USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 648 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 68 HIS : no HD1:sc= -3.38! C(o=-5.3!,f=-7.8!) USER MOD Set 1.2: A 72 HIS : no HE2:sc= -1.94 K(o=-5.3,f=-12!) USER MOD Set 2.1: A 67 GLN : amide:sc= -9.78! C(o=-11!,f=-10!) USER MOD Set 2.2: A 70 GLN : amide:sc= -1.51 K(o=-11,f=-13!) USER MOD Set 3.1: A 30 ASN : amide:sc= -3.84! C(o=-4.1!,f=-4!) USER MOD Set 3.2: A 41 MET CE :methyl -109:sc= -0.281 (180deg=-1.91!) USER MOD Single : A 1 GLY N :NH3+ -138:sc= 0.0622 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 42:sc= 1.18 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 174:sc= -0.736 (180deg=-0.805) USER MOD Single : A 13 ASN : amide:sc= -3.68! K(o=-3.7!,f=-0.44) USER MOD Single : A 16 MET CE :methyl -153:sc= -0.16 (180deg=-0.73) USER MOD Single : A 20 LYS NZ :NH3+ -158:sc= -0.0777 (180deg=-0.419) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.0864 K(o=-0.086,f=-1.1) USER MOD Single : A 29 GLN : amide:sc= -0.0324 X(o=-0.032,f=-0.31) USER MOD Single : A 34 HIS : no HD1:sc= -4.64! C(o=-4.6!,f=-3.5!) USER MOD Single : A 35 ASN : amide:sc= -0.102 K(o=-0.1,f=-1.8) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 157:sc= -0.757 (180deg=-1.31) USER MOD Single : A 74 ASN : amide:sc= -0.906 K(o=-0.91,f=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.475 -13.764 -5.435 1.00 0.00 N ATOM 2 CA GLY A 1 14.446 -14.076 -6.853 1.00 0.00 C ATOM 3 C GLY A 1 14.964 -12.936 -7.707 1.00 0.00 C ATOM 4 O GLY A 1 15.693 -12.070 -7.223 1.00 0.00 O ATOM 0 H1 GLY A 1 14.814 -14.592 -4.904 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.115 -12.961 -5.269 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.517 -13.516 -5.115 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.046 -14.967 -7.038 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.424 -14.313 -7.149 1.00 0.00 H new ATOM 8 N SER A 2 14.589 -12.937 -8.983 1.00 0.00 N ATOM 9 CA SER A 2 15.026 -11.898 -9.908 1.00 0.00 C ATOM 10 C SER A 2 14.160 -10.650 -9.772 1.00 0.00 C ATOM 11 O SER A 2 13.147 -10.506 -10.456 1.00 0.00 O ATOM 12 CB SER A 2 14.974 -12.414 -11.348 1.00 0.00 C ATOM 13 OG SER A 2 15.927 -11.751 -12.161 1.00 0.00 O ATOM 0 H SER A 2 13.984 -13.645 -9.399 1.00 0.00 H new ATOM 0 HA SER A 2 16.054 -11.634 -9.660 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.164 -13.487 -11.360 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.975 -12.263 -11.756 1.00 0.00 H new ATOM 0 HG SER A 2 15.875 -12.099 -13.076 1.00 0.00 H new ATOM 19 N SER A 3 14.567 -9.749 -8.883 1.00 0.00 N ATOM 20 CA SER A 3 13.828 -8.514 -8.653 1.00 0.00 C ATOM 21 C SER A 3 14.693 -7.490 -7.924 1.00 0.00 C ATOM 22 O SER A 3 15.390 -7.820 -6.966 1.00 0.00 O ATOM 23 CB SER A 3 12.561 -8.796 -7.843 1.00 0.00 C ATOM 24 OG SER A 3 12.873 -9.419 -6.609 1.00 0.00 O ATOM 0 H SER A 3 15.405 -9.852 -8.310 1.00 0.00 H new ATOM 0 HA SER A 3 13.547 -8.102 -9.623 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.028 -7.863 -7.659 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.893 -9.436 -8.419 1.00 0.00 H new ATOM 0 HG SER A 3 12.047 -9.587 -6.109 1.00 0.00 H new ATOM 30 N GLY A 4 14.642 -6.245 -8.387 1.00 0.00 N ATOM 31 CA GLY A 4 15.425 -5.191 -7.768 1.00 0.00 C ATOM 32 C GLY A 4 14.560 -4.151 -7.084 1.00 0.00 C ATOM 33 O GLY A 4 14.207 -4.299 -5.915 1.00 0.00 O ATOM 0 H GLY A 4 14.073 -5.947 -9.179 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.106 -5.629 -7.038 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.039 -4.706 -8.526 1.00 0.00 H new ATOM 37 N SER A 5 14.219 -3.094 -7.815 1.00 0.00 N ATOM 38 CA SER A 5 13.395 -2.022 -7.269 1.00 0.00 C ATOM 39 C SER A 5 12.857 -1.130 -8.384 1.00 0.00 C ATOM 40 O SER A 5 13.623 -0.561 -9.162 1.00 0.00 O ATOM 41 CB SER A 5 14.202 -1.185 -6.275 1.00 0.00 C ATOM 42 OG SER A 5 14.175 -1.764 -4.982 1.00 0.00 O ATOM 0 H SER A 5 14.500 -2.957 -8.786 1.00 0.00 H new ATOM 0 HA SER A 5 12.550 -2.475 -6.749 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.233 -1.101 -6.618 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.797 -0.174 -6.233 1.00 0.00 H new ATOM 0 HG SER A 5 14.276 -2.736 -5.057 1.00 0.00 H new ATOM 48 N SER A 6 11.535 -1.013 -8.454 1.00 0.00 N ATOM 49 CA SER A 6 10.893 -0.193 -9.475 1.00 0.00 C ATOM 50 C SER A 6 9.600 0.419 -8.946 1.00 0.00 C ATOM 51 O SER A 6 8.752 -0.277 -8.390 1.00 0.00 O ATOM 52 CB SER A 6 10.602 -1.030 -10.722 1.00 0.00 C ATOM 53 OG SER A 6 10.350 -0.203 -11.845 1.00 0.00 O ATOM 0 H SER A 6 10.887 -1.476 -7.816 1.00 0.00 H new ATOM 0 HA SER A 6 11.575 0.615 -9.739 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.449 -1.684 -10.931 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.741 -1.673 -10.539 1.00 0.00 H new ATOM 0 HG SER A 6 10.169 -0.762 -12.629 1.00 0.00 H new ATOM 59 N GLY A 7 9.457 1.729 -9.124 1.00 0.00 N ATOM 60 CA GLY A 7 8.265 2.415 -8.660 1.00 0.00 C ATOM 61 C GLY A 7 6.993 1.817 -9.228 1.00 0.00 C ATOM 62 O GLY A 7 6.995 0.686 -9.714 1.00 0.00 O ATOM 0 H GLY A 7 10.145 2.327 -9.581 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.227 2.375 -7.571 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.324 3.467 -8.938 1.00 0.00 H new ATOM 66 N ILE A 8 5.905 2.577 -9.166 1.00 0.00 N ATOM 67 CA ILE A 8 4.621 2.114 -9.678 1.00 0.00 C ATOM 68 C ILE A 8 4.133 3.000 -10.819 1.00 0.00 C ATOM 69 O ILE A 8 4.536 4.157 -10.937 1.00 0.00 O ATOM 70 CB ILE A 8 3.550 2.087 -8.571 1.00 0.00 C ATOM 71 CG1 ILE A 8 4.061 1.309 -7.356 1.00 0.00 C ATOM 72 CG2 ILE A 8 2.261 1.473 -9.096 1.00 0.00 C ATOM 73 CD1 ILE A 8 3.449 1.759 -6.049 1.00 0.00 C ATOM 0 H ILE A 8 5.887 3.515 -8.767 1.00 0.00 H new ATOM 0 HA ILE A 8 4.776 1.100 -10.048 1.00 0.00 H new ATOM 0 HB ILE A 8 3.342 3.111 -8.262 1.00 0.00 H new ATOM 0 HG12 ILE A 8 3.852 0.249 -7.500 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.144 1.415 -7.296 1.00 0.00 H new ATOM 0 HG21 ILE A 8 1.514 1.461 -8.302 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.891 2.064 -9.934 1.00 0.00 H new ATOM 0 HG23 ILE A 8 2.453 0.453 -9.429 1.00 0.00 H new ATOM 0 HD11 ILE A 8 3.857 1.164 -5.232 1.00 0.00 H new ATOM 0 HD12 ILE A 8 3.680 2.811 -5.882 1.00 0.00 H new ATOM 0 HD13 ILE A 8 2.368 1.627 -6.089 1.00 0.00 H new ATOM 85 N ARG A 9 3.262 2.448 -11.658 1.00 0.00 N ATOM 86 CA ARG A 9 2.718 3.188 -12.790 1.00 0.00 C ATOM 87 C ARG A 9 1.568 4.089 -12.349 1.00 0.00 C ATOM 88 O ARG A 9 1.532 5.274 -12.682 1.00 0.00 O ATOM 89 CB ARG A 9 2.236 2.222 -13.874 1.00 0.00 C ATOM 90 CG ARG A 9 3.239 1.129 -14.206 1.00 0.00 C ATOM 91 CD ARG A 9 4.223 1.582 -15.273 1.00 0.00 C ATOM 92 NE ARG A 9 5.322 2.362 -14.710 1.00 0.00 N ATOM 93 CZ ARG A 9 6.448 2.624 -15.364 1.00 0.00 C ATOM 94 NH1 ARG A 9 6.623 2.170 -16.598 1.00 0.00 N ATOM 95 NH2 ARG A 9 7.402 3.341 -14.784 1.00 0.00 N ATOM 0 H ARG A 9 2.918 1.491 -11.575 1.00 0.00 H new ATOM 0 HA ARG A 9 3.512 3.814 -13.197 1.00 0.00 H new ATOM 0 HB2 ARG A 9 1.303 1.761 -13.549 1.00 0.00 H new ATOM 0 HB3 ARG A 9 2.014 2.787 -14.779 1.00 0.00 H new ATOM 0 HG2 ARG A 9 3.783 0.846 -13.305 1.00 0.00 H new ATOM 0 HG3 ARG A 9 2.710 0.241 -14.551 1.00 0.00 H new ATOM 0 HD2 ARG A 9 4.625 0.710 -15.789 1.00 0.00 H new ATOM 0 HD3 ARG A 9 3.699 2.180 -16.019 1.00 0.00 H new ATOM 0 HE ARG A 9 5.219 2.726 -13.763 1.00 0.00 H new ATOM 0 HH11 ARG A 9 5.892 1.618 -17.047 1.00 0.00 H new ATOM 0 HH12 ARG A 9 7.489 2.373 -17.098 1.00 0.00 H new ATOM 0 HH21 ARG A 9 7.271 3.691 -13.835 1.00 0.00 H new ATOM 0 HH22 ARG A 9 8.266 3.542 -15.287 1.00 0.00 H new ATOM 109 N ARG A 10 0.630 3.519 -11.599 1.00 0.00 N ATOM 110 CA ARG A 10 -0.521 4.270 -11.114 1.00 0.00 C ATOM 111 C ARG A 10 -0.437 4.480 -9.606 1.00 0.00 C ATOM 112 O ARG A 10 0.220 3.729 -8.885 1.00 0.00 O ATOM 113 CB ARG A 10 -1.818 3.540 -11.467 1.00 0.00 C ATOM 114 CG ARG A 10 -2.327 3.843 -12.867 1.00 0.00 C ATOM 115 CD ARG A 10 -1.455 3.192 -13.929 1.00 0.00 C ATOM 116 NE ARG A 10 -1.834 1.803 -14.173 1.00 0.00 N ATOM 117 CZ ARG A 10 -1.476 1.122 -15.256 1.00 0.00 C ATOM 118 NH1 ARG A 10 -0.734 1.700 -16.191 1.00 0.00 N ATOM 119 NH2 ARG A 10 -1.860 -0.139 -15.406 1.00 0.00 N ATOM 0 H ARG A 10 0.645 2.540 -11.314 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.517 5.246 -11.600 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.658 2.466 -11.373 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.586 3.812 -10.744 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.352 3.487 -12.968 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.348 4.922 -13.022 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.532 3.757 -14.858 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.412 3.233 -13.617 1.00 0.00 H new ATOM 0 HE ARG A 10 -2.405 1.329 -13.473 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -0.437 2.669 -16.079 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -0.460 1.175 -17.022 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -2.431 -0.587 -14.689 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -1.584 -0.661 -16.238 1.00 0.00 H new ATOM 133 N PRO A 11 -1.118 5.527 -9.115 1.00 0.00 N ATOM 134 CA PRO A 11 -1.136 5.860 -7.687 1.00 0.00 C ATOM 135 C PRO A 11 -1.916 4.841 -6.864 1.00 0.00 C ATOM 136 O PRO A 11 -2.498 3.904 -7.409 1.00 0.00 O ATOM 137 CB PRO A 11 -1.831 7.223 -7.650 1.00 0.00 C ATOM 138 CG PRO A 11 -2.675 7.252 -8.878 1.00 0.00 C ATOM 139 CD PRO A 11 -1.922 6.465 -9.915 1.00 0.00 C ATOM 0 HA PRO A 11 -0.135 5.865 -7.257 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.437 7.334 -6.751 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.106 8.037 -7.649 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -3.654 6.812 -8.689 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -2.844 8.276 -9.212 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.598 5.940 -10.590 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.294 7.109 -10.530 1.00 0.00 H new ATOM 147 N MET A 12 -1.924 5.032 -5.549 1.00 0.00 N