ATOM 783 C LYS A 49 7.594 8.652 4.235 1.00 0.00 C ATOM 784 O LYS A 49 7.354 9.781 4.618 1.00 0.00 O ATOM 785 CB LYS A 49 7.640 7.016 6.084 1.00 0.00 C ATOM 786 CG LYS A 49 6.893 5.910 6.845 1.00 0.00 C ATOM 787 CD LYS A 49 7.556 5.717 8.222 1.00 0.00 C ATOM 788 CE LYS A 49 6.664 4.835 9.098 1.00 0.00 C ATOM 789 NZ LYS A 49 7.293 4.631 10.433 1.00 0.00 N ATOM 0 H LYS A 49 7.114 5.381 4.227 1.00 0.00 H new ATOM 0 HA LYS A 49 5.822 7.690 5.025 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.634 6.664 5.807 1.00 0.00 H new ATOM 0 HB3 LYS A 49 7.778 7.880 6.734 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.844 6.179 6.966 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.920 4.979 6.279 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.537 5.257 8.104 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.713 6.684 8.701 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.685 5.300 9.216 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.503 3.872 8.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.678 4.031 11.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.217 4.168 10.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.424 5.551 10.899 1.00 0.00 H new ATOM 803 N THR A 50 8.473 8.370 3.329 1.00 0.00 N ATOM 804 CA THR A 50 9.268 9.431 2.680 1.00 0.00 C ATOM 805 C THR A 50 8.450 10.290 1.735 1.00 0.00 C ATOM 806 O THR A 50 8.602 11.497 1.700 1.00 0.00 O ATOM 807 CB THR A 50 10.333 8.733 1.854 1.00 0.00 C ATOM 808 OG1 THR A 50 10.930 9.747 1.071 1.00 0.00 O ATOM 809 CG2 THR A 50 9.670 7.786 0.838 1.00 0.00 C ATOM 0 H THR A 50 8.678 7.425 3.004 1.00 0.00 H new ATOM 0 HA THR A 50 9.669 10.084 3.456 1.00 0.00 H new ATOM 0 HB THR A 50 11.020 8.189 2.502 1.00 0.00 H new ATOM 0 HG1 THR A 50 11.634 9.357 0.511 1.00 0.00 H new ATOM 0 HG21 THR A 50 10.440 7.288 0.248 1.00 0.00 H new ATOM 0 HG22 THR A 50 9.080 7.039 1.368 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.020 8.359 0.177 1.00 0.00 H new ATOM 817 N MET A 51 7.618 9.656 0.977 1.00 0.00 N ATOM 818 CA MET A 51 6.779 10.410 0.020 1.00 0.00 C ATOM 819 C MET A 51 5.927 11.461 0.713 1.00 0.00 C ATOM 820 O MET A 51 5.946 11.576 1.924 1.00 0.00 O ATOM 821 CB MET A 51 5.857 9.418 -0.705 1.00 0.00 C ATOM 822 CG MET A 51 6.694 8.256 -1.258 1.00 0.00 C ATOM 823 SD MET A 51 5.943 7.229 -2.548 1.00 0.00 S ATOM 824 CE MET A 51 4.502 6.677 -1.601 1.00 0.00 C ATOM 0 H MET A 51 7.480 8.645 0.977 1.00 0.00 H new ATOM 0 HA MET A 51 7.437 10.925 -0.680 1.00 0.00 H new ATOM 0 HB2 MET A 51 5.099 9.041 -0.019 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.330 9.920 -1.517 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.623 8.668 -1.653 1.00 0.00 H new ATOM 0 HG3 MET A 51 6.962 7.607 -0.424 1.00 0.00 H new ATOM 0 HE1 MET A 51 4.029 5.840 -2.114 1.00 0.00 H new ATOM 0 HE2 MET A 51 4.819 6.362 -0.607 1.00 0.00 H new ATOM 0 HE3 MET A 51 3.790 7.497 -1.511 1.00 0.00 H new ATOM 834 N SER A 52 5.174 12.196 -0.094 1.00 0.00 N ATOM 835 CA SER A 52 4.277 13.275 0.448 1.00 0.00 C ATOM 836 C SER A 52 2.817 12.880 0.307 1.00 0.00 C ATOM 837 O SER A 52 2.499 11.945 -0.392 1.00 0.00 O ATOM 838 CB SER A 52 4.515 14.544 -0.386 1.00 0.00 C ATOM 839 OG SER A 52 5.795 14.998 0.030 1.00 0.00 O ATOM 0 H SER A 52 5.147 12.089 -1.108 1.00 0.00 H new ATOM 0 HA SER A 52 4.499 13.436 1.503 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.497 14.328 -1.454 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.746 15.294 -0.199 1.00 0.00 H new ATOM 0 HG SER A 52 6.028 15.814 -0.461 1.00 0.00 H new ATOM 845 N ALA A 53 1.956 13.596 0.988 1.00 0.00 N ATOM 846 CA ALA A 53 0.511 13.277 0.907 1.00 0.00 C ATOM 847 C ALA A 53 0.044 13.205 -0.533 1.00 0.00 C ATOM 848 O ALA A 53 -0.947 12.579 -0.834 1.00 0.00 O ATOM 849 CB ALA A 53 -0.273 14.380 1.611 1.00 0.00 C ATOM 0 H ALA A 53 2.197 14.382 1.592 1.00 0.00 H new ATOM 0 HA ALA A 53 0.345 12.309 1.379 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.339 14.158 1.559 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.036 14.436 2.655 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.077 15.334 1.123 1.00 0.00 H new ATOM 855 N LYS A 54 0.759 13.855 -1.402 1.00 0.00 N ATOM 856 CA LYS A 54 0.357 13.824 -2.822 1.00 0.00 C ATOM 857 C LYS A 54 0.354 12.387 -3.324 1.00 0.00 C ATOM 858 O LYS A 54 -0.674 11.866 -3.732 1.00 0.00 O ATOM 859 CB LYS A 54 1.374 14.643 -3.634 1.00 0.00 C ATOM 860 