USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=34 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 45 SER OG : rot 170:sc= 0.915 USER MOD Set 1.2: A 49 LYS NZ :NH3+ -150:sc= 0.645 (180deg=-0.644) USER MOD Set 2.1: A 26 HIS : no HE2:sc= -13.9! C(o=-19!,f=-21!) USER MOD Set 2.2: A 29 LYS NZ :NH3+ -130:sc= -0.435 (180deg=-0.558) USER MOD Set 2.3: A 30 HIS :FLIP no HD1:sc= -4.16! C(o=-19!,f=-19!) USER MOD Set 3.1: A 22 SER OG : rot -30:sc= 0.47 USER MOD Set 3.2: A 44 CYS SG : rot 113:sc= -4.07! USER MOD Set 4.1: A 15 TYR OH : rot -152:sc= -0.559 USER MOD Set 4.2: A 41 SER OG : rot 180:sc= 0.999 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 162:sc= -0.0415 (180deg=-0.598) USER MOD Single : A 7 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.166) USER MOD Single : A 11 LYS NZ :NH3+ 176:sc= 0.532 (180deg=0.496) USER MOD Single : A 12 MET CE :methyl 164:sc= -2.06 (180deg=-3.19) USER MOD Single : A 13 SER OG : rot 180:sc= 0.268 USER MOD Single : A 14 SER OG : rot 180:sc= -0.356 USER MOD Single : A 20 GLN : amide:sc= -1.94! C(o=-1.9!,f=-3.9!) USER MOD Single : A 21 THR OG1 : rot 84:sc= 1.21 USER MOD Single : A 27 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.111) USER MOD Single : A 28 LYS NZ :NH3+ 136:sc= -2.38! (180deg=-4.88!) USER MOD Single : A 34 SER OG : rot 180:sc= -0.0299 USER MOD Single : A 36 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 38 SER OG : rot 80:sc= 1.06 USER MOD Single : A 42 LYS NZ :NH3+ -130:sc= -1.19 (180deg=-3.37!) USER MOD Single : A 43 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 -169:sc= -0.371 (180deg=-0.904) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -132:sc= -1.77 (180deg=-3.79!) USER MOD Single : A 56 LYS NZ :NH3+ -138:sc= 0.821 (180deg=-2.07!) USER MOD Single : A 58 LYS NZ :NH3+ 132:sc= 0.216 (180deg=-1.53!) USER MOD Single : A 62 MET CE :methyl -170:sc= -0.692 (180deg=-0.928) USER MOD Single : A 64 LYS NZ :NH3+ -116:sc= -1.04 (180deg=-3.2!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -149:sc= -0.292 (180deg=-1.08) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -12:sc= 1.06 USER MOD Single : A 77 TYR OH : rot 70:sc= -0.0136 USER MOD Single : A 81 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.141) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.994 -26.390 11.879 1.00 0.00 N ATOM 2 CA GLY A 1 -7.425 -26.159 10.521 1.00 0.00 C ATOM 3 C GLY A 1 -7.490 -24.670 10.176 1.00 0.00 C ATOM 4 O GLY A 1 -8.261 -24.258 9.331 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.947 -27.404 12.107 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.447 -25.851 12.581 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.985 -26.077 11.898 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.392 -26.504 10.486 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.979 -26.737 9.782 1.00 0.00 H new ATOM 10 N LYS A 2 -6.679 -23.891 10.839 1.00 0.00 N ATOM 11 CA LYS A 2 -6.682 -22.432 10.562 1.00 0.00 C ATOM 12 C LYS A 2 -6.336 -22.159 9.106 1.00 0.00 C ATOM 13 O LYS A 2 -5.264 -22.499 8.647 1.00 0.00 O ATOM 14 CB LYS A 2 -5.621 -21.766 11.449 1.00 0.00 C ATOM 15 CG LYS A 2 -5.842 -22.189 12.900 1.00 0.00 C ATOM 16 CD LYS A 2 -4.788 -21.516 13.781 1.00 0.00 C ATOM 17 CE LYS A 2 -4.802 -22.164 15.167 1.00 0.00 C ATOM 18 NZ LYS A 2 -3.698 -21.620 16.007 1.00 0.00 N ATOM 0 H LYS A 2 -6.021 -24.201 11.554 1.00 0.00 H new ATOM 0 HA LYS A 2 -7.675 -22.034 10.770 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -4.622 -22.055 11.121 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -5.684 -20.681 11.360 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -6.842 -21.905 13.227 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -5.772 -23.273 12.991 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -3.801 -21.617 13.329 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -4.993 -20.449 13.863 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -5.761 -21.980 15.652 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -4.696 -23.245 15.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -3.721 -22.070 16.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -2.785 -21.818 15.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -3.817 -20.592 16.113 1.00 0.00 H new ATOM 32 N GLY A 3 -7.247 -21.547 8.402 1.00 0.00 N ATOM 33 CA GLY A 3 -6.979 -21.244 6.968 1.00 0.00 C ATOM 34 C GLY A 3 -8.280 -20.908 6.236 1.00 0.00 C ATOM 35 O GLY A 3 -9.242 -21.648 6.308 1.00 0.00 O ATOM 0 H GLY A 3 -8.156 -21.246 8.752 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -6.286 -20.407 6.891 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -6.499 -22.100 6.493 1.00 0.00 H new ATOM 39 N ASP A 4 -8.274 -19.784 5.551 1.00 0.00 N ATOM 40 CA ASP A 4 -9.482 -19.349 4.797 1.00 0.00 C ATOM 41 C ASP A 4 -9.058 -18.568 3.568 1.00 0.00 C ATOM 42 O ASP A 4 -9.218 -17.368 3.509 1.00 0.00 O ATOM 43 CB ASP A 4 -10.318 -18.432 5.702 1.00 0.00 C ATOM 44 CG ASP A 4 -10.955 -19.265 6.816 1.00 0.00 C ATOM 45 OD1 ASP A 4 -10.224 -19.582 7.740 1.00 0.00 O ATOM 46 OD2 ASP A 4 -12.137 -19.535 6.679 1.00 0.00 O ATOM 0 H ASP A 4 -7.476 -19.151 5.486 1.00 0.00 H new ATOM 0 HA ASP A 4 -10.063 -20.220 4.494 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -9.688 -17.652 6.130 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -11.091 -17.933 5.118 1.00 0.00 H new ATOM 51 N PRO A 5 -8.501 -19.277 2.593 1.00 0.00 N ATOM 52 CA PRO A 5 -8.057 -18.636 1.374 1.00 0.00 C ATOM 53 C PRO A 5 -9.230 -18.035 0.610 1.00 0.00 C ATOM 54 O PRO A 5 -10.324 -17.920 1.128 1.00 0.00 O ATOM 55 CB PRO A 5 -7.366 -19.769 0.542 1.00 0.00 C ATOM 56 CG PRO A 5 -7.478 -21.089 1.379 1.00 0.00 C ATOM 57 CD PRO A 5 -8.276 -20.745 2.660 1.00 0.00 C ATOM 0 HA PRO A 5 -7.376 -17.809 1.578 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -7.851 -19.885 -0.427 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -6.322 -19.523 0.349 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -7.983 -21.867 0.807 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -6.489 -21.471 1.632 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -9.221 -21.288 2.694 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -7.719 -21.018 3.557 1.00 0.00 H new ATOM 65 N LYS A 6 -8.955 -17.663 -0.606 1.00 0.00 N ATOM 66 CA LYS A 6 -10.001 -17.055 -1.478 1.00 0.00 C ATOM 67 C LYS A 6 -10.627 -15.825 -0.804 1.00 0.00 C ATOM 68 O LYS A 6 -11.504 -15.196 -1.358 1.00 0.00 O ATOM 69 CB LYS A 6 -11.107 -18.122 -1.786 1.00 0.00 C ATOM 70 CG LYS A 6 -10.754 -18.875 -3.078 1.00 0.00 C ATOM 71 CD LYS A 6 -9.484 -19.693 -2.851 1.00 0.00 C ATOM 72 CE LYS A 6 -9.265 -20.625 -4.044 1.00 0.00 C ATOM 73 NZ LYS A 6 -9.555 -19.914 -5.321 1.00 0.00 N ATOM 0 H LYS A 6 -8.037 -17.755 -1.041 1.00 0.00 H new ATOM 0 HA LYS A 6 -9.537 -16.731 -2.410 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -11.190 -18.824 -0.956 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -12.077 -17.635 -1.891 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -11.576 -19.530 -3.368 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.605 -18.169 -3.895 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.627 -19.030 -2.730 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -9.570 -20.273 -1.932 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -8.236 -20.986 -4.047 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -9.909 -21.499 -3.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -9.123 -20.432 -6.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -10.584 -19.860 -5.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -9.161 -18.953 -5.280 1.00 0.00 H new ATOM 87 N LYS A 7 -10.144 -15.499 0.369 1.00 0.00 N ATOM 88 CA LYS A 7 -10.687 -14.330 1.088 1.00 0.00 C ATOM 89 C LYS A 7 -10.293 -13.035 0.337 1.00 0.00 C ATOM 90 O LYS A 7 -9.396 -13.053 -0.483 1.00 0.00 O ATOM 91 CB LYS A 7 -10.061 -14.340 2.528 1.00 0.00 C ATOM 92 CG LYS A 7 -11.076 -14.899 3.544 1.00 0.00 C ATOM 93 CD LYS A 7 -10.497 -14.767 4.957 1.00 0.00 C ATOM 94 CE LYS A 7 -11.595 -15.069 5.982 1.00 0.00 C ATOM 95 NZ LYS A 7 -11.000 -15.310 7.328 1.00 0.00 N ATOM 0 H LYS A 7 -9.397 -15.998 0.851 1.00 0.00 H new ATOM 0 HA LYS A 7 -11.775 -14.371 1.147 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.156 -14.947 2.535 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -9.769 -13.329 2.813 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -12.018 -14.356 3.472 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -11.293 -15.944 3.323 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -9.662 -15.456 5.087 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -10.107 -13.761 5.110 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -12.295 -14.235 6.031 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -12.164 -15.944 5.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -11.665 -15.861 7.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -10.110 -15.839 7.