ATOM 148 CA MET A 12 -2.635 4.129 -4.650 1.00 0.00 C ATOM 149 C MET A 12 -3.310 4.904 -3.523 1.00 0.00 C ATOM 150 O MET A 12 -2.890 6.008 -3.178 1.00 0.00 O ATOM 151 CB MET A 12 -1.673 3.092 -4.067 1.00 0.00 C ATOM 152 CG MET A 12 -0.509 2.759 -4.987 1.00 0.00 C ATOM 153 SD MET A 12 0.284 1.196 -4.565 1.00 0.00 S ATOM 154 CE MET A 12 1.059 1.619 -3.006 1.00 0.00 C ATOM 0 H MET A 12 -1.447 5.803 -5.082 1.00 0.00 H new ATOM 0 HA MET A 12 -3.405 3.616 -5.226 1.00 0.00 H new ATOM 0 HB2 MET A 12 -1.282 3.463 -3.120 1.00 0.00 H new ATOM 0 HB3 MET A 12 -2.226 2.178 -3.848 1.00 0.00 H new ATOM 0 HG2 MET A 12 -0.865 2.715 -6.016 1.00 0.00 H new ATOM 0 HG3 MET A 12 0.228 3.561 -4.939 1.00 0.00 H new ATOM 0 HE1 MET A 12 1.500 0.725 -2.565 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.838 2.362 -3.177 1.00 0.00 H new ATOM 0 HE3 MET A 12 0.311 2.027 -2.327 1.00 0.00 H new ATOM 164 N ASN A 13 -4.358 4.319 -2.954 1.00 0.00 N ATOM 165 CA ASN A 13 -5.092 4.956 -1.866 1.00 0.00 C ATOM 166 C ASN A 13 -4.613 4.440 -0.512 1.00 0.00 C ATOM 167 O ASN A 13 -3.754 3.562 -0.439 1.00 0.00 O ATOM 168 CB ASN A 13 -6.593 4.703 -2.018 1.00 0.00 C ATOM 169 CG ASN A 13 -6.891 3.354 -2.643 1.00 0.00 C ATOM 170 OD1 ASN A 13 -7.003 3.234 -3.863 1.00 0.00 O ATOM 171 ND2 ASN A 13 -7.022 2.330 -1.807 1.00 0.00 N ATOM 0 H ASN A 13 -4.719 3.405 -3.228 1.00 0.00 H new ATOM 0 HA ASN A 13 -4.905 6.029 -1.914 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.069 4.760 -1.039 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -7.031 5.490 -2.632 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -7.224 1.398 -2.170 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -6.921 2.476 -0.803 1.00 0.00 H new ATOM 178 N ALA A 14 -5.175 4.993 0.558 1.00 0.00 N ATOM 179 CA ALA A 14 -4.808 4.587 1.909 1.00 0.00 C ATOM 180 C ALA A 14 -4.971 3.083 2.095 1.00 0.00 C ATOM 181 O ALA A 14 -4.135 2.430 2.719 1.00 0.00 O ATOM 182 CB ALA A 14 -5.645 5.341 2.932 1.00 0.00 C ATOM 0 H ALA A 14 -5.886 5.723 0.515 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.757 4.833 2.062 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.361 5.028 3.937 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.474 6.412 2.824 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.701 5.124 2.770 1.00 0.00 H new ATOM 188 N PHE A 15 -6.054 2.538 1.549 1.00 0.00 N ATOM 189 CA PHE A 15 -6.328 1.110 1.656 1.00 0.00 C ATOM 190 C PHE A 15 -5.315 0.300 0.852 1.00 0.00 C ATOM 191 O PHE A 15 -4.867 -0.761 1.286 1.00 0.00 O ATOM 192 CB PHE A 15 -7.745 0.803 1.168 1.00 0.00 C ATOM 193 CG PHE A 15 -7.959 -0.642 0.818 1.00 0.00 C ATOM 194 CD1 PHE A 15 -7.551 -1.139 -0.409 1.00 0.00 C ATOM 195 CD2 PHE A 15 -8.567 -1.504 1.717 1.00 0.00 C ATOM 196 CE1 PHE A 15 -7.747 -2.468 -0.734 1.00 0.00 C ATOM 197 CE2 PHE A 15 -8.766 -2.834 1.398 1.00 0.00 C ATOM 198 CZ PHE A 15 -8.354 -3.317 0.171 1.00 0.00 C ATOM 0 H PHE A 15 -6.756 3.064 1.028 1.00 0.00 H new ATOM 0 HA PHE A 15 -6.243 0.827 2.705 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -8.457 1.090 1.941 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -7.960 1.416 0.293 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -7.074 -0.480 -1.120 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -8.889 -1.132 2.678 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -7.426 -2.842 -1.695 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -9.243 -3.495 2.107 1.00 0.00 H new ATOM 0 HZ PHE A 15 -8.506 -4.356 -0.080 1.00 0.00 H new ATOM 208 N MET A 16 -4.958 0.809 -0.323 1.00 0.00 N ATOM 209 CA MET A 16 -3.998 0.134 -1.189 1.00 0.00 C ATOM 210 C MET A 16 -2.610 0.123 -0.556 1.00 0.00 C ATOM 211 O MET A 16 -2.003 -0.934 -0.384 1.00 0.00 O ATOM 212 CB MET A 16 -3.943 0.817 -2.556 1.00 0.00 C ATOM 213 CG MET A 16 -5.090 0.431 -3.475 1.00 0.00 C ATOM 214 SD MET A 16 -4.708 -1.002 -4.500 1.00 0.00 S ATOM 215 CE MET A 16 -3.444 -0.323 -5.573 1.00 0.00 C ATOM 0 H MET A 16 -5.319 1.687 -0.697 1.00 0.00 H new ATOM 0 HA MET A 16 -4.327 -0.897 -1.320 1.00 0.00 H new ATOM 0 HB2 MET A 16 -3.950 1.898 -2.414 1.00 0.00 H new ATOM 0 HB3 MET A 16 -3.000 0.566 -3.041 1.00 0.00 H new ATOM 0 HG2 MET A 16 -5.975 0.218 -2.875 1.00 0.00 H new ATOM 0 HG3 MET A 16 -5.336 1.277 -4.117 1.00 0.00 H new ATOM 0 HE1 MET A 16 -3.442 -0.863 -6.520 1.00 0.00 H new ATOM 0 HE2 MET A 16 -3.650 0.731 -5.756 1.00 0.00 H new ATOM 0 HE3 MET A 16 -2.469 -0.424 -5.096 1.00 0.00 H new ATOM 225 N VAL A 17 -2.112 1.307 -0.212 1.00 0.00 N ATOM 226 CA VAL A 17 -0.796 1.434 0.403 1.00 0.00 C ATOM 227 C VAL A 17 -0.632 0.453 1.558 1.00 0.00 C ATOM 228 O VAL A 17 0.232 -0.423 1.524 1.00 0.00 O ATOM 229 CB VAL A 17 -0.554 2.864 0.920 1.00 0.00 C ATOM 230 CG1 VAL A 17 0.797 2.959 1.614 1.00 0.00 C ATOM 231 CG2 VAL A 17 -0.648 3.866 -0.221 1.00 0.00 C ATOM 0 H VAL A 17 -2.600 2.192 -0.349 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.062 1.206 -0.370 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.328 3.104 1.649 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.951 3.977 1.973 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.822 2.269 2.458 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.587 2.699 0.909 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.474 4.871 0.162 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.103 3.630 -0.975 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.640 3.815 -0.669 1.00 0.00 H new ATOM 241 N TRP A 18 -1.467 0.605 2.579 1.00 0.00 N ATOM 242 CA TRP A 18 -1.415 -0.268 3.746 1.00 0.00 C ATOM 243 C TRP A 18 -1.459 -1.734 3.331 1.00 0.00 C ATOM 244 O TRP A 18 -0.881 -2.594 3.994 1.00 0.00 O ATOM 245 CB TRP A 18 -2.576 0.042 4.693 1.00 0.00 C ATOM 246 CG TRP A 18 -2.961 -1.118 5.560 1.00 0.00 C ATOM 247 CD1 TRP A 18 -2.461 -1.420 6.795 1.00 0.00 C ATOM 248 CD2 TRP A 18 -3.925 -2.132 5.257 1.00 0.00 C ATOM 249 NE1 TRP A 18 -3.056 -2.560 7.278 1.00 0.00 N ATOM 250 CE2 TRP A 18 -3.959 -3.016 6.354 1.00 0.00 C ATOM 251 CE3 TRP A 18 -4.765 -2.378 4.168 1.00 0.00 C ATOM 252 CZ2 TRP A 18 -4.799 -4.126 6.389 1.00 0.00 C ATOM 253 CZ3 TRP A 18 -5.598 -3.480 4.204 1.00 0.00 C ATOM 254 CH2 TRP A 18 -5.610 -4.343 5.309 1.00 0.00 C ATOM 0 H TRP A 18 -2.188 1.325 2.623 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.474 -0.084 4.264 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.303 0.885 5.327 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -3.441 0.351 4.107 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -1.708 -0.846 7.315 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.858 -2.996 8.178 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -4.763 -1.718 3.313 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -4.810 -4.792 7.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -6.251 -3.680 3.367 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -6.273 -5.196 5.307 1.00 0.00 H new ATOM 265 N ALA A 19 -2.148 -2.013 2.229 1.00 0.00 N ATOM 266 CA ALA A 19 -2.265 -3.375 1.725 1.00 0.00 C ATOM 267 C ALA A 19 -0.953 -3.847 1.109 1.00 0.00 C ATOM 268 O ALA A 19 -0.539 -4.990 1.303 1.00 0.00 O ATOM 269 CB ALA A 19 -3.392 -3.466 0.706 1.00 0.00 C ATOM 0 H ALA A 19 -2.634 -1.313 1.668 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.497 -4.028 2.566 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.468 -4.489 0.338 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.332 -3.179 1.177 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.184 -2.795 -0.127 1.00 0.00 H new ATOM 275 N LYS A 20 -0.301 -2.960 0.365 1.00 0.00 N ATOM 276 CA LYS A 20 0.966 -3.284 -0.280 1.00 0.00 C ATOM 277 C LYS A 20 1.788 -4.235 0.583 1.00 0.00 C ATOM 278 O LYS A 20 2.492 -5.104 0.069 1.00 0.00 O ATOM 279 CB LYS A 20 1.764 -2.008 -0.554 1.00 0.00 C ATOM 280 CG LYS A 20 2.643 -1.579 0.608 1.00 0.00 C ATOM 281 CD LYS A 20 2.837 -0.072 0.634 1.00 0.00 C ATOM 282 CE LYS A 20 3.939 0.364 -0.319 1.00 0.00 C ATOM 283 NZ LYS A 20 5.279 -0.107 0.130 1.00 0.00 N ATOM 0 H LYS A 20 -0.630 -2.010 0.194 1.00 0.00 H new ATOM 0 HA LYS A 20 0.747 -3.778 -1.227 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.389 -2.162 -1.434 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.072 -1.201 -0.792 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.193 -1.905 1.546 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.613 -2.070 0.532 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.904 0.421 0.362 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.083 0.247 1.647 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.732 -0.026 -1.316 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.943 1.451 -0.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.017 0.489 -0.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.339 -0.045 1.