CG LYS A 54 1.215 16.124 -3.279 1.00 0.00 C ATOM 861 CD LYS A 54 2.361 16.929 -3.916 1.00 0.00 C ATOM 862 CE LYS A 54 2.230 16.908 -5.447 1.00 0.00 C ATOM 863 NZ LYS A 54 2.953 18.069 -6.042 1.00 0.00 N ATOM 0 H LYS A 54 1.595 14.400 -1.190 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.643 14.243 -2.934 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.388 14.309 -3.414 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.213 14.492 -4.701 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.254 16.494 -3.636 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.223 16.253 -2.197 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.339 17.957 -3.555 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.321 16.508 -3.619 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.636 15.977 -5.841 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.178 16.942 -5.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.857 18.044 -7.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.547 18.954 -5.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.960 18.019 -5.786 1.00 0.00 H new ATOM 877 N GLU A 55 1.499 11.757 -3.274 1.00 0.00 N ATOM 878 CA GLU A 55 1.567 10.359 -3.745 1.00 0.00 C ATOM 879 C GLU A 55 0.832 9.446 -2.782 1.00 0.00 C ATOM 880 O GLU A 55 0.129 8.539 -3.192 1.00 0.00 O ATOM 881 CB GLU A 55 3.038 9.925 -3.801 1.00 0.00 C ATOM 882 CG GLU A 55 3.845 10.963 -4.581 1.00 0.00 C ATOM 883 CD GLU A 55 5.219 10.382 -4.919 1.00 0.00 C ATOM 884 OE1 GLU A 55 5.992 10.243 -3.985 1.00 0.00 O ATOM 885 OE2 GLU A 55 5.418 10.111 -6.090 1.00 0.00 O ATOM 0 H GLU A 55 2.375 12.151 -2.931 1.00 0.00 H new ATOM 0 HA GLU A 55 1.107 10.292 -4.731 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.437 9.822 -2.792 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.123 8.949 -4.279 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.319 11.239 -5.495 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.957 11.873 -3.991 1.00 0.00 H new ATOM 892 N LYS A 56 0.981 9.714 -1.509 1.00 0.00 N ATOM 893 CA LYS A 56 0.299 8.870 -0.517 1.00 0.00 C ATOM 894 C LYS A 56 -1.195 9.150 -0.565 1.00 0.00 C ATOM 895 O LYS A 56 -1.982 8.493 0.087 1.00 0.00 O ATOM 896 CB LYS A 56 0.862 9.216 0.884 1.00 0.00 C ATOM 897 CG LYS A 56 2.111 8.376 1.154 1.00 0.00 C ATOM 898 CD LYS A 56 2.709 8.770 2.521 1.00 0.00 C ATOM 899 CE LYS A 56 3.369 10.165 2.440 1.00 0.00 C ATOM 900 NZ LYS A 56 2.391 11.225 2.813 1.00 0.00 N ATOM 0 H LYS A 56 1.543 10.476 -1.129 1.00 0.00 H new ATOM 0 HA LYS A 56 0.466 7.814 -0.730 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.106 10.277 0.938 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.109 9.023 1.648 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.858 7.316 1.148 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.846 8.533 0.364 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.926 8.775 3.279 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.447 8.029 2.829 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.231 10.206 3.106 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.738 10.341 1.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 2.884 12.136 2.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.660 11.297 2.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.945 10.982 3.721 1.00 0.00 H new ATOM 914 N GLY A 57 -1.552 10.138 -1.349 1.00 0.00 N ATOM 915 CA GLY A 57 -2.987 10.504 -1.479 1.00 0.00 C ATOM 916 C GLY A 57 -3.655 9.550 -2.463 1.00 0.00 C ATOM 917 O GLY A 57 -4.785 9.141 -2.280 1.00 0.00 O ATOM 0 H GLY A 57 -0.908 10.704 -1.902 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.479 10.449 -0.508 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.083 11.532 -1.827 1.00 0.00 H new ATOM 921 N LYS A 58 -2.933 9.224 -3.497 1.00 0.00 N ATOM 922 CA LYS A 58 -3.479 8.303 -4.514 1.00 0.00 C ATOM 923 C LYS A 58 -3.500 6.869 -3.944 1.00 0.00 C ATOM 924 O LYS A 58 -4.301 6.038 -4.341 1.00 0.00 O ATOM 925 CB LYS A 58 -2.554 8.446 -5.787 1.00 0.00 C ATOM 926 CG LYS A 58 -2.247 7.087 -6.473 1.00 0.00 C ATOM 927 CD LYS A 58 -1.041 6.400 -5.776 1.00 0.00 C ATOM 928 CE LYS A 58 0.272 6.897 -6.401 1.00 0.00 C ATOM 929 NZ LYS A 58 0.535 6.200 -7.690 1.00 0.00 N ATOM 0 H LYS A 58 -1.987 9.560 -3.677 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.507 8.538 -4.790 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.036 9.109 -6.506 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.616 8.919 -5.496 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.123 6.440 -6.424 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.026 7.245 -7.529 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.053 6.620 -4.708 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.117 5.318 -5.880 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.218 7.973 -6.568 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.098 6.723 -5.