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -10.809 -14.399 7.791 1.00 0.00 H new ATOM 109 N PRO A 8 -10.992 -11.930 0.616 1.00 0.00 N ATOM 110 CA PRO A 8 -10.688 -10.654 -0.049 1.00 0.00 C ATOM 111 C PRO A 8 -9.238 -10.198 0.233 1.00 0.00 C ATOM 112 O PRO A 8 -8.455 -10.923 0.816 1.00 0.00 O ATOM 113 CB PRO A 8 -11.714 -9.636 0.542 1.00 0.00 C ATOM 114 CG PRO A 8 -12.530 -10.392 1.648 1.00 0.00 C ATOM 115 CD PRO A 8 -12.119 -11.887 1.575 1.00 0.00 C ATOM 0 HA PRO A 8 -10.767 -10.739 -1.133 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -11.200 -8.773 0.965 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -12.377 -9.261 -0.238 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -12.315 -9.981 2.634 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -13.601 -10.278 1.482 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.819 -12.262 2.554 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -12.949 -12.508 1.237 1.00 0.00 H new ATOM 123 N ARG A 9 -8.924 -8.994 -0.171 1.00 0.00 N ATOM 124 CA ARG A 9 -7.544 -8.479 0.057 1.00 0.00 C ATOM 125 C ARG A 9 -7.239 -8.305 1.536 1.00 0.00 C ATOM 126 O ARG A 9 -6.202 -7.791 1.902 1.00 0.00 O ATOM 127 CB ARG A 9 -7.405 -7.114 -0.677 1.00 0.00 C ATOM 128 CG ARG A 9 -5.959 -6.930 -1.176 1.00 0.00 C ATOM 129 CD ARG A 9 -5.887 -5.693 -2.076 1.00 0.00 C ATOM 130 NE ARG A 9 -6.886 -5.829 -3.177 1.00 0.00 N ATOM 131 CZ ARG A 9 -6.839 -5.008 -4.191 1.00 0.00 C ATOM 132 NH1 ARG A 9 -5.914 -4.087 -4.216 1.00 0.00 N ATOM 133 NH2 ARG A 9 -7.724 -5.131 -5.141 1.00 0.00 N ATOM 0 H ARG A 9 -9.559 -8.351 -0.645 1.00 0.00 H new ATOM 0 HA ARG A 9 -6.830 -9.204 -0.334 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.097 -7.072 -1.518 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -7.672 -6.300 -0.003 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -5.282 -6.818 -0.329 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -5.637 -7.814 -1.727 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -6.089 -4.793 -1.495 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -4.884 -5.587 -2.490 1.00 0.00 H new ATOM 0 HE ARG A 9 -7.599 -6.557 -3.137 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -5.243 -4.017 -3.451 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -5.862 -3.437 -5.000 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -8.436 -5.859 -5.083 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -7.704 -4.499 -5.942 1.00 0.00 H new ATOM 147 N GLY A 10 -8.137 -8.736 2.354 1.00 0.00 N ATOM 148 CA GLY A 10 -7.903 -8.603 3.808 1.00 0.00 C ATOM 149 C GLY A 10 -7.973 -7.137 4.266 1.00 0.00 C ATOM 150 O GLY A 10 -7.480 -6.799 5.322 1.00 0.00 O ATOM 0 H GLY A 10 -9.019 -9.173 2.086 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.645 -9.189 4.351 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.926 -9.016 4.058 1.00 0.00 H new ATOM 154 N LYS A 11 -8.586 -6.300 3.464 1.00 0.00 N ATOM 155 CA LYS A 11 -8.699 -4.859 3.831 1.00 0.00 C ATOM 156 C LYS A 11 -7.333 -4.254 4.214 1.00 0.00 C ATOM 157 O LYS A 11 -6.984 -4.167 5.378 1.00 0.00 O ATOM 158 CB LYS A 11 -9.677 -4.739 5.016 1.00 0.00 C ATOM 159 CG LYS A 11 -10.088 -3.283 5.156 1.00 0.00 C ATOM 160 CD LYS A 11 -10.853 -3.096 6.469 1.00 0.00 C ATOM 161 CE LYS A 11 -12.164 -3.898 6.424 1.00 0.00 C ATOM 162 NZ LYS A 11 -13.138 -3.366 7.419 1.00 0.00 N ATOM 0 H LYS A 11 -9.012 -6.555 2.573 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.065 -4.303 2.968 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -10.553 -5.366 4.849 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.205 -5.089 5.934 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.207 -2.642 5.141 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.712 -2.987 4.313 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.241 -3.428 7.308 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -11.067 -2.039 6.629 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.594 -3.847 5.423 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.961 -4.949 6.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -14.040 -3.875 7.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.761 -3.499 8.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -13.293 -2.352 7.245 1.00 0.00 H new ATOM 176 N MET A 12 -6.603 -3.822 3.211 1.00 0.00 N ATOM 177 CA MET A 12 -5.255 -3.215 3.459 1.00 0.00 C ATOM 178 C MET A 12 -5.340 -1.706 3.706 1.00 0.00 C ATOM 179 O MET A 12 -6.353 -1.083 3.446 1.00 0.00 O ATOM 180 CB MET A 12 -4.407 -3.442 2.189 1.00 0.00 C ATOM 181 CG MET A 12 -3.762 -4.827 2.239 1.00 0.00 C ATOM 182 SD MET A 12 -3.027 -5.439 0.711 1.00 0.00 S ATOM 183 CE MET A 12 -2.398 -3.847 0.127 1.00 0.00 C ATOM 0 H MET A 12 -6.883 -3.864 2.231 1.00 0.00 H new ATOM 0 HA MET A 12 -4.821 -3.679 4.344 1.00 0.00 H new ATOM 0 HB2 MET A 12 -5.034 -3.354 1.301 1.00 0.00 H new ATOM 0 HB3 MET A 12 -3.637 -2.674 2.113 1.00 0.00 H new ATOM 0 HG2 MET A 12 -2.988 -4.813 3.006 1.00 0.00 H new ATOM 0 HG3 MET A 12 -4.518 -5.542 2.562 1.00 0.00 H new ATOM 0 HE1 MET A 12 -1.662 -4.013 -0.660 1.00 0.00 H new ATOM 0 HE2 MET A 12 -3.222 -3.252 -0.266 1.00 0.00 H new ATOM 0 HE3 MET A 12 -1.930 -3.315 0.955 1.00 0.00 H new ATOM 193 N SER A 13 -4.239 -1.158 4.198 1.00 0.00 N ATOM 194 CA SER A 13 -4.170 0.305 4.488 1.00 0.00 C ATOM 195 C SER A 13 -3.555 1.035 3.297 1.00 0.00 C ATOM 196 O SER A 13 -3.257 0.427 2.295 1.00 0.00 O ATOM 197 CB SER A 13 -3.263 0.508 5.710 1.00 0.00 C ATOM 198 OG SER A 13 -2.029 -0.082 5.329 1.00 0.00 O ATOM 0 H SER A 13 -3.385 -1.675 4.409 1.00 0.00 H new ATOM 0 HA SER A 13 -5.170 0.695 4.677 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.143 1.565 5.946 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.677 0.029 6.597 1.00 0.00 H new ATOM 0 HG SER A 13 -1.384 0.007 6.062 1.00 0.00 H new ATOM 204 N SER A 14 -3.357 2.317 3.432 1.00 0.00 N ATOM 205 CA SER A 14 -2.766 3.086 2.314 1.00 0.00 C ATOM 206 C SER A 14 -1.302 2.744 2.132 1.00 0.00 C ATOM 207 O SER A 14 -0.819 2.649 1.021 1.00 0.00 O ATOM 208 CB SER A 14 -2.888 4.570 2.662 1.00 0.00 C ATOM 209 OG SER A 14 -1.981 4.745 3.735 1.00 0.00 O ATOM 0 H SER A 14 -3.580 2.859 4.267 1.00 0.00 H new ATOM 0 HA SER A 14 -3.289 2.845 1.389 1.00 0.00 H new ATOM 0 HB2 SER A 14 -2.628 5.202 1.813 1.00 0.00 H new ATOM 0 HB3 SER A 14 -3.906 4.830 2.953 1.00 0.00 H new ATOM 0 HG SER A 14 -1.993 5.681 4.024 1.00 0.00 H new ATOM 215 N TYR A 15 -0.619 2.563 3.221 1.00 0.00 N ATOM 216 CA TYR A 15 0.814 2.227 3.118 1.00 0.00 C ATOM 217 C TYR A 15 0.956 0.815 2.613 1.00 0.00 C ATOM 218 O TYR A 15 1.712 0.553 1.709 1.00 0.00 O ATOM 219 CB TYR A 15 1.465 2.331 4.524 1.00 0.00 C ATOM 220 CG TYR A 15 2.831 1.608 4.520 1.00 0.00 C ATOM 221 CD1 TYR A 15 3.725 1.784 3.474 1.00 0.00 C ATOM 222 CD2 TYR A 15 3.163 0.738 5.533 1.00 0.00 C ATOM 223 CE1 TYR A 15 4.913 1.101 3.447 1.00 0.00 C ATOM 224 CE2 TYR A 15 4.357 0.054 5.501 1.00 0.00 C ATOM 225 CZ TYR A 15 5.236 0.229 4.456 1.00 0.00 C ATOM 226 OH TYR A 15 6.400 -0.486 4.402 1.00 0.00 O ATOM 0 H TYR A 15 -0.990 2.633 4.169 1.00 0.00 H new ATOM 0 HA TYR A 15 1.305 2.917 2.431 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.597 3.378 4.798 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.809 1.886 5.273 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.482 2.466 2.673 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.482 0.591 6.359 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.599 1.250 2.626 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.606 -0.626 6.302 1.00 0.00 H new ATOM 0 HH TYR A 15 6.291 -1.326 4.894 1.00 0.00 H new ATOM 236 N ALA A 16 0.240 -0.071 3.230 1.00 0.00 N ATOM 237 CA ALA A 16 0.316 -1.473 2.802 1.00 0.00 C ATOM 238 C ALA A 16 0.040 -1.584 1.313 1.00 0.00 C ATOM 239 O ALA A 16 0.528 -2.482 0.655 1.00 0.00 O ATOM 240 CB ALA A 16 -0.733 -2.277 3.566 1.00 0.00 C ATOM 0 H ALA A 16 -0.391 0.119 4.009 1.00 0.00 H new ATOM 0 HA ALA A 16 1.315 -1.859 3.007 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.687 -3.321 3.257 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.537 -2.206 4.636 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.724 -1.878 3.351 1.00 0.00 H new ATOM 246 N PHE A 17 -0.728 -0.654 0.795 1.00 0.00 N ATOM 247 CA PHE A 17 -1.030 -0.708 -0.653 1.00 0.00 C ATOM 248 C PHE A 17 0.216 -0.355 -1.436 1.00 0.00 C ATOM 249 O PHE A 17 0.436 -0.856 -2.520 1.00 0.00 O ATOM 250 CB PHE A 17 -2.177 0.316 -0.955 1.00 0.00 C ATOM 251 CG PHE A 17 -3.400 -0.405 -1.540 1.00 0.00 C ATOM 252 CD1 PHE A 17 -3.509 -0.588 -2.902 1.00 0.00 C ATOM 253 CD2 PHE A 17 -4.428 -0.845 -0.716 1.00 0.00 C ATOM 254 CE1 PHE A 17 -4.624 -1.190 -3.439 1.00 0.00 C ATOM 255 CE2 PHE A 17 -5.540 -1.448 -1.258 1.00 0.00 C ATOM 256 CZ PHE A 17 -5.638 -1.618 -2.618 1.00 0.00 C ATOM 0 H PHE A 17 -1.147 0.122 1.308 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.350 -1.709 -0.944 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.458 0.837 -0.040 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.823 1.072 -1.656 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.713 -0.256 -3.553 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.354 -0.713 0.353 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -4.702 -1.326 -4.508 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.337 -1.788 -0.613 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.513 -2.089 -3.041 1.00 0.00 H new ATOM 266 N PHE A 18 1.006 0.503 -0.873 1.00 0.00 N ATOM 267 CA PHE A 18 2.248 0.903 -1.563 1.00 0.00 C ATOM 268 C PHE A 18 3.280 -0.200 -1.399 1.00 0.00 C ATOM 269 O PHE A 18 4.239 -0.267 -2.144 1.00 0.00 O ATOM 270 CB PHE A 18 2.768 2.224 -0.935 1.00 0.00 C ATOM 271 CG PHE A 18 4.242 2.445 -1.293 1.00 0.00 C ATOM 272 CD1 PHE A 18 5.242 1.823 -0.564 1.00 0.00 C ATOM 273 CD2 PHE A 18 4.594 3.275 -2.343 1.00 0.00 C ATOM 274 CE1 PHE A 18 6.568 2.030 -0.879 1.00 0.00 C ATOM 275 CE2 PHE A 18 5.920 3.479 -2.654 1.00 0.00 C ATOM 276 CZ PHE A 18 6.904 2.857 -1.923 1.00 0.00 C ATOM 0 H PHE A 18 0.845 0.943 0.033 1.00 0.00 H new ATOM 0 HA PHE A 18 2.061 1.061 -2.625 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.171 3.063 -1.292 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.652 2.189 0.148 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.981 1.171 0.257 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.825 3.765 -2.921 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.342 1.542 -0.305 1.00 0.00 H new ATOM 0 HE2 PHE A 18 6.187 4.129 -3.474 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.943 3.019 -2.170 1.00 0.00 H new ATOM 286 N VAL A 19 3.063 -1.059 -0.407 1.00 0.00 N ATOM 287 CA VAL A 19 4.017 -2.164 -0.183 1.00 0.00 C ATOM 288 C VAL A 19 3.738 -3.267 -1.128 1.00 0.00 C ATOM 289 O VAL A 19 4.630 -3.768 -1.723 1.00 0.00 O ATOM 290 CB VAL A 19 3.899 -2.701 1.263 1.00 0.00 C ATOM 291 CG1 VAL A 19 4.796 -3.950 1.419 1.00 0.00 C ATOM 292 CG2 VAL A 19 4.388 -1.623 2.231 1.00 0.00 C ATOM 0 H VAL A 19 2.272 -1.025 0.236 1.00 0.00 H new ATOM 0 HA VAL A 19 5.025 -1.782 -0.343 1.00 0.00 H new ATOM 0 HB VAL A 19 2.862 -2.960 1.476 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.715 -4.331 2.437 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.474 -4.719 0.717 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.832 -3.682 1.213 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.310 -1.990 3.254 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.428 -1.381 2.011 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.776 -0.728 2.119 1.00 0.00 H new ATOM 302 N GLN A 20 2.496 -3.647 -1.250 1.00 0.00 N ATOM 303 CA GLN A 20 2.202 -4.742 -2.188 1.00 0.00 C ATOM 304 C GLN A 20 2.647 -4.307 -3.561 1.00 0.00 C ATOM 305 O GLN A 20 2.981 -5.112 -4.408 1.00 0.00 O ATOM 306 CB GLN A 20 0.671 -5.062 -2.164 1.00 0.00 C ATOM 307 CG GLN A 20 -0.106 -4.205 -3.209 1.00 0.00 C ATOM 308 CD GLN A 20 -0.041 -4.844 -4.613 1.00 0.00 