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.417 -1.094 -0.166 1.00 0.00 H new ATOM 297 N ASP A 21 1.693 -4.065 1.897 1.00 0.00 N ATOM 298 CA ASP A 21 2.426 -4.911 2.833 1.00 0.00 C ATOM 299 C ASP A 21 1.579 -6.102 3.268 1.00 0.00 C ATOM 300 O ASP A 21 2.062 -7.233 3.321 1.00 0.00 O ATOM 301 CB ASP A 21 2.855 -4.100 4.057 1.00 0.00 C ATOM 302 CG ASP A 21 3.882 -4.828 4.902 1.00 0.00 C ATOM 303 OD1 ASP A 21 4.770 -5.486 4.320 1.00 0.00 O ATOM 304 OD2 ASP A 21 3.798 -4.739 6.145 1.00 0.00 O ATOM 0 H ASP A 21 1.116 -3.349 2.339 1.00 0.00 H new ATOM 0 HA ASP A 21 3.314 -5.287 2.326 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.268 -3.146 3.730 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.979 -3.877 4.667 1.00 0.00 H new ATOM 309 N GLU A 22 0.313 -5.840 3.579 1.00 0.00 N ATOM 310 CA GLU A 22 -0.600 -6.891 4.011 1.00 0.00 C ATOM 311 C GLU A 22 -0.783 -7.938 2.915 1.00 0.00 C ATOM 312 O GLU A 22 -0.505 -9.120 3.119 1.00 0.00 O ATOM 313 CB GLU A 22 -1.957 -6.294 4.392 1.00 0.00 C ATOM 314 CG GLU A 22 -1.884 -5.307 5.545 1.00 0.00 C ATOM 315 CD GLU A 22 -0.750 -5.611 6.504 1.00 0.00 C ATOM 316 OE1 GLU A 22 0.393 -5.194 6.222 1.00 0.00 O ATOM 317 OE2 GLU A 22 -1.005 -6.267 7.536 1.00 0.00 O ATOM 0 H GLU A 22 -0.103 -4.909 3.540 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.166 -7.377 4.885 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.382 -5.793 3.522 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.638 -7.102 4.659 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.759 -4.300 5.148 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.828 -5.320 6.089 1.00 0.00 H new ATOM 324 N ARG A 23 -1.252 -7.494 1.754 1.00 0.00 N ATOM 325 CA ARG A 23 -1.474 -8.391 0.627 1.00 0.00 C ATOM 326 C ARG A 23 -0.336 -9.401 0.503 1.00 0.00 C ATOM 327 O ARG A 23 -0.569 -10.603 0.376 1.00 0.00 O ATOM 328 CB ARG A 23 -1.605 -7.592 -0.671 1.00 0.00 C ATOM 329 CG ARG A 23 -1.949 -8.446 -1.881 1.00 0.00 C ATOM 330 CD ARG A 23 -1.371 -7.860 -3.159 1.00 0.00 C ATOM 331 NE ARG A 23 0.019 -8.258 -3.365 1.00 0.00 N ATOM 332 CZ ARG A 23 0.378 -9.412 -3.916 1.00 0.00 C ATOM 333 NH1 ARG A 23 -0.545 -10.276 -4.316 1.00 0.00 N ATOM 334 NH2 ARG A 23 1.664 -9.703 -4.070 1.00 0.00 N ATOM 0 H ARG A 23 -1.486 -6.518 1.569 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.402 -8.935 0.806 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.375 -6.831 -0.543 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.668 -7.068 -0.861 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.565 -9.456 -1.736 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.032 -8.527 -1.974 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.971 -8.184 -4.010 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.435 -6.773 -3.120 1.00 0.00 H new ATOM 0 HE ARG A 23 0.754 -7.615 -3.070 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.534 -10.055 -4.201 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.266 -11.161 -4.739 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.377 -9.040 -3.765 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.939 -10.589 -4.493 1.00 0.00 H new ATOM 348 N LYS A 24 0.895 -8.903 0.539 1.00 0.00 N ATOM 349 CA LYS A 24 2.070 -9.759 0.432 1.00 0.00 C ATOM 350 C LYS A 24 1.873 -11.054 1.215 1.00 0.00 C ATOM 351 O LYS A 24 2.195 -12.139 0.729 1.00 0.00 O ATOM 352 CB LYS A 24 3.311 -9.025 0.946 1.00 0.00 C ATOM 353 CG LYS A 24 3.575 -7.708 0.236 1.00 0.00 C ATOM 354 CD LYS A 24 4.487 -7.896 -0.965 1.00 0.00 C ATOM 355 CE LYS A 24 4.191 -6.877 -2.055 1.00 0.00 C ATOM 356 NZ LYS A 24 5.103 -7.031 -3.222 1.00 0.00 N ATOM 0 H LYS A 24 1.105 -7.910 0.642 1.00 0.00 H new ATOM 0 HA LYS A 24 2.212 -10.008 -0.620 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.195 -8.836 2.013 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.180 -9.672 0.829 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.630 -7.272 -0.088 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.029 -7.003 0.932 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.527 -7.803 -0.652 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.363 -8.903 -1.363 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.158 -6.988 -2.385 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.289 -5.871 -1.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.869 -6.318 -3.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.087 -6.900 -2.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.991 -7.982 -3.627 1.00 0.00 H new ATOM 370 N ARG A 25 1.342 -10.933 2.427 1.00 0.00 N ATOM 371 CA ARG A 25 1.102 -12.094 3.275 1.00 0.00 C ATOM 372 C ARG A 25 -0.043 -12.940 2.727 1.00 0.00 C ATOM 373 O ARG A 25 -0.043 -14.165 2.860 1.00 0.00 O ATOM 374 CB ARG A 25 0.783 -11.650 4.704 1.00 0.00 C ATOM 375 CG ARG A 25 -0.697 -11.413 4.953 1.00 0.00 C ATOM 376 CD ARG A 25 -0.920 -10.353 6.019 1.00 0.00 C ATOM 377 NE ARG A 25 -2.238 -10.468 6.639 1.00 0.00 N ATOM 378 CZ ARG A 25 -2.523 -11.337 7.603 1.00 0.00 C ATOM 379 NH1 ARG A 25 -1.588 -12.160 8.056 1.00 0.00 N ATOM 380 NH2 ARG A 25 -3.745 -11.382 8.117 1.00 0.00 N ATOM 0 H ARG A 25 1.070 -10.043 2.844 1.00 0.00 H new ATOM 0 HA ARG A 25 2.008 -12.701 3.283 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.143 -12.408 5.400 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.331 -10.733 4.921 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.178 -11.104 4.025 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.169 -12.346 5.262 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.150 -10.442 6.785 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.814 -9.364 5.574 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.980 -9.848 6.314 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.647 -12.127 7.665 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.810 -12.826 8.796 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.467 -10.749 7.772 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.963 -12.049 8.857 1.00 0.00 H new ATOM 394 N LEU A 26 -1.017 -12.281 2.111 1.00 0.00 N ATOM 395 CA LEU A 26 -2.169 -12.972 1.542 1.00 0.00 C ATOM 396 C LEU A 26 -1.754 -13.838 0.357 1.00 0.00 C ATOM 397 O LEU A 26 -2.155 -14.997 0.252 1.00 0.00 O ATOM 398 CB LEU A 26 -3.230 -11.961 1.103 1.00 0.00 C ATOM 399 CG LEU A 26 -3.703 -10.977 2.174 1.00 0.00 C ATOM 400 CD1 LEU A 26 -4.945 -10.235 1.705 1.00 0.00 C ATOM 401 CD2 LEU A 26 -3.976 -11.703 3.483 1.00 0.00 C ATOM 0 H LEU A 26 -1.033 -11.268 1.992 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.590 -13.619 2.312 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.834 -11.390 0.263 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.096 -12.510 0.735 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.911 -10.248 2.345 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.267 -9.539 2.480 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.716 -9.683 0.794 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.743 -10.951 1.505 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.312 -10.987 4.233 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.750 -12.455 3.328 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.063 -12.188 3.827 1.00 0.00 H new ATOM 413 N ALA A 27 -0.947 -13.268 -0.531 1.00 0.00 N ATOM 414 CA ALA A 27 -0.474 -13.989 -1.706 1.00 0.00 C ATOM 415 C ALA A 27 0.240 -15.277 -1.310 1.00 0.00 C ATOM 416 O ALA A 27 -0.121 -16.362 -1.766 1.00 0.00 O ATOM 417 CB ALA A 27 0.449 -13.105 -2.532 1.00 0.00 C ATOM 0 H ALA A 27 -0.607 -12.309 -0.459 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.341 -14.256 -2.310 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.795 -13.657 -3.406 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.092 -12.215 -2.855 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.306 -12.809 -1.927 1.00 0.00 H new ATOM 423 N GLN A 28 1.252 -15.149 -0.459 1.00 0.00 N ATOM 424 CA GLN A 28 2.017 -16.304 -0.003 1.00 0.00 C ATOM 425 C GLN A 28 1.119 -17.296 0.730 1.00 0.00 C ATOM 426 O GLN A 28 1.306 -18.508 0.628 1.00 0.00 O ATOM 427 CB GLN A 28 3.158 -15.858 0.913 1.00 0.00 C ATOM 428 CG GLN A 28 2.691 -15.080 2.132 1.00 0.00 C ATOM 429 CD GLN A 28 3.659 -15.181 3.295 1.00 0.00 C ATOM 430 OE1 GLN A 28 4.788 -15.647 3.139 1.00 0.00 O ATOM 431 NE2 GLN A 28 3.221 -14.743 4.469 1.00 0.00 N ATOM 0 H GLN A 28 1.562 -14.258 -0.071 1.00 0.00 H new ATOM 0 HA GLN A 28 2.436 -16.799 -0.879 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.712 -16.737 1.243 1.00 0.00 H new ATOM 0 HB3 GLN A 28 3.851 -15.240 0.342 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.562 -14.032 1.862 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.715 -15.452 2.443 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.278 -14.364 4.552 1.00 0.00 H new ATOM 0 HE22 GLN A 28 3.828 -14.785 5.288 1.00 0.00 H new ATOM 440 N GLN A 29 0.147 -16.772 1.469 1.00 0.00 N ATOM 441 CA GLN A 29 -0.779 -17.612 2.220 1.00 0.00 C ATOM 442 C GLN A 29 -1.753 -18.320 1.284 1.00 0.00 C ATOM 443 O GLN A 29 -2.163 -19.452 1.540 1.00 0.00 O ATOM 444 CB GLN A 29 -1.551 -16.773 3.239 1.00 0.00 C ATOM 445 CG GLN A 29 -0.870 -16.685 4.595 1.00 0.00 C ATOM 446 CD GLN A 29 -1.848 -16.416 5.722 1.00 0.00 C ATOM 447 OE1 GLN A 29 -2.880 -17.078 5.836 1.00 0.00 O ATOM 448 NE2 GLN A 29 -1.527 -15.439 6.563 1.00 0.00 N ATOM 0 H GLN A 29 -0.020 -15.770 1.564 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.197 -18.367 2.749 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -1.684 -15.766 2.842 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.546 -17.199 3.368 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.341 -17.617 4.793 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.122 -15.893 4.571 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -0.661 -14.916 6.431 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.146 -15.212 7.341 1.00 0.00 H new ATOM 457 N ASN A 30 -2.119 -17.646 0.199 1.00 0.00 N ATOM 458 CA ASN A 30 -3.047 -18.211 -0.775 1.00 0.00 C ATOM 459 C ASN A 30 -2.497 -18.075 -2.192 1.00 0.00 C ATOM 460 O ASN A 30 -2.841 -17.155 -2.933 1.00 0.00 O ATOM 461 CB ASN A 30 -4.407 -17.518 -0.676 1.00 0.00 C ATOM 462 CG ASN A 30 -5.024 -17.649 0.703 1.00 0.00 C ATOM 463 OD1 ASN A 30 -5.346 -18.750 1.149 1.00 0.00 O ATOM 464 ND2 ASN A 30 -5.191 -16.522 1.386 1.00 0.00 N ATOM 0 H ASN A 30 -1.788 -16.708 -0.028 1.00 0.00 H new ATOM 0 HA ASN A 30 -3.169 -19.271 -0.551 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -4.292 -16.462 -0.921 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.084 -17.945 -1.416 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.601 -16.547 2.320 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -4.909 -15.631 0.977 1.00 0.00 H new ATOM 471 N PRO A 31 -1.621 -19.015 -2.579 1.00 0.00 N ATOM 472 CA PRO A 31 -1.006 -19.024 -3.909 1.00 0.00 C ATOM 473 C PRO A 31 -2.006 -19.364 -5.009 1.00 0.00 C ATOM 474 O PRO A 31 -1.683 -19.302 -6.195 1.00 0.00 O ATOM 475 CB PRO A 31 0.061 -20.117 -3.799 1.00 0.00 C ATOM 476 CG PRO A 31 -0.433 -21.021 -2.723 1.00 0.00 C ATOM 477 CD PRO A 31 -1.165 -20.142 -1.747 1.00 0.00 C ATOM 0 HA PRO A 31 -0.608 -18.046 -4.180 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.179 -20.651 -4.742 1.00 0.00 H new ATOM 0 HB3 PRO A 31 1.034 -19.696 -3.547 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.093 -21.787 -3.130 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.394 -21.538 -2.238 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.002 -20.665 -1.285 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.513 -19.808 -0.940 1.00 0.00 H new ATOM 485 N ASP A 32 -3.220 -19.723 -4.607 1.00 0.00 N ATOM 486 CA ASP A 32 -4.269 -20.071 -5.558 1.00 0.00 C ATOM 487 C ASP A 32 -5.324 -18.971 -5.631 1.00 0.00 C ATOM 488 O ASP A 32 -6.086 -18.891 -6.596 1.00 0.00 O ATOM 489 CB ASP A 32 -4.922 -21.397 -5.167 1.00 0.00 C ATOM 490 CG ASP A 32 -4.238 -22.590 -5.804 1.00 0.00 C ATOM 491 OD1 ASP A 32 -3.597 -22.412 -6.861 1.00 0.00 O ATOM 492 OD2 ASP A 32 -4.343 -23.702 -5.245 1.00 0.00 O ATOM 0 H ASP A 32 -3.502 -19.781 -3.628 1.00 0.00 H new ATOM 0 HA ASP A 32 -3.812 -20.177 -6.542 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.898 -21.505 -4.083 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.971 -21.383 -5.463 1.00 0.00 H new ATOM 497 N LEU A 33 -5.363 -18.128 -4.606 1.00 0.00 N ATOM 498 CA LEU A 33 -6.326 -17.033 -4.553 1.00 0.00 C ATOM 499 C LEU A 33 -5.810 -15.817 -5.316 1.00 0.00 C ATOM 500 O LEU A 33 -4.603 -15.642 -5.484 1.00 0.00 O ATOM 501 CB LEU A 33 -6.615 -16.652 -3.100 1.00 0.00 C ATOM 502 CG LEU A 33 -7.401 -17.676 -2.281 1.00 0.00 C ATOM 503 CD1 LEU A 33 -7.698 -17.134 -0.892 1.00 0.00 C ATOM 504 CD2 LEU A 33 -8.690 -18.053 -2.996 1.00 0.00 C ATOM 0 H LEU A 33 -4.740 -18.181 -3.800 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.249 -17.370 -5.024 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.665 -16.467 -2.598 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.167 -15.712 -3.095 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.792 -18.574 -2.175 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.258 -17.877 -0.324 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.762 -16.915 -0.379 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.288 -16.221 -0.976 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.237 -18.783 -2.399 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.304 -17.163 -3.133 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.454 -18.484 -3.969 1.00 0.00 H new ATOM 516 N HIS A 34 -6.733 -14.978 -5.776 1.00 0.00 N ATOM 517 CA HIS A 34 -6.372 -13.776 -6.520 1.00 0.00 C ATOM 518 C HIS A 34 -6.834 -12.522 -5.783 1.00 0.00 C ATOM 519 O HIS A 34 -7.560 -12.604 -4.794 1.00 0.00 O ATOM 520 CB HIS A 34 -6.984 -13.814 -7.920 1.00 0.00 C ATOM 521 CG HIS A 34 -8.458 -14.079 -7.923 1.00 0.00 C ATOM 522 ND1 HIS A 34 -9.400 -13.086 -8.083 1.00 0.00 N ATOM 523 CD2 HIS A 34 -9.150 -15.234 -7.785 1.00 0.00 C ATOM 524 CE1 HIS A 34 -10.609 -13.618 -8.043 1.00 0.00 C ATOM 525 NE2 HIS A 34 -10.485 -14.921 -7.863 1.00 0.00 N ATOM 0 H HIS A 34 -7.736 -15.108 -5.647 1.00 0.00 H new ATOM 0 HA HIS A 34 -5.286 -13.745 -6.608 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.793 -12.863 -8.417 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.483 -14.585 -8.505 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -8.730 -16.219 -7.640 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -11.540 -13.079 -8.141 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -11.255 -15.586 -7.793 1.00 0.00 H new ATOM 534 N ASN A 35 -6.407 -11.363 -6.274 1.00 0.00 N ATOM 535 CA ASN A 35 -6.777 -10.092 -5.661 1.00 0.00 C ATOM 536 C ASN A 35 -8.184 -10.159 -5.076 1.00 0.00 C ATOM 537 O ASN A 35 -8.361 -10.157 -3.858 1.00 0.00 O ATOM 538 CB ASN A 35 -6.694 -8.963 -6.691 1.00 0.00 C ATOM 539 CG ASN A 35 -5.292 -8.783 -7.239 1.00 0.00 C ATOM 540 OD1 ASN A 35 -4.350 -9.439 -6.794 1.00 0.00 O ATOM 541 ND2 ASN A 35 -5.147 -7.890 -8.212 1.00 0.00 N ATOM 0 H ASN A 35 -5.805 -11.278 -7.093 1.00 0.00 H new ATOM 0 HA ASN A 35 -6.076 -9.889 -4.851 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.378 -9.174 -7.513 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -7.024 -8.031 -6.232 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.227 -7.726 -8.621 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.956 -7.369 -8.550 1.00 0.00 H new ATOM 548 N ALA A 36 -9.181 -10.219 -5.952 1.00 0.00 N ATOM 549 CA ALA A 36 -10.572 -10.289 -5.522 1.00 0.00 C ATOM 550 C ALA A 36 -10.708 -11.086 -4.230 1.00 0.00 C ATOM 551 O ALA A 36 -11.484 -10.724 -3.346 1.00 0.00 O ATOM 552 CB ALA A 36 -11.432 -10.904 -6.617 1.00 0.00 C ATOM 0 H ALA A 36 -9.052 -10.221 -6.964 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.919 -9.274 -5.329 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -12.468 -10.950 -6.283 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.368 -10.292 -7.517 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.076 -11.911 -6.837 1.00 0.00 H new ATOM 558 N GLU A 37 -9.949 -12.172 -4.127 1.00 0.00 N ATOM 559 CA GLU A 37 -9.987 -13.021 -2.942 1.00 0.00 C ATOM 560 C GLU A 37 -9.195 -12.394 -1.798 1.00 0.00 C ATOM 561 O GLU A 37 -9.633 -12.402 -0.647 1.00 0.00 O ATOM 562 CB GLU A 37 -9.428 -14.409 -3.263 1.00 0.00 C ATOM 563 CG GLU A 37 -10.317 -15.225 -4.185 1.00 0.00 C ATOM 564 CD GLU A 37 -11.311 -16.083 -3.428 1.00 0.00 C ATOM 565 OE1 GLU A 37 -11.910 -15.578 -2.455 1.00 0.00 O ATOM 566 OE2 GLU A 37 -11.491 -17.259 -3.807 1.00 0.00 O ATOM 0 H GLU A 37 -9.300 -12.485 -4.849 1.00 0.00 H new ATOM 0 HA GLU A 37 -11.027 -13.119 -2.630 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.446 -14.298 -3.723 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.284 -14.957 -2.332 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.857 -14.553 -4.852 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.695 -15.864 -4.812 1.00 0.00 H new ATOM 573 N LEU A 38 -8.027 -11.851 -2.123 1.00 0.00 N ATOM 574 CA LEU A 38 -7.172 -11.219 -1.123 1.00 0.00 C ATOM 575 C LEU A 38 -7.884 -10.043 -0.463 1.00 0.00 C ATOM 576 O LEU A 38 -7.935 -9.943 0.762 1.00 0.00 O ATOM 577 CB LEU A 38 -5.868 -10.745 -1.766 1.00 0.00 C ATOM 578 CG LEU A 38 -5.218 -11.711 -2.758 1.00 0.00 C ATOM 579 CD1 LEU A 38 -3.908 -11.140 -3.279 1.00 0.00 C ATOM 580 CD2 LEU A 38 -4.990 -13.068 -2.109 1.00 0.00 C ATOM 0 H LEU A 38 -7.650 -11.835 -3.071 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.944 -11.958 -0.355 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.061 -9.803 -2.280 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.151 -10.534 -0.973 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.894 -11.844 -3.603 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.460 -11.841 -3.983 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.099 -10.192 -3.782 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.225 -10.977 -2.445 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.527 -13.743 -2.829 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.334 -12.953 -1.246 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.945 -13.482 -1.786 1.00 0.00 H new ATOM 592 N SER A 39 -8.435 -9.155 -1.285 1.00 0.00 N ATOM 593 CA SER A 39 -9.143 -7.984 -0.781 1.00 0.00 C ATOM 594 C SER A 39 -10.049 -8.358 0.389 1.00 0.00 C ATOM 595 O SER A 39 -9.953 -7.782 1.473 1.00 0.00 O ATOM 596 CB SER A 39 -9.972 -7.343 -1.897 1.00 0.00 C ATOM 597 OG SER A 39 -10.032 -5.936 -1.743 1.00 0.00 O ATOM 0 H SER A 39 -8.405 -9.224 -2.302 1.00 0.00 H new ATOM 0 HA SER A 39 -8.402 -7.266 -0.430 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.535 -7.588 -2.865 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.981 -7.756 -1.889 1.00 0.00 H new ATOM 0 HG SER A 39 -10.565 -5.550 -2.469 1.00 0.00 H new ATOM 603 N LYS A 40 -10.928 -9.328 0.162 1.00 0.00 N ATOM 604 CA LYS A 40 -11.851 -9.782 1.195 1.00 0.00 C ATOM 605 C LYS A 40 -11.193 -9.737 2.570 1.00 0.00 C ATOM 606 O LYS A 40 -11.857 -9.500 3.579 1.00 0.00 O ATOM 607 CB LYS A 40 -12.327 -11.205 0.892 1.00 0.00 C ATOM 608 CG LYS A 40 -13.253 -11.294 -0.308 1.00 0.00 C ATOM 609 CD LYS A 40 -14.712 -11.178 0.103 1.00 0.00 C ATOM 610 CE LYS A 40 -15.631 -11.146 -1.108 1.00 0.00 C ATOM 611 NZ LYS A 40 -15.872 -9.756 -1.585 1.00 0.00 N ATOM 0 H LYS A 40 -11.021 -9.815 -0.729 1.00 0.00 H new ATOM 0 HA LYS A 40 -12.710 -9.111 1.201 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -11.459 -11.840 0.718 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -12.841 -11.601 1.767 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -13.010 -10.502 -1.016 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -13.093 -12.242 -0.822 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -14.979 -12.020 0.742 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -14.854 -10.273 0.693 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -15.192 -11.735 -1.913 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -16.583 -11.613 -0.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -16.503 -9.777 -2.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -16.315 -9.200 -0.