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.451 6.511 -8.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.557 5.173 -7.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.219 6.429 -8.369 1.00 0.00 H new ATOM 943 N PHE A 59 -2.657 6.640 -2.973 1.00 0.00 N ATOM 944 CA PHE A 59 -2.591 5.287 -2.348 1.00 0.00 C ATOM 945 C PHE A 59 -3.661 5.215 -1.300 1.00 0.00 C ATOM 946 O PHE A 59 -4.114 4.152 -0.923 1.00 0.00 O ATOM 947 CB PHE A 59 -1.212 5.102 -1.669 1.00 0.00 C ATOM 948 CG PHE A 59 -0.173 4.658 -2.709 1.00 0.00 C ATOM 949 CD1 PHE A 59 -0.325 3.465 -3.394 1.00 0.00 C ATOM 950 CD2 PHE A 59 0.943 5.437 -2.968 1.00 0.00 C ATOM 951 CE1 PHE A 59 0.614 3.066 -4.317 1.00 0.00 C ATOM 952 CE2 PHE A 59 1.879 5.036 -3.889 1.00 0.00 C ATOM 953 CZ PHE A 59 1.716 3.850 -4.565 1.00 0.00 C ATOM 0 H PHE A 59 -2.013 7.330 -2.586 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.730 4.512 -3.101 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -0.898 6.036 -1.204 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.285 4.359 -0.875 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.187 2.843 -3.203 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.078 6.369 -2.440 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.485 2.135 -4.848 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.744 5.653 -4.083 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.452 3.535 -5.290 1.00 0.00 H new ATOM 963 N GLU A 60 -4.048 6.371 -0.845 1.00 0.00 N ATOM 964 CA GLU A 60 -5.087 6.441 0.181 1.00 0.00 C ATOM 965 C GLU A 60 -6.418 6.213 -0.492 1.00 0.00 C ATOM 966 O GLU A 60 -7.386 5.826 0.134 1.00 0.00 O ATOM 967 CB GLU A 60 -5.035 7.862 0.807 1.00 0.00 C ATOM 968 CG GLU A 60 -4.261 7.827 2.135 1.00 0.00 C ATOM 969 CD GLU A 60 -5.171 7.298 3.252 1.00 0.00 C ATOM 970 OE1 GLU A 60 -6.127 6.622 2.903 1.00 0.00 O ATOM 971 OE2 GLU A 60 -4.860 7.599 4.392 1.00 0.00 O ATOM 0 H GLU A 60 -3.678 7.271 -1.151 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.943 5.693 0.960 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.555 8.555 0.116 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.047 8.230 0.977 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.382 7.190 2.037 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.905 8.826 2.386 1.00 0.00 H new ATOM 978 N ASP A 61 -6.433 6.461 -1.774 1.00 0.00 N ATOM 979 CA ASP A 61 -7.683 6.271 -2.541 1.00 0.00 C ATOM 980 C ASP A 61 -7.880 4.798 -2.835 1.00 0.00 C ATOM 981 O ASP A 61 -8.994 4.327 -2.929 1.00 0.00 O ATOM 982 CB ASP A 61 -7.561 7.040 -3.862 1.00 0.00 C ATOM 983 CG ASP A 61 -8.846 6.860 -4.674 1.00 0.00 C ATOM 984 OD1 ASP A 61 -9.875 7.266 -4.158 1.00 0.00 O ATOM 985 OD2 ASP A 61 -8.727 6.327 -5.766 1.00 0.00 O ATOM 0 H ASP A 61 -5.633 6.786 -2.316 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.534 6.637 -1.966 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -7.387 8.098 -3.665 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -6.705 6.676 -4.430 1.00 0.00 H new ATOM 990 N MET A 62 -6.790 4.091 -3.003 1.00 0.00 N ATOM 991 CA MET A 62 -6.914 2.651 -3.286 1.00 0.00 C ATOM 992 C MET A 62 -7.362 1.933 -2.035 1.00 0.00 C ATOM 993 O MET A 62 -8.275 1.141 -2.070 1.00 0.00 O ATOM 994 CB MET A 62 -5.544 2.096 -3.743 1.00 0.00 C ATOM 995 CG MET A 62 -5.151 2.704 -5.120 1.00 0.00 C ATOM 996 SD MET A 62 -4.198 1.654 -6.246 1.00 0.00 S ATOM 997 CE MET A 62 -2.611 1.786 -5.391 1.00 0.00 C ATOM 0 H MET A 62 -5.838 4.453 -2.955 1.00 0.00 H new ATOM 0 HA MET A 62 -7.648 2.494 -4.077 1.00 0.00 H new ATOM 0 HB2 MET A 62 -4.781 2.333 -3.001 1.00 0.00 H new ATOM 0 HB3 MET A 62 -5.590 1.009 -3.817 1.00 0.00 H new ATOM 0 HG2 MET A 62 -6.066 3.004 -5.631 1.00 0.00 H new ATOM 0 HG3 MET A 62 -4.576 3.612 -4.937 1.00 0.00 H new ATOM 0 HE1 MET A 62 -1.903 1.081 -5.827 1.00 0.00 H new ATOM 0 HE2 MET A 62 -2.225 2.800 -5.495 1.00 0.00 H new ATOM 0 HE3 