C ATOM 309 OE1 GLN A 20 0.462 -5.932 -4.807 1.00 0.00 O ATOM 310 NE2 GLN A 20 -0.554 -4.188 -5.621 1.00 0.00 N ATOM 0 H GLN A 20 1.698 -3.253 -0.752 1.00 0.00 H new ATOM 0 HA GLN A 20 2.733 -5.651 -1.905 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.516 -6.121 -2.372 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.274 -4.871 -1.167 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -1.146 -4.105 -2.900 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.314 -3.200 -3.244 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -0.979 -3.273 -5.471 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.529 -4.591 -6.558 1.00 0.00 H new ATOM 319 N THR A 21 2.669 -3.011 -3.734 1.00 0.00 N ATOM 320 CA THR A 21 3.089 -2.458 -5.028 1.00 0.00 C ATOM 321 C THR A 21 4.594 -2.498 -5.117 1.00 0.00 C ATOM 322 O THR A 21 5.150 -2.616 -6.191 1.00 0.00 O ATOM 323 CB THR A 21 2.601 -1.009 -5.122 1.00 0.00 C ATOM 324 OG1 THR A 21 1.192 -1.092 -5.151 1.00 0.00 O ATOM 325 CG2 THR A 21 2.973 -0.398 -6.473 1.00 0.00 C ATOM 0 H THR A 21 2.412 -2.322 -3.027 1.00 0.00 H new ATOM 0 HA THR A 21 2.666 -3.042 -5.846 1.00 0.00 H new ATOM 0 HB THR A 21 3.023 -0.423 -4.306 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.849 -1.162 -4.235 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.617 0.631 -6.517 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.056 -0.412 -6.593 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.512 -0.977 -7.273 1.00 0.00 H new ATOM 333 N SER A 22 5.232 -2.406 -3.962 1.00 0.00 N ATOM 334 CA SER A 22 6.720 -2.438 -3.925 1.00 0.00 C ATOM 335 C SER A 22 7.189 -3.869 -3.733 1.00 0.00 C ATOM 336 O SER A 22 8.341 -4.165 -3.886 1.00 0.00 O ATOM 337 CB SER A 22 7.196 -1.599 -2.725 1.00 0.00 C ATOM 338 OG SER A 22 8.613 -1.630 -2.822 1.00 0.00 O ATOM 0 H SER A 22 4.778 -2.311 -3.054 1.00 0.00 H new ATOM 0 HA SER A 22 7.123 -2.040 -4.856 1.00 0.00 H new ATOM 0 HB2 SER A 22 6.815 -0.579 -2.775 1.00 0.00 H new ATOM 0 HB3 SER A 22 6.852 -2.022 -1.781 1.00 0.00 H new ATOM 0 HG SER A 22 8.894 -2.474 -3.232 1.00 0.00 H new ATOM 344 N ARG A 23 6.247 -4.723 -3.407 1.00 0.00 N ATOM 345 CA ARG A 23 6.551 -6.167 -3.183 1.00 0.00 C ATOM 346 C ARG A 23 6.681 -6.914 -4.488 1.00 0.00 C ATOM 347 O ARG A 23 7.704 -7.509 -4.765 1.00 0.00 O ATOM 348 CB ARG A 23 5.390 -6.755 -2.377 1.00 0.00 C ATOM 349 CG ARG A 23 5.712 -8.189 -1.959 1.00 0.00 C ATOM 350 CD ARG A 23 4.771 -8.590 -0.812 1.00 0.00 C ATOM 351 NE ARG A 23 4.926 -10.048 -0.536 1.00 0.00 N ATOM 352 CZ ARG A 23 4.400 -10.918 -1.354 1.00 0.00 C ATOM 353 NH1 ARG A 23 3.746 -10.489 -2.399 1.00 0.00 N ATOM 354 NH2 ARG A 23 4.541 -12.192 -1.097 1.00 0.00 N ATOM 0 H ARG A 23 5.266 -4.473 -3.286 1.00 0.00 H new ATOM 0 HA ARG A 23 7.499 -6.263 -2.654 1.00 0.00 H new ATOM 0 HB2 ARG A 23 5.204 -6.144 -1.494 1.00 0.00 H new ATOM 0 HB3 ARG A 23 4.478 -6.738 -2.974 1.00 0.00 H new ATOM 0 HG2 ARG A 23 5.588 -8.866 -2.804 1.00 0.00 H new ATOM 0 HG3 ARG A 23 6.751 -8.265 -1.640 1.00 0.00 H new ATOM 0 HD2 ARG A 23 5.002 -8.012 0.083 1.00 0.00 H new ATOM 0 HD3 ARG A 23 3.738 -8.366 -1.078 1.00 0.00 H new ATOM 0 HE ARG A 23 5.440 -10.363 0.287 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.652 -9.487 -2.566 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.329 -11.156 -3.048 1.00 0.00 H new ATOM 0 HH21 ARG A 23 5.055 -12.491 -0.268 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.137 -12.887 -1.725 1.00 0.00 H new ATOM 368 N GLU A 24 5.640 -6.894 -5.259 1.00 0.00 N ATOM 369 CA GLU A 24 5.693 -7.604 -6.558 1.00 0.00 C ATOM 370 C GLU A 24 6.867 -7.073 -7.363 1.00 0.00 C ATOM 371 O GLU A 24 7.363 -7.726 -8.262 1.00 0.00 O ATOM 372 CB GLU A 24 4.380 -7.331 -7.321 1.00 0.00 C ATOM 373 CG GLU A 24 3.291 -8.267 -6.792 1.00 0.00 C ATOM 374 CD GLU A 24 1.936 -7.833 -7.353 1.00 0.00 C ATOM 375 OE1 GLU A 24 1.961 -7.182 -8.383 1.00 0.00 O ATOM 376 OE2 GLU A 24 0.952 -8.178 -6.717 1.00 0.00 O ATOM 0 H GLU A 24 4.761 -6.421 -5.050 1.00 0.00 H new ATOM 0 HA GLU A 24 5.815 -8.676 -6.401 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.078 -6.292 -7.191 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.526 -7.489 -8.390 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.506 -9.295 -7.083 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.271 -8.242 -5.702 1.00 0.00 H new ATOM 383 N GLU A 25 7.285 -5.884 -7.006 1.00 0.00 N ATOM 384 CA GLU A 25 8.420 -5.246 -7.698 1.00 0.00 C ATOM 385 C GLU A 25 9.733 -5.744 -7.105 1.00 0.00 C ATOM 386 O GLU A 25 10.742 -5.811 -7.774 1.00 0.00 O ATOM 387 CB GLU A 25 8.302 -3.719 -7.482 1.00 0.00 C ATOM 388 CG GLU A 25 7.296 -3.145 -8.480 1.00 0.00 C ATOM 389 CD GLU A 25 7.275 -1.619 -8.353 1.00 0.00 C ATOM 390 OE1 GLU A 25 7.542 -1.163 -7.254 1.00 0.00 O ATOM 391 OE2 GLU A 25 6.993 -0.996 -9.365 1.00 0.00 O ATOM 0 H GLU A 25 6.875 -5.330 -6.254 1.00 0.00 H new ATOM 0 HA GLU A 25 8.404 -5.489 -8.761 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.981 -3.508 -6.462 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.274 -3.245 -7.615 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.568 -3.434 -9.495 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.303 -3.552 -8.288 1.00 0.00 H new ATOM 398 N HIS A 26 9.677 -6.082 -5.847 1.00 0.00 N ATOM 399 CA HIS A 26 10.892 -6.584 -5.151 1.00 0.00 C ATOM 400 C HIS A 26 11.124 -8.051 -5.504 1.00 0.00 C ATOM 401 O HIS A 26 12.231 -8.522 -5.493 1.00 0.00 O ATOM 402 CB HIS A 26 10.648 -6.398 -3.607 1.00 0.00 C ATOM 403 CG HIS A 26 10.963 -7.657 -2.778 1.00 0.00 C ATOM 404 ND1 HIS A 26 11.764 -7.691 -1.823 1.00 0.00 N ATOM 405 CD2 HIS A 26 10.392 -8.913 -2.822 1.00 0.00 C ATOM 406 CE1 HIS A 26 11.763 -8.821 -1.254 1.00 0.00 C ATOM 407 NE2 HIS A 26 10.915 -9.676 -1.825 1.00 0.00 N ATOM 0 H HIS A 26 8.838 -6.032 -5.269 1.00 0.00 H new ATOM 0 HA HIS A 26 11.783 -6.035 -5.457 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.263 -5.573 -3.247 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.608 -6.116 -3.443 1.00 0.00 H new ATOM 0 HD1 HIS A 26 12.348 -6.905 -1.536 1.00 0.00 H new ATOM 0 HD2 HIS A 26 9.648 -9.238 -3.535 1.00 0.00 H new ATOM 0 HE1 HIS A 26 12.380 -9.065 -0.402 1.00 0.00 H new ATOM 415 N LYS A 27 10.070 -8.735 -5.822 1.00 0.00 N ATOM 416 CA LYS A 27 10.222 -10.158 -6.174 1.00 0.00 C ATOM 417 C LYS A 27 11.180 -10.316 -7.356 1.00 0.00 C ATOM 418 O LYS A 27 11.672 -11.394 -7.623 1.00 0.00 O ATOM 419 CB LYS A 27 8.841 -10.712 -6.569 1.00 0.00 C ATOM 420 CG LYS A 27 8.032 -10.996 -5.305 1.00 0.00 C ATOM 421 CD LYS A 27 6.719 -11.672 -5.696 1.00 0.00 C ATOM 422 CE LYS A 27 5.843 -11.822 -4.452 1.00 0.00 C ATOM 423 NZ LYS A 27 4.598 -12.566 -4.783 1.00 0.00 N ATOM 0 H LYS A 27 9.118 -8.371 -5.853 1.00 0.00 H new ATOM 0 HA LYS A 27 10.626 -10.701 -5.320 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.315 -9.994 -7.198 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.956 -11.625 -7.154 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.600 -11.638 -4.631 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.833 -10.068 -4.769 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.202 -11.080 -6.451 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.916 -12.649 -6.137 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.393 -12.349 -3.673 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.592 -10.838 -4.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.078 -12.779 -3.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.002 -11.986 -5.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.842 -13.454 -5.265 1.00 0.00 H new ATOM 437 N LYS A 28 11.422 -9.229 -8.042 1.00 0.00 N ATOM 438 CA LYS A 28 12.340 -9.284 -9.211 1.00 0.00 C ATOM 439 C LYS A 28 13.787 -9.497 -8.773 1.00 0.00 C ATOM 440 O LYS A 28 14.673 -9.609 -9.596 1.00 0.00 O ATOM 441 CB LYS A 28 12.245 -7.941 -9.964 1.00 0.00 C ATOM 442 CG LYS A 28 10.833 -7.790 -10.566 1.00 0.00 C ATOM 443 CD LYS A 28 10.859 -6.745 -11.700 1.00 0.00 C ATOM 444 CE LYS A 28 11.501 -5.442 -11.199 1.00 0.00 C ATOM 445 NZ LYS A 28 12.985 -5.534 -11.259 1.00 0.00 N ATOM 0 H LYS A 28 11.024 -8.311 -7.842 1.00 0.00 H new ATOM 0 HA LYS A 28 12.047 -10.119 -9.847 1.00 0.00 H new ATOM 0 HB2 LYS A 28 12.453 -7.115 -9.284 1.00 0.00 H new ATOM 0 HB3 LYS A 28 12.995 -7.900 -10.754 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.487 -8.749 -10.951 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.129 -7.484 -9.793 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.420 -7.133 -12.550 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.845 -6.550 -12.049 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.158 -4.604 -11.806 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.184 -5.244 -10.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 13.372 -4.652 -11.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 13.363 -5.683 -10.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.259 -6.332 -11.867 1.00 0.00 H new ATOM 459 N LYS A 29 14.003 -9.550 -7.485 1.00 0.00 N ATOM 460 CA LYS A 29 15.391 -9.756 -6.984 1.00 0.00 C ATOM 461 C LYS A 29 15.390 -10.199 -5.523 1.00 0.00 C ATOM 462 O LYS A 29 16.277 -9.851 -4.767 1.00 0.00 O ATOM 463 CB LYS A 29 16.167 -8.428 -7.122 1.00 0.00 C ATOM 464 CG LYS A 29 15.503 -7.333 -6.264 1.00 0.00 C ATOM 465 CD LYS A 29 15.916 -5.954 -6.798 1.00 0.00 C ATOM 466 CE LYS A 29 15.462 -4.874 -5.819 1.00 0.00 C ATOM 467 NZ LYS A 29 16.217 -4.980 -4.540 1.00 0.00 N ATOM 0 H LYS A 29 13.285 -9.460 -6.766 1.00 0.00 H new ATOM 0 HA LYS A 29 15.867 -10.540 -7.573 1.00 0.00 H new ATOM 0 HB2 LYS A 29 17.202 -8.568 -6.809 1.00 0.00 H new ATOM 0 HB3 LYS A 29 16.189 -8.118 -8.167 1.00 0.00 H new ATOM 0 HG2 LYS A 29 14.419 -7.438 -6.294 1.00 0.00 H new ATOM 0 HG3 LYS A 29 15.804 -7.438 -5.222 1.00 0.00 H new ATOM 0 HD2 LYS A 29 16.997 -5.911 -6.928 1.00 0.00 H new ATOM 0 HD3 LYS A 29 15.470 -5.783 -7.778 1.00 0.00 H new ATOM 0 HE2 LYS A 29 15.616 -3.888 -6.258 1.00 0.00 H new ATOM 0 HE3 LYS A 29 14.394 -4.974 -5.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 15.550 -4.978 -3.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 16.764 -5.865 -4.