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -14.967 -9.319 -1.852 1.00 0.00 H new ATOM 625 N MET A 41 -9.884 -9.965 2.603 1.00 0.00 N ATOM 626 CA MET A 41 -9.136 -9.947 3.855 1.00 0.00 C ATOM 627 C MET A 41 -8.531 -8.570 4.107 1.00 0.00 C ATOM 628 O MET A 41 -8.472 -8.106 5.247 1.00 0.00 O ATOM 629 CB MET A 41 -8.031 -11.005 3.829 1.00 0.00 C ATOM 630 CG MET A 41 -8.517 -12.380 3.399 1.00 0.00 C ATOM 631 SD MET A 41 -7.177 -13.579 3.266 1.00 0.00 S ATOM 632 CE MET A 41 -7.376 -14.122 1.571 1.00 0.00 C ATOM 0 H MET A 41 -9.319 -10.164 1.777 1.00 0.00 H new ATOM 0 HA MET A 41 -9.828 -10.174 4.666 1.00 0.00 H new ATOM 0 HB2 MET A 41 -7.243 -10.679 3.151 1.00 0.00 H new ATOM 0 HB3 MET A 41 -7.587 -11.079 4.822 1.00 0.00 H new ATOM 0 HG2 MET A 41 -9.253 -12.742 4.117 1.00 0.00 H new ATOM 0 HG3 MET A 41 -9.023 -12.298 2.437 1.00 0.00 H new ATOM 0 HE1 MET A 41 -7.757 -15.143 1.558 1.00 0.00 H new ATOM 0 HE2 MET A 41 -8.080 -13.466 1.059 1.00 0.00 H new ATOM 0 HE3 MET A 41 -6.413 -14.088 1.062 1.00 0.00 H new ATOM 642 N LEU A 42 -8.084 -7.920 3.038 1.00 0.00 N ATOM 643 CA LEU A 42 -7.483 -6.595 3.144 1.00 0.00 C ATOM 644 C LEU A 42 -8.498 -5.576 3.652 1.00 0.00 C ATOM 645 O LEU A 42 -8.136 -4.588 4.289 1.00 0.00 O ATOM 646 CB LEU A 42 -6.933 -6.152 1.787 1.00 0.00 C ATOM 647 CG LEU A 42 -5.824 -7.023 1.196 1.00 0.00 C ATOM 648 CD1 LEU A 42 -5.414 -6.507 -0.175 1.00 0.00 C ATOM 649 CD2 LEU A 42 -4.624 -7.066 2.132 1.00 0.00 C ATOM 0 H LEU A 42 -8.126 -8.289 2.088 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.663 -6.651 3.860 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.759 -6.118 1.076 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.555 -5.134 1.885 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.207 -8.037 1.081 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.624 -7.139 -0.580 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.274 -6.528 -0.844 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.050 -5.484 -0.085 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.844 -7.690 1.696 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.241 -6.056 2.279 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.927 -7.482 3.093 1.00 0.00 H new ATOM 661 N GLY A 43 -9.773 -5.825 3.366 1.00 0.00 N ATOM 662 CA GLY A 43 -10.821 -4.921 3.802 1.00 0.00 C ATOM 663 C GLY A 43 -11.130 -5.062 5.280 1.00 0.00 C ATOM 664 O GLY A 43 -11.044 -4.094 6.035 1.00 0.00 O ATOM 0 H GLY A 43 -10.098 -6.636 2.840 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.521 -3.894 3.593 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.726 -5.113 3.225 1.00 0.00 H new ATOM 668 N LYS A 44 -11.492 -6.272 5.694 1.00 0.00 N ATOM 669 CA LYS A 44 -11.816 -6.537 7.091 1.00 0.00 C ATOM 670 C LYS A 44 -10.718 -6.016 8.012 1.00 0.00 C ATOM 671 O LYS A 44 -10.994 -5.529 9.109 1.00 0.00 O ATOM 672 CB LYS A 44 -12.014 -8.038 7.313 1.00 0.00 C ATOM 673 CG LYS A 44 -10.732 -8.844 7.198 1.00 0.00 C ATOM 674 CD LYS A 44 -10.934 -10.281 7.650 1.00 0.00 C ATOM 675 CE LYS A 44 -9.657 -11.096 7.504 1.00 0.00 C ATOM 676 NZ LYS A 44 -9.944 -12.542 7.291 1.00 0.00 N ATOM 0 H LYS A 44 -11.568 -7.084 5.082 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.743 -6.015 7.329 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.446 -8.197 8.301 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.735 -8.412 6.586 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.385 -8.832 6.165 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.953 -8.378 7.801 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.258 -10.294 8.691 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.729 -10.740 7.062 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.076 -10.714 6.665 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.045 -10.975 8.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.049 -13.063 7.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.477 -12.914 8.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.507 -12.660 6.425 1.00 0.00 H new ATOM 690 N SER A 45 -9.473 -6.120 7.560 1.00 0.00 N ATOM 691 CA SER A 45 -8.333 -5.662 8.345 1.00 0.00 C ATOM 692 C SER A 45 -8.184 -4.146 8.251 1.00 0.00 C ATOM 693 O SER A 45 -7.737 -3.496 9.197 1.00 0.00 O ATOM 694 CB SER A 45 -7.050 -6.343 7.866 1.00 0.00 C ATOM 695 OG SER A 45 -6.996 -7.691 8.298 1.00 0.00 O ATOM 0 H SER A 45 -9.228 -6.518 6.653 1.00 0.00 H new ATOM 0 HA SER A 45 -8.509 -5.929 9.387 1.00 0.00 H new ATOM 0 HB2 SER A 45 -6.999 -6.304 6.778 1.00 0.00 H new ATOM 0 HB3 SER A 45 -6.184 -5.801 8.246 1.00 0.00 H new ATOM 0 HG SER A 45 -6.167 -8.104 7.977 1.00 0.00 H new ATOM 701 N TRP A 46 -8.560 -3.591 7.105 1.00 0.00 N ATOM 702 CA TRP A 46 -8.468 -2.152 6.887 1.00 0.00 C ATOM 703 C TRP A 46 -9.490 -1.406 7.738 1.00 0.00 C ATOM 704 O TRP A 46 -9.130 -0.686 8.670 1.00 0.00 O ATOM 705 CB TRP A 46 -8.682 -1.825 5.408 1.00 0.00 C ATOM 706 CG TRP A 46 -8.615 -0.358 5.109 1.00 0.00 C ATOM 707 CD1 TRP A 46 -9.626 0.430 4.638 1.00 0.00 C ATOM 708 CD2 TRP A 46 -7.475 0.496 5.258 1.00 0.00 C ATOM 709 NE1 TRP A 46 -9.183 1.722 4.485 1.00 0.00 N ATOM 710 CE2 TRP A 46 -7.868 1.788 4.859 1.00 0.00 C ATOM 711 CE3 TRP A 46 -6.162 0.294 5.691 1.00 0.00 C ATOM 712 CZ2 TRP A 46 -6.993 2.872 4.881 1.00 0.00 C ATOM 713 CZ3 TRP A 46 -5.295 1.370 5.711 1.00 0.00 C ATOM 714 CH2 TRP A 46 -5.713 2.646 5.310 1.00 0.00 C ATOM 0 H TRP A 46 -8.931 -4.115 6.313 1.00 0.00 H new ATOM 0 HA TRP A 46 -7.470 -1.828 7.183 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -7.929 -2.344 4.816 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -9.653 -2.208 5.095 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -10.627 0.088 4.418 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -9.743 2.505 4.148 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -5.831 -0.685 6.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -7.313 3.856 4.571 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -4.277 1.225 6.042 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -5.012 3.467 5.340 1.00 0.00 H new ATOM 725 N LYS A 47 -10.766 -1.582 7.413 1.00 0.00 N ATOM 726 CA LYS A 47 -11.841 -0.926 8.149 1.00 0.00 C ATOM 727 C LYS A 47 -11.614 -1.033 9.653 1.00 0.00 C ATOM 728 O LYS A 47 -11.986 -0.138 10.411 1.00 0.00 O ATOM 729 CB LYS A 47 -13.191 -1.546 7.780 1.00 0.00 C ATOM 730 CG LYS A 47 -13.883 -0.851 6.621 1.00 0.00 C ATOM 731 CD LYS A 47 -14.803 -1.801 5.871 1.00 0.00 C ATOM 732 CE LYS A 47 -14.017 -2.750 4.980 1.00 0.00 C ATOM 733 NZ LYS A 47 -14.909 -3.534 4.081 1.00 0.00 N ATOM 0 H LYS A 47 -11.082 -2.174 6.644 1.00 0.00 H new ATOM 0 HA LYS A 47 -11.845 0.129 7.874 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -13.042 -2.596 7.527 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.845 -1.518 8.652 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -14.459 -0.004 6.995 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -13.135 -0.451 5.936 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -15.394 -2.375 6.584 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -15.504 -1.227 5.265 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.307 -2.181 4.380 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -13.436 -3.432 5.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -14.335 -4.169 3.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -15.570 -4.097 4.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -15.445 -2.884 3.471 1.00 0.00 H new ATOM 747 N ALA A 48 -11.001 -2.133 10.078 1.00 0.00 N ATOM 748 CA ALA A 48 -10.722 -2.354 11.492 1.00 0.00 C ATOM 749 C ALA A 48 -9.751 -1.308 12.030 1.00 0.00 C ATOM 750 O ALA A 48 -9.896 -0.834 13.158 1.00 0.00 O ATOM 751 CB ALA A 48 -10.165 -3.753 11.707 1.00 0.00 C ATOM 0 H ALA A 48 -10.688 -2.885 9.464 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.659 -2.259 12.041 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -9.961 -3.905 12.767 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -10.893 -4.490 11.368 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.241 -3.868 11.140 1.00 0.00 H new ATOM 757 N LEU A 49 -8.762 -0.952 11.217 1.00 0.00 N ATOM 758 CA LEU A 49 -7.767 0.039 11.612 1.00 0.00 C ATOM 759 C LEU A 49 -8.430 1.367 11.963 1.00 0.00 C ATOM 760 O LEU A 49 -9.484 1.709 11.425 1.00 0.00 O ATOM 761 CB LEU A 49 -6.749 0.244 10.489 1.00 0.00 C ATOM 762 CG LEU A 49 -5.896 -0.972 10.126 1.00 0.00 C ATOM 763 CD1 LEU A 49 -5.163 -0.737 8.814 1.00 0.00 C ATOM 764 CD2 LEU A 49 -4.909 -1.283 11.242 1.00 0.00 C ATOM 0 H LEU A 49 -8.628 -1.335 10.281 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.251 -0.333 12.497 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.284 0.567 9.596 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.083 1.058 10.774 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.556 -1.831 10.001 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.561 -1.613 8.572 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.888 -0.563 8.018 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.514 0.134 8.910 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.310 -2.151 10.967 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.254 -0.426 11.398 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.455 -1.495 12.161 1.00 0.00 H new ATOM 776 N THR A 50 -7.804 2.115 12.867 1.00 0.00 N ATOM 777 CA THR A 50 -8.332 3.407 13.288 1.00 0.00 C ATOM 778 C THR A 50 -7.614 4.551 12.582 1.00 0.00 C ATOM 779 O THR A 50 -6.568 4.353 11.962 1.00 0.00 O ATOM 780 CB THR A 50 -8.203 3.596 14.811 1.00 0.00 C ATOM 781 OG1 THR A 50 -6.904 4.107 15.133 1.00 0.00 O ATOM 782 CG2 THR A 50 -8.431 2.282 15.542 1.00 0.00 C ATOM 0 H THR A 50 -6.931 1.848 13.321 1.00 0.00 H new ATOM 0 HA THR A 50 -9.387 3.422 13.015 1.00 0.00 H new ATOM 0 HB THR A 50 -8.964 4.308 15.131 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.830 4.226 16.103 1.00 0.00 H new ATOM 0 HG21 THR A 50 -8.335 2.442 16.616 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.431 1.910 15.319 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.691 1.551 15.216 1.00 0.00 H new ATOM 790 N LEU A 51 -8.180 5.749 12.680 1.00 0.00 N ATOM 791 CA LEU A 51 -7.593 6.926 12.051 1.00 0.00 C ATOM 792 C LEU A 51 -6.090 6.988 12.307 1.00 0.00 C ATOM 793 O LEU A 51 -5.299 7.150 11.379 1.00 0.00 O ATOM 794 CB LEU A 51 -8.264 8.197 12.575 1.00 0.00 C ATOM 795 CG LEU A 51 -7.706 9.518 12.045 1.00 0.00 C ATOM 796 CD1 LEU A 51 -6.448 9.910 12.804 1.00 0.00 C ATOM 797 CD2 LEU A 51 -7.421 9.416 10.553 1.00 0.00 C ATOM 0 H LEU A 51 -9.045 5.930 13.189 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.757 6.853 10.976 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.325 8.150 12.331 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -8.186 8.203 13.662 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.455 10.295 12.200 