MET A 62 -2.747 1.557 -4.334 1.00 0.00 H new ATOM 1007 N ALA A 63 -6.708 2.213 -0.943 1.00 0.00 N ATOM 1008 CA ALA A 63 -7.107 1.544 0.308 1.00 0.00 C ATOM 1009 C ALA A 63 -8.558 1.905 0.618 1.00 0.00 C ATOM 1010 O ALA A 63 -9.264 1.159 1.267 1.00 0.00 O ATOM 1011 CB ALA A 63 -6.186 2.029 1.452 1.00 0.00 C ATOM 0 H ALA A 63 -5.928 2.866 -0.870 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.017 0.462 0.207 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.473 1.540 2.383 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -5.151 1.781 1.216 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.284 3.109 1.565 1.00 0.00 H new ATOM 1017 N LYS A 64 -8.971 3.060 0.145 1.00 0.00 N ATOM 1018 CA LYS A 64 -10.361 3.489 0.391 1.00 0.00 C ATOM 1019 C LYS A 64 -11.290 2.711 -0.520 1.00 0.00 C ATOM 1020 O LYS A 64 -12.409 2.399 -0.163 1.00 0.00 O ATOM 1021 CB LYS A 64 -10.486 4.992 0.084 1.00 0.00 C ATOM 1022 CG LYS A 64 -11.947 5.416 0.236 1.00 0.00 C ATOM 1023 CD LYS A 64 -12.025 6.947 0.256 1.00 0.00 C ATOM 1024 CE LYS A 64 -13.475 7.380 0.035 1.00 0.00 C ATOM 1025 NZ LYS A 64 -13.637 8.828 0.348 1.00 0.00 N ATOM 0 H LYS A 64 -8.400 3.710 -0.395 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.628 3.303 1.431 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.855 5.568 0.762 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.138 5.199 -0.928 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.541 5.020 -0.587 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -12.364 5.006 1.156 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -11.660 7.329 1.209 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.385 7.366 -0.521 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -13.765 7.190 -0.998 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -14.138 6.788 0.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -14.627 9.108 0.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -13.380 8.999 1.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -13.018 9.389 -0.272 1.00 0.00 H new ATOM 1039 N ALA A 65 -10.798 2.404 -1.697 1.00 0.00 N ATOM 1040 CA ALA A 65 -11.620 1.649 -2.646 1.00 0.00 C ATOM 1041 C ALA A 65 -11.706 0.215 -2.197 1.00 0.00 C ATOM 1042 O ALA A 65 -12.680 -0.468 -2.447 1.00 0.00 O ATOM 1043 CB ALA A 65 -10.963 1.710 -4.036 1.00 0.00 C ATOM 0 H ALA A 65 -9.864 2.650 -2.025 1.00 0.00 H new ATOM 0 HA ALA A 65 -12.621 2.077 -2.692 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.568 1.150 -4.749 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.890 2.749 -4.358 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.965 1.274 -3.986 1.00 0.00 H new ATOM 1049 N ASP A 66 -10.674 -0.217 -1.537 1.00 0.00 N ATOM 1050 CA ASP A 66 -10.648 -1.604 -1.045 1.00 0.00 C ATOM 1051 C ASP A 66 -11.523 -1.694 0.179 1.00 0.00 C ATOM 1052 O ASP A 66 -12.193 -2.679 0.394 1.00 0.00 O ATOM 1053 CB ASP A 66 -9.195 -1.969 -0.676 1.00 0.00 C ATOM 1054 CG ASP A 66 -9.051 -3.490 -0.633 1.00 0.00 C ATOM 1055 OD1 ASP A 66 -9.270 -4.023 0.442 1.00 0.00 O ATOM 1056 OD2 ASP A 66 -8.729 -4.034 -1.677 1.00 0.00 O ATOM 0 H ASP A 66 -9.846 0.338 -1.319 1.00 0.00 H new ATOM 0 HA ASP A 66 -11.014 -2.291 -1.808 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.505 -1.548 -1.407 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.935 -1.540 0.292 1.00 0.00 H new ATOM 1061 N LYS A 67 -11.483 -0.657 0.977 1.00 0.00 N ATOM 1062 CA LYS A 67 -12.303 -0.652 2.187 1.00 0.00 C ATOM 1063 C LYS A 67 -13.752 -0.871 1.800 1.00 0.00 C ATOM 1064 O LYS A 67 -14.524 -1.423 2.554 1.00 0.00 O ATOM 1065 CB LYS A 67 -12.158 0.721 2.863 1.00 0.00 C ATOM 1066 CG LYS A 67 -13.041 0.773 4.108 1.00 0.00 C ATOM 1067 CD LYS A 67 -12.660 2.006 4.932 1.00 0.00 C ATOM 1068 CE LYS A 67 -13.566 2.095 6.160 1.00 0.00 C ATOM 1069 NZ LYS A 67 -13.319 0.947 7.076 1.00 0.00 N ATOM 0 H LYS A 67 -10.914 0.176 0.829 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.985 -1.441 2.868 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.117 0.896 3.135 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -12.443 1.512 2.169 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.092 0.819 3.823 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.911 -0.132 4.701 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.616 1.943 5.240 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -12.760 2.907 4.327 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -13.385 3.033 6.686 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -14.611 2.101 5.