USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 682 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 63 LYS NZ :NH3+ -159:sc= -0.0764 (180deg=-0.461) USER MOD Set 1.2: A 66 ASN : amide:sc= 0 K(o=-0.076,f=-0.72) USER MOD Single : A 1 SER N :NH3+ -152:sc= 0.0734 (180deg=0) USER MOD Single : A 1 SER OG : rot 45:sc= 0.169 USER MOD Single : A 2 LYS NZ :NH3+ -168:sc= -0.0139 (180deg=-0.19) USER MOD Single : A 4 LYS NZ :NH3+ -165:sc= -0.0151 (180deg=-0.202) USER MOD Single : A 6 SER OG : rot 59:sc= -0.545 USER MOD Single : A 8 LYS NZ :NH3+ -151:sc= -2.14! (180deg=-4!) USER MOD Single : A 11 LYS NZ :NH3+ -166:sc= -0.0501 (180deg=-0.284) USER MOD Single : A 14 TYR OH : rot -79:sc= 0.385 USER MOD Single : A 15 SER OG : rot -40:sc=0.000842 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -147:sc= 1.18 (180deg=0.49) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= -0.418 (180deg=-0.418) USER MOD Single : A 26 TYR OH : rot 30:sc= -0.38 USER MOD Single : A 28 HIS : no HD1:sc= -1.51 K(o=-1.5,f=-5.1!) USER MOD Single : A 32 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0156) USER MOD Single : A 33 MET CE :methyl 180:sc= -0.88 (180deg=-0.88) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.00497 USER MOD Single : A 39 LYS NZ :NH3+ -171:sc= -0.0228 (180deg=-0.159) USER MOD Single : A 40 SER OG : rot 180:sc= 0.233 USER MOD Single : A 42 SER OG : rot 107:sc= 0.161 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 1.19 K(o=1.2,f=-0.00043) USER MOD Single : A 49 HIS : no HD1:sc= -0.457 X(o=-0.46,f=-0.17) USER MOD Single : A 52 HIS : no HD1:sc= -0.445 X(o=-0.44,f=-0.63) USER MOD Single : A 54 LYS NZ :NH3+ -167:sc= 1.01 (180deg=0.396) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 175:sc= -0.16 USER MOD Single : A 59 LYS NZ :NH3+ -170:sc=-0.00562 (180deg=-0.115) USER MOD Single : A 65 TYR OH : rot 22:sc= 1.23 USER MOD Single : A 69 ASN : amide:sc= -0.18 K(o=-0.18,f=-1.7!) USER MOD Single : A 71 LYS NZ :NH3+ -164:sc= 1.28 (180deg=1.2) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 16.752 2.161 -14.185 1.00 40.44 N ATOM 2 CA SER A 1 15.465 2.117 -13.554 1.00 74.21 C ATOM 3 C SER A 1 15.440 1.050 -12.443 1.00 52.13 C ATOM 4 O SER A 1 15.347 -0.164 -12.708 1.00 22.40 O ATOM 5 CB SER A 1 14.388 1.886 -14.614 1.00 21.23 C ATOM 6 OG SER A 1 14.713 0.768 -15.449 1.00 62.10 O ATOM 0 H1 SER A 1 16.924 3.117 -14.556 1.00 40.44 H new ATOM 0 H2 SER A 1 17.488 1.921 -13.490 1.00 40.44 H new ATOM 0 H3 SER A 1 16.779 1.477 -14.968 1.00 40.44 H new ATOM 0 HA SER A 1 15.258 3.071 -13.070 1.00 74.21 H new ATOM 0 HB2 SER A 1 13.428 1.713 -14.128 1.00 21.23 H new ATOM 0 HB3 SER A 1 14.279 2.781 -15.227 1.00 21.23 H new ATOM 0 HG SER A 1 15.015 0.021 -14.892 1.00 62.10 H new ATOM 12 N LYS A 2 15.559 1.506 -11.214 1.00 71.05 N ATOM 13 CA LYS A 2 15.639 0.625 -10.061 1.00 2.25 C ATOM 14 C LYS A 2 14.271 0.420 -9.419 1.00 23.42 C ATOM 15 O LYS A 2 13.267 0.978 -9.866 1.00 42.13 O ATOM 16 CB LYS A 2 16.584 1.223 -9.013 1.00 61.43 C ATOM 17 CG LYS A 2 16.102 2.546 -8.442 1.00 63.54 C ATOM 18 CD LYS A 2 17.023 3.070 -7.364 1.00 61.14 C ATOM 19 CE LYS A 2 16.474 4.348 -6.755 1.00 62.14 C ATOM 20 NZ LYS A 2 16.298 5.422 -7.764 1.00 35.21 N ATOM 0 H LYS A 2 15.603 2.498 -10.983 1.00 71.05 H new ATOM 0 HA LYS A 2 16.014 -0.338 -10.409 1.00 2.25 H new ATOM 0 HB2 LYS A 2 16.708 0.509 -8.199 1.00 61.43 H new ATOM 0 HB3 LYS A 2 17.566 1.367 -9.462 1.00 61.43 H new ATOM 0 HG2 LYS A 2 16.028 3.281 -9.244 1.00 63.54 H new ATOM 0 HG3 LYS A 2 15.100 2.420 -8.032 1.00 63.54 H new ATOM 0 HD2 LYS A 2 17.146 2.316 -6.587 1.00 61.14 H new ATOM 0 HD3 LYS A 2 18.011 3.258 -7.784 1.00 61.14 H new ATOM 0 HE2 LYS A 2 15.516 4.139 -6.279 1.00 62.14 H new ATOM 0 HE3 LYS A 2 17.149 4.694 -5.973 1.00 62.14 H new ATOM 0 HZ1 LYS A 2 16.119 6.326 -7.281 1.00 35.21 H new ATOM 0 HZ2 LYS A 2 17.160 5.502 -8.340 1.00 35.21 H new ATOM 0 HZ3 LYS A 2 15.491 5.192 -8.379 1.00 35.21 H new ATOM 34 N CYS A 3 14.248 -0.384 -8.372 1.00 55.13 N ATOM 35 CA CYS A 3 13.057 -0.605 -7.573 1.00 13.14 C ATOM 36 C CYS A 3 12.965 0.539 -6.550 1.00 71.14 C ATOM 37 O CYS A 3 13.700 1.521 -6.666 1.00 43.45 O ATOM 38 CB CYS A 3 13.190 -1.940 -6.820 1.00 64.14 C ATOM 39 SG CYS A 3 13.498 -3.393 -7.866 1.00 72.15 S ATOM 0 H CYS A 3 15.063 -0.906 -8.050 1.00 55.13 H new ATOM 0 HA CYS A 3 12.170 -0.635 -8.206 1.00 13.14 H new ATOM 0 HB2 CYS A 3 14.003 -1.852 -6.099 1.00 64.14 H new ATOM 0 HB3 CYS A 3 12.276 -2.110 -6.250 1.00 64.14 H new ATOM 44 N LYS A 4 12.071 0.408 -5.555 1.00 20.14 N ATOM 45 CA LYS A 4 11.933 1.397 -4.459 1.00 21.45 C ATOM 46 C LYS A 4 11.272 2.692 -4.941 1.00 32.01 C ATOM 47 O LYS A 4 11.634 3.253 -5.973 1.00 62.32 O ATOM 48 CB LYS A 4 13.297 1.734 -3.746 1.00 10.21 C ATOM 49 CG LYS A 4 14.007 0.599 -2.963 1.00 74.33 C ATOM 50 CD LYS A 4 14.377 -0.598 -3.830 1.00 61.44 C ATOM 51 CE LYS A 4 15.224 -1.616 -3.084 1.00 21.03 C ATOM 52 NZ LYS A 4 16.562 -1.084 -2.766 1.00 55.04 N ATOM 0 H LYS A 4 11.426 -0.379 -5.483 1.00 20.14 H new ATOM 0 HA LYS A 4 11.288 0.917 -3.723 1.00 21.45 H new ATOM 0 HB2 LYS A 4 13.989 2.101 -4.504 1.00 10.21 H new ATOM 0 HB3 LYS A 4 13.118 2.557 -3.054 1.00 10.21 H new ATOM 0 HG2 LYS A 4 14.911 0.997 -2.502 1.00 74.33 H new ATOM 0 HG3 LYS A 4 13.357 0.265 -2.154 1.00 74.33 H new ATOM 0 HD2 LYS A 4 13.467 -1.079 -4.187 1.00 61.44 H new ATOM 0 HD3 LYS A 4 14.921 -0.252 -4.709 1.00 61.44 H new ATOM 0 HE2 LYS A 4 14.719 -1.904 -2.162 1.00 21.03 H new ATOM 0 HE3 LYS A 4 15.325 -2.518 -3.688 1.00 21.03 H new ATOM 0 HZ1 LYS A 4 17.191 -1.866 -2.493 1.00 55.04 H new ATOM 0 HZ2 LYS A 4 16.951 -0.602 -3.601 1.00 55.04 H new ATOM 0 HZ3 LYS A 4 16.489 -0.408 -1.979 1.00 55.04 H new ATOM 66 N CYS A 5 10.295 3.138 -4.217 1.00 74.12 N ATOM 67 CA CYS A 5 9.631 4.393 -4.535 1.00 25.14 C ATOM 68 C CYS A 5 9.862 5.339 -3.375 1.00 2.24 C ATOM 69 O CYS A 5 10.116 6.532 -3.543 1.00 60.11 O ATOM 70 CB CYS A 5 8.123 4.153 -4.662 1.00 33.53 C ATOM 71 SG CYS A 5 7.691 2.644 -5.572 1.00 3.45 S ATOM 0 H CYS A 5 9.927 2.660 -3.395 1.00 74.12 H new ATOM 0 HA CYS A 5 10.019 4.801 -5.468 1.00 25.14 H new ATOM 0 HB2 CYS A 5 7.688 4.100 -3.664 1.00 33.53 H new ATOM 0 HB3 CYS A 5 7.670 5.009 -5.162 1.00 33.53 H new ATOM 76 N SER A 6 9.793 4.767 -2.197 1.00 4.42 N ATOM 77 CA SER A 6 9.898 5.471 -0.962 1.00 50.01 C ATOM 78 C SER A 6 10.913 4.776 -0.036 1.00 33.21 C ATOM 79 O SER A 6 10.683 4.635 1.167 1.00 60.30 O ATOM 80 CB SER A 6 8.497 5.500 -0.362 1.00 61.32 C ATOM 81 OG SER A 6 7.886 4.207 -0.442 1.00 20.10 O ATOM 0 H SER A 6 9.657 3.763 -2.079 1.00 4.42 H new ATOM 0 HA SER A 6 10.264 6.488 -1.103 1.00 50.01 H new ATOM 0 HB2 SER A 6 8.548 5.820 0.679 1.00 61.32 H new ATOM 0 HB3 SER A 6 7.885 6.231 -0.890 1.00 61.32 H new ATOM 0 HG SER A 6 8.437 3.555 0.039 1.00 20.10 H new ATOM 87 N ARG A 7 12.061 4.396 -0.623 1.00 34.30 N ATOM 88 CA ARG A 7 13.196 3.718 0.066 1.00 54.12 C ATOM 89 C ARG A 7 12.842 2.318 0.562 1.00 24.10 C ATOM 90 O ARG A 7 13.390 1.320 0.090 1.00 64.01 O ATOM 91 CB ARG A 7 13.824 4.545 1.236 1.00 13.53 C ATOM 92 CG ARG A 7 14.453 5.888 0.855 1.00 53.01 C ATOM 93 CD ARG A 7 13.413 6.934 0.517 1.00 15.22 C ATOM 94 NE ARG A 7 14.012 8.189 0.084 1.00 34.22 N ATOM 95 CZ ARG A 7 13.319 9.238 -0.364 1.00 43.45 C ATOM 96 NH1 ARG A 7 11.987 9.255 -0.275 1.00 33.34 N ATOM 97 NH2 ARG A 7 13.956 10.291 -0.856 1.00 52.11 N ATOM 0 H ARG A 7 12.239 4.551 -1.615 1.00 34.30 H new ATOM 0 HA ARG A 7 13.952 3.633 -0.714 1.00 54.12 H new ATOM 0 HB2 ARG A 7 13.049 4.729 1.980 1.00 13.53 H new ATOM 0 HB3 ARG A 7 14.588 3.933 1.716 1.00 13.53 H new ATOM 0 HG2 ARG A 7 15.069 6.245 1.680 1.00 53.01 H new ATOM 0 HG3 ARG A 7 15.115 5.747 0.000 1.00 53.01 H new ATOM 0 HD2 ARG A 7 12.761 6.554 -0.270 1.00 15.22 H new ATOM 0 HD3 ARG A 7 12.786 7.115 1.390 1.00 15.22 H new ATOM 0 HE ARG A 7 15.028 8.272 0.126 1.00 34.22 H new ATOM 0 HH11 ARG A 7 11.493 8.463 0.137 1.00 33.34 H new ATOM 0 HH12 ARG A 7 11.463 10.060 -0.619 1.00 33.34 H new ATOM 0 HH21 ARG A 7 14.975 10.299 -0.892 1.00 52.11 H new ATOM 0 HH22 ARG A 7 13.427 11.093 -1.199 1.00 52.11 H new ATOM 111 N LYS A 8 11.951 2.253 1.508 1.00 43.24 N ATOM 112 CA LYS A 8 11.552 1.002 2.104 1.00 23.12 C ATOM 113 C LYS A 8 10.046 0.930 2.158 1.00 34.01 C ATOM 114 O LYS A 8 9.439 -0.069 1.782 1.00 40.35 O ATOM 115 CB LYS A 8 12.097 0.920 3.526 1.00 13.15 C ATOM 116 CG LYS A 8 11.817 -0.399 4.218 1.00 23.42 C ATOM 117 CD LYS A 8 12.128 -0.358 5.714 1.00 74.34 C ATOM 118 CE LYS A 8 11.092 0.459 6.525 1.00 55.12 C ATOM 119 NZ LYS A 8 11.072 1.926 6.249 1.00 40.12 N ATOM 0 H LYS A 8 11.475 3.069 1.893 1.00 43.24 H new ATOM 0 HA LYS A 8 11.944 0.178 1.507 1.00 23.12 H new ATOM 0 HB2 LYS A 8 13.174 1.084 3.501 1.00 13.15 H new ATOM 0 HB3 LYS A 8 11.665 1.728 4.117 1.00 13.15 H new ATOM 0 HG2 LYS A 8 10.769 -0.664 4.076 1.00 23.42 H new ATOM 0 HG3 LYS A 8 12.411 -1.184 3.749 1.00 23.42 H new ATOM 0 HD2 LYS A 8 12.162 -1.377 6.100 1.00 74.34 H new ATOM 0 HD3 LYS A 8 13.118 0.073 5.862 1.00 74.34 H new ATOM 0 HE2 LYS A 8 10.100 0.056 6.324 1.00 55.12 H new ATOM 0 HE3 LYS A 8 11.288 0.309 7.587 1.00 55.12 H new ATOM 0 HZ1 LYS A 8 10.760 2.435 7.100 1.00 40.12 H new ATOM 0 HZ2 LYS A 8 12.027 2.243 5.987 1.00 40.12 H new ATOM 0 HZ3 LYS A 8 10.415 2.123 5.467 1.00 40.12 H new ATOM 133 N GLY A 9 9.457 1.990 2.620 1.00 14.41 N ATOM 134 CA GLY A 9 8.053 2.041 2.796 1.00 11.51 C ATOM 135 C GLY A 9 7.718 2.860 4.019 1.00 11.41 C ATOM 136 O GLY A 9 8.140 2.512 5.133 1.00 25.22 O ATOM 0 H GLY A 9 9.947 2.845 2.885 1.00 14.41 H new ATOM 0 HA2 GLY A 9 7.583 2.478 1.915 1.00 11.51 H new