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 16.865 -4.172 -4.452 1.00 0.00 H new ATOM 481 N HIS A 30 14.385 -10.968 -5.158 1.00 0.00 N ATOM 482 CA HIS A 30 14.280 -11.466 -3.751 1.00 0.00 C ATOM 483 C HIS A 30 13.564 -12.846 -3.719 1.00 0.00 C ATOM 484 O HIS A 30 12.442 -12.966 -3.261 1.00 0.00 O ATOM 485 CB HIS A 30 13.436 -10.445 -2.945 1.00 0.00 C ATOM 486 CG HIS A 30 14.295 -9.256 -2.494 1.00 0.00 C ATOM 487 ND1 HIS A 30 14.411 -7.987 -3.031 1.00 0.00 N flip ATOM 488 CD2 HIS A 30 14.973 -9.234 -1.450 1.00 0.00 C flip ATOM 489 CE1 HIS A 30 15.196 -7.229 -2.225 1.00 0.00 C flip ATOM 490 NE2 HIS A 30 15.497 -8.094 -1.261 1.00 0.00 N flip ATOM 0 H HIS A 30 13.634 -11.270 -5.778 1.00 0.00 H new ATOM 0 HA HIS A 30 15.277 -11.577 -3.324 1.00 0.00 H new ATOM 0 HB2 HIS A 30 12.608 -10.088 -3.557 1.00 0.00 H new ATOM 0 HB3 HIS A 30 13.001 -10.935 -2.074 1.00 0.00 H new ATOM 0 HD2 HIS A 30 15.099 -10.079 -0.789 1.00 0.00 H new ATOM 0 HE1 HIS A 30 15.496 -6.198 -2.337 1.00 0.00 H new ATOM 0 HE2 HIS A 30 16.084 -7.866 -0.459 1.00 0.00 H new ATOM 498 N PRO A 31 14.232 -13.869 -4.236 1.00 0.00 N ATOM 499 CA PRO A 31 13.658 -15.215 -4.261 1.00 0.00 C ATOM 500 C PRO A 31 13.736 -15.894 -2.885 1.00 0.00 C ATOM 501 O PRO A 31 12.776 -16.473 -2.418 1.00 0.00 O ATOM 502 CB PRO A 31 14.541 -15.992 -5.289 1.00 0.00 C ATOM 503 CG PRO A 31 15.809 -15.110 -5.559 1.00 0.00 C ATOM 504 CD PRO A 31 15.563 -13.743 -4.865 1.00 0.00 C ATOM 0 HA PRO A 31 12.601 -15.194 -4.528 1.00 0.00 H new ATOM 0 HB2 PRO A 31 14.826 -16.967 -4.894 1.00 0.00 H new ATOM 0 HB3 PRO A 31 13.991 -16.171 -6.213 1.00 0.00 H new ATOM 0 HG2 PRO A 31 16.704 -15.589 -5.162 1.00 0.00 H new ATOM 0 HG3 PRO A 31 15.966 -14.977 -6.629 1.00 0.00 H new ATOM 0 HD2 PRO A 31 16.333 -13.533 -4.122 1.00 0.00 H new ATOM 0 HD3 PRO A 31 15.584 -12.925 -5.585 1.00 0.00 H new ATOM 512 N ASP A 32 14.882 -15.798 -2.278 1.00 0.00 N ATOM 513 CA ASP A 32 15.074 -16.425 -0.933 1.00 0.00 C ATOM 514 C ASP A 32 14.531 -15.562 0.203 1.00 0.00 C ATOM 515 O ASP A 32 14.332 -16.042 1.301 1.00 0.00 O ATOM 516 CB ASP A 32 16.582 -16.621 -0.715 1.00 0.00 C ATOM 517 CG ASP A 32 17.153 -17.468 -1.855 1.00 0.00 C ATOM 518 OD1 ASP A 32 16.648 -18.566 -2.020 1.00 0.00 O ATOM 519 OD2 ASP A 32 18.061 -16.966 -2.497 1.00 0.00 O ATOM 0 H ASP A 32 15.698 -15.313 -2.651 1.00 0.00 H new ATOM 0 HA ASP A 32 14.527 -17.367 -0.919 1.00 0.00 H new ATOM 0 HB2 ASP A 32 17.084 -15.654 -0.678 1.00 0.00 H new ATOM 0 HB3 ASP A 32 16.762 -17.110 0.242 1.00 0.00 H new ATOM 524 N ALA A 33 14.299 -14.319 -0.070 1.00 0.00 N ATOM 525 CA ALA A 33 13.774 -13.434 0.996 1.00 0.00 C ATOM 526 C ALA A 33 12.422 -13.931 1.521 1.00 0.00 C ATOM 527 O ALA A 33 12.153 -13.864 2.703 1.00 0.00 O ATOM 528 CB ALA A 33 13.599 -12.015 0.418 1.00 0.00 C ATOM 0 H ALA A 33 14.448 -13.877 -0.977 1.00 0.00 H new ATOM 0 HA ALA A 33 14.481 -13.433 1.825 1.00 0.00 H new ATOM 0 HB1 ALA A 33 13.213 -11.352 1.192 1.00 0.00 H new ATOM 0 HB2 ALA A 33 14.562 -11.643 0.069 1.00 0.00 H new ATOM 0 HB3 ALA A 33 12.898 -12.046 -0.416 1.00 0.00 H new ATOM 534 N SER A 34 11.599 -14.411 0.624 1.00 0.00 N ATOM 535 CA SER A 34 10.264 -14.915 1.038 1.00 0.00 C ATOM 536 C SER A 34 9.467 -13.821 1.751 1.00 0.00 C ATOM 537 O SER A 34 8.366 -14.056 2.198 1.00 0.00 O ATOM 538 CB SER A 34 10.451 -16.117 1.990 1.00 0.00 C ATOM 539 OG SER A 34 11.627 -16.762 1.519 1.00 0.00 O ATOM 0 H SER A 34 11.797 -14.474 -0.375 1.00 0.00 H new ATOM 0 HA SER A 34 9.712 -15.221 0.149 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.564 -15.791 3.024 1.00 0.00 H new ATOM 0 HB3 SER A 34 9.591 -16.786 1.959 1.00 0.00 H new ATOM 0 HG SER A 34 11.818 -17.544 2.078 1.00 0.00 H new ATOM 545 N VAL A 35 10.052 -12.644 1.829 1.00 0.00 N ATOM 546 CA VAL A 35 9.373 -11.497 2.498 1.00 0.00 C ATOM 547 C VAL A 35 8.800 -11.875 3.873 1.00 0.00 C ATOM 548 O VAL A 35 7.645 -12.237 3.995 1.00 0.00 O ATOM 549 CB VAL A 35 8.236 -11.036 1.582 1.00 0.00 C ATOM 550 CG1 VAL A 35 7.626 -9.745 2.130 1.00 0.00 C ATOM 551 CG2 VAL A 35 8.804 -10.762 0.186 1.00 0.00 C ATOM 0 H VAL A 35 10.977 -12.434 1.453 1.00 0.00 H new ATOM 0 HA VAL A 35 10.104 -10.706 2.666 1.00 0.00 H new ATOM 0 HB VAL A 35 7.470 -11.810 1.534 1.00 0.00 H new ATOM 0 HG11 VAL A 35 6.817 -9.419 1.476 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.234 -9.924 3.131 1.00 0.00 H new ATOM 0 HG13 VAL A 35 8.392 -8.971 2.174 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.002 -10.433 -0.475 1.00 0.00 H new ATOM 0 HG22 VAL A 35 9.565 -9.984 0.249 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.250 -11.674 -0.211 1.00 0.00 H new ATOM 561 N ASN A 36 9.614 -11.756 4.885 1.00 0.00 N ATOM 562 CA ASN A 36 9.137 -12.101 6.247 1.00 0.00 C ATOM 563 C ASN A 36 8.167 -11.043 6.770 1.00 0.00 C ATOM 564 O ASN A 36 7.689 -11.139 7.883 1.00 0.00 O ATOM 565 CB ASN A 36 10.353 -12.146 7.187 1.00 0.00 C ATOM 566 CG ASN A 36 11.298 -13.266 6.746 1.00 0.00 C ATOM 567 OD1 ASN A 36 10.872 -14.325 6.334 1.00 0.00 O ATOM 568 ND2 ASN A 36 12.588 -13.069 6.814 1.00 0.00 N ATOM 0 H ASN A 36 10.581 -11.437 4.826 1.00 0.00 H new ATOM 0 HA ASN A 36 8.625 -13.062 6.209 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.874 -11.189 7.171 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.027 -12.314 8.213 1.00 0.00 H new ATOM 0 HD21 ASN A 36 13.232 -13.804 6.521 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.951 -12.181 7.160 1.00 0.00 H new ATOM 575 N PHE A 37 7.893 -10.055 5.948 1.00 0.00 N ATOM 576 CA PHE A 37 6.956 -8.976 6.372 1.00 0.00 C ATOM 577 C PHE A 37 7.395 -8.400 7.721 1.00 0.00 C ATOM 578 O PHE A 37 6.658 -7.689 8.381 1.00 0.00 O ATOM 579 CB PHE A 37 5.512 -9.569 6.457 1.00 0.00 C ATOM 580 CG PHE A 37 4.802 -9.322 5.117 1.00 0.00 C ATOM 581 CD1 PHE A 37 4.438 -8.037 4.747 1.00 0.00 C ATOM 582 CD2 PHE A 37 4.574 -10.364 4.236 1.00 0.00 C ATOM 583 CE1 PHE A 37 3.861 -7.800 3.519 1.00 0.00 C ATOM 584 CE2 PHE A 37 3.996 -10.121 3.005 1.00 0.00 C ATOM 585 CZ PHE A 37 3.642 -8.838 2.649 1.00 0.00 C ATOM 0 H PHE A 37 8.278 -9.954 5.009 1.00 0.00 H new ATOM 0 HA PHE A 37 6.965 -8.164 5.645 1.00 0.00 H new ATOM 0 HB2 PHE A 37 5.553 -10.637 6.672 1.00 0.00 H new ATOM 0 HB3 PHE A 37 4.958 -9.101 7.271 1.00 0.00 H new ATOM 0 HD1 PHE A 37 4.608 -7.215 5.427 1.00 0.00 H new ATOM 0 HD2 PHE A 37 4.849 -11.371 4.512 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.580 -6.795 3.240 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.821 -10.938 2.321 1.00 0.00 H new ATOM 0 HZ PHE A 37 3.192 -8.649 1.685 1.00 0.00 H new ATOM 595 N SER A 38 8.617 -8.731 8.079 1.00 0.00 N ATOM 596 CA SER A 38 9.219 -8.257 9.363 1.00 0.00 C ATOM 597 C SER A 38 10.637 -7.824 9.079 1.00 0.00 C ATOM 598 O SER A 38 11.454 -7.686 9.966 1.00 0.00 O ATOM 599 CB SER A 38 9.238 -9.425 10.363 1.00 0.00 C ATOM 600 OG SER A 38 7.904 -9.910 10.354 1.00 0.00 O ATOM 0 H SER A 38 9.232 -9.323 7.520 1.00 0.00 H new ATOM 0 HA SER A 38 8.644 -7.430 9.778 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.945 -10.197 10.060 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.535 -9.093 11.358 1.00 0.00 H new ATOM 0 HG SER A 38 7.771 -10.488 9.574 1.00 0.00 H new ATOM 606 N GLU A 39 10.890 -7.624 7.814 1.00 0.00 N ATOM 607 CA GLU A 39 12.231 -7.196 7.365 1.00 0.00 C ATOM 608 C GLU A 39 12.112 -6.497 6.025 1.00 0.00 C ATOM 609 O GLU A 39 12.941 -5.686 5.660 1.00 0.00 O ATOM 610 CB GLU A 39 13.094 -8.455 7.191 1.00 0.00 C ATOM 611 CG GLU A 39 14.506 -8.051 6.764 1.00 0.00 C ATOM 612 CD GLU A 39 15.429 -9.269 6.851 1.00 0.00 C ATOM 613 OE1 GLU A 39 14.963 -10.330 6.466 1.00 0.00 O ATOM 614 OE2 GLU A 39 16.547 -9.071 7.298 1.00 0.00 O ATOM 0 H GLU A 39 10.207 -7.743 7.066 1.00 0.00 H new ATOM 0 HA GLU A 39 12.676 -6.516 8.092 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.131 -9.015 8.125 1.00 0.00 H new ATOM 0 HB3 GLU A 39 12.651 -9.112 6.443 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.493 -7.662 5.746 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.878 -7.252 7.406 1.00 0.00 H new ATOM 621 N PHE A 40 11.058 -6.837 5.322 1.00 0.00 N ATOM 622 CA PHE A 40 10.807 -6.237 3.990 1.00 0.00 C ATOM 623 C PHE A 40 10.037 -4.928 4.110 1.00 0.00 C ATOM 624 O PHE A 40 10.451 -3.923 3.585 1.00 0.00 O ATOM 625 CB PHE A 40 9.968 -7.230 3.183 1.00 0.00 C ATOM 626 CG PHE A 40 9.686 -6.631 1.813 1.00 0.00 C ATOM 627 CD1 PHE A 40 10.730 -6.322 0.961 1.00 0.00 C ATOM 628 CD2 PHE A 40 8.391 -6.349 1.421 1.00 0.00 C ATOM 629 CE1 PHE A 40 10.483 -5.738 -0.250 1.00 0.00 C ATOM 630 CE2 PHE A 40 8.148 -5.766 0.208 1.00 0.00 C ATOM 631 CZ PHE A 40 9.191 -5.455 -0.630 1.00 0.00 C ATOM 0 H PHE A 40 10.357 -7.514 5.625 1.00 0.00 H new ATOM 0 HA PHE A 40 11.760 -6.027 3.505 1.00 0.00 H new ATOM 0 HB2 PHE A 40 10.499 -8.176 3.079 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.033 -7.444 3.701 1.00 0.00 H new ATOM 0 HD1 PHE A 40 11.746 -6.543 1.254 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.567 -6.590 2.076 1.00 0.00 H new ATOM 0 HE1 PHE A 40 11.304 -5.498 -0.910 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.133 -5.550 -0.092 1.00 0.00 H new ATOM 0 HZ PHE A 40 8.998 -4.989 -1.585 1.00 0.00 H new ATOM 641 N SER A 41 8.889 -4.984 4.737 1.00 0.00 N ATOM 642 CA SER A 41 8.082 -3.748 4.903 1.00 0.00 C ATOM 643 C SER A 41 8.930 -2.655 5.524 1.00 0.00 C ATOM 644 O SER A 41 8.662 -1.504 5.348 1.00 0.00 O ATOM 645 CB SER A 41 6.896 -4.055 5.835 1.00 0.00 C ATOM 646 OG SER A 41 6.095 -2.883 5.778 1.00 0.00 O ATOM 0 H SER A 41 8.482 -5.829 5.137 1.00 0.00 H new ATOM 0 HA SER A 41 7.724 -3.413 3.929 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.343 -4.932 5.500 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.231 -4.259 6.852 1.00 0.00 H new ATOM 0 HG SER A 41 5.308 -2.997 6.350 1.00 0.00 H new ATOM 652 N LYS A 42 9.923 -3.033 6.276 1.00 0.00 N ATOM 653 CA LYS A 42 10.765 -1.995 6.884 1.00 0.00 C ATOM 654 C LYS A 42 11.397 -1.199 5.755 1.00 0.00 C ATOM 655 O LYS A 42 11.653 -0.016 5.870 1.00 0.00 O ATOM 656 CB LYS A 42 11.873 -2.675 7.723 1.00 0.00 C ATOM 657 CG LYS A 42 11.329 -3.001 9.119 1.00 0.00 C ATOM 658 CD LYS A 42 10.085 -3.885 8.990 1.00 0.00 C ATOM 659 CE LYS A 42 9.689 -4.395 10.373 1.00 0.00 C ATOM 660 NZ LYS A 42 10.679 -5.394 10.865 1.00 0.00 N ATOM 0 H LYS A 42 10.177 -3.998 6.487 1.00 0.00 H new ATOM 0 HA LYS A 42 10.178 -1.342 7.530 1.00 0.00 H new ATOM 0 HB2 LYS A 42 12.209 -3.587 7.230 1.00 0.00 H new ATOM 0 HB3 LYS A 42 12.739 -2.018 7.803 1.00 0.00 H new ATOM 0 HG2 LYS A 42 12.091 -3.511 9.708 1.00 0.00 H new ATOM 0 HG3 LYS A 42 11.081 -2.081 9.648 1.00 0.00 H new ATOM 0 HD2 LYS A 42 9.265 -3.318 8.549 1.00 0.00 H new ATOM 0 HD3 LYS A 42 10.287 -4.724 8.324 1.00 0.00 H new ATOM 0 HE2 LYS A 42 9.629 -3.560 11.071 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.698 -4.847 10.