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -13.742 1.147 8.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -13.747 0.087 6.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.295 0.805 7.186 1.00 0.00 H new ATOM 1083 N ALA A 68 -14.096 -0.418 0.607 1.00 0.00 N ATOM 1084 CA ALA A 68 -15.485 -0.584 0.133 1.00 0.00 C ATOM 1085 C ALA A 68 -15.705 -1.991 -0.393 1.00 0.00 C ATOM 1086 O ALA A 68 -16.693 -2.625 -0.081 1.00 0.00 O ATOM 1087 CB ALA A 68 -15.734 0.416 -1.006 1.00 0.00 C ATOM 0 H ALA A 68 -13.467 0.054 -0.042 1.00 0.00 H new ATOM 0 HA ALA A 68 -16.170 -0.407 0.962 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -16.756 0.307 -1.369 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -15.586 1.431 -0.638 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -15.037 0.220 -1.821 1.00 0.00 H new ATOM 1093 N ARG A 69 -14.785 -2.455 -1.183 1.00 0.00 N ATOM 1094 CA ARG A 69 -14.933 -3.821 -1.736 1.00 0.00 C ATOM 1095 C ARG A 69 -14.901 -4.844 -0.599 1.00 0.00 C ATOM 1096 O ARG A 69 -15.404 -5.944 -0.728 1.00 0.00 O ATOM 1097 CB ARG A 69 -13.770 -4.078 -2.777 1.00 0.00 C ATOM 1098 CG ARG A 69 -12.655 -4.986 -2.196 1.00 0.00 C ATOM 1099 CD ARG A 69 -11.557 -5.159 -3.243 1.00 0.00 C ATOM 1100 NE ARG A 69 -11.072 -3.819 -3.671 1.00 0.00 N ATOM 1101 CZ ARG A 69 -10.010 -3.734 -4.432 1.00 0.00 C ATOM 1102 NH1 ARG A 69 -9.404 -4.831 -4.797 1.00 0.00 N ATOM 1103 NH2 ARG A 69 -9.594 -2.553 -4.803 1.00 0.00 N ATOM 0 H ARG A 69 -13.944 -1.952 -1.467 1.00 0.00 H new ATOM 0 HA ARG A 69 -15.890 -3.923 -2.248 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -14.183 -4.541 -3.674 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -13.338 -3.124 -3.080 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -12.244 -4.543 -1.289 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -13.067 -5.956 -1.918 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -10.734 -5.742 -2.831 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -11.940 -5.711 -4.101 1.00 0.00 H new ATOM 0 HE ARG A 69 -11.562 -2.975 -3.374 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -9.759 -5.736 -4.490 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -8.575 -4.783 -5.390 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -10.095 -1.718 -4.500 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -8.769 -2.466 -5.396 1.00 0.00 H new ATOM 1117 N TYR A 70 -14.306 -4.454 0.489 1.00 0.00 N ATOM 1118 CA TYR A 70 -14.221 -5.367 1.644 1.00 0.00 C ATOM 1119 C TYR A 70 -15.594 -5.535 2.272 1.00 0.00 C ATOM 1120 O TYR A 70 -16.032 -6.640 2.517 1.00 0.00 O ATOM 1121 CB TYR A 70 -13.255 -4.745 2.670 1.00 0.00 C ATOM 1122 CG TYR A 70 -13.300 -5.528 3.986 1.00 0.00 C ATOM 1123 CD1 TYR A 70 -14.320 -5.317 4.891 1.00 0.00 C ATOM 1124 CD2 TYR A 70 -12.300 -6.425 4.305 1.00 0.00 C ATOM 1125 CE1 TYR A 70 -14.338 -5.986 6.092 1.00 0.00 C ATOM 1126 CE2 TYR A 70 -12.317 -7.094 5.512 1.00 0.00 C ATOM 1127 CZ TYR A 70 -13.338 -6.879 6.414 1.00 0.00 C ATOM 1128 OH TYR A 70 -13.359 -7.547 7.621 1.00 0.00 O ATOM 0 H TYR A 70 -13.875 -3.539 0.623 1.00 0.00 H new ATOM 0 HA TYR A 70 -13.862 -6.346 1.326 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -12.240 -4.748 2.272 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -13.525 -3.704 2.849 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -15.111 -4.621 4.654 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -11.498 -6.605 3.604 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -15.143 -5.810 6.790 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -11.526 -7.790 5.752 1.00 0.00 H new ATOM 0 HH TYR A 70 -14.233 -7.972 7.745 1.00 0.00 H new ATOM 1138 N GLU A 71 -16.255 -4.432 2.518 1.00 0.00 N ATOM 1139 CA GLU A 71 -17.596 -4.510 3.126 1.00 0.00 C ATOM 1140 C GLU A 71 -18.548 -5.240 2.194 1.00 0.00 C ATOM 1141 O GLU A 71 -19.464 -5.910 2.625 1.00 0.00 O ATOM 1142 CB GLU A 71 -18.109 -3.081 3.330 1.00 0.00 C ATOM 1143 CG GLU A 71 -17.190 -2.360 4.314 1.00 0.00 C ATOM 1144 CD GLU A 71 -17.496 -2.836 5.736 1.00 0.00 C ATOM 1145 OE1 GLU A 71 -18.621 -2.612 6.152 1.00 0.00 O ATOM 1146 OE2 GLU A 71 -16.588 -3.398 6.327 1.00 0.00 O ATOM 0 H GLU A 71 -15.917 -3.490 2.321 1.00 0.00 H new ATOM 0 HA GLU A 71 -17.541 -5.046 4.073 