ATOM 0 HA3 GLY A 9 7.654 1.032 2.903 1.00 11.51 H new ATOM 140 N PRO A 10 7.011 3.970 3.843 1.00 44.11 N ATOM 141 CA PRO A 10 6.632 4.838 4.932 1.00 64.14 C ATOM 142 C PRO A 10 5.270 4.462 5.511 1.00 73.43 C ATOM 143 O PRO A 10 4.471 3.773 4.863 1.00 10.32 O ATOM 144 CB PRO A 10 6.556 6.199 4.256 1.00 40.33 C ATOM 145 CG PRO A 10 6.132 5.909 2.849 1.00 21.23 C ATOM 146 CD PRO A 10 6.519 4.479 2.554 1.00 23.12 C ATOM 0 HA PRO A 10 7.327 4.790 5.770 1.00 64.14 H new ATOM 0 HB2 PRO A 10 5.840 6.850 4.758 1.00 40.33 H new ATOM 0 HB3 PRO A 10 7.520 6.707 4.281 1.00 40.33 H new ATOM 0 HG2 PRO A 10 5.057 6.049 2.734 1.00 21.23 H new ATOM 0 HG3 PRO A 10 6.618 6.591 2.152 1.00 21.23 H new ATOM 0 HD2 PRO A 10 5.667 3.901 2.196 1.00 23.12 H new ATOM 0 HD3 PRO A 10 7.288 4.425 1.784 1.00 23.12 H new ATOM 154 N LYS A 11 5.010 4.896 6.726 1.00 2.02 N ATOM 155 CA LYS A 11 3.732 4.630 7.349 1.00 23.13 C ATOM 156 C LYS A 11 2.658 5.510 6.747 1.00 4.15 C ATOM 157 O LYS A 11 2.604 6.724 6.984 1.00 14.43 O ATOM 158 CB LYS A 11 3.757 4.787 8.886 1.00 24.42 C ATOM 159 CG LYS A 11 4.549 3.723 9.658 1.00 64.22 C ATOM 160 CD LYS A 11 6.039 3.763 9.371 1.00 61.55 C ATOM 161 CE LYS A 11 6.774 2.681 10.134 1.00 61.45 C ATOM 162 NZ LYS A 11 6.597 2.800 11.600 1.00 71.21 N ATOM 0 H LYS A 11 5.663 5.431 7.299 1.00 2.02 H new ATOM 0 HA LYS A 11 3.503 3.583 7.148 1.00 23.13 H new ATOM 0 HB2 LYS A 11 4.173 5.766 9.125 1.00 24.42 H new ATOM 0 HB3 LYS A 11 2.729 4.781 9.249 1.00 24.42 H new ATOM 0 HG2 LYS A 11 4.387 3.863 10.727 1.00 64.22 H new ATOM 0 HG3 LYS A 11 4.163 2.736 9.404 1.00 64.22 H new ATOM 0 HD2 LYS A 11 6.209 3.637 8.302 1.00 61.55 H new ATOM 0 HD3 LYS A 11 6.438 4.740 9.645 1.00 61.55 H new ATOM 0 HE2 LYS A 11 6.418 1.704 9.806 1.00 61.45 H new ATOM 0 HE3 LYS A 11 7.836 2.730 9.894 1.00 61.45 H new ATOM 0 HZ1 LYS A 11 7.295 2.199 12.084 1.00 71.21 H new ATOM 0 HZ2 LYS A 11 6.734 3.790 11.887 1.00 71.21 H new ATOM 0 HZ3 LYS A 11 5.637 2.494 11.860 1.00 71.21 H new ATOM 176 N ILE A 12 1.844 4.907 5.952 1.00 3.20 N ATOM 177 CA ILE A 12 0.742 5.559 5.316 1.00 70.22 C ATOM 178 C ILE A 12 -0.499 5.190 6.075 1.00 4.40 C ATOM 179 O ILE A 12 -0.534 4.162 6.718 1.00 32.42 O ATOM 180 CB ILE A 12 0.621 5.129 3.820 1.00 44.13 C ATOM 181 CG1 ILE A 12 1.969 5.337 3.125 1.00 20.44 C ATOM 182 CG2 ILE A 12 -0.461 5.948 3.104 1.00 24.13 C ATOM 183 CD1 ILE A 12 1.998 4.887 1.693 1.00 30.12 C ATOM 0 H ILE A 12 1.925 3.918 5.717 1.00 3.20 H new ATOM 0 HA ILE A 12 0.890 6.639 5.324 1.00 70.22 H new ATOM 0 HB ILE A 12 0.339 4.077 3.778 1.00 44.13 H new ATOM 0 HG12 ILE A 12 2.228 6.395 3.167 1.00 20.44 H new ATOM 0 HG13 ILE A 12 2.738 4.799 3.679 1.00 20.44 H new ATOM 0 HG21 ILE A 12 -0.528 5.631 2.063 1.00 24.13 H new ATOM 0 HG22 ILE A 12 -1.422 5.789 3.594 1.00 24.13 H new ATOM 0 HG23 ILE A 12 -0.203 7.006 3.146 1.00 24.13 H new ATOM 0 HD11 ILE A 12 2.988 5.069 1.274 1.00 30.12 H new ATOM 0 HD12 ILE A 12 1.773 3.822 1.642 1.00 30.12 H new ATOM 0 HD13 ILE A 12 1.255 5.443 1.122 1.00 30.12 H new ATOM 195 N ARG A 13 -1.443 6.057 6.120 1.00 5.02 N ATOM 196 CA ARG A 13 -2.703 5.721 6.721 1.00 54.30 C ATOM 197 C ARG A 13 -3.603 5.122 5.656 1.00 32.11 C ATOM 198 O ARG A 13 -3.403 5.361 4.462 1.00 52.30 O ATOM 199 CB ARG A 13 -3.346 6.945 7.322 1.00 64.32 C ATOM 200 CG ARG A 13 -3.565 8.027 6.312 1.00 74.43 C ATOM 201 CD ARG A 13 -4.221 9.264 6.865 1.00 42.00 C ATOM 202 NE ARG A 13 -4.357 10.224 5.780 1.00 42.15 N ATOM 203 CZ ARG A 13 -5.259 11.188 5.657 1.00 15.10 C ATOM 204 NH1 ARG A 13 -6.126 11.449 6.643 1.00 4.13 N ATOM 205 NH2 ARG A 13 -5.284 11.899 4.538 1.00 22.33 N ATOM 0 H ARG A 13 -1.378 7.006 5.752 1.00 5.02 H new ATOM 0 HA ARG A 13 -2.545 4.998 7.522 1.00 54.30 H new ATOM 0 HB2 ARG A 13 -4.302 6.669 7.768 1.00 64.32 H new ATOM 0 HB3 ARG A 13 -2.717 7.325 8.127 1.00 64.32 H new ATOM 0 HG2 ARG A 13 -2.604 8.302 5.877 1.00 74.43 H new ATOM 0 HG3 ARG A 13 -4.180 7.634 5.503 1.00 74.43 H new ATOM 0 HD2 ARG A 13 -5.198 9.022 7.285 1.00 42.00 H new ATOM 0 HD3 ARG A 13 -3.622 9.684 7.673 1.00 42.00 H new ATOM 0 HE ARG A 13 -3.677 10.146 5.024 1.00 42.15 H new ATOM 0 HH11 ARG A 13 -6.099 10.903 7.504 1.00 4.13 H new ATOM 0 HH12 ARG A 13 -6.814 12.194 6.533 1.00 4.13 H new ATOM 0 HH21 ARG A 13 -4.617 11.700 3.792 1.00 22.33 H new ATOM 0 HH22 ARG A 13 -5.970 12.645 4.423 1.00 22.33 H new ATOM 219 N TYR A 14 -4.599 4.389 6.075 1.00 44.42 N ATOM 220 CA TYR A 14 -5.484 3.693 5.150 1.00 70.02 C ATOM 221 C TYR A 14 -6.330 4.704 4.382 1.00 25.52 C ATOM 222 O TYR A 14 -6.738 4.459 3.257 1.00 15.11 O ATOM 223 CB TYR A 14 -6.394 2.729 5.920 1.00 71.15 C ATOM 224 CG TYR A 14 -5.643 1.837 6.886 1.00 22.12 C ATOM 225 CD1 TYR A 14 -4.887 0.762 6.449 1.00 44.23 C ATOM 226 CD2 TYR A 14 -5.689 2.092 8.247 1.00 12.12 C ATOM 227 CE1 TYR A 14 -4.199 -0.028 7.349 1.00 4.12 C ATOM 228 CE2 TYR A 14 -5.011 1.311 9.146 1.00 50.44 C ATOM 229 CZ TYR A 14 -4.266 0.258 8.699 1.00 2.44 C ATOM 230 OH TYR A 14 -3.587 -0.522 9.608 1.00 50.10 O ATOM 0 H TYR A 14 -4.828 4.251 7.059 1.00 44.42 H new ATOM 0 HA TYR A 14 -4.881 3.123 4.443 1.00 70.02 H new ATOM 0 HB2 TYR A 14 -7.137 3.305 6.471 1.00 71.15 H new ATOM 0 HB3 TYR A 14 -6.936 2.106 5.209 1.00 71.15 H new ATOM 0 HD1 TYR A 14 -4.835 0.539 5.394 1.00 44.23 H new ATOM 0 HD2 TYR A 14 -6.273 2.926 8.608 1.00 12.12 H new ATOM 0 HE1 TYR A 14 -3.612 -0.864 7.000 1.00 4.12 H new ATOM 0 HE2 TYR A 14 -5.066 1.527 10.203 1.00 50.44 H new ATOM 0 HH TYR A 14 -4.094 -1.344 9.777 1.00 50.10 H new ATOM 240 N SER A 15 -6.545 5.858 5.006 1.00 32.12 N ATOM 241 CA SER A 15 -7.341 6.933 4.435 1.00 64.45 C ATOM 242 C SER A 15 -6.724 7.510 3.147 1.00 14.32 C ATOM 243 O SER A 15 -7.455 7.995 2.270 1.00 52.41 O ATOM 244 CB SER A 15 -7.497 8.039 5.461 1.00 70.20 C ATOM 245 OG SER A 15 -8.042 7.537 6.674 1.00 31.54 O ATOM 0 H SER A 15 -6.168 6.073 5.929 1.00 32.12 H new ATOM 0 HA SER A 15 -8.311 6.514 4.168 1.00 64.45 H new ATOM 0 HB2 SER A 15 -6.528 8.498 5.656 1.00 70.20 H new ATOM 0 HB3 SER A 15 -8.145 8.820 5.063 1.00 70.20 H new ATOM 0 HG SER A 15 -8.740 6.880 6.472 1.00 31.54 H new ATOM 251 N ASP A 16 -5.391 7.449 3.018 1.00 53.41 N ATOM 252 CA ASP A 16 -4.745 8.016 1.821 1.00 72.53 C ATOM 253 C ASP A 16 -4.749 7.049 0.698 1.00 10.50 C ATOM 254 O ASP A 16 -4.623 7.440 -0.454 1.00 65.54 O ATOM 255 CB ASP A 16 -3.288 8.488 2.047 1.00 54.23 C ATOM 256 CG ASP A 16 -3.157 9.704 2.919 1.00 41.44 C ATOM 257 OD1 ASP A 16 -3.678 10.780 2.560 1.00 14.33 O ATOM 258 OD2 ASP A 16 -2.506 9.612 3.970 1.00 22.04 O ATOM 0 H ASP A 16 -4.757 7.030 3.698 1.00 53.41 H new ATOM 0 HA ASP A 16 -5.345 8.894 1.581 1.00 72.53 H new ATOM 0 HB2 ASP A 16 -2.720 7.672 2.495 1.00 54.23 H new ATOM 0 HB3 ASP A 16 -2.833 8.699 1.079 1.00 54.23 H new ATOM 263 N VAL A 17 -4.920 5.793 1.005 1.00 15.11 N ATOM 264 CA VAL A 17 -4.847 4.782 -0.020 1.00 14.21 C ATOM 265 C VAL A 17 -6.193 4.665 -0.684 1.00 20.03 C ATOM 266 O VAL A 17 -7.197 4.393 -0.030 1.00 21.52 O ATOM 267 CB VAL A 17 -4.460 3.398 0.555 1.00 64.44 C ATOM 268 CG1 VAL A 17 -4.199 2.385 -0.556 1.00 61.54 C ATOM 269 CG2 VAL A 17 -3.295 3.485 1.525 1.00 4.30 C ATOM 0 H VAL A 17 -5.109 5.445 1.945 1.00 15.11 H new ATOM 0 HA VAL A 17 -4.077 5.082 -0.731 1.00 14.21 H new ATOM 0 HB VAL A 17 -5.316 3.040 1.128 1.00 64.44 H new ATOM 0 HG11 VAL A 17 -3.930 1.424 -0.117 1.00 61.54 H new ATOM 0 HG12 VAL A 17 -5.098 2.268 -1.161 1.00 61.54 H new ATOM 0 HG13 VAL A 17 -3.382 2.738 -1.185 1.00 61.54 H new ATOM 0 HG21 VAL A 17 -3.060 2.490 1.902 1.00 4.30 H new ATOM 0 HG22 VAL A 17 -2.424 3.894 1.012 1.00 4.30 H new ATOM 0 HG23 VAL A 17 -3.563 4.134 2.358 1.00 4.30 H new ATOM 279 N LYS A 18 -6.228 4.862 -1.962 1.00 71.44 N ATOM 280 CA LYS A 18 -7.472 4.749 -2.690 1.00 42.44 C ATOM 281 C LYS A 18 -7.457 3.413 -3.411 1.00 61.11 C ATOM 282 O LYS A 18 -8.493 2.807 -3.666 1.00 12.04 O ATOM 283 CB LYS A 18 -7.558 5.879 -3.724 1.00 71.51 C ATOM 284 CG LYS A 18 -8.984 6.384 -4.072 1.00 31.40 C ATOM 285 CD LYS A 18 -9.929 5.313 -4.601 1.00 62.43 C ATOM 286 CE LYS A 18 -9.447 4.691 -5.899 1.00 74.41 C ATOM 287 NZ LYS A 18 -10.369 3.635 -6.363 1.00 1.50 N ATOM 0 H LYS A 18 -5.417 5.102 -2.532 1.00 71.44 H new ATOM 0 HA LYS A 18 -8.325 4.817 -2.014 1.00 42.44 H new ATOM 0 HB2 LYS A 18 -6.976 6.724 -3.357 1.00 71.51 H new ATOM 0 HB3 LYS A 18 -7.081 5.539 -4.643 1.00 71.51 H new ATOM 0 HG2 LYS A 18 -9.425 6.829 -3.180 1.00 31.40 H new ATOM 0 HG3 LYS A 18 -8.902 7.176 -4.816 1.00 31.40 H new ATOM 0 HD2 LYS A 18 -10.042 4.532 -3.849 1.00 62.43 H new ATOM 0 HD3 LYS A 18 -10.915 5.750 -4.757 1.00 62.43 H new ATOM 0 HE2 LYS A 18 -9.360 5.463 -6.664 1.00 74.41 H new ATOM 0 HE3 LYS A 18 -8.452 4.270 -5.756 1.00 74.41 H new ATOM 0 HZ1 LYS A 18 -10.013 3.229 -7.252 1.00 1.50 H new ATOM 0 HZ2 LYS A 18 -10.432 2.888 -5.642 1.00 1.50 H new ATOM 0 HZ3 LYS A 18 -11.312 4.043 -6.522 1.00 1.50 H new ATOM 301 N LYS A 19 -6.272 2.959 -3.703 1.00 72.22 N ATOM 302 CA LYS A 19 -6.072 1.780 -4.480 1.00 44.43 C ATOM 303 C LYS A 19 -4.752 1.168 -4.086 1.00 70.31 C ATOM 304 O LYS A 19 -3.767 1.887 -3.857 1.00 34.20 O ATOM 305 CB LYS A 19 -6.096 2.138 -5.973 1.00 13.24 C ATOM 306 CG LYS A 19 -5.933 0.964 -6.907 1.00 64.45 C ATOM 307 CD LYS A 19 -6.055 1.399 -8.355 1.00 44.55 C ATOM 308 CE LYS A 19 -5.982 0.216 -9.302 1.00 73.43 C ATOM 309 NZ LYS A 19 -6.113 0.636 -10.712 1.00 35.43 N ATOM 0 H LYS A 19 -5.407 3.408 -3.401 1.00 72.22 H new ATOM 0 HA LYS A 19 -6.867 1.058 -4.296 1.00 44.43 H new ATOM 0 HB2 LYS A 19 -7.039 2.635 -6.198 1.00 13.24 H new ATOM 0 HB3 LYS A 19 -5.301 2.857 -6.173 1.00 13.24 H new ATOM 0 HG2 LYS A 19 -4.961 0.498 -6.744 1.00 64.45 H new ATOM 0 HG3 LYS A 19 -6.689 0.211 -6.685 1.00 64.45 H new ATOM 0 HD2 LYS A 19 -6.999 1.924 -8.499 1.00 44.55 H new ATOM 0 HD3 LYS A 19 -5.259 2.105 -8.592 1.00 44.55 H new ATOM 0 HE2 LYS A 19 -5.034 -0.303 -9.164 1.00 73.43 H new ATOM 0 HE3 LYS A 19 -6.772 -0.494 -9.059 1.00 73.43 H new ATOM 0 HZ1 LYS A 19 -6.058 -0.199 -11.329 1.00 35.43 H new ATOM 0 HZ2 LYS A 19 -7.029 1.109 -10.850 1.00 35.43 H new ATOM 0 HZ3 LYS A 19 -5.344 1.294 -10.951 1.00 35.43 H new ATOM 323 N LEU A 20 -4.733 -0.127 -3.990 1.00 33.52 N ATOM 324 CA LEU A 20 -3.570 -0.847 -3.565 1.00 61.24 C ATOM 325 C LEU A 20 -3.442 -2.083 -4.455 1.00 12.02 C ATOM 326 O LEU A 20 -4.370 -2.901 -4.530 1.00 24.53 O ATOM 327 CB LEU A 20 -3.780 -1.211 -2.066 1.00 41.41 C ATOM 328 CG LEU A 20 -2.597 -1.766 -1.252 1.00 63.22 C ATOM 329 CD1 LEU A 20 -2.996 -1.850 0.220 1.00 52.43 C ATOM 330 CD2 LEU A 20 -2.175 -3.142 -1.739 1.00 22.41 C ATOM 0 H LEU A 20 -5.534 -0.721 -4.207 1.00 33.52 H new ATOM 0 HA LEU A 20 -2.649 -0.271 -3.655 1.00 61.24 H new ATOM 0 HB2 LEU A 20 -4.135 -0.314 -1.558 1.00 41.41 H new ATOM 0 HB3 LEU A 20 -4.584 -1.945 -2.017 1.00 41.41 H new ATOM 0 HG LEU A 20 -1.751 -1.091 -1.381 1.00 63.22 H new ATOM 0 HD11 LEU A 20 -2.162 -2.243 0.801 1.00 52.43 H new ATOM 0 HD12 LEU A 20 -3.256 -0.856 0.584 1.00 52.43 H new ATOM 0 HD13 LEU A 20 -3.856 -2.512 0.327 1.00 52.43 H new ATOM 0 HD21 LEU A 20 -1.338 -3.499 -1.139 1.00 22.41 H new ATOM 0 HD22 LEU A 20 -3.011 -3.834 -1.643 1.00 22.41 H new ATOM 0 HD23 LEU A 20 -1.873 -3.081 -2.784 1.00 22.41 H new ATOM 342 N GLU A 21 -2.320 -2.213 -5.131 1.00 35.23 N ATOM 343 CA GLU A 21 -2.086 -3.337 -6.026 1.00 32.34 C ATOM 344 C GLU A 21 -0.803 -4.002 -5.634 1.00 64.43 C ATOM 345 O GLU A 21 0.102 -3.333 -5.136 1.00 21.54 O ATOM 346 CB GLU A 21 -1.930 -2.861 -7.477 1.00 0.11 C ATOM 347 CG GLU A 21 -3.095 -2.079 -8.045 1.00 1.20 C ATOM 348 CD GLU A 21 -2.861 -1.713 -9.489 1.00 21.52 C ATOM 349 OE1 GLU A 21 -2.272 -0.644 -9.769 1.00 20.42 O ATOM 350 OE2 GLU A 21 -3.249 -2.499 -10.379 1.00 5.31 O ATOM 0 H GLU A 21 -1.547 -1.550 -5.080 1.00 35.23 H new ATOM 0 HA GLU A 21 -2.935 -4.016 -5.953 1.00 32.34 H new ATOM 0 HB2 GLU A 21 -1.036 -2.241 -7.542 1.00 0.11 H new ATOM 0 HB3 GLU A 21 -1.760 -3.733 -8.109 1.00 0.11 H new ATOM 0 HG2 GLU A 21 -4.007 -2.670 -7.961 1.00 1.20 H new ATOM 0 HG3 GLU A 21 -3.247 -1.173 -7.459 1.00 1.20 H new ATOM 357 N MET A 22 -0.690 -5.290 -5.829 1.00 72.22 N ATOM 358 CA MET A 22 0.554 -5.903 -5.574 1.00 72.22 C ATOM 359 C MET A 22 1.227 -6.238 -6.897 1.00 1.15 C ATOM 360 O MET A 22 0.747 -7.063 -7.685 1.00 45.23 O ATOM 361 CB MET A 22 0.439 -7.135 -4.659 1.00 22.34 C ATOM 362 CG MET A 22 -0.284 -8.343 -5.236 1.00 22.24 C ATOM 363 SD MET A 22 -0.288 -9.740 -4.091 1.00 71.14 S ATOM 364 CE MET A 22 -0.985 -11.020 -5.133 1.00 72.42 C ATOM 0 H MET A 22 -1.433 -5.908 -6.155 1.00 72.22 H new ATOM 0 HA MET A 22 1.175 -5.196 -5.024 1.00 72.22 H new ATOM 0 HB2 MET A 22 1.445 -7.443 -4.374 1.00 22.34 H new ATOM 0 HB3 MET A 22 -0.074 -6.835 -3.745 1.00 22.34 H new ATOM 0 HG2 MET A 22 -1.311 -8.069 -5.478 1.00 22.24 H new ATOM 0 HG3 MET A 22 0.195 -8.640 -6.169 1.00 22.24 H new ATOM 0 HE1 MET A 22 -1.054 -11.951 -4.570 1.00 72.42 H new ATOM 0 HE2 MET A 22 -1.980 -10.720 -5.461 1.00 72.42 H new ATOM 0 HE3 MET A 22 -0.346 -11.169 -6.003 1.00 72.42 H new ATOM 374 N LYS A 23 2.292 -5.569 -7.148 1.00 24.02 N ATOM 375 CA LYS A 23 3.090 -5.751 -8.312 1.00 34.42 C ATOM 376 C LYS A 23 4.468 -5.232 -7.981 1.00 13.23 C ATOM 377 O LYS A 23 4.587 -4.234 -7.298 1.00 22.43 O ATOM 378 CB LYS A 23 2.446 -5.009 -9.495 1.00 22.51 C ATOM 379 CG LYS A 23 2.265 -3.530 -9.259 1.00 34.10 C ATOM 380 CD LYS A 23 1.340 -2.912 -10.263 1.00 61.14 C ATOM 381 CE LYS A 23 1.230 -1.408 -10.051 1.00 24.04 C ATOM 382 NZ LYS A 23 0.289 -0.756 -10.985 1.00 3.40 N ATOM 0 H LYS A 23 2.650 -4.847 -6.523 1.00 24.02 H new ATOM 0 HA LYS A 23 3.163 -6.798 -8.606 1.00 34.42 H new ATOM 0 HB2 LYS A 23 3.063 -5.153 -10.382 1.00 22.51 H new ATOM 0 HB3 LYS A 23 1.474 -5.455 -9.707 1.00 22.51 H new ATOM 0 HG2 LYS A 23 1.872 -3.368 -8.255 1.00 34.10 H new ATOM 0 HG3 LYS A 23 3.234 -3.034 -9.305 1.00 34.10 H new ATOM 0 HD2 LYS A 23 1.703 -3.115 -11.270 1.00 61.14 H new ATOM 0 HD3 LYS A 23 0.353 -3.367 -10.182 1.00 61.14 H new ATOM 0 HE2 LYS A 23 0.909 -1.214 -9.028 1.00 24.04 H new ATOM 0 HE3 LYS A 23 2.216 -0.958 -10.166 1.00 24.04 H new ATOM 0 HZ1 LYS A 23 0.626 0.203 -11.204 1.00 3.40 H new ATOM 0 HZ2 LYS A 23 0.230 -1.311 -11.862 1.00 3.40 H new ATOM 0 HZ3 LYS A 23 -0.653 -0.700 -10.547 1.00 3.40 H new ATOM 396 N PRO A 24 5.521 -5.897 -8.442 1.00 31.34 N ATOM 397 CA PRO A 24 6.903 -5.534 -8.094 1.00 65.34 C ATOM 398 C PRO A 24 7.352 -4.211 -8.706 1.00 74.13 C ATOM 399 O PRO A 24 8.457 -3.743 -8.433 1.00 3.40 O ATOM 400 CB PRO A 24 7.726 -6.689 -8.669 1.00 61.22 C ATOM 401 CG PRO A 24 6.897 -7.244 -9.764 1.00 51.41 C ATOM 402 CD PRO A 24 5.471 -7.058 -9.346 1.00 32.42 C ATOM 0 HA PRO A 24 7.017 -5.392 -7.019 1.00 65.34 H new ATOM 0 HB2 PRO A 24 8.689 -6.340 -9.041 1.00 61.22 H new ATOM 0 HB3 PRO A 24 7.932 -7.443 -7.909 1.00 61.22 H new ATOM 0 HG2 PRO A 24 7.097 -6.728 -10.703 1.00 51.41 H new ATOM 0 HG3 PRO A 24 7.121 -8.299 -9.925 1.00 51.41 H new ATOM 0 HD2 PRO A 24 4.824 -6.871 -10.203 1.00 32.42 H new ATOM 0 HD3 PRO A 24 5.083 -7.943 -8.841 1.00 32.42 H new ATOM 410 N LYS A 25 6.481 -3.620 -9.544 1.00 71.21 N ATOM 411 CA LYS A 25 6.738 -2.380 -10.284 1.00 34.12 C ATOM 412 C LYS A 25 7.741 -2.649 -11.419 1.00 54.00 C ATOM 413 O LYS A 25 7.527 -2.256 -12.574 1.00 1.42 O ATOM 414 CB LYS A 25 7.192 -1.266 -9.340 1.00 73.42 C ATOM 415 CG LYS A 25 7.299 0.098 -9.975 1.00 33.04 C ATOM 416 CD LYS A 25 7.469 1.123 -8.900 1.00 64.50 C ATOM 417 CE LYS A 25 7.541 2.549 -9.439 1.00 34.12 C ATOM 418 NZ LYS A 25 8.701 2.757 -10.324 1.00 42.02 N ATOM 0 H LYS A 25 5.555 -4.006 -9.727 1.00 71.21 H new ATOM 0 HA LYS A 25 5.813 -2.031 -10.743 1.00 34.12 H new ATOM 0 HB2 LYS A 25 6.493 -1.209 -8.506 1.00 73.42 H new ATOM 0 HB3 LYS A 25 8.163 -1.535 -8.924 1.00 73.42 H new ATOM 0 HG2 LYS A 25 8.145 0.128 -10.661 1.00 33.04 H new ATOM 0 HG3 LYS A 25 6.405 0.312 -10.561 1.00 33.04 H new ATOM 0 HD2 LYS A 25 6.638 1.047 -8.199 1.00 64.50 H new ATOM 0 HD3 LYS A 25 8.379 0.906 -8.340 1.00 64.50 H new ATOM 0 HE2 LYS A 25 6.625 2.775 -9.986 1.00 34.12 H new ATOM 0 HE3 LYS A 25 7.594 3.248 -8.604 1.00 34.12 H new ATOM 0 HZ1 LYS A 25 8.706 3.740 -10.664 1.00 42.02 H new ATOM 0 HZ2 LYS A 25 9.578 2.568 -9.797 1.00 42.02 H new ATOM 0 HZ3 LYS A 25 8.639 2.110 -11.136 1.00 42.02 H new ATOM 432 N TYR A 26 8.805 -3.346 -11.082 1.00 31.05 N ATOM 433 CA TYR A 26 9.795 -3.818 -12.011 1.00 11.13 C ATOM 434 C TYR A 26 9.962 -5.306 -11.810 1.00 21.44 C ATOM 435 O TYR A 26 10.050 -5.757 -10.680 1.00 55.13 O ATOM 436 CB TYR A 26 11.136 -3.126 -11.773 1.00 51.14 C ATOM 437 CG TYR A 26 11.182 -1.694 -12.179 1.00 50.14 C ATOM 438 CD1 TYR A 26 10.753 -0.693 -11.332 1.00 73.34 C ATOM 439 CD2 TYR A 26 11.662 -1.346 -13.425 1.00 25.21 C ATOM 440 CE1 TYR A 26 10.797 0.623 -11.715 1.00 14.15 C ATOM 441 CE2 TYR A 26 11.712 -0.031 -13.818 1.00 34.10 C ATOM 442 CZ TYR A 26 11.274 0.952 -12.956 1.00 53.53 C ATOM 443 OH TYR A 26 11.318 2.275 -13.340 1.00 41.01 O ATOM 0 H TYR A 26 9.007 -3.606 -10.117 1.00 31.05 H new ATOM 0 HA TYR A 26 9.469 -3.597 -13.027 1.00 11.13 H new ATOM 0 HB2 TYR A 26 11.382 -3.196 -10.713 1.00 51.14 H new ATOM 0 HB3 TYR A 26 11.910 -3.668 -12.317 1.00 51.14 H new ATOM 0 HD1 TYR A 26 10.377 -0.950 -10.353 1.00 73.34 H new ATOM 0 HD2 TYR A 26 12.003 -2.117 -14.100 1.00 25.21 H new ATOM 0 HE1 TYR A 26 10.457 1.396 -11.042 1.00 14.15 H new ATOM 0 HE2 TYR A 26 12.091 0.231 -14.795 1.00 34.10 H new ATOM 0 HH TYR A 26 11.448 2.841 -12.550 1.00 41.01 H new ATOM 453 N PRO A 27 9.987 -6.105 -12.889 1.00 72.34 N ATOM 454 CA PRO A 27 10.202 -7.567 -12.790 1.00 64.24 C ATOM 455 C PRO A 27 11.507 -7.919 -12.047 1.00 44.31 C ATOM 456 O PRO A 27 11.634 -9.003 -11.467 1.00 23.41 O ATOM 457 CB PRO A 27 10.289 -8.015 -14.251 1.00 60.24 C ATOM 458 CG PRO A 27 9.544 -6.975 -15.017 1.00 71.13 C ATOM 459 CD PRO A 27 9.759 -5.677 -14.285 1.00 2.43 C ATOM 0 HA PRO A 27 9.408 -8.055 -12.225 1.00 64.24 H new ATOM 0 HB2 PRO A 27 11.325 -8.083 -14.582 1.00 60.24 H new ATOM 0 HB3 PRO A 27 9.845 -9.001 -14.389 1.00 60.24 H new ATOM 0 HG2 PRO A 27 9.911 -6.909 -16.041 1.00 71.13 H new ATOM 0 HG3 PRO A 27 8.483 -7.219 -15.073 1.00 71.13 H new ATOM 0 HD2 PRO A 27 10.613 -5.129 -14.682 1.00 2.43 H new ATOM 0 HD3 PRO A 27 8.893 -5.021 -14.368 1.00 2.43 H new ATOM 467 N HIS A 28 12.451 -6.977 -12.039 1.00 51.01 N ATOM 468 CA HIS A 28 13.743 -7.155 -11.362 1.00 33.21 C ATOM 469 C HIS A 28 13.654 -6.858 -9.840 1.00 23.51 C ATOM 470 O HIS A 28 14.680 -6.709 -9.173 1.00 50.10 O ATOM 471 CB HIS A 28 14.868 -6.282 -12.017 1.00 21.32 C ATOM 472 CG HIS A 28 14.694 -4.779 -11.914 1.00 63.03 C ATOM 473 ND1 HIS A 28 14.924 -4.086 -10.755 1.00 54.14 N ATOM 474 CD2 HIS A 28 14.331 -3.829 -12.835 1.00 21.41 C ATOM 475 CE1 HIS A 28 14.718 -2.816 -10.955 1.00 22.12 C ATOM 476 NE2 HIS A 28 14.369 -2.628 -12.194 1.00 52.02 N ATOM 0 H HIS A 28 12.346 -6.072 -12.498 1.00 51.01 H new ATOM 0 HA HIS A 28 14.007 -8.205 -11.484 1.00 33.21 H new ATOM 0 HB2 HIS A 28 15.820 -6.549 -11.558 1.00 21.32 H new ATOM 0 HB3 HIS A 28 14.937 -6.547 -13.072 1.00 21.32 H new ATOM 0 HD2 HIS A 28 14.066 -4.000 -13.868 1.00 21.41 H new ATOM 0 HE1 HIS A 28 14.821 -2.041 -10.210 1.00 22.12 H new ATOM 0 HE2 HIS A 28 14.157 -1.725 -12.618 1.00 52.02 H new ATOM 485 