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 10.179 -6.245 11.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 11.327 -5.650 10.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 11.222 -4.986 11.652 1.00 0.00 H new ATOM 674 N LYS A 43 11.629 -1.896 4.674 1.00 0.00 N ATOM 675 CA LYS A 43 12.231 -1.280 3.495 1.00 0.00 C ATOM 676 C LYS A 43 11.209 -0.412 2.745 1.00 0.00 C ATOM 677 O LYS A 43 11.447 0.756 2.501 1.00 0.00 O ATOM 678 CB LYS A 43 12.690 -2.445 2.583 1.00 0.00 C ATOM 679 CG LYS A 43 13.945 -2.059 1.794 1.00 0.00 C ATOM 680 CD LYS A 43 14.543 -3.331 1.204 1.00 0.00 C ATOM 681 CE LYS A 43 15.640 -2.962 0.211 1.00 0.00 C ATOM 682 NZ LYS A 43 16.192 -4.188 -0.430 1.00 0.00 N ATOM 0 H LYS A 43 11.415 -2.888 4.574 1.00 0.00 H new ATOM 0 HA LYS A 43 13.061 -0.633 3.781 1.00 0.00 H new ATOM 0 HB2 LYS A 43 12.894 -3.328 3.189 1.00 0.00 H new ATOM 0 HB3 LYS A 43 11.889 -2.710 1.893 1.00 0.00 H new ATOM 0 HG2 LYS A 43 13.695 -1.353 1.002 1.00 0.00 H new ATOM 0 HG3 LYS A 43 14.667 -1.565 2.445 1.00 0.00 H new ATOM 0 HD2 LYS A 43 14.951 -3.956 1.998 1.00 0.00 H new ATOM 0 HD3 LYS A 43 13.768 -3.914 0.706 1.00 0.00 H new ATOM 0 HE2 LYS A 43 15.240 -2.294 -0.551 1.00 0.00 H new ATOM 0 HE3 LYS A 43 16.436 -2.421 0.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 16.938 -3.922 -1.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 16.591 -4.812 0.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 15.432 -4.688 -0.935 1.00 0.00 H new ATOM 696 N CYS A 44 10.081 -1.000 2.395 1.00 0.00 N ATOM 697 CA CYS A 44 9.067 -0.217 1.677 1.00 0.00 C ATOM 698 C CYS A 44 8.613 0.952 2.529 1.00 0.00 C ATOM 699 O CYS A 44 8.269 2.003 2.025 1.00 0.00 O ATOM 700 CB CYS A 44 7.889 -1.128 1.377 1.00 0.00 C ATOM 701 SG CYS A 44 8.232 -2.660 0.475 1.00 0.00 S ATOM 0 H CYS A 44 9.840 -1.973 2.581 1.00 0.00 H new ATOM 0 HA CYS A 44 9.485 0.176 0.750 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.418 -1.392 2.324 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.158 -0.557 0.805 1.00 0.00 H new ATOM 0 HG CYS A 44 8.014 -3.679 1.252 1.00 0.00 H new ATOM 707 N SER A 45 8.627 0.744 3.807 1.00 0.00 N ATOM 708 CA SER A 45 8.205 1.826 4.734 1.00 0.00 C ATOM 709 C SER A 45 9.160 2.991 4.602 1.00 0.00 C ATOM 710 O SER A 45 8.762 4.138 4.607 1.00 0.00 O ATOM 711 CB SER A 45 8.272 1.298 6.183 1.00 0.00 C ATOM 712 OG SER A 45 8.085 2.457 6.982 1.00 0.00 O ATOM 0 H SER A 45 8.912 -0.127 4.254 1.00 0.00 H new ATOM 0 HA SER A 45 7.190 2.143 4.493 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.498 0.554 6.372 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.230 0.821 6.390 1.00 0.00 H new ATOM 0 HG SER A 45 7.953 2.192 7.916 1.00 0.00 H new ATOM 718 N GLU A 46 10.416 2.666 4.486 1.00 0.00 N ATOM 719 CA GLU A 46 11.435 3.720 4.349 1.00 0.00 C ATOM 720 C GLU A 46 11.294 4.408 3.000 1.00 0.00 C ATOM 721 O GLU A 46 11.846 5.469 2.786 1.00 0.00 O ATOM 722 CB GLU A 46 12.823 3.051 4.439 1.00 0.00 C ATOM 723 CG GLU A 46 13.876 4.103 4.789 1.00 0.00 C ATOM 724 CD GLU A 46 15.235 3.420 4.948 1.00 0.00 C ATOM 725 OE1 GLU A 46 15.497 2.989 6.060 1.00 0.00 O ATOM 726 OE2 GLU A 46 15.935 3.367 3.951 1.00 0.00 O ATOM 0 H GLU A 46 10.774 1.711 4.481 1.00 0.00 H new ATOM 0 HA GLU A 46 11.313 4.465 5.135 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.812 2.267 5.196 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.071 2.575 3.490 1.00 0.00 H new ATOM 0 HG2 GLU A 46 13.925 4.860 4.006 1.00 0.00 H new ATOM 0 HG3 GLU A 46 13.603 4.616 5.711 1.00 0.00 H new ATOM 733 N ARG A 47 10.541 3.769 2.114 1.00 0.00 N ATOM 734 CA ARG A 47 10.312 4.322 0.745 1.00 0.00 C ATOM 735 C ARG A 47 8.930 4.985 0.636 1.00 0.00 C ATOM 736 O ARG A 47 8.641 5.643 -0.342 1.00 0.00 O ATOM 737 CB ARG A 47 10.383 3.143 -0.255 1.00 0.00 C ATOM 738 CG ARG A 47 10.719 3.677 -1.658 1.00 0.00 C ATOM 739 CD ARG A 47 10.961 2.495 -2.611 1.00 0.00 C ATOM 740 NE ARG A 47 12.377 2.056 -2.475 1.00 0.00 N ATOM 741 CZ ARG A 47 13.323 2.766 -3.022 1.00 0.00 C ATOM 742 NH1 ARG A 47 13.001 3.845 -3.683 1.00 0.00 N ATOM 743 NH2 ARG A 47 14.561 2.382 -2.880 1.00 0.00 N ATOM 0 H ARG A 47 10.076 2.879 2.295 1.00 0.00 H new ATOM 0 HA ARG A 47 11.067 5.078 0.530 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.141 2.427 0.064 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.431 2.612 -0.275 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.902 4.296 -2.029 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.605 4.311 -1.615 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.286 1.673 -2.373 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.754 2.790 -3.640 1.00 0.00 H new ATOM 0 HE ARG A 47 12.605 1.207 -1.958 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.022 4.120 -3.765 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.728 4.413 -4.118 1.00 0.00 H new ATOM 0 HH21 ARG A 47 14.776 1.539 -2.348 1.00 0.00 H new ATOM 0 HH22 ARG A 47 15.315 2.925 -3.301 1.00 0.00 H new ATOM 757 N TRP A 48 8.109 4.781 1.651 1.00 0.00 N ATOM 758 CA TRP A 48 6.725 5.375 1.669 1.00 0.00 C ATOM 759 C TRP A 48 6.667 6.613 2.568 1.00 0.00 C ATOM 760 O TRP A 48 6.355 7.698 2.115 1.00 0.00 O ATOM 761 CB TRP A 48 5.803 4.262 2.216 1.00 0.00 C ATOM 762 CG TRP A 48 4.545 4.818 2.897 1.00 0.00 C ATOM 763 CD1 TRP A 48 4.438 4.979 4.200 1.00 0.00 C ATOM 764 CD2 TRP A 48 3.386 4.998 2.305 1.00 0.00 C ATOM 765 NE1 TRP A 48 3.134 5.247 4.386 1.00 0.00 N ATOM 766 CE2 TRP A 48 2.395 5.275 3.227 1.00 0.00 C ATOM 767 CE3 TRP A 48 3.071 4.923 0.968 1.00 0.00 C ATOM 768 CZ2 TRP A 48 1.096 5.461 2.822 1.00 0.00 C ATOM 769 CZ3 TRP A 48 1.755 5.116 0.557 1.00 0.00 C ATOM 770 CH2 TRP A 48 0.771 5.383 1.493 1.00 0.00 C ATOM 0 H TRP A 48 8.342 4.224 2.473 1.00 0.00 H new ATOM 0 HA TRP A 48 6.421 5.702 0.675 1.00 0.00 H new ATOM 0 HB2 TRP A 48 5.508 3.605 1.398 1.00 0.00 H new ATOM 0 HB3 TRP A 48 6.359 3.653 2.929 1.00 0.00 H new ATOM 0 HD1 TRP A 48 5.217 4.911 4.945 1.00 0.00 H new ATOM 0 HE1 TRP A 48 2.728 5.415 5.307 1.00 0.00 H new ATOM 0 HE3 TRP A 48 3.841 4.715 0.240 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 0.329 5.669 3.553 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 1.502 5.057 -0.491 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -0.251 5.530 1.177 1.00 0.00 H new ATOM 781 N LYS A 49 6.961 6.408 3.819 1.00 0.00 N ATOM 782 CA LYS A 49 6.942 7.548 4.807 1.00 0.00 C ATOM 783 C LYS A 49 7.682 8.774 4.264 1.00 0.00 C ATOM 784 O LYS A 49 7.502 9.879 4.740 1.00 0.00 O ATOM 785 CB LYS A 49 7.692 7.098 6.086 1.00 0.00 C ATOM 786 CG LYS A 49 6.870 6.051 6.854 1.00 0.00 C ATOM 787 CD LYS A 49 7.351 5.998 8.320 1.00 0.00 C ATOM 788 CE LYS A 49 8.880 5.829 8.361 1.00 0.00 C ATOM 789 NZ LYS A 49 9.314 4.730 7.448 1.00 0.00 N ATOM 0 H LYS A 49 7.216 5.502 4.212 1.00 0.00 H new ATOM 0 HA LYS A 49 5.902 7.809 5.002 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.663 6.681 5.817 1.00 0.00 H new ATOM 0 HB3 LYS A 49 7.882 7.960 6.725 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.811 6.305 6.816 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.980 5.072 6.388 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.063 6.911 8.840 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.870 5.170 8.840 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.362 6.762 8.070 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.199 5.610 9.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.178 4.288 7.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.561 4.016 7.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.506 5.119 6.503 1.00 0.00 H new ATOM 803 N THR A 50 8.496 8.542 3.279 1.00 0.00 N ATOM 804 CA THR A 50 9.282 9.640 2.662 1.00 0.00 C ATOM 805 C THR A 50 8.502 10.418 1.600 1.00 0.00 C ATOM 806 O THR A 50 8.655 11.617 1.475 1.00 0.00 O ATOM 807 CB THR A 50 10.497 8.980 1.999 1.00 0.00 C ATOM 808 OG1 THR A 50 10.889 9.830 0.933 1.00 0.00 O ATOM 809 CG2 THR A 50 10.068 7.672 1.326 1.00 0.00 C ATOM 0 H THR A 50 8.653 7.622 2.868 1.00 0.00 H new ATOM 0 HA THR A 50 9.551 10.360 3.435 1.00 0.00 H new ATOM 0 HB THR A 50 11.276 8.808 2.741 1.00 0.00 H new ATOM 0 HG1 THR A 50 11.668 9.447 0.478 1.00 0.00 H new ATOM 0 HG21 THR A 50 10.933 7.204 0.855 1.00 0.00 H new ATOM 0 HG22 THR A 50 9.653 6.997 2.074 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.313 7.883 0.569 1.00 0.00 H new ATOM 817 N MET A 51 7.701 9.729 0.855 1.00 0.00 N ATOM 818 CA MET A 51 6.917 10.420 -0.198 1.00 0.00 C ATOM 819 C MET A 51 6.056 11.530 0.379 1.00 0.00 C ATOM 820 O MET A 51 5.978 11.697 1.581 1.00 0.00 O ATOM 821 CB MET A 51 6.005 9.393 -0.885 1.00 0.00 C ATOM 822 CG MET A 51 6.851 8.227 -1.395 1.00 0.00 C ATOM 823 SD MET A 51 6.065 7.060 -2.536 1.00 0.00 S ATOM 824 CE MET A 51 4.534 6.814 -1.603 1.00 0.00 C ATOM 0 H MET A 51 7.552 8.722 0.925 1.00 0.00 H new ATOM 0 HA MET A 51 7.615 10.865 -0.907 1.00 0.00 H new ATOM 0 HB2 MET A 51 5.252 9.032 -0.184 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.472 9.860 -1.713 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.730 8.640 -1.889 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.206 7.665 -0.531 1.00 0.00 H new ATOM 0 HE1 MET A 51 3.979 5.978 -2.028 1.00 0.00 H new ATOM 0 HE2 MET A 51 4.773 6.599 -0.562 1.00 0.00 H new ATOM 0 HE3 MET A 51 3.926 7.717 -1.657 1.00 0.00 H new ATOM 834 N SER A 52 5.416 12.270 -0.510 1.00 0.00 N ATOM 835 CA SER A 52 4.538 13.392 -0.068 1.00 0.00 C ATOM 836 C SER A 52 3.117 12.900 0.040 1.00 0.00 C ATOM 837 O SER A 52 2.776 11.893 -0.545 1.00 0.00 O ATOM 838 CB SER A 52 4.595 14.499 -1.136 1.00 0.00 C ATOM 839 OG SER A 52 3.980 15.617 -0.511 1.00 0.00 O ATOM 0 H SER A 52 5.470 12.138 -1.520 1.00 0.00 H new ATOM 0 HA SER A 52 4.871 13.770 0.898 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.622 14.720 -1.426 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.064 14.207 -2.042 1.00 0.00 H new ATOM 0 HG SER A 52 3.976 16.377 -1.130 1.00 0.00 H new ATOM 845 N ALA A 53 2.306 13.593 0.783 1.00 0.00 N ATOM 846 CA ALA A 53 0.918 13.139 0.906 1.00 0.00 C ATOM 847 C ALA A 53 0.274 13.044 -0.464 1.00 0.00 C ATOM 848 O ALA A 53 -0.746 12.405 -0.632 1.00 0.00 O ATOM 849 CB ALA A 53 0.142 14.124 1.764 1.00 0.00 C ATOM 0 H ALA A 53 2.548 14.439 1.299 1.00 0.00 H new ATOM 0 HA ALA A 53 0.905 12.153 1.371 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.891 13.790 1.858 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.596 14.181 2.753 1.00 0.00 H new ATOM 0 HB3 ALA A 53 0.164 15.109 1.297 1.00 0.00 H new ATOM 855 N LYS A 54 0.885 13.687 -1.427 1.00 0.00 N ATOM 856 CA LYS A 54 0.323 13.641 -2.791 1.00 0.00 C ATOM 857 C LYS A 54 0.332 12.210 -3.287 1.00 0.00 C ATOM 858 O LYS A 54 -0.690 11.678 -3.686 1.00 0.00 O ATOM 859 CB LYS A 54 1.204 14.489 -3.722 1.00 0.00 C ATOM 860 CG LYS A 54 1.165 15.948 -3.266 1.00 0.00 C ATOM 861 CD LYS A 54 2.299 16.724 -3.955 1.00 0.00 C ATOM 862 CE LYS A 54 2.197 16.549 -5.481 1.00 0.00 C ATOM 863 NZ LYS A 54 2.868 15.288 -5.911 1.00 0.00 N ATOM 0 H LYS A 54 1.739 14.234 -1.320 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.697 14.026 -2.781 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.229 14.119 -3.708 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.850 14.408 -4.750 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.201 16.393 -3.513 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.274 16.006 -2.183 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.239 17.781 -3.696 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.265 16.364 -3.602 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.149 16.530 -5.781 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.657 17.401 -5.