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -18.133 -2.550 2.378 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -19.130 -3.098 3.711 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -16.147 -2.560 4.068 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -17.334 -1.282 4.240 1.00 0.00 H new ATOM 1153 N ARG A 72 -18.306 -5.083 0.927 1.00 0.00 N ATOM 1154 CA ARG A 72 -19.170 -5.746 -0.079 1.00 0.00 C ATOM 1155 C ARG A 72 -19.168 -7.260 0.098 1.00 0.00 C ATOM 1156 O ARG A 72 -20.209 -7.885 0.138 1.00 0.00 O ATOM 1157 CB ARG A 72 -18.620 -5.401 -1.486 1.00 0.00 C ATOM 1158 CG ARG A 72 -19.737 -5.573 -2.544 1.00 0.00 C ATOM 1159 CD ARG A 72 -20.554 -4.275 -2.651 1.00 0.00 C ATOM 1160 NE ARG A 72 -19.741 -3.250 -3.367 1.00 0.00 N ATOM 1161 CZ ARG A 72 -20.127 -2.002 -3.357 1.00 0.00 C ATOM 1162 NH1 ARG A 72 -21.222 -1.685 -2.718 1.00 0.00 N ATOM 1163 NH2 ARG A 72 -19.410 -1.113 -3.989 1.00 0.00 N ATOM 0 H ARG A 72 -17.545 -4.522 0.544 1.00 0.00 H new ATOM 0 HA ARG A 72 -20.194 -5.393 0.045 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -18.248 -4.376 -1.500 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -17.777 -6.049 -1.726 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -19.300 -5.820 -3.512 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -20.388 -6.402 -2.268 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -21.485 -4.459 -3.187 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -20.823 -3.916 -1.658 1.00 0.00 H new ATOM 0 HE ARG A 72 -18.891 -3.521 -3.860 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -21.760 -2.407 -2.238 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -21.539 -0.716 -2.699 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -18.563 -1.397 -4.481 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -19.697 -0.134 -3.991 1.00 0.00 H new ATOM 1177 N GLU A 73 -17.998 -7.814 0.204 1.00 0.00 N ATOM 1178 CA GLU A 73 -17.888 -9.292 0.380 1.00 0.00 C ATOM 1179 C GLU A 73 -18.149 -9.707 1.830 1.00 0.00 C ATOM 1180 O GLU A 73 -18.182 -10.879 2.144 1.00 0.00 O ATOM 1181 CB GLU A 73 -16.459 -9.711 -0.003 1.00 0.00 C ATOM 1182 CG GLU A 73 -16.308 -9.641 -1.524 1.00 0.00 C ATOM 1183 CD GLU A 73 -14.847 -9.898 -1.901 1.00 0.00 C ATOM 1184 OE1 GLU A 73 -14.351 -10.929 -1.476 1.00 0.00 O ATOM 1185 OE2 GLU A 73 -14.310 -9.050 -2.593 1.00 0.00 O ATOM 0 H GLU A 73 -17.111 -7.312 0.177 1.00 0.00 H new ATOM 0 HA GLU A 73 -18.633 -9.777 -0.251 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -15.733 -9.055 0.478 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -16.257 -10.723 0.349 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -16.953 -10.380 -1.999 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -16.622 -8.663 -1.887 1.00 0.00 H new ATOM 1192 N MET A 74 -18.324 -8.737 2.686 1.00 0.00 N ATOM 1193 CA MET A 74 -18.581 -9.042 4.111 1.00 0.00 C ATOM 1194 C MET A 74 -20.023 -9.469 4.338 1.00 0.00 C ATOM 1195 O MET A 74 -20.310 -10.267 5.209 1.00 0.00 O ATOM 1196 CB MET A 74 -18.300 -7.752 4.909 1.00 0.00 C ATOM 1197 CG MET A 74 -18.028 -8.082 6.387 1.00 0.00 C ATOM 1198 SD MET A 74 -16.291 -8.337 6.865 1.00 0.00 S ATOM 1199 CE MET A 74 -16.405 -10.084 7.318 1.00 0.00 C ATOM 0 H MET A 74 -18.299 -7.744 2.453 1.00 0.00 H new ATOM 0 HA MET A 74 -17.941 -9.864 4.431 1.00 0.00 H new ATOM 0 HB2 MET A 74 -17.442 -7.233 4.482 1.00 0.00 H new ATOM 0 HB3 MET A 74 -19.152 -7.077 4.832 1.00 0.00 H new ATOM 0 HG2 MET A 74 -18.432 -7.273 6.996 1.00 0.00 H new ATOM 0 HG3 MET A 74 -18.586 -8.983 6.642 1.00 0.00 H new ATOM 0 HE1 MET A 74 -15.424 -10.444 7.628 1.00 0.00 H new ATOM 0 HE2 MET A 74 -17.111 -10.201 8.140 1.00 0.00 H new ATOM 0 HE3 MET A 74 -16.748 -10.661 6.459 1.00 0.00 H new ATOM 1209 N LYS A 75 -20.898 -8.934 3.553 1.00 0.00 N ATOM 1210 CA LYS A 75 -22.325 -9.284 3.698 1.00 0.00 C ATOM 1211 C LYS A 75 -22.573 -10.753 3.376 1.00 0.00 C ATOM 1212 O LYS A 75 -23.670 -11.247 3.563 1.00 0.00 O ATOM 1213 CB LYS A 75 -23.131 -8.426 2.714 1.00 0.00 C ATOM 1214 CG LYS A 75 -22.954 -6.949 3.079 1.00 0.00 C ATOM 1215 CD LYS A 75 -23.991 -6.107 2.324 1.00 0.00 C ATOM 1216 CE LYS A 75 -23.825 -6.322 0.814 1.00 0.00 C ATOM 1217 NZ LYS A 75 -24.448 -5.197 0.060 1.00 0.00 N ATOM 0 H LYS A 75 -20.686 -8.265 2.812 1.00 0.00 H new ATOM 0 HA LYS A 75 -22.627 -9.102 4.729 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -22.792 -8.605 1.694 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -24.185 -8.699 2.752 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -23.072 -6.812 4.154 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -21.947 -6.619 2.825 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -24.998 -6.388 2.633 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -23.865 -5.052 2.568 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -22.766 -6.394 0.564 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -24.287 -7.265 0.