N CYS A 29 12.458 -6.792 -9.309 1.00 43.13 N ATOM 486 CA CYS A 29 12.249 -6.536 -7.894 1.00 0.42 C ATOM 487 C CYS A 29 11.744 -7.827 -7.254 1.00 23.01 C ATOM 488 O CYS A 29 11.149 -8.657 -7.950 1.00 43.11 O ATOM 489 CB CYS A 29 11.218 -5.418 -7.750 1.00 54.42 C ATOM 490 SG CYS A 29 11.677 -3.859 -8.593 1.00 73.03 S ATOM 0 H CYS A 29 11.597 -6.914 -9.842 1.00 43.13 H new ATOM 0 HA CYS A 29 13.171 -6.226 -7.402 1.00 0.42 H new ATOM 0 HB2 CYS A 29 10.264 -5.765 -8.147 1.00 54.42 H new ATOM 0 HB3 CYS A 29 11.066 -5.214 -6.690 1.00 54.42 H new ATOM 495 N GLU A 30 11.995 -8.035 -5.963 1.00 72.41 N ATOM 496 CA GLU A 30 11.652 -9.293 -5.347 1.00 34.04 C ATOM 497 C GLU A 30 10.223 -9.298 -4.867 1.00 40.05 C ATOM 498 O GLU A 30 9.816 -8.396 -4.126 1.00 43.23 O ATOM 499 CB GLU A 30 12.566 -9.528 -4.170 1.00 60.22 C ATOM 500 CG GLU A 30 14.003 -9.525 -4.509 1.00 1.22 C ATOM 501 CD GLU A 30 14.858 -9.677 -3.299 1.00 45.41 C ATOM 502 OE1 GLU A 30 15.213 -8.642 -2.684 1.00 31.44 O ATOM 503 OE2 GLU A 30 15.175 -10.828 -2.925 1.00 3.30 O ATOM 0 H GLU A 30 12.428 -7.354 -5.340 1.00 72.41 H new ATOM 0 HA GLU A 30 11.767 -10.082 -6.090 1.00 34.04 H new ATOM 0 HB2 GLU A 30 12.380 -8.759 -3.420 1.00 60.22 H new ATOM 0 HB3 GLU A 30 12.314 -10.485 -3.714 1.00 60.22 H new ATOM 0 HG2 GLU A 30 14.213 -10.336 -5.207 1.00 1.22 H new ATOM 0 HG3 GLU A 30 14.255 -8.594 -5.017 1.00 1.22 H new ATOM 510 N GLU A 31 9.496 -10.350 -5.235 1.00 53.35 N ATOM 511 CA GLU A 31 8.106 -10.568 -4.826 1.00 22.33 C ATOM 512 C GLU A 31 7.182 -9.425 -5.354 1.00 23.40 C ATOM 513 O GLU A 31 7.630 -8.532 -6.068 1.00 41.43 O ATOM 514 CB GLU A 31 8.053 -10.727 -3.281 1.00 3.55 C ATOM 515 CG GLU A 31 6.738 -11.210 -2.695 1.00 20.32 C ATOM 516 CD GLU A 31 6.839 -11.429 -1.210 1.00 53.55 C ATOM 517 OE1 GLU A 31 7.555 -12.373 -0.790 1.00 45.51 O ATOM 518 OE2 GLU A 31 6.210 -10.699 -0.445 1.00 61.44 O ATOM 0 H GLU A 31 9.860 -11.089 -5.836 1.00 53.35 H new ATOM 0 HA GLU A 31 7.725 -11.487 -5.271 1.00 22.33 H new ATOM 0 HB2 GLU A 31 8.836 -11.424 -2.983 1.00 3.55 H new ATOM 0 HB3 GLU A 31 8.294 -9.764 -2.830 1.00 3.55 H new ATOM 0 HG2 GLU A 31 5.956 -10.479 -2.903 1.00 20.32 H new ATOM 0 HG3 GLU A 31 6.442 -12.140 -3.181 1.00 20.32 H new ATOM 525 N LYS A 32 5.908 -9.497 -5.063 1.00 64.02 N ATOM 526 CA LYS A 32 4.995 -8.462 -5.456 1.00 12.44 C ATOM 527 C LYS A 32 5.038 -7.313 -4.475 1.00 71.11 C ATOM 528 O LYS A 32 4.612 -7.456 -3.321 1.00 63.34 O ATOM 529 CB LYS A 32 3.569 -8.988 -5.539 1.00 44.15 C ATOM 530 CG LYS A 32 3.357 -10.107 -6.528 1.00 41.05 C ATOM 531 CD LYS A 32 3.688 -9.687 -7.937 1.00 14.42 C ATOM 532 CE LYS A 32 3.248 -10.725 -8.969 1.00 24.02 C ATOM 533 NZ LYS A 32 3.887 -12.036 -8.775 1.00 64.25 N ATOM 0 H LYS A 32 5.480 -10.269 -4.551 1.00 64.02 H new ATOM 0 HA LYS A 32 5.304 -8.114 -6.442 1.00 12.44 H new ATOM 0 HB2 LYS A 32 3.268 -9.335 -4.551 1.00 44.15 H new ATOM 0 HB3 LYS A 32 2.908 -8.162 -5.801 1.00 44.15 H new ATOM 0 HG2 LYS A 32 3.977 -10.959 -6.249 1.00 41.05 H new ATOM 0 HG3 LYS A 32 2.320 -10.439 -6.483 1.00 41.05 H new ATOM 0 HD2 LYS A 32 3.204 -8.735 -8.153 1.00 14.42 H new ATOM 0 HD3 LYS A 32 4.762 -9.525 -8.023 1.00 14.42 H new ATOM 0 HE2 LYS A 32 2.166 -10.844 -8.918 1.00 24.02 H new ATOM 0 HE3 LYS A 32 3.482 -10.357 -9.968 1.00 24.02 H new ATOM 0 HZ1 LYS A 32 3.603 -12.678 -9.543 1.00 64.25 H new ATOM 0 HZ2 LYS A 32 4.921 -11.923 -8.783 1.00 64.25 H new ATOM 0 HZ3 LYS A 32 3.590 -12.435 -7.862 1.00 64.25 H new ATOM 547 N MET A 33 5.567 -6.202 -4.924 1.00 71.15 N ATOM 548 CA MET A 33 5.584 -4.970 -4.132 1.00 74.43 C ATOM 549 C MET A 33 4.202 -4.458 -3.876 1.00 63.01 C ATOM 550 O MET A 33 3.248 -4.787 -4.588 1.00 70.51 O ATOM 551 CB MET A 33 6.401 -3.837 -4.773 1.00 4.54 C ATOM 552 CG MET A 33 7.872 -3.911 -4.498 1.00 5.03 C ATOM 553 SD MET A 33 8.644 -5.390 -5.102 1.00 11.13 S ATOM 554 CE MET A 33 10.194 -5.220 -4.277 1.00 1.21 C ATOM 0 H MET A 33 6.000 -6.113 -5.843 1.00 71.15 H new ATOM 0 HA MET A 33 6.065 -5.254 -3.196 1.00 74.43 H new ATOM 0 HB2 MET A 33 6.243 -3.855 -5.851 1.00 4.54 H new ATOM 0 HB3 MET A 33 6.022 -2.881 -4.411 1.00 4.54 H new ATOM 0 HG2 MET A 33 8.360 -3.048 -4.950 1.00 5.03 H new ATOM 0 HG3 MET A 33 8.034 -3.842 -3.422 1.00 5.03 H new ATOM 0 HE1 MET A 33 10.835 -6.065 -4.530 1.00 1.21 H new ATOM 0 HE2 MET A 33 10.674 -4.293 -4.592 1.00 1.21 H new ATOM 0 HE3 MET A 33 10.032 -5.197 -3.199 1.00 1.21 H new ATOM 564 N VAL A 34 4.092 -3.643 -2.893 1.00 31.43 N ATOM 565 CA VAL A 34 2.842 -3.061 -2.538 1.00 34.13 C ATOM 566 C VAL A 34 2.753 -1.686 -3.136 1.00 50.11 C ATOM 567 O VAL A 34 3.460 -0.776 -2.721 1.00 63.10 O ATOM 568 CB VAL A 34 2.712 -2.963 -1.023 1.00 63.13 C ATOM 569 CG1 VAL A 34 1.421 -2.263 -0.633 1.00 4.30 C ATOM 570 CG2 VAL A 34 2.791 -4.347 -0.404 1.00 42.32 C ATOM 0 H VAL A 34 4.873 -3.355 -2.303 1.00 31.43 H new ATOM 0 HA VAL A 34 2.036 -3.688 -2.919 1.00 34.13 H new ATOM 0 HB VAL A 34 3.539 -2.365 -0.640 1.00 63.13 H new ATOM 0 HG11 VAL A 34 1.352 -2.206 0.453 1.00 4.30 H new ATOM 0 HG12 VAL A 34 1.412 -1.256 -1.051 1.00 4.30 H new ATOM 0 HG13 VAL A 34 0.571 -2.824 -1.021 1.00 4.30 H new ATOM 0 HG21 VAL A 34 2.697 -4.267 0.679 1.00 42.32 H new ATOM 0 HG22 VAL A 34 1.983 -4.966 -0.794 1.00 42.32 H new ATOM 0 HG23 VAL A 34 3.750 -4.803 -0.652 1.00 42.32 H new ATOM 580 N ILE A 35 1.907 -1.542 -4.097 1.00 40.23 N ATOM 581 CA ILE A 35 1.751 -0.302 -4.781 1.00 62.12 C ATOM 582 C ILE A 35 0.586 0.452 -4.204 1.00 54.20 C ATOM 583 O ILE A 35 -0.571 0.017 -4.300 1.00 0.31 O ATOM 584 CB ILE A 35 1.544 -0.532 -6.282 1.00 31.14 C ATOM 585 CG1 ILE A 35 2.726 -1.304 -6.861 1.00 10.20 C ATOM 586 CG2 ILE A 35 1.342 0.778 -7.018 1.00 12.13 C ATOM 587 CD1 ILE A 35 4.081 -0.624 -6.724 1.00 63.50 C ATOM 0 H ILE A 35 1.298 -2.287 -4.434 1.00 40.23 H new ATOM 0 HA ILE A 35 2.659 0.286 -4.650 1.00 62.12 H new ATOM 0 HB ILE A 35 0.639 -1.124 -6.415 1.00 31.14 H new ATOM 0 HG12 ILE A 35 2.776 -2.277 -6.373 1.00 10.20 H new ATOM 0 HG13 ILE A 35 2.536 -1.487 -7.919 1.00 10.20 H new ATOM 0 HG21 ILE A 35 1.198 0.580 -8.080 1.00 12.13 H new ATOM 0 HG22 ILE A 35 0.463 1.287 -6.621 1.00 12.13 H new ATOM 0 HG23 ILE A 35 2.219 1.411 -6.882 1.00 12.13 H new ATOM 0 HD11 ILE A 35 4.851 -1.255 -7.167 1.00 63.50 H new ATOM 0 HD12 ILE A 35 4.059 0.337 -7.238 1.00 63.50 H new ATOM 0 HD13 ILE A 35 4.304 -0.466 -5.669 1.00 63.50 H new ATOM 599 N ILE A 36 0.890 1.552 -3.595 1.00 41.12 N ATOM 600 CA ILE A 36 -0.088 2.362 -2.962 1.00 22.12 C ATOM 601 C ILE A 36 -0.360 3.603 -3.745 1.00 10.42 C ATOM 602 O ILE A 36 0.517 4.448 -3.955 1.00 5.22 O ATOM 603 CB ILE A 36 0.312 2.704 -1.528 1.00 23.12 C ATOM 604 CG1 ILE A 36 0.331 1.426 -0.705 1.00 74.12 C ATOM 605 CG2 ILE A 36 -0.621 3.754 -0.911 1.00 62.30 C ATOM 606 CD1 ILE A 36 0.689 1.642 0.714 1.00 2.23 C ATOM 0 H ILE A 36 1.841 1.915 -3.525 1.00 41.12 H new ATOM 0 HA ILE A 36 -1.010 1.781 -2.924 1.00 22.12 H new ATOM 0 HB ILE A 36 1.308 3.146 -1.534 1.00 23.12 H new ATOM 0 HG12 ILE A 36 -0.651 0.956 -0.756 1.00 74.12 H new ATOM 0 HG13 ILE A 36 1.042 0.728 -1.148 1.00 74.12 H new ATOM 0 HG21 ILE A 36 -0.302 3.969 0.109 1.00 62.30 H new ATOM 0 HG22 ILE A 36 -0.583 4.668 -1.504 1.00 62.30 H new ATOM 0 HG23 ILE A 36 -1.642 3.372 -0.899 1.00 62.30 H new ATOM 0 HD11 ILE A 36 0.683 0.687 1.240 1.00 2.23 H new ATOM 0 HD12 ILE A 36 1.684 2.083 0.775 1.00 2.23 H new ATOM 0 HD13 ILE A 36 -0.035 2.314 1.174 1.00 2.23 H new ATOM 618 N THR A 37 -1.562 3.706 -4.150 1.00 22.23 N ATOM 619 CA THR A 37 -2.042 4.809 -4.907 1.00 62.35 C ATOM 620 C THR A 37 -2.914 5.666 -3.994 1.00 32.24 C ATOM 621 O THR A 37 -3.847 5.148 -3.344 1.00 13.00 O ATOM 622 CB THR A 37 -2.864 4.285 -6.097 1.00 30.51 C ATOM 623 OG1 THR A 37 -2.032 3.416 -6.900 1.00 54.42 O ATOM 624 CG2 THR A 37 -3.398 5.427 -6.948 1.00 64.35 C ATOM 0 H THR A 37 -2.274 3.001 -3.961 1.00 22.23 H new ATOM 0 HA THR A 37 -1.215 5.406 -5.292 1.00 62.35 H new ATOM 0 HB THR A 37 -3.720 3.731 -5.712 1.00 30.51 H new ATOM 0 HG1 THR A 37 -2.550 3.077 -7.659 1.00 54.42 H new ATOM 0 HG21 THR A 37 -3.974 5.022 -7.780 1.00 64.35 H new ATOM 0 HG22 THR A 37 -4.039 6.065 -6.340 1.00 64.35 H new ATOM 0 HG23 THR A 37 -2.564 6.013 -7.335 1.00 64.35 H new ATOM 632 N THR A 38 -2.617 6.943 -3.923 1.00 45.54 N ATOM 633 CA THR A 38 -3.332 7.817 -3.039 1.00 12.20 C ATOM 634 C THR A 38 -4.659 8.273 -3.634 1.00 32.11 C ATOM 635 O THR A 38 -4.878 8.164 -4.842 1.00 54.53 O ATOM 636 CB THR A 38 -2.457 9.028 -2.636 1.00 53.21 C ATOM 637 OG1 THR A 38 -1.900 9.655 -3.812 1.00 2.42 O ATOM 638 CG2 THR A 38 -1.331 8.583 -1.718 1.00 43.13 C ATOM 0 H THR A 38 -1.884 7.394 -4.470 1.00 45.54 H new ATOM 0 HA THR A 38 -3.565 7.248 -2.139 1.00 12.20 H new ATOM 0 HB THR A 38 -3.085 9.746 -2.109 1.00 53.21 H new ATOM 0 HG1 THR A 38 -1.350 10.421 -3.545 1.00 2.42 H new ATOM 0 HG21 THR A 38 -0.724 9.445 -1.443 1.00 43.13 H new ATOM 0 HG22 THR A 38 -1.751 8.133 -0.819 1.00 43.13 H new ATOM 0 HG23 THR A 38 -0.709 7.851 -2.233 1.00 43.13 H new ATOM 646 N LYS A 39 -5.549 8.737 -2.789 1.00 40.15 N ATOM 647 CA LYS A 39 -6.826 9.244 -3.241 1.00 1.40 C ATOM 648 C LYS A 39 -6.652 10.625 -3.840 1.00 64.31 C ATOM 649 O LYS A 39 -7.114 10.898 -4.950 1.00 63.34 O ATOM 650 CB LYS A 39 -7.804 9.313 -2.065 1.00 11.23 C ATOM 651 CG LYS A 39 -9.209 9.740 -2.448 1.00 4.24 C ATOM 652 CD LYS A 39 -10.102 9.842 -1.230 1.00 23.11 C ATOM 653 CE LYS A 39 -11.533 10.175 -1.615 1.00 13.10 C ATOM 654 NZ LYS A 39 -11.646 11.431 -2.388 1.00 3.21 N ATOM 0 H LYS A 39 -5.412 8.775 -1.779 1.00 40.15 H new ATOM 0 HA LYS A 39 -7.224 8.572 -4.001 1.00 1.40 H new ATOM 0 HB2 LYS A 