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.066 10.853 12.412 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.683 10.025 13.862 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.693 9.134 12.682 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.024 10.365 10.193 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.691 8.627 10.375 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.344 9.183 10.021 1.00 0.00 H new ATOM 809 N ALA A 52 -5.705 6.856 13.572 1.00 0.00 N ATOM 810 CA ALA A 52 -4.297 6.893 13.949 1.00 0.00 C ATOM 811 C ALA A 52 -3.498 5.837 13.192 1.00 0.00 C ATOM 812 O ALA A 52 -2.300 5.999 12.964 1.00 0.00 O ATOM 813 CB ALA A 52 -4.148 6.694 15.450 1.00 0.00 C ATOM 0 H ALA A 52 -6.348 6.723 14.353 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.900 7.872 13.682 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.092 6.724 15.718 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.678 7.487 15.977 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.567 5.728 15.732 1.00 0.00 H new ATOM 819 N GLU A 53 -4.170 4.757 12.807 1.00 0.00 N ATOM 820 CA GLU A 53 -3.520 3.674 12.077 1.00 0.00 C ATOM 821 C GLU A 53 -3.428 4.000 10.589 1.00 0.00 C ATOM 822 O GLU A 53 -2.462 3.633 9.920 1.00 0.00 O ATOM 823 CB GLU A 53 -4.284 2.364 12.277 1.00 0.00 C ATOM 824 CG GLU A 53 -4.221 1.833 13.699 1.00 0.00 C ATOM 825 CD GLU A 53 -4.364 0.325 13.766 1.00 0.00 C ATOM 826 OE1 GLU A 53 -5.513 -0.159 13.824 1.00 0.00 O ATOM 827 OE2 GLU A 53 -3.327 -0.370 13.761 1.00 0.00 O ATOM 0 H GLU A 53 -5.163 4.608 12.988 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.510 3.560 12.470 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.327 2.516 12.001 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.881 1.611 11.599 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.272 2.125 14.150 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.011 2.296 14.291 1.00 0.00 H new ATOM 834 N LYS A 54 -4.441 4.692 10.077 1.00 0.00 N ATOM 835 CA LYS A 54 -4.476 5.069 8.669 1.00 0.00 C ATOM 836 C LYS A 54 -3.765 6.399 8.444 1.00 0.00 C ATOM 837 O LYS A 54 -3.545 6.811 7.305 1.00 0.00 O ATOM 838 CB LYS A 54 -5.923 5.162 8.181 1.00 0.00 C ATOM 839 CG LYS A 54 -6.759 3.939 8.517 1.00 0.00 C ATOM 840 CD LYS A 54 -8.245 4.225 8.382 1.00 0.00 C ATOM 841 CE LYS A 54 -8.703 4.122 6.935 1.00 0.00 C ATOM 842 NZ LYS A 54 -10.030 4.766 6.726 1.00 0.00 N ATOM 0 H LYS A 54 -5.249 5.003 10.617 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.956 4.299 8.099 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.390 6.043 8.621 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.924 5.307 7.101 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.484 3.117 7.856 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.541 3.616 9.535 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.809 3.521 8.994 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.461 5.223 8.763 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -7.965 4.593 6.286 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.759 3.073 6.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.307 4.675 5.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.740 4.300 7.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -9.971 5.773 6.978 1.00 0.00 H new ATOM 856 N ARG A 55 -3.408 7.066 9.537 1.00 0.00 N ATOM 857 CA ARG A 55 -2.721 8.350 9.458 1.00 0.00 C ATOM 858 C ARG A 55 -1.460 8.241 8.607 1.00 0.00 C ATOM 859 O ARG A 55 -1.232 9.026 7.686 1.00 0.00 O ATOM 860 CB ARG A 55 -2.362 8.847 10.859 1.00 0.00 C ATOM 861 CG ARG A 55 -2.436 10.358 11.007 1.00 0.00 C ATOM 862 CD ARG A 55 -3.857 10.822 11.287 1.00 0.00 C ATOM 863 NE ARG A 55 -4.050 12.229 10.948 1.00 0.00 N ATOM 864 CZ ARG A 55 -3.688 13.232 11.741 1.00 0.00 C ATOM 865 NH1 ARG A 55 -3.117 12.983 12.912 1.00 0.00 N ATOM 866 NH2 ARG A 55 -3.897 14.487 11.363 1.00 0.00 N ATOM 0 H ARG A 55 -3.583 6.739 10.487 1.00 0.00 H new ATOM 0 HA ARG A 55 -3.395 9.066 8.987 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -3.035 8.386 11.582 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -1.353 8.515 11.106 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.781 10.678 11.818 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -2.070 10.832 10.096 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -4.557 10.212 10.715 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -4.087 10.668 12.341 1.00 0.00 H new ATOM 0 HE ARG A 55 -4.486 12.454 10.054 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -2.955 12.020 13.206 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -2.840 13.755 13.519 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -4.336 14.682 10.463 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.619 15.256 11.972 1.00 0.00 H new ATOM 880 N PRO A 56 -0.619 7.244 8.920 1.00 0.00 N ATOM 881 CA PRO A 56 0.634 7.008 8.196 1.00 0.00 C ATOM 882 C PRO A 56 0.397 6.495 6.779 1.00 0.00 C ATOM 883 O PRO A 56 1.185 6.762 5.872 1.00 0.00 O ATOM 884 CB PRO A 56 1.337 5.942 9.040 1.00 0.00 C ATOM 885 CG PRO A 56 0.235 5.235 9.750 1.00 0.00 C ATOM 886 CD PRO A 56 -0.826 6.270 10.004 1.00 0.00 C ATOM 0 HA PRO A 56 1.212 7.924 8.074 1.00 0.00 H new ATOM 0 HB2 PRO A 56 1.910 5.256 8.415 1.00 0.00 H new ATOM 0 HB3 PRO A 56 2.037 6.392 9.744 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -0.156 4.416 9.146 1.00 0.00 H new ATOM 0 HG3 PRO A 56 0.589 4.801 10.685 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -1.826 5.837 9.970 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.711 6.731 10.985 1.00 0.00 H new ATOM 894 N PHE A 57 -0.693 5.757 6.597 1.00 0.00 N ATOM 895 CA PHE A 57 -1.033 5.206 5.290 1.00 0.00 C ATOM 896 C PHE A 57 -1.947 6.155 4.521 1.00 0.00 C ATOM 897 O PHE A 57 -2.214 5.953 3.336 1.00 0.00 O ATOM 898 CB PHE A 57 -1.710 3.843 5.449 1.00 0.00 C ATOM 899 CG PHE A 57 -0.967 2.906 6.358 1.00 0.00 C ATOM 900 CD1 PHE A 57 0.281 2.421 6.003 1.00 0.00 C ATOM 901 CD2 PHE A 57 -1.517 2.511 7.567 1.00 0.00 C ATOM 902 CE1 PHE A 57 0.968 1.559 6.838 1.00 0.00 C ATOM 903 CE2 PHE A 57 -0.835 1.650 8.405 1.00 0.00 C ATOM 904 CZ PHE A 57 0.409 1.172 8.040 1.00 0.00 C ATOM 0 H PHE A 57 -1.356 5.527 7.337 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.110 5.081 4.724 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.718 3.990 5.837 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.811 3.380 4.467 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.722 2.719 5.064 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.489 2.880 7.857 1.00 0.00 H new ATOM 0 HE1 PHE A 57 1.941 1.189 6.550 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.274 1.351 9.345 1.00 0.00 H new ATOM 0 HZ PHE A 57 0.943 0.497 8.693 1.00 0.00 H new ATOM 914 N VAL A 58 -2.426 7.189 5.205 1.00 0.00 N ATOM 915 CA VAL A 58 -3.310 8.170 4.587 1.00 0.00 C ATOM 916 C VAL A 58 -2.527 9.377 4.084 1.00 0.00 C ATOM 917 O VAL A 58 -2.870 9.970 3.062 1.00 0.00 O ATOM 918 CB VAL A 58 -4.393 8.649 5.572 1.00 0.00 C ATOM 919 CG1 VAL A 58 -5.003 9.960 5.100 1.00 0.00 C ATOM 920 CG2 VAL A 58 -5.465 7.584 5.744 1.00 0.00 C ATOM 0 H VAL A 58 -2.217 7.369 6.187 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.790 7.675 3.743 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.926 8.822 6.542 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.766 10.282 5.809 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.225 10.720 5.034 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.456 9.818 4.119 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -6.222 7.939 6.443 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.930 7.377 4.780 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.012 6.672 6.132 1.00 0.00 H new ATOM 930 N GLU A 59 -1.472 9.736 4.810 1.00 0.00 N ATOM 931 CA GLU A 59 -0.639 10.873 4.437 1.00 0.00 C ATOM 932 C GLU A 59 0.324 10.497 3.315 1.00 0.00 C ATOM 933 O GLU A 59 0.953 11.363 2.708 1.00 0.00 O ATOM 934 CB GLU A 59 0.144 11.379 5.650 1.00 0.00 C ATOM 935 CG GLU A 59 -0.732 11.705 6.848 1.00 0.00 C ATOM 936 CD GLU A 59 -1.203 13.146 6.850 1.00 0.00 C ATOM 937 OE1 GLU A 59 -1.805 13.575 5.843 1.00 0.00 O ATOM 938 OE2 GLU A 59 -0.971 13.845 7.858 1.00 0.00 O ATOM 0 H GLU A 59 -1.175 9.256 5.659 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.293 11.668 4.079 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.875 10.625 5.940 1.00 0.00 H new ATOM 0 HB3 GLU A 59 0.702 12.271 5.365 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.598 11.043 6.851 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.176 11.507 7.765 1.00 0.00 H new ATOM 945 N GLU A 60 0.435 9.199 3.048 1.00 0.00 N ATOM 946 CA GLU A 60 1.323 8.709 2.000 1.00 0.00 C ATOM 947 C GLU A 60 0.569 8.535 0.685 1.00 0.00 C ATOM 948 O GLU A 60 0.961 9.083 -0.344 1.00 0.00 O ATOM 949 CB GLU A 60 1.955 7.380 2.418 1.00 0.00 C ATOM 950 CG GLU A 60 2.587 6.617 1.266 1.00 0.00 C ATOM 951 CD GLU A 60 3.736 5.734 1.711 1.00 0.00 C ATOM 952 OE1 GLU A 60 4.376 6.064 2.732 1.00 0.00 O ATOM 953 OE2 GLU A 60 3.996 4.714 1.039 1.00 0.00 O ATOM 0 H GLU A 60 -0.078 8.469 3.542 1.00 0.00 H new ATOM 0 HA GLU A 60 2.111 9.448 1.852 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.715 7.571 3.176 1.00 0.00 H new ATOM 0 HB3 GLU A 60 1.192 6.755 2.882 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.828 6.002 0.782 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.946 7.326 0.520 1.00 0.00 H new ATOM 960 N ALA A 61 -0.515 7.767 0.728 1.00 0.00 N ATOM 961 CA ALA A 61 -1.325 7.521 -0.458 1.00 0.00 C ATOM 962 C ALA A 61 -1.786 8.831 -1.089 1.00 0.00 C ATOM 963 O ALA A 61 -1.850 8.953 -2.311 1.00 0.00 O ATOM 964 CB ALA A 61 -2.522 6.650 -0.109 1.00 0.00 C ATOM 0 H ALA A 61 -0.852 7.304 1.572 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.708 6.995 -1.186 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.118 6.475 -1.005 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.175 5.696 0.288 