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -24.328 -5.355 -0.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -25.462 -5.147 0.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -23.989 -4.303 0.328 1.00 0.00 H new ATOM 1231 N THR A 76 -21.532 -11.427 2.905 1.00 0.00 N ATOM 1232 CA THR A 76 -21.659 -12.885 2.547 1.00 0.00 C ATOM 1233 C THR A 76 -21.111 -13.798 3.633 1.00 0.00 C ATOM 1234 O THR A 76 -21.634 -14.871 3.855 1.00 0.00 O ATOM 1235 CB THR A 76 -20.859 -13.122 1.266 1.00 0.00 C ATOM 1236 OG1 THR A 76 -19.504 -13.173 1.667 1.00 0.00 O ATOM 1237 CG2 THR A 76 -20.943 -11.902 0.339 1.00 0.00 C ATOM 0 H THR A 76 -20.606 -11.027 2.755 1.00 0.00 H new ATOM 0 HA THR A 76 -22.717 -13.117 2.423 1.00 0.00 H new ATOM 0 HB THR A 76 -21.230 -14.014 0.761 1.00 0.00 H new ATOM 0 HG1 THR A 76 -19.227 -12.293 1.997 1.00 0.00 H new ATOM 0 HG21 THR A 76 -20.367 -12.093 -0.566 1.00 0.00 H new ATOM 0 HG22 THR A 76 -21.984 -11.717 0.074 1.00 0.00 H new ATOM 0 HG23 THR A 76 -20.538 -11.028 0.850 1.00 0.00 H new ATOM 1245 N TYR A 77 -20.069 -13.373 4.290 1.00 0.00 N ATOM 1246 CA TYR A 77 -19.501 -14.222 5.354 1.00 0.00 C ATOM 1247 C TYR A 77 -20.435 -14.218 6.560 1.00 0.00 C ATOM 1248 O TYR A 77 -21.457 -14.851 6.535 1.00 0.00 O ATOM 1249 CB TYR A 77 -18.128 -13.635 5.740 1.00 0.00 C ATOM 1250 CG TYR A 77 -17.582 -14.325 7.000 1.00 0.00 C ATOM 1251 CD1 TYR A 77 -17.490 -15.705 7.074 1.00 0.00 C ATOM 1252 CD2 TYR A 77 -17.148 -13.571 8.071 1.00 0.00 C ATOM 1253 CE1 TYR A 77 -16.974 -16.311 8.201 1.00 0.00 C ATOM 1254 CE2 TYR A 77 -16.634 -14.178 9.193 1.00 0.00 C ATOM 1255 CZ TYR A 77 -16.542 -15.553 9.268 1.00 0.00 C ATOM 1256 OH TYR A 77 -16.024 -16.158 10.394 1.00 0.00 O ATOM 0 H TYR A 77 -19.595 -12.483 4.134 1.00 0.00 H new ATOM 0 HA TYR A 77 -19.386 -15.250 5.011 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -17.427 -13.763 4.915 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -18.221 -12.563 5.916 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -17.824 -16.310 6.244 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -17.213 -12.494 8.028 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -16.908 -17.388 8.247 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -16.299 -13.573 10.023 1.00 0.00 H new ATOM 0 HH TYR A 77 -15.232 -16.681 10.149 1.00 0.00 H new ATOM 1266 N ILE A 78 -20.052 -13.486 7.574 1.00 0.00 N ATOM 1267 CA ILE A 78 -20.891 -13.388 8.840 1.00 0.00 C ATOM 1268 C ILE A 78 -21.438 -14.775 9.353 1.00 0.00 C ATOM 1269 O ILE A 78 -22.451 -15.253 8.877 1.00 0.00 O ATOM 1270 CB ILE A 78 -22.101 -12.512 8.505 1.00 0.00 C ATOM 1271 CG1 ILE A 78 -21.632 -11.103 8.055 1.00 0.00 C ATOM 1272 CG2 ILE A 78 -22.978 -12.371 9.779 1.00 0.00 C ATOM 1273 CD1 ILE A 78 -22.677 -10.494 7.111 1.00 0.00 C ATOM 0 H ILE A 78 -19.189 -12.942 7.594 1.00 0.00 H new ATOM 0 HA ILE A 78 -20.255 -12.984 9.628 1.00 0.00 H new ATOM 0 HB ILE A 78 -22.670 -12.972 7.697 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -21.492 -10.460 8.924 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -20.668 -11.172 7.551 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -23.845 -11.749 9.557 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -23.312 -13.357 10.102 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -22.393 -11.908 10.574 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -22.348 -9.504 6.794 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -22.794 -11.134 6.237 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -23.632 -10.410 7.630 1.00 0.00 H new ATOM 1285 N PRO A 79 -20.796 -15.377 10.367 1.00 0.00 N ATOM 1286 CA PRO A 79 -21.264 -16.667 10.876 1.00 0.00 C ATOM 1287 C PRO A 79 -22.688 -16.529 11.468 1.00 0.00 C ATOM 1288 O PRO A 79 -23.178 -15.432 11.645 1.00 0.00 O ATOM 1289 CB PRO A 79 -20.234 -17.061 11.987 1.00 0.00 C ATOM 1290 CG PRO A 79 -19.157 -15.924 12.039 1.00 0.00 