39 -7.851 8.334 -1.588 1.00 11.23 H new ATOM 0 HB3 LYS A 39 -7.414 10.010 -1.323 1.00 11.23 H new ATOM 0 HG2 LYS A 39 -9.173 10.703 -2.957 1.00 4.24 H new ATOM 0 HG3 LYS A 39 -9.631 9.023 -3.152 1.00 4.24 H new ATOM 0 HD2 LYS A 39 -10.081 8.900 -0.683 1.00 23.11 H new ATOM 0 HD3 LYS A 39 -9.717 10.609 -0.558 1.00 23.11 H new ATOM 0 HE2 LYS A 39 -11.946 9.355 -2.203 1.00 13.10 H new ATOM 0 HE3 LYS A 39 -12.137 10.255 -0.711 1.00 13.10 H new ATOM 0 HZ1 LYS A 39 -12.649 11.686 -2.491 1.00 3.21 H new ATOM 0 HZ2 LYS A 39 -11.144 12.193 -1.888 1.00 3.21 H new ATOM 0 HZ3 LYS A 39 -11.224 11.298 -3.329 1.00 3.21 H new ATOM 668 N SER A 40 -5.938 11.457 -3.099 1.00 14.35 N ATOM 669 CA SER A 40 -5.679 12.840 -3.407 1.00 71.24 C ATOM 670 C SER A 40 -5.081 13.409 -2.124 1.00 3.30 C ATOM 671 O SER A 40 -4.655 12.617 -1.262 1.00 60.22 O ATOM 672 CB SER A 40 -7.009 13.563 -3.745 1.00 34.04 C ATOM 673 OG SER A 40 -6.799 14.901 -4.170 1.00 4.25 O ATOM 0 H SER A 40 -5.505 11.163 -2.223 1.00 14.35 H new ATOM 0 HA SER A 40 -5.018 12.964 -4.265 1.00 71.24 H new ATOM 0 HB2 SER A 40 -7.531 13.013 -4.528 1.00 34.04 H new ATOM 0 HB3 SER A 40 -7.656 13.560 -2.868 1.00 34.04 H new ATOM 0 HG SER A 40 -7.662 15.319 -4.374 1.00 4.25 H new ATOM 679 N VAL A 41 -5.052 14.742 -1.986 1.00 54.24 N ATOM 680 CA VAL A 41 -4.548 15.446 -0.776 1.00 41.22 C ATOM 681 C VAL A 41 -3.022 15.329 -0.627 1.00 1.24 C ATOM 682 O VAL A 41 -2.308 16.344 -0.572 1.00 5.12 O ATOM 683 CB VAL A 41 -5.254 14.963 0.537 1.00 45.14 C ATOM 684 CG1 VAL A 41 -4.732 15.718 1.759 1.00 5.14 C ATOM 685 CG2 VAL A 41 -6.765 15.109 0.427 1.00 62.44 C ATOM 0 H VAL A 41 -5.379 15.378 -2.714 1.00 54.24 H new ATOM 0 HA VAL A 41 -4.797 16.497 -0.925 1.00 41.22 H new ATOM 0 HB VAL A 41 -5.018 13.907 0.667 1.00 45.14 H new ATOM 0 HG11 VAL A 41 -5.242 15.360 2.653 1.00 5.14 H new ATOM 0 HG12 VAL A 41 -3.660 15.549 1.860 1.00 5.14 H new ATOM 0 HG13 VAL A 41 -4.922 16.784 1.636 1.00 5.14 H new ATOM 0 HG21 VAL A 41 -7.232 14.767 1.351 1.00 62.44 H new ATOM 0 HG22 VAL A 41 -7.018 16.156 0.258 1.00 62.44 H new ATOM 0 HG23 VAL A 41 -7.129 14.509 -0.407 1.00 62.44 H new ATOM 695 N SER A 42 -2.543 14.113 -0.554 1.00 3.45 N ATOM 696 CA SER A 42 -1.144 13.824 -0.424 1.00 45.11 C ATOM 697 C SER A 42 -0.352 14.292 -1.660 1.00 2.15 C ATOM 698 O SER A 42 -0.844 14.231 -2.784 1.00 44.13 O ATOM 699 CB SER A 42 -0.959 12.339 -0.136 1.00 31.34 C ATOM 700 OG SER A 42 -1.547 12.009 1.120 1.00 32.33 O ATOM 0 H SER A 42 -3.131 13.280 -0.584 1.00 3.45 H new ATOM 0 HA SER A 42 -0.738 14.385 0.418 1.00 45.11 H new ATOM 0 HB2 SER A 42 -1.417 11.747 -0.928 1.00 31.34 H new ATOM 0 HB3 SER A 42 0.102 12.092 -0.126 1.00 31.34 H new ATOM 0 HG SER A 42 -2.375 11.507 0.972 1.00 32.33 H new ATOM 706 N ARG A 43 0.879 14.725 -1.412 1.00 14.01 N ATOM 707 CA ARG A 43 1.771 15.380 -2.401 1.00 11.21 C ATOM 708 C ARG A 43 2.067 14.555 -3.670 1.00 12.24 C ATOM 709 O ARG A 43 2.566 15.101 -4.648 1.00 4.04 O ATOM 710 CB ARG A 43 3.096 15.726 -1.733 1.00 22.50 C ATOM 711 CG ARG A 43 3.853 14.505 -1.246 1.00 14.42 C ATOM 712 CD ARG A 43 5.145 14.880 -0.580 1.00 44.44 C ATOM 713 NE ARG A 43 5.864 13.701 -0.105 1.00 25.30 N ATOM 714 CZ ARG A 43 7.188 13.618 0.009 1.00 14.01 C ATOM 715 NH1 ARG A 43 7.955 14.658 -0.301 1.00 11.10 N ATOM 716 NH2 ARG A 43 7.741 12.495 0.441 1.00 33.42 N ATOM 0 H ARG A 43 1.311 14.634 -0.492 1.00 14.01 H new ATOM 0 HA ARG A 43 1.227 16.264 -2.734 1.00 11.21 H new ATOM 0 HB2 ARG A 43 3.719 16.275 -2.439 1.00 22.50 H new ATOM 0 HB3 ARG A 43 2.908 16.390 -0.889 1.00 22.50 H new ATOM 0 HG2 ARG A 43 3.231 13.947 -0.546 1.00 14.42 H new ATOM 0 HG3 ARG A 43 4.057 13.844 -2.088 1.00 14.42 H new ATOM 0 HD2 ARG A 43 5.771 15.431 -1.282 1.00 44.44 H new ATOM 0 HD3 ARG A 43 4.943 15.547 0.258 1.00 44.44 H new ATOM 0 HE ARG A 43 5.313 12.884 0.158 1.00 25.30 H new ATOM 0 HH11 ARG A 43 7.530 15.526 -0.628 1.00 11.10 H new ATOM 0 HH12 ARG A 43 8.969 14.589 -0.212 1.00 11.10 H new ATOM 0 HH21 ARG A 43 7.153 11.698 0.685 1.00 33.42 H new ATOM 0 HH22 ARG A 43 8.755 12.427 0.530 1.00 33.42 H new ATOM 730 N TYR A 44 1.800 13.265 -3.652 1.00 33.22 N ATOM 731 CA TYR A 44 2.092 12.450 -4.818 1.00 34.23 C ATOM 732 C TYR A 44 1.157 12.712 -5.969 1.00 44.22 C ATOM 733 O TYR A 44 1.623 12.960 -7.076 1.00 64.34 O ATOM 734 CB TYR A 44 2.252 10.971 -4.481 1.00 50.54 C ATOM 735 CG TYR A 44 3.582 10.689 -3.828 1.00 64.41 C ATOM 736 CD1 TYR A 44 3.766 10.869 -2.478 1.00 42.30 C ATOM 737 CD2 TYR A 44 4.668 10.263 -4.588 1.00 24.33 C ATOM 738 CE1 TYR A 44 4.993 10.636 -1.891 1.00 34.34 C ATOM 739 CE2 TYR A 44 5.897 10.022 -4.008 1.00 13.34 C ATOM 740 CZ TYR A 44 6.052 10.209 -2.658 1.00 13.34 C ATOM 741 OH TYR A 44 7.275 9.974 -2.063 1.00 42.14 O ATOM 0 H TYR A 44 1.390 12.765 -2.863 1.00 33.22 H new ATOM 0 HA TYR A 44 3.072 12.770 -5.173 1.00 34.23 H new ATOM 0 HB2 TYR A 44 1.447 10.660 -3.816 1.00 50.54 H new ATOM 0 HB3 TYR A 44 2.160 10.378 -5.391 1.00 50.54 H new ATOM 0 HD1 TYR A 44 2.938 11.198 -1.867 1.00 42.30 H new ATOM 0 HD2 TYR A 44 4.546 10.118 -5.651 1.00 24.33 H new ATOM 0 HE1 TYR A 44 5.122 10.789 -0.830 1.00 34.34 H new ATOM 0 HE2 TYR A 44 6.729 9.689 -4.611 1.00 13.34 H new ATOM 0 HH TYR A 44 7.917 9.677 -2.741 1.00 42.14 H new ATOM 751 N ARG A 45 -0.147 12.687 -5.702 1.00 25.40 N ATOM 752 CA ARG A 45 -1.179 13.039 -6.700 1.00 42.33 C ATOM 753 C ARG A 45 -0.992 12.307 -8.041 1.00 72.00 C ATOM 754 O ARG A 45 -0.387 12.839 -8.976 1.00 75.13 O ATOM 755 CB ARG A 45 -1.192 14.558 -6.910 1.00 1.41 C ATOM 756 CG ARG A 45 -1.519 15.342 -5.653 1.00 35.02 C ATOM 757 CD ARG A 45 -1.216 16.818 -5.816 1.00 25.33 C ATOM 758 NE ARG A 45 -1.945 17.435 -6.918 1.00 40.23 N ATOM 759 CZ ARG A 45 -1.740 18.687 -7.344 1.00 5.24 C ATOM 760 NH1 ARG A 45 -0.845 19.458 -6.739 1.00 22.34 N ATOM 761 NH2 ARG A 45 -2.433 19.164 -8.374 1.00 10.44 N ATOM 0 H ARG A 45 -0.527 12.424 -4.793 1.00 25.40 H new ATOM 0 HA ARG A 45 -2.141 12.711 -6.305 1.00 42.33 H new ATOM 0 HB2 ARG A 45 -0.217 14.873 -7.282 1.00 1.41 H new ATOM 0 HB3 ARG A 45 -1.922 14.804 -7.681 1.00 1.41 H new ATOM 0 HG2 ARG A 45 -2.573 15.212 -5.407 1.00 35.02 H new ATOM 0 HG3 ARG A 45 -0.945 14.943 -4.816 1.00 35.02 H new ATOM 0 HD2 ARG A 45 -1.462 17.337 -4.890 1.00 25.33 H new ATOM 0 HD3 ARG A 45 -0.146 16.947 -5.979 1.00 25.33 H new ATOM 0 HE ARG A 45 -2.655 16.878 -7.393 1.00 40.23 H new ATOM 0 HH11 ARG A 45 -0.312 19.097 -5.948 1.00 22.34 H new ATOM 0 HH12 ARG A 45 -0.690 20.412 -7.065 1.00 22.34 H new ATOM 0 HH21 ARG A 45 -3.123 18.575 -8.841 1.00 10.44 H new ATOM 0 HH22 ARG A 45 -2.275 20.119 -8.697 1.00 10.44 H new ATOM 775 N GLY A 46 -1.454 11.086 -8.109 1.00 24.31 N ATOM 776 CA GLY A 46 -1.327 10.324 -9.335 1.00 31.33 C ATOM 777 C GLY A 46 -0.038 9.529 -9.394 1.00 13.24 C ATOM 778 O GLY A 46 0.275 8.919 -10.421 1.00 70.21 O ATOM 0 H GLY A 46 -1.917 10.598 -7.343 1.00 24.31 H new ATOM 0 HA2 GLY A 46 -2.174 9.644 -9.425 1.00 31.33 H new ATOM 0 HA3 GLY A 46 -1.371 11.003 -10.187 1.00 31.33 H new ATOM 782 N GLN A 47 0.707 9.549 -8.314 1.00 73.44 N ATOM 783 CA GLN A 47 1.951 8.804 -8.206 1.00 71.23 C ATOM 784 C GLN A 47 1.831 7.814 -7.068 1.00 71.31 C ATOM 785 O GLN A 47 1.040 8.033 -6.138 1.00 24.42 O ATOM 786 CB GLN A 47 3.132 9.745 -7.996 1.00 23.23 C ATOM 787 CG GLN A 47 3.325 10.747 -9.119 1.00 61.25 C ATOM 788 CD GLN A 47 4.464 11.688 -8.851 1.00 74.44 C ATOM 789 OE1 GLN A 47 5.597 11.430 -9.220 1.00 10.01 O ATOM 790 NE2 GLN A 47 4.177 12.779 -8.196 1.00 53.43 N ATOM 0 H GLN A 47 0.471 10.084 -7.478 1.00 73.44 H new ATOM 0 HA GLN A 47 2.133 8.263 -9.134 1.00 71.23 H new ATOM 0 HB2 GLN A 47 2.992 10.285 -7.060 1.00 23.23 H new ATOM 0 HB3 GLN A 47 4.041 9.153 -7.889 1.00 23.23 H new ATOM 0 HG2 GLN A 47 3.509 10.214 -10.052 1.00 61.25 H new ATOM 0 HG3 GLN A 47 2.407 11.319 -9.254 1.00 61.25 H new ATOM 0 HE21 GLN A 47 3.217 12.961 -7.904 1.00 53.43 H new ATOM 0 HE22 GLN A 47 4.913 13.450 -7.976 1.00 53.43 H new ATOM 799 N GLU A 48 2.592 6.747 -7.117 1.00 72.32 N ATOM 800 CA GLU A 48 2.440 5.700 -6.135 1.00 31.30 C ATOM 801 C GLU A 48 3.562 5.691 -5.100 1.00 31.15 C ATOM 802 O GLU A 48 4.673 6.171 -5.348 1.00 63.41 O ATOM 803 CB GLU A 48 2.382 4.295 -6.779 1.00 31.33 C ATOM 804 CG GLU A 48 1.333 4.066 -7.875 1.00 41.42 C ATOM 805 CD GLU A 48 1.704 4.664 -9.204 1.00 11.04 C ATOM 806 OE1 GLU A 48 2.662 4.178 -9.839 1.00 11.34 O ATOM 807 OE2 GLU A 48 1.057 5.619 -9.645 1.00 53.21 O ATOM 0 H GLU A 48 3.315 6.581 -7.817 1.00 72.32 H new ATOM 0 HA GLU A 48 1.494 5.923 -5.642 1.00 31.30 H new ATOM 0 HB2 GLU A 48 3.363 4.076 -7.200 1.00 31.33 H new ATOM 0 HB3 GLU A 48 2.206 3.568 -5.986 1.00 31.33 H new ATOM 0 HG2 GLU A 48 1.179 2.994 -8.000 1.00 41.42 H new ATOM 0 HG3 GLU A 48 0.383 4.489 -7.549 1.00 41.42 H new ATOM 814 N HIS A 49 3.243 5.138 -3.946 1.00 63.22 N ATOM 815 CA HIS A 49 4.211 4.835 -2.894 1.00 61.55 C ATOM 816 C HIS A 49 4.345 3.329 -2.938 1.00 62.21 C ATOM 817 O HIS A 49 3.417 2.667 -3.403 1.00 25.33 O ATOM 818 CB HIS A 49 3.679 5.164 -1.480 1.00 12.33 C ATOM 819 CG HIS A 49 3.267 6.575 -1.171 1.00 41.32 C ATOM 820 ND1 HIS A 49 3.969 7.384 -0.307 1.00 11.11 N ATOM 821 CD2 HIS A 49 2.147 7.262 -1.488 1.00 30.42 C ATOM 822 CE1 HIS A 49 3.300 8.487 -0.102 1.00 63.23 C ATOM 823 NE2 HIS A 49 2.191 8.446 -0.804 1.00 43.02 N ATOM 0 H HIS A 49 2.287 4.879 -3.703 1.00 63.22 H new ATOM 0 HA HIS A 49 5.124 5.407 -3.059 1.00 61.55 H new ATOM 0 HB2 HIS A 49 2.819 4.521 -1.293 1.00 12.33 H new ATOM 0 HB3 HIS A 49 4.450 4.881 -0.763 1.00 12.33 H new ATOM 0 HD2 HIS A 49 1.364 6.937 -2.157 1.00 30.42 H new ATOM 0 HE1 HIS A 49 3.608 9.299 