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -3.133 7.154 0.640 1.00 0.00 H new ATOM 970 N GLU A 62 -2.108 9.807 -0.246 1.00 0.00 N ATOM 971 CA GLU A 62 -2.566 11.107 -0.722 1.00 0.00 C ATOM 972 C GLU A 62 -1.506 11.769 -1.598 1.00 0.00 C ATOM 973 O GLU A 62 -1.823 12.372 -2.624 1.00 0.00 O ATOM 974 CB GLU A 62 -2.907 12.017 0.460 1.00 0.00 C ATOM 975 CG GLU A 62 -3.191 13.455 0.059 1.00 0.00 C ATOM 976 CD GLU A 62 -4.164 14.141 0.998 1.00 0.00 C ATOM 977 OE1 GLU A 62 -5.119 13.478 1.453 1.00 0.00 O ATOM 978 OE2 GLU A 62 -3.969 15.342 1.280 1.00 0.00 O ATOM 0 H GLU A 62 -2.060 9.722 0.769 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.463 10.951 -1.321 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.777 11.615 0.978 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.079 12.003 1.169 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.256 14.014 0.039 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.595 13.473 -0.953 1.00 0.00 H new ATOM 985 N ARG A 63 -0.249 11.653 -1.186 1.00 0.00 N ATOM 986 CA ARG A 63 0.858 12.241 -1.931 1.00 0.00 C ATOM 987 C ARG A 63 1.017 11.566 -3.290 1.00 0.00 C ATOM 988 O ARG A 63 1.202 12.233 -4.309 1.00 0.00 O ATOM 989 CB ARG A 63 2.158 12.121 -1.135 1.00 0.00 C ATOM 990 CG ARG A 63 2.079 12.729 0.256 1.00 0.00 C ATOM 991 CD ARG A 63 3.275 12.333 1.107 1.00 0.00 C ATOM 992 NE ARG A 63 3.430 13.200 2.272 1.00 0.00 N ATOM 993 CZ ARG A 63 4.567 13.328 2.947 1.00 0.00 C ATOM 994 NH1 ARG A 63 5.643 12.648 2.574 1.00 0.00 N ATOM 995 NH2 ARG A 63 4.630 14.137 3.996 1.00 0.00 N ATOM 0 H ARG A 63 0.029 11.157 -0.339 1.00 0.00 H new ATOM 0 HA ARG A 63 0.635 13.296 -2.092 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.424 11.068 -1.047 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.960 12.608 -1.690 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.031 13.815 0.177 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.160 12.404 0.744 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.159 11.301 1.437 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.180 12.375 0.501 1.00 0.00 H new ATOM 0 HE ARG A 63 2.621 13.737 2.585 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.599 12.025 1.767 1.00 0.00 H new ATOM 0 HH12 ARG A 63 6.515 12.748 3.094 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.805 14.662 4.286 1.00 0.00 H new ATOM 0 HH22 ARG A 63 5.504 14.234 4.513 1.00 0.00 H new ATOM 1009 N LEU A 64 0.944 10.240 -3.298 1.00 0.00 N ATOM 1010 CA LEU A 64 1.081 9.473 -4.532 1.00 0.00 C ATOM 1011 C LEU A 64 -0.012 9.846 -5.529 1.00 0.00 C ATOM 1012 O LEU A 64 0.250 10.006 -6.721 1.00 0.00 O ATOM 1013 CB LEU A 64 1.025 7.974 -4.233 1.00 0.00 C ATOM 1014 CG LEU A 64 1.879 7.491 -3.061 1.00 0.00 C ATOM 1015 CD1 LEU A 64 1.701 5.995 -2.851 1.00 0.00 C ATOM 1016 CD2 LEU A 64 3.345 7.828 -3.294 1.00 0.00 C ATOM 0 H LEU A 64 0.791 9.673 -2.464 1.00 0.00 H new ATOM 0 HA LEU A 64 2.048 9.713 -4.974 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.012 7.701 -4.037 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.333 7.434 -5.128 1.00 0.00 H new ATOM 0 HG LEU A 64 1.548 8.006 -2.159 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.317 5.669 -2.013 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.654 5.780 -2.638 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.005 5.462 -3.752 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.938 7.477 -2.449 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.690 7.342 -4.207 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.459 8.907 -3.393 1.00 0.00 H new ATOM 1028 N ARG A 65 -1.236 9.985 -5.031 1.00 0.00 N ATOM 1029 CA ARG A 65 -2.369 10.340 -5.878 1.00 0.00 C ATOM 1030 C ARG A 65 -2.144 11.693 -6.547 1.00 0.00 C ATOM 1031 O ARG A 65 -2.235 11.816 -7.768 1.00 0.00 O ATOM 1032 CB ARG A 65 -3.658 10.374 -5.055 1.00 0.00 C ATOM 1033 CG ARG A 65 -4.851 10.932 -5.813 1.00 0.00 C ATOM 1034 CD ARG A 65 -5.843 11.602 -4.875 1.00 0.00 C ATOM 1035 NE ARG A 65 -7.212 11.521 -5.379 1.00 0.00 N ATOM 1036 CZ ARG A 65 -8.172 12.373 -5.037 1.00 0.00 C ATOM 1037 NH1 ARG A 65 -7.914 13.364 -4.195 1.00 0.00 N ATOM 1038 NH2 ARG A 65 -9.393 12.234 -5.537 1.00 0.00 N ATOM 0 H ARG A 65 -1.469 9.857 -4.046 1.00 0.00 H new ATOM 0 HA ARG A 65 -2.462 9.581 -6.654 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.892 9.363 -4.720 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -3.493 10.976 -4.161 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.507 11.652 -6.556 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -5.348 10.127 -6.355 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -5.789 11.131 -3.894 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.567 12.648 -4.742 1.00 0.00 H new ATOM 0 HE ARG A 65 -7.443 10.769 -6.029 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.977 13.474 -3.808 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.653 14.017 -3.934 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -9.595 11.472 -6.185 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -10.129 12.889 -5.274 1.00 0.00 H new ATOM 1052 N VAL A 66 -1.852 12.706 -5.738 1.00 0.00 N ATOM 1053 CA VAL A 66 -1.613 14.050 -6.251 1.00 0.00 C ATOM 1054 C VAL A 66 -0.443 14.066 -7.227 1.00 0.00 C ATOM 1055 O VAL A 66 -0.487 14.746 -8.252 1.00 0.00 O ATOM 1056 CB VAL A 66 -1.329 15.044 -5.109 1.00 0.00 C ATOM 1057 CG1 VAL A 66 -2.568 15.238 -4.248 1.00 0.00 C ATOM 1058 CG2 VAL A 66 -0.155 14.567 -4.268 1.00 0.00 C ATOM 0 H VAL A 66 -1.775 12.622 -4.724 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.520 14.356 -6.772 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.066 16.007 -5.546 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.348 15.943 -3.447 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.380 15.628 -4.862 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.865 14.282 -3.818 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.032 15.281 -3.466 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.387 13.592 -3.839 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.733 14.486 -4.895 1.00 0.00 H new ATOM 1068 N GLN A 67 0.602 13.312 -6.902 1.00 0.00 N ATOM 1069 CA GLN A 67 1.785 13.240 -7.752 1.00 0.00 C ATOM 1070 C GLN A 67 1.444 12.636 -9.110 1.00 0.00 C ATOM 1071 O GLN A 67 2.164 12.836 -10.089 1.00 0.00 O ATOM 1072 CB GLN A 67 2.877 12.413 -7.072 1.00 0.00 C ATOM 1073 CG GLN A 67 3.744 13.217 -6.116 1.00 0.00 C ATOM 1074 CD GLN A 67 2.970 14.311 -5.407 1.00 0.00 C ATOM 1075 OE1 GLN A 67 2.557 15.294 -6.021 1.00 0.00 O ATOM 1076 NE2 GLN A 67 2.769 14.144 -4.105 1.00 0.00 N ATOM 0 H GLN A 67 0.654 12.743 -6.057 1.00 0.00 H new ATOM 0 HA GLN A 67 2.152 14.255 -7.908 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.412 11.593 -6.525 1.00 0.00 H new ATOM 0 HB3 GLN A 67 3.512 11.966 -7.837 1.00 0.00 H new ATOM 0 HG2 GLN A 67 4.180 12.547 -5.375 1.00 0.00 H new ATOM 0 HG3 GLN A 67 4.571 13.662 -6.669 1.00 0.00 H new ATOM 0 HE21 GLN A 67 3.129 13.313 -3.636 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.254 14.847 -3.574 1.00 0.00 H new ATOM 1085 N HIS A 68 0.341 11.895 -9.163 1.00 0.00 N ATOM 1086 CA HIS A 68 -0.095 11.262 -10.402 1.00 0.00 C ATOM 1087 C HIS A 68 -0.909 12.233 -11.251 1.00 0.00 C ATOM 1088 O HIS A 68 -0.758 12.282 -12.472 1.00 0.00 O ATOM 1089 CB HIS A 68 -0.925 10.014 -10.096 1.00 0.00 C ATOM 1090 CG HIS A 68 -1.498 9.363 -11.317 1.00 0.00 C ATOM 1091 ND1 HIS A 68 -0.750 8.589 -12.179 1.00 0.00 N ATOM 1092 CD2 HIS A 68 -2.756 9.371 -11.817 1.00 0.00 C ATOM 1093 CE1 HIS A 68 -1.523 8.152 -13.158 1.00 0.00 C ATOM 1094 NE2 HIS A 68 -2.745 8.612 -12.961 1.00 0.00 N ATOM 0 H HIS A 68 -0.266 11.719 -8.363 1.00 0.00 H new ATOM 0 HA HIS A 68 0.792 10.971 -10.965 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -0.301 9.293 -9.568 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.738 10.284 -9.423 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -3.610 9.880 -11.394 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -1.209 7.525 -13.979 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -3.550 8.433 -13.561 1.00 0.00 H new ATOM 1103 N MET A 69 -1.772 13.004 -10.597 1.00 0.00 N ATOM 1104 CA MET A 69 -2.609 13.974 -11.293 1.00 0.00 C ATOM 1105 C MET A 69 -1.779 15.155 -11.785 1.00 0.00 C ATOM 1106 O MET A 69 -2.002 15.668 -12.881 1.00 0.00 O ATOM 1107 CB MET A 69 -3.727 14.469 -10.373 1.00 0.00 C ATOM 1108 CG MET A 69 -4.602 13.353 -9.825 1.00 0.00 C ATOM 1109 SD MET A 69 -6.255 13.921 -9.382 1.00 0.00 S ATOM 1110 CE MET A 69 -6.144 13.921 -7.594 1.00 0.00 C ATOM 0 H MET A 69 -1.910 12.976 -9.587 1.00 0.00 H new ATOM 0 HA MET A 69 -3.052 13.479 -12.157 1.00 0.00 H new ATOM 0 HB2 MET A 69 -3.285 15.016 -9.540 1.00 0.00 H new ATOM 0 HB3 MET A 69 -4.352 15.174 -10.921 1.00 0.00 H new ATOM 0 HG2 MET A 69 -4.682 12.560 -10.569 1.00 0.00 H new ATOM 0 HG3 MET A 69 -4.124 12.919 -8.947 1.00 0.00 H new ATOM 0 HE1 MET A 69 -6.887 14.605 -7.183 1.00 0.00 H new ATOM 0 HE2 MET A 69 -6.329 12.915 -7.218 1.00 0.00 H new ATOM 0 HE3 MET A 69 -5.148 14.244 -7.291 1.00 0.00 H new ATOM 1120 N GLN A 70 -0.823 15.582 -10.966 1.00 0.00 N ATOM 1121 CA GLN A 70 0.040 16.703 -11.319 1.00 0.00 C ATOM 1122 C GLN A 70 0.808 16.416 -12.604 1.00 0.00 C ATOM 1123 O GLN A 70 1.045 17.315 -13.412 1.00 0.00 O ATOM 1124 CB GLN A 70 1.018 16.999 -10.181 1.00 0.00 C ATOM 1125 CG GLN A 70 2.179 16.020 -10.107 1.00 0.00 C ATOM 1126 CD GLN A 70 3.286 16.496 -9.187 1.00 0.00 C ATOM 1127 OE1 GLN A 70 3.100 16.596 -7.973 1.00 0.00 O ATOM 1128 NE2 GLN A 70 4.446 16.794 -9.760 1.00 0.00 N ATOM 0 H GLN A 70 -0.627 15.169 -10.054 1.00 0.00 H new ATOM 0 HA GLN A 70 -0.591 17.577 -11.483 1.00 0.00 H new ATOM 0 HB2 GLN A 70 1.412 18.008 -10.304 1.00 0.00 H new ATOM 0 HB3 GLN A 70 0.478 16.981 -9.235 1.00 0.00 H new ATOM 0 HG2 GLN A 70 1.813 15.054 -9.759 1.00 0.00 H new ATOM 0 HG3 GLN A 70 2.584 15.866 -11.107 1.00 0.00 H new ATOM 0 HE21 GLN A 70 4.556 16.697 -10.769 1.00 