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.494 15.485 -6.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.429 14.907 -5.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.149 14.591 -6.192 1.00 0.00 H new ATOM 877 N GLU A 55 1.490 11.598 -3.248 1.00 0.00 N ATOM 878 CA GLU A 55 1.569 10.202 -3.712 1.00 0.00 C ATOM 879 C GLU A 55 0.857 9.305 -2.727 1.00 0.00 C ATOM 880 O GLU A 55 0.048 8.484 -3.099 1.00 0.00 O ATOM 881 CB GLU A 55 3.038 9.791 -3.785 1.00 0.00 C ATOM 882 CG GLU A 55 3.768 10.706 -4.770 1.00 0.00 C ATOM 883 CD GLU A 55 3.202 10.488 -6.174 1.00 0.00 C ATOM 884 OE1 GLU A 55 3.596 9.497 -6.769 1.00 0.00 O ATOM 885 OE2 GLU A 55 2.405 11.320 -6.571 1.00 0.00 O ATOM 0 H GLU A 55 2.365 12.007 -2.918 1.00 0.00 H new ATOM 0 HA GLU A 55 1.103 10.112 -4.693 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.497 9.859 -2.798 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.122 8.752 -4.104 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.648 11.748 -4.474 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.837 10.493 -4.759 1.00 0.00 H new ATOM 892 N LYS A 56 1.142 9.489 -1.470 1.00 0.00 N ATOM 893 CA LYS A 56 0.477 8.642 -0.477 1.00 0.00 C ATOM 894 C LYS A 56 -1.007 8.958 -0.510 1.00 0.00 C ATOM 895 O LYS A 56 -1.803 8.345 0.169 1.00 0.00 O ATOM 896 CB LYS A 56 1.037 8.955 0.922 1.00 0.00 C ATOM 897 CG LYS A 56 2.590 8.918 0.880 1.00 0.00 C ATOM 898 CD LYS A 56 3.189 9.576 2.164 1.00 0.00 C ATOM 899 CE LYS A 56 3.422 8.518 3.255 1.00 0.00 C ATOM 900 NZ LYS A 56 2.125 8.054 3.824 1.00 0.00 N ATOM 0 H LYS A 56 1.797 10.180 -1.103 1.00 0.00 H new ATOM 0 HA LYS A 56 0.647 7.589 -0.700 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.695 9.936 1.251 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.665 8.229 1.645 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.933 7.886 0.799 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.948 9.443 -0.006 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.130 10.069 1.921 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.512 10.346 2.535 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.965 7.671 2.837 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.044 8.936 4.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 2.210 7.969 4.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.379 8.741 3.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.880 7.128 3.420 1.00 0.00 H new ATOM 914 N GLY A 57 -1.337 9.936 -1.328 1.00 0.00 N ATOM 915 CA GLY A 57 -2.755 10.361 -1.468 1.00 0.00 C ATOM 916 C GLY A 57 -3.534 9.395 -2.371 1.00 0.00 C ATOM 917 O GLY A 57 -4.533 8.843 -1.964 1.00 0.00 O ATOM 0 H GLY A 57 -0.674 10.455 -1.904 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.224 10.403 -0.485 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.797 11.367 -1.885 1.00 0.00 H new ATOM 921 N LYS A 58 -3.086 9.212 -3.591 1.00 0.00 N ATOM 922 CA LYS A 58 -3.840 8.276 -4.462 1.00 0.00 C ATOM 923 C LYS A 58 -3.769 6.875 -3.890 1.00 0.00 C ATOM 924 O LYS A 58 -4.493 6.000 -4.308 1.00 0.00 O ATOM 925 CB LYS A 58 -3.291 8.293 -5.922 1.00 0.00 C ATOM 926 CG LYS A 58 -1.747 8.223 -5.951 1.00 0.00 C ATOM 927 CD LYS A 58 -1.272 6.758 -5.966 1.00 0.00 C ATOM 928 CE LYS A 58 0.252 6.722 -6.130 1.00 0.00 C ATOM 929 NZ LYS A 58 0.693 5.376 -6.590 1.00 0.00 N ATOM 0 H LYS A 58 -2.264 9.653 -4.003 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.880 8.601 -4.495 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.704 7.450 -6.476 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.624 9.200 -6.426 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.370 8.742 -6.832 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.338 8.735 -5.080 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.562 6.260 -5.041 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.750 6.217 -6.782 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.565 7.479 -6.849 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.732 6.965 -5.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.350 5.480 -7.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.173 4.883 -5.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.135 4.824 -6.892 1.00 0.00 H new ATOM 943 N PHE A 59 -2.890 6.695 -2.919 1.00 0.00 N ATOM 944 CA PHE A 59 -2.747 5.352 -2.283 1.00 0.00 C ATOM 945 C PHE A 59 -3.765 5.280 -1.169 1.00 0.00 C ATOM 946 O PHE A 59 -4.229 4.222 -0.795 1.00 0.00 O ATOM 947 CB PHE A 59 -1.322 5.217 -1.675 1.00 0.00 C ATOM 948 CG PHE A 59 -0.339 4.646 -2.721 1.00 0.00 C ATOM 949 CD1 PHE A 59 -0.579 3.424 -3.326 1.00 0.00 C ATOM 950 CD2 PHE A 59 0.809 5.344 -3.060 1.00 0.00 C ATOM 951 CE1 PHE A 59 0.309 2.919 -4.250 1.00 0.00 C ATOM 952 CE2 PHE A 59 1.691 4.834 -3.984 1.00 0.00 C ATOM 953 CZ PHE A 59 1.442 3.622 -4.578 1.00 0.00 C ATOM 0 H PHE A 59 -2.275 7.419 -2.549 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.899 4.557 -3.013 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -0.973 6.191 -1.333 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.353 4.565 -0.802 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.467 2.864 -3.072 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.013 6.297 -2.595 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.113 1.966 -4.719 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.581 5.388 -4.243 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.136 3.222 -5.302 1.00 0.00 H new ATOM 963 N GLU A 60 -4.086 6.443 -0.660 1.00 0.00 N ATOM 964 CA GLU A 60 -5.066 6.527 0.429 1.00 0.00 C ATOM 965 C GLU A 60 -6.436 6.317 -0.173 1.00 0.00 C ATOM 966 O GLU A 60 -7.372 5.923 0.495 1.00 0.00 O ATOM 967 CB GLU A 60 -4.965 7.965 1.061 1.00 0.00 C ATOM 968 CG GLU A 60 -4.436 7.886 2.502 1.00 0.00 C ATOM 969 CD GLU A 60 -5.578 7.486 3.444 1.00 0.00 C ATOM 970 OE1 GLU A 60 -5.823 6.296 3.524 1.00 0.00 O ATOM 971 OE2 GLU A 60 -6.141 8.397 4.028 1.00 0.00 O ATOM 0 H GLU A 60 -3.700 7.337 -0.965 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.884 5.778 1.200 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.303 8.587 0.458 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.945 8.441 1.053 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.627 7.158 2.564 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.023 8.849 2.802 1.00 0.00 H new ATOM 978 N ASP A 61 -6.511 6.589 -1.447 1.00 0.00 N ATOM 979 CA ASP A 61 -7.788 6.428 -2.168 1.00 0.00 C ATOM 980 C ASP A 61 -7.973 4.977 -2.569 1.00 0.00 C ATOM 981 O ASP A 61 -9.062 4.449 -2.505 1.00 0.00 O ATOM 982 CB ASP A 61 -7.726 7.293 -3.433 1.00 0.00 C ATOM 983 CG ASP A 61 -9.002 7.090 -4.251 1.00 0.00 C ATOM 984 OD1 ASP A 61 -9.971 7.753 -3.917 1.00 0.00 O ATOM 985 OD2 ASP A 61 -8.938 6.284 -5.165 1.00 0.00 O ATOM 0 H ASP A 61 -5.732 6.918 -2.017 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.620 6.729 -1.531 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -7.617 8.344 -3.163 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -6.853 7.024 -4.028 1.00 0.00 H new ATOM 990 N MET A 62 -6.909 4.351 -2.991 1.00 0.00 N ATOM 991 CA MET A 62 -7.035 2.947 -3.386 1.00 0.00 C ATOM 992 C MET A 62 -7.398 2.127 -2.167 1.00 0.00 C ATOM 993 O MET A 62 -8.247 1.264 -2.233 1.00 0.00 O ATOM 994 CB MET A 62 -5.691 2.457 -3.982 1.00 0.00 C ATOM 995 CG MET A 62 -5.570 2.917 -5.453 1.00 0.00 C ATOM 996 SD MET A 62 -4.283 2.143 -6.468 1.00 0.00 S ATOM 997 CE MET A 62 -2.895 2.442 -5.351 1.00 0.00 C ATOM 0 H MET A 62 -5.976 4.755 -3.074 1.00 0.00 H new ATOM 0 HA MET A 62 -7.814 2.837 -4.140 1.00 0.00 H new ATOM 0 HB2 MET A 62 -4.859 2.852 -3.399 1.00 0.00 H new ATOM 0 HB3 MET A 62 -5.633 1.370 -3.926 1.00 0.00 H new ATOM 0 HG2 MET A 62 -6.530 2.746 -5.939 1.00 0.00 H new ATOM 0 HG3 MET A 62 -5.399 3.993 -5.456 1.00 0.00 H new ATOM 0 HE1 MET A 62 -1.961 2.201 -5.859 1.00 0.00 H new ATOM 0 HE2 MET A 62 -2.887 3.491 -5.054 1.00 0.00 H new ATOM 0 HE3 MET A 62 -2.999 1.815 -4.466 1.00 0.00 H new ATOM 1007 N ALA A 63 -6.745 2.398 -1.067 1.00 0.00 N ATOM 1008 CA ALA A 63 -7.064 1.634 0.150 1.00 0.00 C ATOM 1009 C ALA A 63 -8.522 1.885 0.526 1.00 0.00 C ATOM 1010 O ALA A 63 -9.190 1.016 1.049 1.00 0.00 O ATOM 1011 CB ALA A 63 -6.144 2.112 1.288 1.00 0.00 C ATOM 0 H ALA A 63 -6.017 3.106 -0.969 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.913 0.568 -0.020 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.369 1.554 2.197 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -5.104 1.946 1.009 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.307 3.175 1.465 1.00 0.00 H new ATOM 1017 N LYS A 64 -8.989 3.082 0.248 1.00 0.00 N ATOM 1018 CA LYS A 64 -10.388 3.402 0.580 1.00 0.00 C ATOM 1019 C LYS A 64 -11.309 2.649 -0.358 1.00 0.00 C ATOM 1020 O LYS A 64 -12.415 2.277 -0.004 1.00 0.00 O ATOM 1021 CB LYS A 64 -10.613 4.915 0.407 1.00 0.00 C ATOM 1022 CG LYS A 64 -12.009 5.272 0.920 1.00 0.00 C ATOM 1023 CD LYS A 64 -12.232 6.794 0.795 1.00 0.00 C ATOM 1024 CE LYS A 64 -11.336 7.553 1.798 1.00 0.00 C ATOM 1025 NZ LYS A 64 -10.006 7.841 1.195 1.00 0.00 N ATOM 0 H LYS A 64 -8.457 3.834 -0.190 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.599 3.113 1.610 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.856 5.474 0.957 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.515 5.193 -0.642 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.766 4.735 0.348 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -12.116 4.963 1.960 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.008 7.119 -0.221 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.279 7.031 0.981 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -11.818 8.485 2.092 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.210 6.960 2.