0.539 1.00 63.23 H new ATOM 0 HE2 HIS A 49 1.480 9.176 -0.834 1.00 43.02 H new ATOM 832 N CYS A 50 5.423 2.762 -2.472 1.00 1.22 N ATOM 833 CA CYS A 50 5.481 1.325 -2.483 1.00 61.21 C ATOM 834 C CYS A 50 6.113 0.769 -1.234 1.00 31.22 C ATOM 835 O CYS A 50 7.206 1.181 -0.834 1.00 41.33 O ATOM 836 CB CYS A 50 6.109 0.744 -3.781 1.00 33.41 C ATOM 837 SG CYS A 50 7.836 1.215 -4.125 1.00 32.43 S ATOM 0 H CYS A 50 6.239 3.244 -2.096 1.00 1.22 H new ATOM 0 HA CYS A 50 4.445 0.986 -2.486 1.00 61.21 H new ATOM 0 HB2 CYS A 50 6.055 -0.343 -3.730 1.00 33.41 H new ATOM 0 HB3 CYS A 50 5.495 1.054 -4.626 1.00 33.41 H new ATOM 842 N LEU A 51 5.398 -0.136 -0.603 1.00 13.25 N ATOM 843 CA LEU A 51 5.871 -0.802 0.588 1.00 53.11 C ATOM 844 C LEU A 51 6.620 -2.015 0.215 1.00 72.32 C ATOM 845 O LEU A 51 6.283 -2.707 -0.761 1.00 43.20 O ATOM 846 CB LEU A 51 4.739 -1.191 1.542 1.00 25.52 C ATOM 847 CG LEU A 51 3.993 -0.060 2.187 1.00 1.21 C ATOM 848 CD1 LEU A 51 2.753 -0.578 2.890 1.00 72.51 C ATOM 849 CD2 LEU A 51 4.869 0.652 3.190 1.00 52.23 C ATOM 0 H LEU A 51 4.469 -0.431 -0.903 1.00 13.25 H new ATOM 0 HA LEU A 51 6.514 -0.093 1.111 1.00 53.11 H new ATOM 0 HB2 LEU A 51 4.024 -1.803 0.992 1.00 25.52 H new ATOM 0 HB3 LEU A 51 5.156 -1.819 2.330 1.00 25.52 H new ATOM 0 HG LEU A 51 3.702 0.640 1.404 1.00 1.21 H new ATOM 0 HD11 LEU A 51 2.223 0.254 3.353 1.00 72.51 H new ATOM 0 HD12 LEU A 51 2.101 -1.066 2.165 1.00 72.51 H new ATOM 0 HD13 LEU A 51 3.043 -1.295 3.658 1.00 72.51 H new ATOM 0 HD21 LEU A 51 4.310 1.469 3.647 1.00 52.23 H new ATOM 0 HD22 LEU A 51 5.182 -0.050 3.963 1.00 52.23 H new ATOM 0 HD23 LEU A 51 5.749 1.052 2.686 1.00 52.23 H new ATOM 861 N HIS A 52 7.628 -2.259 0.947 1.00 3.35 N ATOM 862 CA HIS A 52 8.447 -3.416 0.738 1.00 22.11 C ATOM 863 C HIS A 52 7.747 -4.607 1.424 1.00 31.03 C ATOM 864 O HIS A 52 7.630 -4.642 2.651 1.00 75.52 O ATOM 865 CB HIS A 52 9.852 -3.179 1.305 1.00 65.04 C ATOM 866 CG HIS A 52 10.871 -4.149 0.819 1.00 14.40 C ATOM 867 ND1 HIS A 52 11.478 -5.076 1.616 1.00 42.40 N ATOM 868 CD2 HIS A 52 11.410 -4.307 -0.410 1.00 52.52 C ATOM 869 CE1 HIS A 52 12.338 -5.764 0.901 1.00 74.52 C ATOM 870 NE2 HIS A 52 12.315 -5.314 -0.326 1.00 21.33 N ATOM 0 H HIS A 52 7.926 -1.666 1.721 1.00 3.35 H new ATOM 0 HA HIS A 52 8.568 -3.626 -0.325 1.00 22.11 H new ATOM 0 HB2 HIS A 52 10.172 -2.170 1.045 1.00 65.04 H new ATOM 0 HB3 HIS A 52 9.807 -3.229 2.393 1.00 65.04 H new ATOM 0 HD2 HIS A 52 11.166 -3.738 -1.295 1.00 52.52 H new ATOM 0 HE1 HIS A 52 12.960 -6.568 1.266 1.00 74.52 H new ATOM 0 HE2 HIS A 52 12.885 -5.664 -1.096 1.00 21.33 H new ATOM 879 N PRO A 53 7.273 -5.590 0.639 1.00 52.10 N ATOM 880 CA PRO A 53 6.421 -6.696 1.139 1.00 5.35 C ATOM 881 C PRO A 53 7.125 -7.683 2.067 1.00 71.20 C ATOM 882 O PRO A 53 6.505 -8.604 2.584 1.00 60.23 O ATOM 883 CB PRO A 53 5.960 -7.394 -0.134 1.00 11.34 C ATOM 884 CG PRO A 53 7.009 -7.087 -1.142 1.00 25.10 C ATOM 885 CD PRO A 53 7.517 -5.712 -0.816 1.00 13.14 C ATOM 0 HA PRO A 53 5.616 -6.302 1.759 1.00 5.35 H new ATOM 0 HB2 PRO A 53 5.862 -8.469 0.019 1.00 11.34 H new ATOM 0 HB3 PRO A 53 4.985 -7.027 -0.455 1.00 11.34 H new ATOM 0 HG2 PRO A 53 7.815 -7.819 -1.100 1.00 25.10 H new ATOM 0 HG3 PRO A 53 6.600 -7.121 -2.152 1.00 25.10 H new ATOM 0 HD2 PRO A 53 8.575 -5.608 -1.056 1.00 13.14 H new ATOM 0 HD3 PRO A 53 6.986 -4.944 -1.378 1.00 13.14 H new ATOM 893 N LYS A 54 8.398 -7.486 2.288 1.00 11.41 N ATOM 894 CA LYS A 54 9.164 -8.367 3.142 1.00 62.34 C ATOM 895 C LYS A 54 8.933 -8.048 4.621 1.00 72.14 C ATOM 896 O LYS A 54 9.260 -8.841 5.510 1.00 72.43 O ATOM 897 CB LYS A 54 10.626 -8.278 2.790 1.00 1.31 C ATOM 898 CG LYS A 54 10.872 -8.644 1.350 1.00 4.23 C ATOM 899 CD LYS A 54 10.516 -10.075 1.053 1.00 43.15 C ATOM 900 CE LYS A 54 10.506 -10.329 -0.432 1.00 43.14 C ATOM 901 NZ LYS A 54 10.177 -11.732 -0.748 1.00 35.24 N ATOM 0 H LYS A 54 8.934 -6.717 1.886 1.00 11.41 H new ATOM 0 HA LYS A 54 8.826 -9.390 2.976 1.00 62.34 H new ATOM 0 HB2 LYS A 54 10.985 -7.265 2.975 1.00 1.31 H new ATOM 0 HB3 LYS A 54 11.198 -8.942 3.438 1.00 1.31 H new ATOM 0 HG2 LYS A 54 10.288 -7.986 0.706 1.00 4.23 H new ATOM 0 HG3 LYS A 54 11.922 -8.476 1.110 1.00 4.23 H new ATOM 0 HD2 LYS A 54 11.233 -10.740 1.535 1.00 43.15 H new ATOM 0 HD3 LYS A 54 9.536 -10.305 1.472 1.00 43.15 H new ATOM 0 HE2 LYS A 54 9.780 -9.670 -0.908 1.00 43.14 H new ATOM 0 HE3 LYS A 54 11.482 -10.082 -0.849 1.00 43.14 H new ATOM 0 HZ1 LYS A 54 10.393 -11.923 -1.747 1.00 35.24 H new ATOM 0 HZ2 LYS A 54 10.741 -12.365 -0.145 1.00 35.24 H new ATOM 0 HZ3 LYS A 54 9.165 -11.899 -0.574 1.00 35.24 H new ATOM 915 N LEU A 55 8.347 -6.889 4.874 1.00 52.00 N ATOM 916 CA LEU A 55 8.085 -6.431 6.229 1.00 24.32 C ATOM 917 C LEU A 55 6.790 -7.026 6.744 1.00 14.31 C ATOM 918 O LEU A 55 5.803 -7.108 6.010 1.00 43.25 O ATOM 919 CB LEU A 55 7.979 -4.902 6.264 1.00 0.11 C ATOM 920 CG LEU A 55 9.225 -4.119 5.854 1.00 65.52 C ATOM 921 CD1 LEU A 55 8.925 -2.632 5.845 1.00 22.04 C ATOM 922 CD2 LEU A 55 10.376 -4.415 6.803 1.00 34.31 C ATOM 0 H LEU A 55 8.040 -6.241 4.149 1.00 52.00 H new ATOM 0 HA LEU A 55 8.912 -6.753 6.862 1.00 24.32 H new ATOM 0 HB2 LEU A 55 7.159 -4.603 5.611 1.00 0.11 H new ATOM 0 HB3 LEU A 55 7.707 -4.603 7.276 1.00 0.11 H new ATOM 0 HG LEU A 55 9.516 -4.428 4.850 1.00 65.52 H new ATOM 0 HD11 LEU A 55 9.819 -2.082 5.552 1.00 22.04 H new ATOM 0 HD12 LEU A 55 8.124 -2.427 5.135 1.00 22.04 H new ATOM 0 HD13 LEU A 55 8.616 -2.317 6.842 1.00 22.04 H new ATOM 0 HD21 LEU A 55 11.255 -3.849 6.496 1.00 34.31 H new ATOM 0 HD22 LEU A 55 10.095 -4.128 7.816 1.00 34.31 H new ATOM 0 HD23 LEU A 55 10.604 -5.481 6.778 1.00 34.31 H new ATOM 934 N GLN A 56 6.792 -7.418 8.002 1.00 21.25 N ATOM 935 CA GLN A 56 5.622 -8.015 8.638 1.00 20.53 C ATOM 936 C GLN A 56 4.526 -6.963 8.810 1.00 42.12 C ATOM 937 O GLN A 56 3.332 -7.275 8.788 1.00 71.24 O ATOM 938 CB GLN A 56 6.012 -8.642 9.981 1.00 65.31 C ATOM 939 CG GLN A 56 7.079 -9.727 9.847 1.00 15.40 C ATOM 940 CD GLN A 56 7.470 -10.352 11.171 1.00 31.13 C ATOM 941 OE1 GLN A 56 8.383 -9.882 11.849 1.00 22.40 O ATOM 942 NE2 GLN A 56 6.810 -11.419 11.538 1.00 52.10 N ATOM 0 H GLN A 56 7.601 -7.334 8.617 1.00 21.25 H new ATOM 0 HA GLN A 56 5.231 -8.808 8.001 1.00 20.53 H new ATOM 0 HB2 GLN A 56 6.378 -7.861 10.647 1.00 65.31 H new ATOM 0 HB3 GLN A 56 5.124 -9.069 10.448 1.00 65.31 H new ATOM 0 HG2 GLN A 56 6.712 -10.507 9.180 1.00 15.40 H new ATOM 0 HG3 GLN A 56 7.966 -9.299 9.380 1.00 15.40 H new ATOM 0 HE21 GLN A 56 6.059 -11.781 10.951 1.00 52.10 H new ATOM 0 HE22 GLN A 56 7.046 -11.890 12.412 1.00 52.10 H new ATOM 951 N SER A 57 4.957 -5.711 8.944 1.00 74.34 N ATOM 952 CA SER A 57 4.087 -4.552 9.067 1.00 24.40 C ATOM 953 C SER A 57 3.160 -4.465 7.862 1.00 65.01 C ATOM 954 O SER A 57 1.960 -4.135 7.989 1.00 73.51 O ATOM 955 CB SER A 57 4.954 -3.281 9.160 1.00 62.25 C ATOM 956 OG SER A 57 4.174 -2.106 9.290 1.00 32.34 O ATOM 0 H SER A 57 5.948 -5.472 8.970 1.00 74.34 H new ATOM 0 HA SER A 57 3.478 -4.646 9.966 1.00 24.40 H new ATOM 0 HB2 SER A 57 5.626 -3.364 10.014 1.00 62.25 H new ATOM 0 HB3 SER A 57 5.578 -3.204 8.270 1.00 62.25 H new ATOM 0 HG SER A 57 4.765 -1.326 9.347 1.00 32.34 H new ATOM 962 N THR A 58 3.709 -4.804 6.711 1.00 63.42 N ATOM 963 CA THR A 58 3.000 -4.772 5.475 1.00 62.53 C ATOM 964 C THR A 58 1.793 -5.727 5.530 1.00 13.42 C ATOM 965 O THR A 58 0.716 -5.407 5.044 1.00 65.54 O ATOM 966 CB THR A 58 3.949 -5.176 4.329 1.00 64.24 C ATOM 967 OG1 THR A 58 5.141 -4.364 4.400 1.00 70.54 O ATOM 968 CG2 THR A 58 3.288 -4.956 2.989 1.00 52.12 C ATOM 0 H THR A 58 4.677 -5.113 6.622 1.00 63.42 H new ATOM 0 HA THR A 58 2.632 -3.762 5.297 1.00 62.53 H new ATOM 0 HB THR A 58 4.197 -6.232 4.432 1.00 64.24 H new ATOM 0 HG1 THR A 58 5.785 -4.668 3.727 1.00 70.54 H new ATOM 0 HG21 THR A 58 3.973 -5.247 2.193 1.00 52.12 H new ATOM 0 HG22 THR A 58 2.382 -5.559 2.927 1.00 52.12 H new ATOM 0 HG23 THR A 58 3.030 -3.903 2.879 1.00 52.12 H new ATOM 976 N LYS A 59 1.972 -6.877 6.182 1.00 62.44 N ATOM 977 CA LYS A 59 0.916 -7.867 6.298 1.00 51.32 C ATOM 978 C LYS A 59 -0.283 -7.357 7.069 1.00 5.53 C ATOM 979 O LYS A 59 -1.419 -7.740 6.769 1.00 3.01 O ATOM 980 CB LYS A 59 1.417 -9.205 6.835 1.00 72.30 C ATOM 981 CG LYS A 59 2.248 -10.016 5.834 1.00 52.40 C ATOM 982 CD LYS A 59 3.555 -9.341 5.433 1.00 61.41 C ATOM 983 CE LYS A 59 4.321 -10.164 4.400 1.00 4.31 C ATOM 984 NZ LYS A 59 4.712 -11.493 4.911 1.00 15.33 N ATOM 0 H LYS A 59 2.846 -7.141 6.638 1.00 62.44 H new ATOM 0 HA LYS A 59 0.573 -8.052 5.280 1.00 51.32 H new ATOM 0 HB2 LYS A 59 2.019 -9.023 7.726 1.00 72.30 H new ATOM 0 HB3 LYS A 59 0.560 -9.802 7.146 1.00 72.30 H new ATOM 0 HG2 LYS A 59 2.471 -10.991 6.266 1.00 52.40 H new ATOM 0 HG3 LYS A 59 1.651 -10.193 4.939 1.00 52.40 H new ATOM 0 HD2 LYS A 59 3.344 -8.352 5.027 1.00 61.41 H new ATOM 0 HD3 LYS A 59 4.176 -9.197 6.317 1.00 61.41 H new ATOM 0 HE2 LYS A 59 3.704 -10.288 3.510 1.00 4.31 H new ATOM 0 HE3 LYS A 59 5.214 -9.618 4.096 1.00 4.31 H new ATOM 0 HZ1 LYS A 59 5.369 -11.943 4.242 1.00 15.33 H new ATOM 0 HZ2 LYS A 59 5.178 -11.386 5.835 1.00 15.33 H new ATOM 0 HZ3 LYS A 59 3.865 -12.087 5.017 1.00 15.33 H new ATOM 998 N ARG A 60 -0.069 -6.487 8.057 1.00 42.24 N ATOM 999 CA ARG A 60 -1.193 -5.886 8.688 1.00 40.04 C ATOM 1000 C ARG A 60 -1.819 -4.902 7.776 1.00 12.14 C ATOM 1001 O ARG A 60 -2.967 -5.006 7.497 1.00 52.43 O ATOM 1002 CB ARG A 60 -0.907 -5.209 10.030 1.00 51.12 C ATOM 1003 CG ARG A 60 -0.732 -6.130 11.212 1.00 11.42 C ATOM 1004 CD ARG A 60 0.645 -6.749 11.270 1.00 54.22 C ATOM 1005 NE ARG A 60 1.670 -5.728 11.546 