0.00 H new ATOM 0 HE22 GLN A 70 5.227 17.120 -9.191 1.00 0.00 H new ATOM 1137 N ASP A 71 1.196 15.159 -12.787 1.00 0.00 N ATOM 1138 CA ASP A 71 1.938 14.753 -13.975 1.00 0.00 C ATOM 1139 C ASP A 71 1.119 14.999 -15.238 1.00 0.00 C ATOM 1140 O ASP A 71 1.666 15.319 -16.294 1.00 0.00 O ATOM 1141 CB ASP A 71 2.323 13.275 -13.882 1.00 0.00 C ATOM 1142 CG ASP A 71 3.450 12.910 -14.828 1.00 0.00 C ATOM 1143 OD1 ASP A 71 3.217 12.903 -16.055 1.00 0.00 O ATOM 1144 OD2 ASP A 71 4.566 12.632 -14.341 1.00 0.00 O ATOM 0 H ASP A 71 1.009 14.403 -12.128 1.00 0.00 H new ATOM 0 HA ASP A 71 2.845 15.354 -14.029 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.622 13.044 -12.859 1.00 0.00 H new ATOM 0 HB3 ASP A 71 1.451 12.661 -14.106 1.00 0.00 H new ATOM 1149 N HIS A 72 -0.197 14.847 -15.123 1.00 0.00 N ATOM 1150 CA HIS A 72 -1.092 15.053 -16.256 1.00 0.00 C ATOM 1151 C HIS A 72 -2.378 15.745 -15.814 1.00 0.00 C ATOM 1152 O HIS A 72 -3.124 15.244 -14.972 1.00 0.00 O ATOM 1153 CB HIS A 72 -1.422 13.717 -16.922 1.00 0.00 C ATOM 1154 CG HIS A 72 -1.687 12.611 -15.947 1.00 0.00 C ATOM 1155 ND1 HIS A 72 -2.947 12.307 -15.477 1.00 0.00 N ATOM 1156 CD2 HIS A 72 -0.844 11.733 -15.354 1.00 0.00 C ATOM 1157 CE1 HIS A 72 -2.868 11.292 -14.636 1.00 0.00 C ATOM 1158 NE2 HIS A 72 -1.603 10.924 -14.544 1.00 0.00 N ATOM 0 H HIS A 72 -0.667 14.582 -14.257 1.00 0.00 H new ATOM 0 HA HIS A 72 -0.584 15.694 -16.976 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -2.296 13.845 -17.560 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -0.594 13.429 -17.570 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -3.806 12.791 -15.738 1.00 0.00 H new ATOM 0 HD2 HIS A 72 0.226 11.679 -15.492 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -3.697 10.840 -14.112 1.00 0.00 H new ATOM 1167 N PRO A 73 -2.644 16.926 -16.392 1.00 0.00 N ATOM 1168 CA PRO A 73 -3.840 17.712 -16.073 1.00 0.00 C ATOM 1169 C PRO A 73 -5.118 17.059 -16.589 1.00 0.00 C ATOM 1170 O PRO A 73 -6.207 17.616 -16.456 1.00 0.00 O ATOM 1171 CB PRO A 73 -3.591 19.042 -16.789 1.00 0.00 C ATOM 1172 CG PRO A 73 -2.668 18.703 -17.907 1.00 0.00 C ATOM 1173 CD PRO A 73 -1.800 17.584 -17.403 1.00 0.00 C ATOM 0 HA PRO A 73 -3.987 17.812 -14.998 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.521 19.472 -17.160 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.146 19.776 -16.117 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.224 18.397 -18.793 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.066 19.566 -18.191 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.524 16.898 -18.204 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -0.873 17.959 -16.970 1.00 0.00 H new ATOM 1181 N ASN A 74 -4.977 15.876 -17.178 1.00 0.00 N ATOM 1182 CA ASN A 74 -6.121 15.148 -17.714 1.00 0.00 C ATOM 1183 C ASN A 74 -7.260 15.102 -16.700 1.00 0.00 C ATOM 1184 O ASN A 74 -8.423 15.308 -17.048 1.00 0.00 O ATOM 1185 CB ASN A 74 -5.710 13.726 -18.102 1.00 0.00 C ATOM 1186 CG ASN A 74 -5.097 13.659 -19.487 1.00 0.00 C ATOM 1187 OD1 ASN A 74 -5.704 13.136 -20.422 1.00 0.00 O ATOM 1188 ND2 ASN A 74 -3.887 14.189 -19.625 1.00 0.00 N ATOM 0 H ASN A 74 -4.082 15.401 -17.296 1.00 0.00 H new ATOM 0 HA ASN A 74 -6.471 15.673 -18.603 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -4.995 13.346 -17.372 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -6.583 13.075 -18.062 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -3.424 14.173 -20.534 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -3.421 14.612 -18.822 1.00 0.00 H new ATOM 1195 N TYR A 75 -6.917 14.832 -15.446 1.00 0.00 N ATOM 1196 CA TYR A 75 -7.911 14.757 -14.381 1.00 0.00 C ATOM 1197 C TYR A 75 -8.802 15.995 -14.379 1.00 0.00 C ATOM 1198 O TYR A 75 -10.029 15.893 -14.394 1.00 0.00 O ATOM 1199 CB TYR A 75 -7.224 14.607 -13.023 1.00 0.00 C ATOM 1200 CG TYR A 75 -6.598 15.887 -12.517 1.00 0.00 C ATOM 1201 CD1 TYR A 75 -5.404 16.357 -13.048 1.00 0.00 C ATOM 1202 CD2 TYR A 75 -7.202 16.627 -11.507 1.00 0.00 C ATOM 1203 CE1 TYR A 75 -4.828 17.525 -12.587 1.00 0.00 C ATOM 1204 CE2 TYR A 75 -6.635 17.797 -11.042 1.00 0.00 C ATOM 1205 CZ TYR A 75 -5.447 18.242 -11.585 1.00 0.00 C ATOM 1206 OH TYR A 75 -4.878 19.407 -11.124 1.00 0.00 O ATOM 0 H TYR A 75 -5.959 14.661 -15.141 1.00 0.00 H new ATOM 0 HA TYR A 75 -8.536 13.883 -14.563 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -7.953 14.256 -12.293 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -6.453 13.840 -13.098 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -4.917 15.800 -13.835 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -8.131 16.281 -11.079 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -3.898 17.875 -13.009 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -7.119 18.361 -10.258 1.00 0.00 H new ATOM 0 HH TYR A 75 -5.441 19.789 -10.419 1.00 0.00 H new ATOM 1216 N LYS A 76 -8.175 17.167 -14.362 1.00 0.00 N ATOM 1217 CA LYS A 76 -8.908 18.427 -14.360 1.00 0.00 C ATOM 1218 C LYS A 76 -7.981 19.595 -14.684 1.00 0.00 C ATOM 1219 O LYS A 76 -6.818 19.607 -14.281 1.00 0.00 O ATOM 1220 CB LYS A 76 -9.574 18.652 -13.001 1.00 0.00 C ATOM 1221 CG LYS A 76 -10.948 18.016 -12.884 1.00 0.00 C ATOM 1222 CD LYS A 76 -11.799 18.716 -11.838 1.00 0.00 C ATOM 1223 CE LYS A 76 -11.495 18.204 -10.439 1.00 0.00 C ATOM 1224 NZ LYS A 76 -12.346 18.863 -9.410 1.00 0.00 N ATOM 0 H LYS A 76 -7.160 17.270 -14.349 1.00 0.00 H new ATOM 0 HA LYS A 76 -9.678 18.372 -15.129 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -8.929 18.251 -12.219 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.663 19.724 -12.822 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -11.452 18.055 -13.850 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.842 16.963 -12.623 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.619 19.790 -11.881 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -12.854 18.560 -12.062 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.653 17.126 -10.405 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.444 18.380 -10.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.108 18.487 -8.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -12.177 19.889 -9.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -13.348 18.674 -9.615 1.00 0.00 H new ATOM 1238 N SER A 77 -8.506 20.576 -15.412 1.00 0.00 N ATOM 1239 CA SER A 77 -7.725 21.748 -15.791 1.00 0.00 C ATOM 1240 C SER A 77 -8.596 22.771 -16.513 1.00 0.00 C ATOM 1241 O SER A 77 -9.333 22.433 -17.439 1.00 0.00 O ATOM 1242 CB SER A 77 -6.552 21.338 -16.685 1.00 0.00 C ATOM 1243 OG SER A 77 -5.551 22.340 -16.703 1.00 0.00 O ATOM 0 H SER A 77 -9.468 20.582 -15.751 1.00 0.00 H new ATOM 0 HA SER A 77 -7.337 22.205 -14.881 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.127 20.401 -16.325 1.00 0.00 H new ATOM 0 HB3 SER A 77 -6.909 21.158 -17.699 1.00 0.00 H new ATOM 0 HG SER A 77 -4.812 22.054 -17.279 1.00 0.00 H new ATOM 1249 N GLY A 78 -8.506 24.026 -16.082 1.00 0.00 N ATOM 1250 CA GLY A 78 -9.291 25.080 -16.697 1.00 0.00 C ATOM 1251 C GLY A 78 -8.765 26.462 -16.365 1.00 0.00 C ATOM 1252 O GLY A 78 -7.784 26.619 -15.639 1.00 0.00 O ATOM 0 H GLY A 78 -7.903 24.331 -15.318 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.291 24.945 -17.779 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -10.326 24.999 -16.365 1.00 0.00 H new ATOM 1256 N PRO A 79 -9.426 27.496 -16.907 1.00 0.00 N ATOM 1257 CA PRO A 79 -9.037 28.891 -16.680 1.00 0.00 C ATOM 1258 C PRO A 79 -9.306 29.343 -15.248 1.00 0.00 C ATOM 1259 O PRO A 79 -8.887 30.425 -14.839 1.00 0.00 O ATOM 1260 CB PRO A 79 -9.917 29.670 -17.661 1.00 0.00 C ATOM 1261 CG PRO A 79 -11.106 28.798 -17.877 1.00 0.00 C ATOM 1262 CD PRO A 79 -10.604 27.383 -17.783 1.00 0.00 C ATOM 0 HA PRO A 79 -7.968 29.045 -16.830 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -10.205 30.638 -17.252 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -9.392 29.863 -18.597 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -11.873 28.991 -17.127 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -11.558 28.988 -18.851 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -11.356 26.717 -17.361 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -10.340 26.985 -18.763 1.00 0.00 H new ATOM 1270 N SER A 80 -10.008 28.505 -14.491 1.00 0.00 N ATOM 1271 CA SER A 80 -10.336 28.820 -13.106 1.00 0.00 C ATOM 1272 C SER A 80 -9.153 29.479 -12.403 1.00 0.00 C ATOM 1273 O SER A 80 -8.287 28.799 -11.852 1.00 0.00 O ATOM 1274 CB SER A 80 -10.747 27.551 -12.356 1.00 0.00 C ATOM 1275 OG SER A 80 -11.980 27.049 -12.842 1.00 0.00 O ATOM 0 H SER A 80 -10.360 27.604 -14.814 1.00 0.00 H new ATOM 0 HA SER A 80 -11.171 29.520 -13.107 1.00 0.00 H new ATOM 0 HB2 SER A 80 -9.973 26.792 -12.467 1.00 0.00 H new ATOM 0 HB3 SER A 80 -10.833 27.766 -11.291 1.00 0.00 H new ATOM 0 HG SER A 80 -12.220 26.237 -12.348 1.00 0.00 H new ATOM 1281 N SER A 81 -9.123 30.807 -12.427 1.00 0.00 N ATOM 1282 CA SER A 81 -8.044 31.559 -11.797 1.00 0.00 C ATOM 1283 C SER A 81 -7.672 30.948 -10.449 1.00 0.00 C ATOM 1284 O SER A 81 -6.519 30.588 -10.216 1.00 0.00 O ATOM 1285 CB SER A 81 -8.455 33.021 -11.611 1.00 0.00 C ATOM 1286 OG SER A 81 -7.320 33.851 -11.434 1.00 0.00 O ATOM 0 H SER A 81 -9.834 31.385 -12.876 1.00 0.00 H new ATOM 0 HA SER A 81 -7.172 31.514 -12.450 1.00 0.00 H new ATOM 0 HB2 SER A 81 -9.022 33.356 -12.479 1.00 0.00 H new ATOM 0 HB3 SER A 81 -9.113 33.110 -10.747 1.00 0.00 H new ATOM 0 HG SER A 81 -7.609 34.780 -11.319 1.00 0.00 H new ATOM 1292 N GLY A 82 -8.658 30.836 -9.564 1.00 0.00 N ATOM 1293 CA GLY A 82 -8.415 30.269 -8.251 1.00 0.00 C ATOM 1294 C GLY A 82 -9.561 29.398 -7.774 1.00 0.00 C ATOM 1295 O GLY A 82 -9.363 28.233 -7.431 1.00 0.00 O ATOM 0 H GLY A 82 -9.621 31.128 -9.733 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.500 29.677 -8.278 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.253 31.075 -7.535 1.00 0.00 H new TER 1299 GLY A 82