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -9.268 7.335 1.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -9.998 7.525 0.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -9.821 8.864 1.234 1.00 0.00 H new ATOM 1039 N ALA A 65 -10.831 2.427 -1.555 1.00 0.00 N ATOM 1040 CA ALA A 65 -11.647 1.703 -2.531 1.00 0.00 C ATOM 1041 C ALA A 65 -11.667 0.243 -2.183 1.00 0.00 C ATOM 1042 O ALA A 65 -12.646 -0.438 -2.387 1.00 0.00 O ATOM 1043 CB ALA A 65 -11.029 1.883 -3.929 1.00 0.00 C ATOM 0 H ALA A 65 -9.911 2.721 -1.884 1.00 0.00 H new ATOM 0 HA ALA A 65 -12.665 2.092 -2.521 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.630 1.347 -4.664 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.005 2.943 -4.183 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -10.014 1.487 -3.932 1.00 0.00 H new ATOM 1049 N ASP A 66 -10.580 -0.211 -1.649 1.00 0.00 N ATOM 1050 CA ASP A 66 -10.494 -1.628 -1.268 1.00 0.00 C ATOM 1051 C ASP A 66 -11.339 -1.871 -0.041 1.00 0.00 C ATOM 1052 O ASP A 66 -11.899 -2.935 0.130 1.00 0.00 O ATOM 1053 CB ASP A 66 -9.029 -1.962 -0.942 1.00 0.00 C ATOM 1054 CG ASP A 66 -8.873 -3.477 -0.797 1.00 0.00 C ATOM 1055 OD1 ASP A 66 -9.102 -3.941 0.308 1.00 0.00 O ATOM 1056 OD2 ASP A 66 -8.532 -4.084 -1.797 1.00 0.00 O ATOM 0 H ASP A 66 -9.745 0.344 -1.460 1.00 0.00 H new ATOM 0 HA ASP A 66 -10.851 -2.254 -2.086 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.376 -1.592 -1.732 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.728 -1.464 -0.020 1.00 0.00 H new ATOM 1061 N LYS A 67 -11.406 -0.879 0.808 1.00 0.00 N ATOM 1062 CA LYS A 67 -12.210 -1.036 2.024 1.00 0.00 C ATOM 1063 C LYS A 67 -13.635 -1.392 1.645 1.00 0.00 C ATOM 1064 O LYS A 67 -14.279 -2.179 2.310 1.00 0.00 O ATOM 1065 CB LYS A 67 -12.205 0.293 2.801 1.00 0.00 C ATOM 1066 CG LYS A 67 -13.132 0.173 4.011 1.00 0.00 C ATOM 1067 CD LYS A 67 -12.872 1.345 4.969 1.00 0.00 C ATOM 1068 CE LYS A 67 -13.006 2.672 4.205 1.00 0.00 C ATOM 1069 NZ LYS A 67 -13.221 3.800 5.152 1.00 0.00 N ATOM 0 H LYS A 67 -10.938 0.021 0.701 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.792 -1.829 2.644 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.193 0.534 3.126 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -12.535 1.107 2.155 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.173 0.177 3.688 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.961 -0.774 4.522 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -13.581 1.316 5.796 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.875 1.261 5.401 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -12.107 2.851 3.615 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -13.840 2.613 3.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -13.309 4.689 4.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -14.091 3.635 5.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.413 3.866 5.803 1.00 0.00 H new ATOM 1083 N ALA A 68 -14.115 -0.799 0.572 1.00 0.00 N ATOM 1084 CA ALA A 68 -15.499 -1.102 0.143 1.00 0.00 C ATOM 1085 C ALA A 68 -15.581 -2.487 -0.485 1.00 0.00 C ATOM 1086 O ALA A 68 -16.598 -3.150 -0.406 1.00 0.00 O ATOM 1087 CB ALA A 68 -15.935 -0.054 -0.896 1.00 0.00 C ATOM 0 H ALA A 68 -13.609 -0.131 -0.009 1.00 0.00 H new ATOM 0 HA ALA A 68 -16.152 -1.076 1.015 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -16.954 -0.266 -1.221 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -15.896 0.939 -0.449 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -15.265 -0.093 -1.755 1.00 0.00 H new ATOM 1093 N ARG A 69 -14.512 -2.901 -1.098 1.00 0.00 N ATOM 1094 CA ARG A 69 -14.509 -4.245 -1.736 1.00 0.00 C ATOM 1095 C ARG A 69 -14.473 -5.338 -0.675 1.00 0.00 C ATOM 1096 O ARG A 69 -14.957 -6.429 -0.890 1.00 0.00 O ATOM 1097 CB ARG A 69 -13.245 -4.383 -2.611 1.00 0.00 C ATOM 1098 CG ARG A 69 -13.359 -3.471 -3.845 1.00 0.00 C ATOM 1099 CD ARG A 69 -14.513 -3.945 -4.756 1.00 0.00 C ATOM 1100 NE ARG A 69 -15.729 -3.165 -4.414 1.00 0.00 N ATOM 1101 CZ ARG A 69 -16.861 -3.447 -5.002 1.00 0.00 C ATOM 1102 NH1 ARG A 69 -16.891 -4.411 -5.883 1.00 0.00 N ATOM 1103 NH2 ARG A 69 -17.923 -2.759 -4.688 1.00 0.00 N ATOM 0 H ARG A 69 -13.644 -2.372 -1.186 1.00 0.00 H new ATOM 0 HA ARG A 69 -15.413 -4.349 -2.336 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -12.361 -4.117 -2.032 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -13.121 -5.420 -2.924 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -13.534 -2.442 -3.531 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -12.421 -3.480 -4.400 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -14.252 -3.801 -5.805 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -14.694 -5.011 -4.616 1.00 0.00 H new ATOM 0 HE ARG A 69 -15.681 -2.414 -3.725 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -16.040 -4.929 -6.101 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -17.766 -4.646 -6.353 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -17.861 -2.015 -3.993 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -18.815 -2.965 -5.137 1.00 0.00 H new ATOM 1117 N TYR A 70 -13.896 -5.016 0.456 1.00 0.00 N ATOM 1118 CA TYR A 70 -13.810 -6.018 1.555 1.00 0.00 C ATOM 1119 C TYR A 70 -15.108 -6.095 2.356 1.00 0.00 C ATOM 1120 O TYR A 70 -15.576 -7.165 2.664 1.00 0.00 O ATOM 1121 CB TYR A 70 -12.671 -5.587 2.510 1.00 0.00 C ATOM 1122 CG TYR A 70 -12.617 -6.544 3.714 1.00 0.00 C ATOM 1123 CD1 TYR A 70 -13.515 -6.415 4.756 1.00 0.00 C ATOM 1124 CD2 TYR A 70 -11.683 -7.559 3.763 1.00 0.00 C ATOM 1125 CE1 TYR A 70 -13.482 -7.288 5.823 1.00 0.00 C ATOM 1126 CE2 TYR A 70 -11.652 -8.432 4.832 1.00 0.00 C ATOM 1127 CZ TYR A 70 -12.550 -8.303 5.870 1.00 0.00 C ATOM 1128 OH TYR A 70 -12.522 -9.178 6.936 1.00 0.00 O ATOM 0 H TYR A 70 -13.483 -4.106 0.662 1.00 0.00 H new ATOM 0 HA TYR A 70 -13.623 -6.998 1.116 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -11.717 -5.596 1.982 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -12.836 -4.565 2.852 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -14.249 -5.623 4.735 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -10.971 -7.671 2.959 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -14.192 -7.176 6.629 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -10.917 -9.223 4.855 1.00 0.00 H new ATOM 0 HH TYR A 70 -11.803 -9.831 6.805 1.00 0.00 H new ATOM 1138 N GLU A 71 -15.676 -4.961 2.667 1.00 0.00 N ATOM 1139 CA GLU A 71 -16.933 -4.971 3.447 1.00 0.00 C ATOM 1140 C GLU A 71 -18.136 -5.410 2.621 1.00 0.00 C ATOM 1141 O GLU A 71 -18.824 -6.347 2.978 1.00 0.00 O ATOM 1142 CB GLU A 71 -17.188 -3.545 3.955 1.00 0.00 C ATOM 1143 CG GLU A 71 -16.127 -3.180 4.992 1.00 0.00 C ATOM 1144 CD GLU A 71 -16.437 -3.899 6.310 1.00 0.00 C ATOM 1145 OE1 GLU A 71 -17.418 -3.509 6.918 1.00 0.00 O ATOM 1146 OE2 GLU A 71 -15.672 -4.793 6.633 1.00 0.00 O ATOM 0 H GLU A 71 -15.323 -4.038 2.414 1.00 0.00 H new ATOM 0 HA GLU A 71 -16.816 -5.686 4.262 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -17.158 -2.840 3.124 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -18.182 -3.476 4.396 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -15.138 -3.465 4.633 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -16.111 -2.101 5.148 1.00 0.00 H new ATOM 1153 N ARG A 72 -18.372 -4.725 1.539 1.00 0.00 N ATOM 1154 CA ARG A 72 -19.534 -5.086 0.674 1.00 0.00 C ATOM 1155 C ARG A 72 -19.555 -6.568 0.322 1.00 0.00 C ATOM 1156 O ARG A 72 -20.611 -7.138 0.115 1.00 0.00 O ATOM 1157 CB ARG A 72 -19.450 -4.275 -0.624 1.00 0.00 C ATOM 1158 CG ARG A 72 -20.803 -4.340 -1.333 1.00 0.00 C ATOM 1159 CD ARG A 72 -20.761 -3.459 -2.578 1.00 0.00 C ATOM 1160 NE ARG A 72 -22.149 -3.291 -3.098 1.00 0.00 N ATOM 1161 CZ ARG A 72 -22.332 -2.790 -4.290 1.00 0.00 C ATOM 1162 NH1 ARG A 72 -21.291 -2.449 -4.999 1.00 0.00 N ATOM 1163 NH2 ARG A 72 -23.551 -2.648 -4.732 1.00 0.00 N ATOM 0 H ARG A 72 -17.815 -3.934 1.215 1.00 0.00 H new ATOM 0 HA ARG A 72 -20.445 -4.861 1.228 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -19.187 -3.240 -0.406 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -18.667 -4.674 -1.268 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -21.033 -5.369 -1.609 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -21.595 -4.005 -0.663 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -20.328 -2.488 -2.338 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -20.126 -3.912 -3.339 1.00 0.00 H new ATOM 0 HE ARG A 72 -22.949 -3.565 -2.527 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -20.352 -2.575 -4.620 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -21.416 -2.056 -5.932 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -24.340 -2.926 -4.149 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -23.715 -2.259 -5.660 1.00 0.00 H new ATOM 1177 N GLU A 73 -18.401 -7.163 0.274 1.00 0.00 N ATOM 1178 CA GLU A 73 -18.328 -8.616 -0.067 1.00 0.00 C ATOM 1179 C GLU A 73 -18.587 -9.489 1.158 1.00 0.00 C ATOM 1180 O GLU A 73 -19.197 -10.531 1.058 1.00 0.00 O ATOM 1181 CB GLU A 73 -16.916 -8.914 -0.600 1.00 0.00 C ATOM 1182 CG GLU A 73 -16.804 -8.380 -2.032 1.00 0.00 C ATOM 1183 CD GLU A 73 -15.388 -8.630 -2.563 1.00 0.00 C ATOM 1184 OE1 GLU A 73 -14.875 -9.693 -2.257 1.00 0.00 O ATOM 1185 OE2 GLU A 73 -14.901 -7.742 -3.244 1.00 0.00 O ATOM 0 H GLU A 73 -17.504 -6.712 0.455 1.00 0.00 H new ATOM 0 HA GLU A 73 -19.090 -8.841 -0.813 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -16.166 -8.445 0.037 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -16.725 -9.987 -0.582 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -17.536 -8.872 -2.673 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -17.028 -7.313 -2.052 1.00 0.00 H new ATOM 1192 N MET A 74 -18.122 -9.048 2.294 1.00 0.00 N ATOM 1193 CA MET A 