1.00 72.02 N ATOM 1006 CZ ARG A 60 2.884 -5.981 12.048 1.00 64.30 C ATOM 1007 NH1 ARG A 60 3.289 -7.227 12.219 1.00 3.42 N ATOM 1008 NH2 ARG A 60 3.689 -4.977 12.351 1.00 23.31 N ATOM 0 H ARG A 60 0.845 -6.205 8.412 1.00 42.24 H new ATOM 0 HA ARG A 60 -1.865 -6.715 8.909 1.00 40.04 H new ATOM 0 HB2 ARG A 60 -0.003 -4.608 9.926 1.00 51.12 H new ATOM 0 HB3 ARG A 60 -1.724 -4.521 10.249 1.00 51.12 H new ATOM 0 HG2 ARG A 60 -0.915 -5.573 12.131 1.00 11.42 H new ATOM 0 HG3 ARG A 60 -1.480 -6.921 11.165 1.00 11.42 H new ATOM 0 HD2 ARG A 60 0.671 -7.515 12.045 1.00 54.22 H new ATOM 0 HD3 ARG A 60 0.865 -7.245 10.325 1.00 54.22 H new ATOM 0 HE ARG A 60 1.437 -4.757 11.339 1.00 72.02 H new ATOM 0 HH11 ARG A 60 2.675 -8.002 11.968 1.00 3.42 H new ATOM 0 HH12 ARG A 60 4.216 -7.414 12.602 1.00 3.42 H new ATOM 0 HH21 ARG A 60 3.383 -4.015 12.202 1.00 23.31 H new ATOM 0 HH22 ARG A 60 4.616 -5.164 12.734 1.00 23.31 H new ATOM 1022 N PHE A 61 -1.018 -3.990 7.257 1.00 42.40 N ATOM 1023 CA PHE A 61 -1.509 -2.879 6.449 1.00 34.10 C ATOM 1024 C PHE A 61 -2.332 -3.364 5.252 1.00 52.23 C ATOM 1025 O PHE A 61 -3.368 -2.802 4.946 1.00 24.05 O ATOM 1026 CB PHE A 61 -0.341 -2.037 5.972 1.00 2.41 C ATOM 1027 CG PHE A 61 -0.717 -0.661 5.455 1.00 54.24 C ATOM 1028 CD1 PHE A 61 -1.052 0.343 6.350 1.00 31.33 C ATOM 1029 CD2 PHE A 61 -0.708 -0.362 4.102 1.00 43.33 C ATOM 1030 CE1 PHE A 61 -1.367 1.613 5.911 1.00 54.02 C ATOM 1031 CE2 PHE A 61 -1.030 0.916 3.657 1.00 62.20 C ATOM 1032 CZ PHE A 61 -1.358 1.904 4.570 1.00 14.11 C ATOM 0 H PHE A 61 -0.006 -3.995 7.382 1.00 42.40 H new ATOM 0 HA PHE A 61 -2.166 -2.275 7.075 1.00 34.10 H new ATOM 0 HB2 PHE A 61 0.364 -1.920 6.795 1.00 2.41 H new ATOM 0 HB3 PHE A 61 0.179 -2.577 5.181 1.00 2.41 H new ATOM 0 HD1 PHE A 61 -1.067 0.128 7.408 1.00 31.33 H new ATOM 0 HD2 PHE A 61 -0.449 -1.128 3.386 1.00 43.33 H new ATOM 0 HE1 PHE A 61 -1.622 2.381 6.626 1.00 54.02 H new ATOM 0 HE2 PHE A 61 -1.024 1.138 2.600 1.00 62.20 H new ATOM 0 HZ PHE A 61 -1.605 2.898 4.229 1.00 14.11 H new ATOM 1042 N ILE A 62 -1.875 -4.426 4.605 1.00 70.03 N ATOM 1043 CA ILE A 62 -2.573 -4.973 3.448 1.00 61.14 C ATOM 1044 C ILE A 62 -3.884 -5.618 3.864 1.00 30.43 C ATOM 1045 O ILE A 62 -4.945 -5.319 3.307 1.00 25.14 O ATOM 1046 CB ILE A 62 -1.713 -6.010 2.680 1.00 13.22 C ATOM 1047 CG1 ILE A 62 -0.395 -5.385 2.238 1.00 71.42 C ATOM 1048 CG2 ILE A 62 -2.470 -6.541 1.474 1.00 75.21 C ATOM 1049 CD1 ILE A 62 -0.563 -4.125 1.442 1.00 44.13 C ATOM 0 H ILE A 62 -1.024 -4.927 4.861 1.00 70.03 H new ATOM 0 HA ILE A 62 -2.772 -4.135 2.780 1.00 61.14 H new ATOM 0 HB ILE A 62 -1.499 -6.842 3.351 1.00 13.22 H new ATOM 0 HG12 ILE A 62 0.209 -5.170 3.120 1.00 71.42 H new ATOM 0 HG13 ILE A 62 0.159 -6.110 1.642 1.00 71.42 H new ATOM 0 HG21 ILE A 62 -1.851 -7.267 0.947 1.00 75.21 H new ATOM 0 HG22 ILE A 62 -3.391 -7.021 1.805 1.00 75.21 H new ATOM 0 HG23 ILE A 62 -2.711 -5.716 0.804 1.00 75.21 H new ATOM 0 HD11 ILE A 62 0.417 -3.738 1.163 1.00 44.13 H new ATOM 0 HD12 ILE A 62 -1.139 -4.338 0.542 1.00 44.13 H new ATOM 0 HD13 ILE A 62 -1.089 -3.383 2.042 1.00 44.13 H new ATOM 1061 N LYS A 63 -3.813 -6.478 4.863 1.00 20.21 N ATOM 1062 CA LYS A 63 -5.014 -7.182 5.354 1.00 12.51 C ATOM 1063 C LYS A 63 -5.981 -6.205 5.989 1.00 52.23 C ATOM 1064 O LYS A 63 -7.199 -6.376 5.921 1.00 23.12 O ATOM 1065 CB LYS A 63 -4.657 -8.298 6.362 1.00 50.23 C ATOM 1066 CG LYS A 63 -4.210 -9.700 5.821 1.00 33.11 C ATOM 1067 CD LYS A 63 -3.038 -9.701 4.829 1.00 65.14 C ATOM 1068 CE LYS A 63 -3.469 -9.318 3.414 1.00 31.05 C ATOM 1069 NZ LYS A 63 -4.449 -10.276 2.847 1.00 42.11 N ATOM 0 H LYS A 63 -2.951 -6.714 5.355 1.00 20.21 H new ATOM 0 HA LYS A 63 -5.488 -7.649 4.491 1.00 12.51 H new ATOM 0 HB2 LYS A 63 -3.857 -7.921 6.999 1.00 50.23 H new ATOM 0 HB3 LYS A 63 -5.526 -8.454 7.001 1.00 50.23 H new ATOM 0 HG2 LYS A 63 -3.939 -10.325 6.672 1.00 33.11 H new ATOM 0 HG3 LYS A 63 -5.067 -10.171 5.339 1.00 33.11 H new ATOM 0 HD2 LYS A 63 -2.274 -9.004 5.174 1.00 65.14 H new ATOM 0 HD3 LYS A 63 -2.582 -10.691 4.811 1.00 65.14 H new ATOM 0 HE2 LYS A 63 -3.906 -8.319 3.427 1.00 31.05 H new ATOM 0 HE3 LYS A 63 -2.592 -9.274 2.769 1.00 31.05 H new ATOM 0 HZ1 LYS A 63 -4.447 -10.202 1.810 1.00 42.11 H new ATOM 0 HZ2 LYS A 63 -4.190 -11.244 3.126 1.00 42.11 H new ATOM 0 HZ3 LYS A 63 -5.399 -10.055 3.208 1.00 42.11 H new ATOM 1083 N TRP A 64 -5.434 -5.175 6.573 1.00 64.52 N ATOM 1084 CA TRP A 64 -6.207 -4.181 7.254 1.00 44.40 C ATOM 1085 C TRP A 64 -6.867 -3.293 6.215 1.00 44.04 C ATOM 1086 O TRP A 64 -8.017 -2.912 6.370 1.00 62.15 O ATOM 1087 CB TRP A 64 -5.303 -3.347 8.160 1.00 4.33 C ATOM 1088 CG TRP A 64 -5.944 -2.879 9.428 1.00 61.40 C ATOM 1089 CD1 TRP A 64 -5.662 -3.342 10.683 1.00 24.15 C ATOM 1090 CD2 TRP A 64 -6.970 -1.881 9.589 1.00 74.50 C ATOM 1091 NE1 TRP A 64 -6.441 -2.693 11.603 1.00 41.23 N ATOM 1092 CE2 TRP A 64 -7.248 -1.794 10.959 1.00 62.33 C ATOM 1093 CE3 TRP A 64 -7.670 -1.053 8.709 1.00 60.10 C ATOM 1094 CZ2 TRP A 64 -8.199 -0.917 11.469 1.00 24.12 C ATOM 1095 CZ3 TRP A 64 -8.609 -0.187 9.215 1.00 50.40 C ATOM 1096 CH2 TRP A 64 -8.863 -0.123 10.583 1.00 40.11 C ATOM 0 H TRP A 64 -4.429 -5.003 6.588 1.00 64.52 H new ATOM 0 HA TRP A 64 -6.967 -4.657 7.873 1.00 44.40 H new ATOM 0 HB2 TRP A 64 -4.421 -3.936 8.411 1.00 4.33 H new ATOM 0 HB3 TRP A 64 -4.956 -2.477 7.602 1.00 4.33 H new ATOM 0 HD1 TRP A 64 -4.934 -4.105 10.914 1.00 24.15 H new ATOM 0 HE1 TRP A 64 -6.423 -2.854 12.610 1.00 41.23 H new ATOM 0 HE3 TRP A 64 -7.476 -1.093 7.647 1.00 60.10 H new ATOM 0 HZ2 TRP A 64 -8.404 -0.867 12.528 1.00 24.12 H new ATOM 0 HZ3 TRP A 64 -9.159 0.454 8.542 1.00 50.40 H new ATOM 0 HH2 TRP A 64 -9.604 0.572 10.950 1.00 40.11 H new ATOM 1107 N TYR A 65 -6.140 -2.979 5.128 1.00 14.51 N ATOM 1108 CA TYR A 65 -6.708 -2.166 4.069 1.00 32.44 C ATOM 1109 C TYR A 65 -7.886 -2.880 3.425 1.00 41.10 C ATOM 1110 O TYR A 65 -8.874 -2.254 3.062 1.00 62.14 O ATOM 1111 CB TYR A 65 -5.674 -1.748 3.011 1.00 51.02 C ATOM 1112 CG TYR A 65 -6.259 -0.792 1.989 1.00 13.31 C ATOM 1113 CD1 TYR A 65 -6.635 0.486 2.368 1.00 32.31 C ATOM 1114 CD2 TYR A 65 -6.454 -1.164 0.662 1.00 63.45 C ATOM 1115 CE1 TYR A 65 -7.191 1.360 1.469 1.00 3.24 C ATOM 1116 CE2 TYR A 65 -7.006 -0.279 -0.246 1.00 50.43 C ATOM 1117 CZ TYR A 65 -7.373 0.973 0.169 1.00 71.34 C ATOM 1118 OH TYR A 65 -7.936 1.848 -0.721 1.00 25.12 O ATOM 0 H TYR A 65 -5.177 -3.275 4.972 1.00 14.51 H new ATOM 0 HA TYR A 65 -7.060 -1.245 4.533 1.00 32.44 H new ATOM 0 HB2 TYR A 65 -4.823 -1.276 3.503 1.00 51.02 H new ATOM 0 HB3 TYR A 65 -5.297 -2.635 2.503 1.00 51.02 H new ATOM 0 HD1 TYR A 65 -6.488 0.800 3.391 1.00 32.31 H new ATOM 0 HD2 TYR A 65 -6.171 -2.155 0.338 1.00 63.45 H new ATOM 0 HE1 TYR A 65 -7.484 2.350 1.786 1.00 3.24 H new ATOM 0 HE2 TYR A 65 -7.147 -0.573 -1.276 1.00 50.43 H new ATOM 0 HH TYR A 65 -7.825 2.765 -0.393 1.00 25.12 H new ATOM 1128 N ASN A 66 -7.784 -4.197 3.305 1.00 55.33 N ATOM 1129 CA ASN A 66 -8.882 -5.004 2.764 1.00 55.00 C ATOM 1130 C ASN A 66 -10.105 -4.907 3.679 1.00 42.53 C ATOM 1131 O ASN A 66 -11.253 -4.885 3.213 1.00 2.53 O ATOM 1132 CB ASN A 66 -8.476 -6.477 2.570 1.00 63.44 C ATOM 1133 CG ASN A 66 -7.348 -6.671 1.561 1.00 22.22 C ATOM 1134 OD1 ASN A 66 -7.172 -5.874 0.632 1.00 73.34 O ATOM 1135 ND2 ASN A 66 -6.603 -7.735 1.715 1.00 73.14 N ATOM 0 H ASN A 66 -6.958 -4.732 3.572 1.00 55.33 H new ATOM 0 HA ASN A 66 -9.131 -4.604 1.781 1.00 55.00 H new ATOM 0 HB2 ASN A 66 -8.168 -6.890 3.531 1.00 63.44 H new ATOM 0 HB3 ASN A 66 -9.347 -7.045 2.243 1.00 63.44 H new ATOM 0 HD21 ASN A 66 -5.848 -7.929 1.057 1.00 73.14 H new ATOM 0 HD22 ASN A 66 -6.777 -8.371 2.493 1.00 73.14 H new ATOM 1142 N ALA A 67 -9.848 -4.823 4.980 1.00 24.02 N ATOM 1143 CA ALA A 67 -10.903 -4.660 5.966 1.00 21.53 C ATOM 1144 C ALA A 67 -11.470 -3.244 5.893 1.00 52.15 C ATOM 1145 O ALA A 67 -12.665 -3.053 5.971 1.00 71.43 O ATOM 1146 CB ALA A 67 -10.387 -4.963 7.362 1.00 41.53 C ATOM 0 H ALA A 67 -8.909 -4.866 5.376 1.00 24.02 H new ATOM 0 HA ALA A 67 -11.702 -5.368 5.744 1.00 21.53 H new ATOM 0 HB1 ALA A 67 -11.194 -4.835 8.084 1.00 41.53 H new ATOM 0 HB2 ALA A 67 -10.025 -5.990 7.401 1.00 41.53 H new ATOM 0 HB3 ALA A 67 -9.571 -4.282 7.604 1.00 41.53 H new ATOM 1152 N TRP A 68 -10.588 -2.272 5.737 1.00 72.24 N ATOM 1153 CA TRP A 68 -10.961 -0.864 5.548 1.00 11.25 C ATOM 1154 C TRP A 68 -11.873 -0.724 4.330 1.00 2.41 C ATOM 1155 O TRP A 68 -12.899 -0.037 4.375 1.00 50.45 O ATOM 1156 CB TRP A 68 -9.674 -0.025 5.388 1.00 73.13 C ATOM 1157 CG TRP A 68 -9.866 1.400 4.950 1.00 33.45 C ATOM 1158 CD1 TRP A 68 -9.738 1.868 3.678 1.00 41.14 C ATOM 1159 CD2 TRP A 68 -10.199 2.539 5.757 1.00 61.52 C ATOM 1160 NE1 TRP A 68 -9.961 3.211 3.642 1.00 45.51 N ATOM 1161 CE2 TRP A 68 -10.250 3.652 4.893 1.00 52.22 C ATOM 1162 CE3 TRP A 68 -10.462 2.733 7.116 1.00 61.43 C ATOM 1163 CZ2 TRP A 68 -10.545 4.928 5.334 1.00 72.30 C ATOM 1164 CZ3 TRP A 68 -10.758 4.014 7.553 1.00 33.21 C ATOM 1165 CH2 TRP A 68 -10.798 5.093 6.656 1.00 61.11 C ATOM 0 H TRP A 68 -9.580 -2.430 5.737 1.00 72.24 H new ATOM 0 HA TRP A 68 -11.512 -0.500 6.415 1.00 11.25 H new ATOM 0 HB2 TRP A 68 -9.145 -0.023 6.341 1.00 73.13 H new ATOM 0 HB3 TRP A 68 -9.027 -0.522 4.665 1.00 73.13 H new ATOM 0 HD1 TRP A 68 -9.494 1.260 2.819 1.00 41.14 H new ATOM 0 HE1 TRP A 68 -9.918 3.794 2.806 1.00 45.51 H new ATOM 0 HE3 TRP A 68 -10.435 1.905 7.808 1.00 61.43 H new ATOM 0 HZ2 TRP A 68 -10.573 5.764 4.650 1.00 72.30 H new ATOM 0 HZ3 TRP A 68 -10.961 4.185 8.600 1.00 33.21 H new ATOM 0 HH2 TRP A 68 -11.036 6.079 7.028 1.00 61.11 H new ATOM 1176 