C ATOM 1291 CD PRO A 79 -19.623 -14.817 11.059 1.00 0.00 C ATOM 0 HA PRO A 79 -21.325 -17.423 10.093 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -20.730 -17.167 12.952 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -19.770 -18.021 11.760 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -19.061 -15.529 13.050 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -18.178 -16.307 11.752 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -19.881 -13.903 11.593 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -18.834 -14.561 10.351 1.00 0.00 H new ATOM 1299 N PRO A 80 -23.327 -17.659 11.760 1.00 0.00 N ATOM 1300 CA PRO A 80 -24.671 -17.638 12.322 1.00 0.00 C ATOM 1301 C PRO A 80 -24.660 -17.026 13.719 1.00 0.00 C ATOM 1302 O PRO A 80 -23.709 -16.376 14.109 1.00 0.00 O ATOM 1303 CB PRO A 80 -25.101 -19.140 12.391 1.00 0.00 C ATOM 1304 CG PRO A 80 -23.828 -19.984 12.080 1.00 0.00 C ATOM 1305 CD PRO A 80 -22.754 -19.001 11.555 1.00 0.00 C ATOM 0 HA PRO A 80 -25.355 -17.038 11.722 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -25.496 -19.385 13.377 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -25.891 -19.350 11.670 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -23.477 -20.497 12.975 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -24.045 -20.751 11.337 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -21.816 -19.116 12.098 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -22.537 -19.180 10.502 1.00 0.00 H new ATOM 1313 N LYS A 81 -25.720 -17.273 14.439 1.00 0.00 N ATOM 1314 CA LYS A 81 -25.840 -16.731 15.822 1.00 0.00 C ATOM 1315 C LYS A 81 -25.474 -15.264 15.865 1.00 0.00 C ATOM 1316 O LYS A 81 -25.100 -14.734 16.893 1.00 0.00 O ATOM 1317 CB LYS A 81 -24.895 -17.520 16.745 1.00 0.00 C ATOM 1318 CG LYS A 81 -25.319 -18.990 16.749 1.00 0.00 C ATOM 1319 CD LYS A 81 -24.470 -19.756 17.764 1.00 0.00 C ATOM 1320 CE LYS A 81 -25.048 -21.163 17.940 1.00 0.00 C ATOM 1321 NZ LYS A 81 -24.893 -21.951 16.684 1.00 0.00 N ATOM 0 H LYS A 81 -26.514 -17.831 14.126 1.00 0.00 H new ATOM 0 HA LYS A 81 -26.873 -16.834 16.153 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -23.865 -17.426 16.400 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -24.931 -17.115 17.756 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -26.376 -19.075 17.003 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -25.194 -19.419 15.755 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -23.437 -19.814 17.422 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -24.461 -19.231 18.719 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -24.541 -21.671 18.760 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -26.102 -21.099 18.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -25.164 -22.940 16.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -25.505 -21.550 15.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -23.902 -21.914 16.371 1.00 0.00 H new ATOM 1335 N GLY A 82 -25.595 -14.639 14.743 1.00 0.00 N ATOM 1336 CA GLY A 82 -25.262 -13.188 14.666 1.00 0.00 C ATOM 1337 C GLY A 82 -26.197 -12.376 15.565 1.00 0.00 C ATOM 1338 O GLY A 82 -25.777 -11.435 16.210 1.00 0.00 O ATOM 0 H GLY A 82 -25.910 -15.062 13.870 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -24.227 -13.030 14.970 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -25.348 -12.843 13.636 1.00 0.00 H new ATOM 1342 N GLU A 83 -27.445 -12.758 15.590 1.00 0.00 N ATOM 1343 CA GLU A 83 -28.415 -12.025 16.438 1.00 0.00 C ATOM 1344 C GLU A 83 -29.689 -12.842 16.635 1.00 0.00 C ATOM 1345 O GLU A 83 -30.204 -13.291 15.625 1.00 0.00 O ATOM 1346 CB GLU A 83 -28.777 -10.707 15.732 1.00 0.00 C ATOM 1347 CG GLU A 83 -29.727 -9.904 16.624 1.00 0.00 C ATOM 1348 CD GLU A 83 -29.905 -8.502 16.038 1.00 0.00 C ATOM 1349 OE1 GLU A 83 -30.271 -8.443 14.876 1.00 0.00 O ATOM 1350 OE2 GLU A 83 -29.664 -7.568 16.786 1.00 0.00 O ATOM 1351 OXT GLU A 83 -30.076 -12.970 17.785 1.00 0.00 O ATOM 0 H GLU A 83 -27.829 -13.542 15.062 1.00 0.00 H new ATOM 0 HA GLU A 83 -27.966 -11.838 17.413 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -27.875 -10.130 15.528 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -29.248 -10.913 14.771 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -30.692 -10.407 16.694 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -29.327 -9.840 17.636 1.00 0.00 H new TER 1358 GLU A 83