74 -18.340 -9.852 3.515 1.00 0.00 C ATOM 1194 C MET A 74 -19.831 -10.107 3.757 1.00 0.00 C ATOM 1195 O MET A 74 -20.194 -10.837 4.658 1.00 0.00 O ATOM 1196 CB MET A 74 -17.728 -9.092 4.733 1.00 0.00 C ATOM 1197 CG MET A 74 -16.264 -9.533 4.945 1.00 0.00 C ATOM 1198 SD MET A 74 -15.938 -11.316 5.152 1.00 0.00 S ATOM 1199 CE MET A 74 -15.123 -11.625 3.552 1.00 0.00 C ATOM 0 H MET A 74 -17.608 -8.177 2.423 1.00 0.00 H new ATOM 0 HA MET A 74 -17.854 -10.820 3.389 1.00 0.00 H new ATOM 0 HB2 MET A 74 -17.772 -8.017 4.561 1.00 0.00 H new ATOM 0 HB3 MET A 74 -18.312 -9.295 5.631 1.00 0.00 H new ATOM 0 HG2 MET A 74 -15.681 -9.182 4.093 1.00 0.00 H new ATOM 0 HG3 MET A 74 -15.883 -9.018 5.826 1.00 0.00 H new ATOM 0 HE1 MET A 74 -15.329 -12.646 3.230 1.00 0.00 H new ATOM 0 HE2 MET A 74 -15.505 -10.926 2.808 1.00 0.00 H new ATOM 0 HE3 MET A 74 -14.047 -11.488 3.659 1.00 0.00 H new ATOM 1209 N LYS A 75 -20.670 -9.501 2.956 1.00 0.00 N ATOM 1210 CA LYS A 75 -22.123 -9.713 3.138 1.00 0.00 C ATOM 1211 C LYS A 75 -22.431 -11.203 3.063 1.00 0.00 C ATOM 1212 O LYS A 75 -23.425 -11.675 3.574 1.00 0.00 O ATOM 1213 CB LYS A 75 -22.863 -8.978 1.997 1.00 0.00 C ATOM 1214 CG LYS A 75 -24.363 -8.804 2.354 1.00 0.00 C ATOM 1215 CD LYS A 75 -24.568 -7.523 3.190 1.00 0.00 C ATOM 1216 CE LYS A 75 -24.233 -6.267 2.347 1.00 0.00 C ATOM 1217 NZ LYS A 75 -25.190 -5.168 2.661 1.00 0.00 N ATOM 0 H LYS A 75 -20.408 -8.876 2.193 1.00 0.00 H new ATOM 0 HA LYS A 75 -22.444 -9.330 4.107 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -22.407 -8.003 1.827 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -22.766 -9.541 1.069 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -24.957 -8.750 1.442 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -24.714 -9.672 2.913 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -25.599 -7.470 3.539 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -23.933 -7.554 4.076 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -23.213 -5.942 2.554 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -24.281 -6.509 1.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -24.956 -4.331 2.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -26.158 -5.478 2.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -25.124 -4.928 3.671 1.00 0.00 H new ATOM 1231 N THR A 76 -21.543 -11.913 2.438 1.00 0.00 N ATOM 1232 CA THR A 76 -21.730 -13.372 2.295 1.00 0.00 C ATOM 1233 C THR A 76 -20.405 -14.031 1.852 1.00 0.00 C ATOM 1234 O THR A 76 -20.345 -15.216 1.600 1.00 0.00 O ATOM 1235 CB THR A 76 -22.844 -13.601 1.231 1.00 0.00 C ATOM 1236 OG1 THR A 76 -22.881 -14.991 0.985 1.00 0.00 O ATOM 1237 CG2 THR A 76 -22.471 -12.969 -0.128 1.00 0.00 C ATOM 0 H THR A 76 -20.691 -11.541 2.018 1.00 0.00 H new ATOM 0 HA THR A 76 -22.022 -13.821 3.244 1.00 0.00 H new ATOM 0 HB THR A 76 -23.775 -13.173 1.602 1.00 0.00 H new ATOM 0 HG1 THR A 76 -22.091 -15.415 1.382 1.00 0.00 H new ATOM 0 HG21 THR A 76 -23.272 -13.149 -0.845 1.00 0.00 H new ATOM 0 HG22 THR A 76 -22.330 -11.895 -0.004 1.00 0.00 H new ATOM 0 HG23 THR A 76 -21.547 -13.416 -0.496 1.00 0.00 H new ATOM 1245 N TYR A 77 -19.364 -13.217 1.781 1.00 0.00 N ATOM 1246 CA TYR A 77 -18.026 -13.728 1.366 1.00 0.00 C ATOM 1247 C TYR A 77 -18.107 -14.494 0.035 1.00 0.00 C ATOM 1248 O TYR A 77 -18.260 -15.706 0.014 1.00 0.00 O ATOM 1249 CB TYR A 77 -17.459 -14.656 2.496 1.00 0.00 C ATOM 1250 CG TYR A 77 -16.323 -15.532 1.936 1.00 0.00 C ATOM 1251 CD1 TYR A 77 -15.336 -14.978 1.150 1.00 0.00 C ATOM 1252 CD2 TYR A 77 -16.321 -16.897 2.147 1.00 0.00 C ATOM 1253 CE1 TYR A 77 -14.370 -15.771 0.580 1.00 0.00 C ATOM 1254 CE2 TYR A 77 -15.352 -17.690 1.576 1.00 0.00 C ATOM 1255 CZ TYR A 77 -14.368 -17.135 0.789 1.00 0.00 C ATOM 1256 OH TYR A 77 -13.399 -17.931 0.214 1.00 0.00 O ATOM 0 H TYR A 77 -19.395 -12.220 1.995 1.00 0.00 H new ATOM 0 HA TYR A 77 -17.358 -12.880 1.215 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -17.089 -14.051 3.324 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -18.254 -15.287 2.893 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -15.322 -13.911 0.981 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -17.085 -17.345 2.765 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -13.605 -15.323 -0.037 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -15.363 -18.756 1.747 1.00 0.00 H new ATOM 0 HH TYR A 77 -12.537 -17.762 0.648 1.00 0.00 H new ATOM 1266 N ILE A 78 -17.997 -13.753 -1.057 1.00 0.00 N ATOM 1267 CA ILE A 78 -18.057 -14.389 -2.416 1.00 0.00 C ATOM 1268 C ILE A 78 -16.620 -14.629 -2.980 1.00 0.00 C ATOM 1269 O ILE A 78 -15.888 -13.678 -3.176 1.00 0.00 O ATOM 1270 CB ILE A 78 -18.764 -13.414 -3.381 1.00 0.00 C ATOM 1271 CG1 ILE A 78 -20.124 -12.930 -2.791 1.00 0.00 C ATOM 1272 CG2 ILE A 78 -19.042 -14.178 -4.700 1.00 0.00 C ATOM 1273 CD1 ILE A 78 -19.931 -11.614 -2.006 1.00 0.00 C ATOM 0 H ILE A 78 -17.869 -12.741 -1.060 1.00 0.00 H new ATOM 0 HA ILE A 78 -18.585 -15.339 -2.330 1.00 0.00 H new ATOM 0 HB ILE A 78 -18.129 -12.543 -3.544 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -20.844 -12.779 -3.595 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -20.536 -13.696 -2.134 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -19.543 -13.515 -5.406 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -18.100 -14.519 -5.128 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -19.680 -15.038 -4.495 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -20.889 -11.289 -1.600 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -19.228 -11.777 -1.189 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -19.540 -10.846 -2.674 1.00 0.00 H new ATOM 1285 N PRO A 79 -16.217 -15.902 -3.215 1.00 0.00 N ATOM 1286 CA PRO A 79 -14.870 -16.177 -3.753 1.00 0.00 C ATOM 1287 C PRO A 79 -14.680 -15.443 -5.110 1.00 0.00 C ATOM 1288 O PRO A 79 -15.588 -14.783 -5.578 1.00 0.00 O ATOM 1289 CB PRO A 79 -14.831 -17.733 -3.934 1.00 0.00 C ATOM 1290 CG PRO A 79 -16.139 -18.309 -3.301 1.00 0.00 C ATOM 1291 CD PRO A 79 -17.032 -17.103 -2.927 1.00 0.00 C ATOM 0 HA PRO A 79 -14.070 -15.827 -3.101 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -14.768 -17.995 -4.990 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -13.951 -18.154 -3.448 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -16.652 -18.964 -4.005 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -15.909 -18.907 -2.419 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -17.953 -17.101 -3.510 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -17.320 -17.139 -1.876 1.00 0.00 H new ATOM 1299 N PRO A 80 -13.489 -15.560 -5.714 1.00 0.00 N ATOM 1300 CA PRO A 80 -13.224 -14.901 -6.994 1.00 0.00 C ATOM 1301 C PRO A 80 -14.154 -15.409 -8.103 1.00 0.00 C ATOM 1302 O PRO A 80 -15.157 -16.047 -7.846 1.00 0.00 O ATOM 1303 CB PRO A 80 -11.732 -15.240 -7.329 1.00 0.00 C ATOM 1304 CG PRO A 80 -11.171 -16.071 -6.128 1.00 0.00 C ATOM 1305 CD PRO A 80 -12.351 -16.313 -5.150 1.00 0.00 C ATOM 0 HA PRO A 80 -13.402 -13.828 -6.927 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -11.665 -15.809 -8.256 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -11.152 -14.328 -7.471 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -10.758 -17.018 -6.475 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -10.363 -15.533 -5.631 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -12.584 -17.375 -5.070 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -12.108 -15.964 -4.147 1.00 0.00 H new ATOM 1313 N LYS A 81 -13.768 -15.122 -9.318 1.00 0.00 N ATOM 1314 CA LYS A 81 -14.573 -15.546 -10.499 1.00 0.00 C ATOM 1315 C LYS A 81 -13.664 -15.866 -11.676 1.00 0.00 C ATOM 1316 O LYS A 81 -13.782 -15.278 -12.733 1.00 0.00 O ATOM 1317 CB LYS A 81 -15.501 -14.385 -10.898 1.00 0.00 C ATOM 1318 CG LYS A 81 -16.497 -14.113 -9.765 1.00 0.00 C ATOM 1319 CD LYS A 81 -17.576 -13.146 -10.268 1.00 0.00 C ATOM 1320 CE LYS A 81 -18.445 -12.692 -9.089 1.00 0.00 C ATOM 1321 NZ LYS A 81 -17.705 -11.720 -8.232 1.00 0.00 N ATOM 0 H LYS A 81 -12.918 -14.605 -9.544 1.00 0.00 H new ATOM 0 HA LYS A 81 -15.147 -16.436 -10.240 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -14.914 -13.490 -11.103 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -16.036 -14.632 -11.815 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -16.953 -15.046 -9.433 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -15.981 -13.686 -8.905 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -17.112 -12.283 -10.745 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -18.194 -13.634 -11.022 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -19.361 -12.233 -9.461 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -18.741 -13.557 -8.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -18.374 -11.235 -7.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -16.997 -12.227 -7.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -17.228 -11.019 -8.834 1.00 0.00 H new ATOM 1335 N GLY A 82 -12.770 -16.793 -11.462 1.00 0.00 N ATOM 1336 CA GLY A 82 -11.825 -17.188 -12.552 1.00 0.00 C ATOM 1337 C GLY A 82 -11.310 -18.606 -12.300 1.00 0.00 C ATOM 1338 O GLY A 82 -10.150 -18.804 -11.990 1.00 0.00 O ATOM 0 H GLY A 82 -12.651 -17.295 -10.582 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -12.328 -17.140 -13.518 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.989 -16.489 -12.593 1.00 0.00 H new ATOM 1342 N GLU A 83 -12.188 -19.565 -12.438 1.00 0.00 N ATOM 1343 CA GLU A 83 -11.777 -20.974 -12.211 1.00 0.00 C ATOM 1344 C GLU A 83 -12.786 -21.941 -12.823 1.00 0.00 C ATOM 1345 O GLU A 83 -12.346 -22.746 -13.627 1.00 0.00 O ATOM 1346 CB GLU A 83 -11.718 -21.216 -10.692 1.00 0.00 C ATOM 1347 CG GLU A 83 -10.981 -22.529 -10.415 1.00 0.00 C ATOM 1348 CD GLU A 83 -10.683 -22.633 -8.917 1.00 0.00 C ATOM 1349 OE1 GLU A 83 -9.846 -21.862 -8.478 1.00 0.00 O ATOM 1350 OE2 GLU A 83 -11.308 -23.478 -8.298 1.00 0.00 O ATOM 1351 OXT GLU A 83 -13.944 -21.822 -12.452 1.00 0.00 O ATOM 0 H GLU A 83 -13.165 -19.431 -12.697 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.807 -21.144 -12.678 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.207 -20.388 -10.200 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.726 -21.258 -10.280 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -11.588 -23.375 -10.737 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.053 -22.567 -10.986 1.00 0.00 H new TER 1358 GLU A 83