N ASN A 69 -11.494 -1.398 3.260 1.00 4.11 N ATOM 1177 CA ASN A 69 -12.271 -1.436 2.028 1.00 61.22 C ATOM 1178 C ASN A 69 -13.659 -2.017 2.340 1.00 24.44 C ATOM 1179 O ASN A 69 -14.691 -1.459 1.937 1.00 20.14 O ATOM 1180 CB ASN A 69 -11.529 -2.313 0.990 1.00 73.23 C ATOM 1181 CG ASN A 69 -12.136 -2.302 -0.414 1.00 51.35 C ATOM 1182 OD1 ASN A 69 -13.333 -2.115 -0.607 1.00 12.14 O ATOM 1183 ND2 ASN A 69 -11.312 -2.520 -1.399 1.00 52.22 N ATOM 0 H ASN A 69 -10.631 -1.940 3.218 1.00 4.11 H new ATOM 0 HA ASN A 69 -12.390 -0.434 1.616 1.00 61.22 H new ATOM 0 HB2 ASN A 69 -10.494 -1.977 0.925 1.00 73.23 H new ATOM 0 HB3 ASN A 69 -11.508 -3.341 1.353 1.00 73.23 H new ATOM 0 HD21 ASN A 69 -11.658 -2.538 -2.359 1.00 52.22 H new ATOM 0 HD22 ASN A 69 -10.321 -2.672 -1.211 1.00 52.22 H new ATOM 1190 N GLU A 70 -13.668 -3.117 3.104 1.00 71.20 N ATOM 1191 CA GLU A 70 -14.906 -3.769 3.538 1.00 51.20 C ATOM 1192 C GLU A 70 -15.784 -2.783 4.301 1.00 62.24 C ATOM 1193 O GLU A 70 -16.961 -2.684 4.046 1.00 44.23 O ATOM 1194 CB GLU A 70 -14.610 -4.956 4.469 1.00 42.32 C ATOM 1195 CG GLU A 70 -15.865 -5.682 4.961 1.00 32.41 C ATOM 1196 CD GLU A 70 -15.586 -6.651 6.087 1.00 31.42 C ATOM 1197 OE1 GLU A 70 -15.082 -7.757 5.835 1.00 31.14 O ATOM 1198 OE2 GLU A 70 -15.860 -6.305 7.262 1.00 64.12 O ATOM 0 H GLU A 70 -12.820 -3.577 3.436 1.00 71.20 H new ATOM 0 HA GLU A 70 -15.417 -4.122 2.642 1.00 51.20 H new ATOM 0 HB2 GLU A 70 -13.972 -5.667 3.944 1.00 42.32 H new ATOM 0 HB3 GLU A 70 -14.047 -4.598 5.331 1.00 42.32 H new ATOM 0 HG2 GLU A 70 -16.596 -4.946 5.296 1.00 32.41 H new ATOM 0 HG3 GLU A 70 -16.315 -6.222 4.128 1.00 32.41 H new ATOM 1205 N LYS A 71 -15.184 -2.039 5.220 1.00 53.44 N ATOM 1206 CA LYS A 71 -15.937 -1.130 6.079 1.00 52.33 C ATOM 1207 C LYS A 71 -16.555 0.016 5.290 1.00 74.02 C ATOM 1208 O LYS A 71 -17.630 0.517 5.640 1.00 23.01 O ATOM 1209 CB LYS A 71 -15.072 -0.586 7.229 1.00 51.51 C ATOM 1210 CG LYS A 71 -14.375 -1.666 8.050 1.00 11.14 C ATOM 1211 CD LYS A 71 -15.341 -2.747 8.507 1.00 25.34 C ATOM 1212 CE LYS A 71 -14.624 -3.830 9.291 1.00 43.32 C ATOM 1213 NZ LYS A 71 -15.527 -4.944 9.632 1.00 35.34 N ATOM 0 H LYS A 71 -14.179 -2.046 5.391 1.00 53.44 H new ATOM 0 HA LYS A 71 -16.749 -1.714 6.513 1.00 52.33 H new ATOM 0 HB2 LYS A 71 -14.318 0.084 6.816 1.00 51.51 H new ATOM 0 HB3 LYS A 71 -15.700 0.010 7.891 1.00 51.51 H new ATOM 0 HG2 LYS A 71 -13.581 -2.117 7.455 1.00 11.14 H new ATOM 0 HG3 LYS A 71 -13.902 -1.211 8.920 1.00 11.14 H new ATOM 0 HD2 LYS A 71 -16.121 -2.303 9.125 1.00 25.34 H new ATOM 0 HD3 LYS A 71 -15.834 -3.188 7.640 1.00 25.34 H new ATOM 0 HE2 LYS A 71 -13.785 -4.207 8.707 1.00 43.32 H new ATOM 0 HE3 LYS A 71 -14.210 -3.404 10.205 1.00 43.32 H new ATOM 0 HZ1 LYS A 71 -15.096 -5.523 10.381 1.00 35.34 H new ATOM 0 HZ2 LYS A 71 -16.435 -4.564 9.967 1.00 35.34 H new ATOM 0 HZ3 LYS A 71 -15.687 -5.532 8.789 1.00 35.34 H new ATOM 1227 N ARG A 72 -15.898 0.419 4.227 1.00 20.45 N ATOM 1228 CA ARG A 72 -16.405 1.492 3.389 1.00 4.14 C ATOM 1229 C ARG A 72 -17.519 0.990 2.472 1.00 61.01 C ATOM 1230 O ARG A 72 -18.422 1.739 2.110 1.00 32.25 O ATOM 1231 CB ARG A 72 -15.289 2.131 2.567 1.00 14.03 C ATOM 1232 CG ARG A 72 -14.186 2.769 3.402 1.00 55.30 C ATOM 1233 CD ARG A 72 -13.140 3.419 2.517 1.00 13.12 C ATOM 1234 NE ARG A 72 -13.712 4.499 1.700 1.00 30.35 N ATOM 1235 CZ ARG A 72 -13.428 4.724 0.406 1.00 30.34 C ATOM 1236 NH1 ARG A 72 -12.604 3.919 -0.248 1.00 13.50 N ATOM 1237 NH2 ARG A 72 -13.983 5.748 -0.221 1.00 30.23 N ATOM 0 H ARG A 72 -15.010 0.023 3.918 1.00 20.45 H new ATOM 0 HA ARG A 72 -16.818 2.254 4.050 1.00 4.14 H new ATOM 0 HB2 ARG A 72 -14.848 1.371 1.922 1.00 14.03 H new ATOM 0 HB3 ARG A 72 -15.722 2.890 1.916 1.00 14.03 H new ATOM 0 HG2 ARG A 72 -14.616 3.515 4.070 1.00 55.30 H new ATOM 0 HG3 ARG A 72 -13.716 2.012 4.030 1.00 55.30 H new ATOM 0 HD2 ARG A 72 -12.337 3.818 3.136 1.00 13.12 H new ATOM 0 HD3 ARG A 72 -12.696 2.666 1.865 1.00 13.12 H new ATOM 0 HE ARG A 72 -14.377 5.127 2.151 1.00 30.35 H new ATOM 0 HH11 ARG A 72 -12.181 3.123 0.231 1.00 13.50 H new ATOM 0 HH12 ARG A 72 -12.392 4.095 -1.230 1.00 13.50 H new ATOM 0 HH21 ARG A 72 -14.625 6.364 0.278 1.00 30.23 H new ATOM 0 HH22 ARG A 72 -13.769 5.921 -1.203 1.00 30.23 H new ATOM 1251 N ARG A 73 -17.463 -0.269 2.110 1.00 12.15 N ATOM 1252 CA ARG A 73 -18.477 -0.857 1.236 1.00 74.55 C ATOM 1253 C ARG A 73 -19.644 -1.412 2.010 1.00 43.23 C ATOM 1254 O ARG A 73 -20.784 -1.357 1.542 1.00 11.15 O ATOM 1255 CB ARG A 73 -17.903 -2.010 0.422 1.00 32.02 C ATOM 1256 CG ARG A 73 -16.900 -1.652 -0.644 1.00 75.35 C ATOM 1257 CD ARG A 73 -16.462 -2.915 -1.363 1.00 44.02 C ATOM 1258 NE ARG A 73 -17.622 -3.676 -1.883 1.00 23.31 N ATOM 1259 CZ ARG A 73 -17.597 -4.941 -2.325 1.00 24.22 C ATOM 1260 NH1 ARG A 73 -16.463 -5.629 -2.362 1.00 51.44 N ATOM 1261 NH2 ARG A 73 -18.719 -5.507 -2.720 1.00 51.34 N ATOM 0 H ARG A 73 -16.730 -0.915 2.402 1.00 12.15 H new ATOM 0 HA ARG A 73 -18.809 -0.046 0.588 1.00 74.55 H new ATOM 0 HB2 ARG A 73 -17.432 -2.711 1.111 1.00 32.02 H new ATOM 0 HB3 ARG A 73 -18.731 -2.537 -0.053 1.00 32.02 H new ATOM 0 HG2 ARG A 73 -17.340 -0.950 -1.353 1.00 75.35 H new ATOM 0 HG3 ARG A 73 -16.038 -1.156 -0.197 1.00 75.35 H new ATOM 0 HD2 ARG A 73 -15.798 -2.654 -2.187 1.00 44.02 H new ATOM 0 HD3 ARG A 73 -15.890 -3.543 -0.680 1.00 44.02 H new ATOM 0 HE ARG A 73 -18.520 -3.194 -1.907 1.00 23.31 H new ATOM 0 HH11 ARG A 73 -15.593 -5.196 -2.051 1.00 51.44 H new ATOM 0 HH12 ARG A 73 -16.461 -6.591 -2.701 1.00 51.44 H new ATOM 0 HH21 ARG A 73 -19.594 -4.983 -2.687 1.00 51.34 H new ATOM 0 HH22 ARG A 73 -18.713 -6.469 -3.059 1.00 51.34 H new ATOM 1275 N VAL A 74 -19.344 -1.919 3.198 1.00 22.34 N ATOM 1276 CA VAL A 74 -20.242 -2.738 3.999 1.00 14.32 C ATOM 1277 C VAL A 74 -20.208 -4.149 3.406 1.00 61.24 C ATOM 1278 O VAL A 74 -20.041 -4.308 2.194 1.00 32.50 O ATOM 1279 CB VAL A 74 -21.698 -2.167 4.122 1.00 33.00 C ATOM 1280 CG1 VAL A 74 -22.615 -3.129 4.857 1.00 15.42 C ATOM 1281 CG2 VAL A 74 -21.677 -0.831 4.849 1.00 53.11 C ATOM 0 H VAL A 74 -18.440 -1.766 3.645 1.00 22.34 H new ATOM 0 HA VAL A 74 -19.895 -2.744 5.032 1.00 14.32 H new ATOM 0 HB VAL A 74 -22.085 -2.031 3.112 1.00 33.00 H new ATOM 0 HG11 VAL A 74 -23.615 -2.700 4.923 1.00 15.42 H new ATOM 0 HG12 VAL A 74 -22.661 -4.074 4.315 1.00 15.42 H new ATOM 0 HG13 VAL A 74 -22.229 -3.305 5.861 1.00 15.42 H new ATOM 0 HG21 VAL A 74 -22.693 -0.444 4.929 1.00 53.11 H new ATOM 0 HG22 VAL A 74 -21.261 -0.967 5.847 1.00 53.11 H new ATOM 0 HG23 VAL A 74 -21.062 -0.124 4.293 1.00 53.11 H new ATOM 1291 N TYR A 75 -20.297 -5.155 4.239 1.00 51.34 N ATOM 1292 CA TYR A 75 -20.161 -6.518 3.781 1.00 33.10 C ATOM 1293 C TYR A 75 -21.316 -6.891 2.838 1.00 21.01 C ATOM 1294 O TYR A 75 -22.457 -7.089 3.270 1.00 32.31 O ATOM 1295 CB TYR A 75 -20.089 -7.466 4.980 1.00 62.10 C ATOM 1296 CG TYR A 75 -19.619 -8.861 4.661 1.00 23.44 C ATOM 1297 CD1 TYR A 75 -18.266 -9.164 4.703 1.00 43.22 C ATOM 1298 CD2 TYR A 75 -20.510 -9.876 4.334 1.00 4.15 C ATOM 1299 CE1 TYR A 75 -17.811 -10.429 4.430 1.00 45.24 C ATOM 1300 CE2 TYR A 75 -20.056 -11.152 4.064 1.00 63.04 C ATOM 1301 CZ TYR A 75 -18.703 -11.419 4.115 1.00 22.30 C ATOM 1302 OH TYR A 75 -18.237 -12.694 3.857 1.00 72.24 O ATOM 0 H TYR A 75 -20.463 -5.057 5.241 1.00 51.34 H new ATOM 0 HA TYR A 75 -19.234 -6.613 3.216 1.00 33.10 H new ATOM 0 HB2 TYR A 75 -19.420 -7.035 5.725 1.00 62.10 H new ATOM 0 HB3 TYR A 75 -21.077 -7.527 5.436 1.00 62.10 H new ATOM 0 HD1 TYR A 75 -17.557 -8.389 4.955 1.00 43.22 H new ATOM 0 HD2 TYR A 75 -21.568 -9.665 4.291 1.00 4.15 H new ATOM 0 HE1 TYR A 75 -16.753 -10.643 4.463 1.00 45.24 H new ATOM 0 HE2 TYR A 75 -20.756 -11.936 3.814 1.00 63.04 H new ATOM 0 HH TYR A 75 -18.993 -13.283 3.650 1.00 72.24 H new ATOM 1312 N GLU A 76 -21.013 -6.918 1.559 1.00 51.52 N ATOM 1313 CA GLU A 76 -21.965 -7.276 0.534 1.00 71.24 C ATOM 1314 C GLU A 76 -21.748 -8.734 0.154 1.00 43.34 C ATOM 1315 O GLU A 76 -20.593 -9.186 0.084 1.00 72.33 O ATOM 1316 CB GLU A 76 -21.759 -6.400 -0.724 1.00 15.24 C ATOM 1317 CG GLU A 76 -21.947 -4.898 -0.521 1.00 54.33 C ATOM 1318 CD GLU A 76 -21.748 -4.112 -1.812 1.00 21.33 C ATOM 1319 OE1 GLU A 76 -22.724 -3.929 -2.567 1.00 51.13 O ATOM 1320 OE2 GLU A 76 -20.611 -3.675 -2.100 1.00 22.45 O ATOM 0 H GLU A 76 -20.087 -6.689 1.198 1.00 51.52 H new ATOM 0 HA GLU A 76 -22.974 -7.121 0.915 1.00 71.24 H new ATOM 0 HB2 GLU A 76 -20.753 -6.574 -1.105 1.00 15.24 H new ATOM 0 HB3 GLU A 76 -22.454 -6.734 -1.495 1.00 15.24 H new ATOM 0 HG2 GLU A 76 -22.948 -4.708 -0.133 1.00 54.33 H new ATOM 0 HG3 GLU A 76 -21.241 -4.544 0.230 1.00 54.33 H new ATOM 1327 N GLU A 77 -22.815 -9.478 -0.068 1.00 52.01 N ATOM 1328 CA GLU A 77 -22.668 -10.856 -0.497 1.00 44.43 C ATOM 1329 C GLU A 77 -22.919 -10.987 -2.003 1.00 70.03 C ATOM 1330 O GLU A 77 -21.946 -10.891 -2.766 1.00 38.93 O ATOM 1331 CB GLU A 77 -23.501 -11.863 0.356 1.00 52.55 C ATOM 1332 CG GLU A 77 -25.013 -11.653 0.379 1.00 12.23 C ATOM 1333 CD GLU A 77 -25.723 -12.710 1.204 1.00 55.53 C ATOM 1334 OE1 GLU A 77 -25.980 -13.823 0.686 1.00 35.03 O ATOM 1335 OE2 GLU A 77 -26.043 -12.445 2.384 1.00 54.24 O ATOM 1336 OXT GLU A 77 -24.083 -11.134 -2.437 1.00 38.93 O ATOM 0 H GLU A 77 -23.778 -9.159 0.039 1.00 52.01 H new ATOM 0 HA GLU A 77 -21.632 -11.140 -0.315 1.00 44.43 H new ATOM 0 HB2 GLU A 77 -23.302 -12.869 -0.014 1.00 52.55 H new ATOM 0 HB3 GLU A 77 -23.136 -11.823 1.382 1.00 52.55 H new ATOM 0 HG2 GLU A 77 -25.235 -10.666 0.786 1.00 12.23 H new ATOM 0 HG3 GLU A 77 -25.397 -11.671 -0.641 1.00 12.23 H new TER 1343 GLU A 77