USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 847 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 55 LYS NZ :NH3+ -118:sc= 2.5 (180deg=-1.62) USER MOD Set 1.2: A 67 TYR OH : rot 180:sc= 0.284 USER MOD Single : A 1 GLY N :NH3+ -152:sc= 1.01 (180deg=-0.179!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -156:sc= 0.689 (180deg=-0.772!) USER MOD Single : A 12 GLN : amide:sc= -0.0422 X(o=-0.042,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -128:sc= 0.554 (180deg=-1.07) USER MOD Single : A 14 CYS SG : rot 180:sc= -0.157 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 CYS SG : rot 180:sc= -1.62! USER MOD Single : A 18 HIS : no HE2:sc= 0.916 K(o=0.92,f=-2.8!) USER MOD Single : A 19 THR OG1 : rot -129:sc= 0.0112 USER MOD Single : A 22 LYS NZ :NH3+ -166:sc= -0.0154 (180deg=-0.203) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0.385 K(o=0.38,f=-1.1) USER MOD Single : A 33 HIS : no HE2:sc= -0.834 K(o=-0.83,f=-1.5) USER MOD Single : A 39 LYS NZ :NH3+ -163:sc= 1.28 (180deg=1.2) USER MOD Single : A 40 THR OG1 : rot -79:sc= 0.492 USER MOD Single : A 42 GLN : amide:sc= 1.2 K(o=1.2,f=-0.00023) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0215 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.00111 USER MOD Single : A 52 ASN : amide:sc= -0.0274 K(o=-0.027,f=-1.7!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 104:sc= -0.283 USER MOD Single : A 65 MET CE :methyl -174:sc= 0 (180deg=-0.00904) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 42:sc= 1.28 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.404 USER MOD Single : A 79 LYS NZ :NH3+ 169:sc=-0.00658 (180deg=-0.124) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 174:sc= 1.1 (180deg=0.989) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0358 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot -91:sc= 1.25 USER MOD Single : A 103 ASN : amide:sc= -0.123 K(o=-0.12,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.221 -3.871 -15.471 1.00 10.00 N ATOM 2 CA GLY A 1 -3.913 -3.950 -14.845 1.00 10.00 C ATOM 3 C GLY A 1 -3.399 -5.348 -15.128 1.00 10.00 C ATOM 4 O GLY A 1 -4.119 -6.309 -14.867 1.00 10.00 O ATOM 0 H1 GLY A 1 -5.421 -2.885 -15.735 1.00 10.00 H new ATOM 0 H2 GLY A 1 -5.235 -4.467 -16.323 1.00 10.00 H new ATOM 0 H3 GLY A 1 -5.946 -4.205 -14.804 1.00 10.00 H new ATOM 0 HA2 GLY A 1 -3.239 -3.196 -15.253 1.00 10.00 H new ATOM 0 HA3 GLY A 1 -3.982 -3.769 -13.772 1.00 10.00 H new ATOM 10 N ASP A 2 -2.226 -5.467 -15.735 1.00 10.00 N ATOM 11 CA ASP A 2 -1.559 -6.754 -15.859 1.00 10.00 C ATOM 12 C ASP A 2 -1.144 -7.259 -14.477 1.00 10.00 C ATOM 13 O ASP A 2 -0.455 -6.561 -13.736 1.00 10.00 O ATOM 14 CB ASP A 2 -0.301 -6.667 -16.719 1.00 10.00 C ATOM 15 CG ASP A 2 0.322 -8.047 -16.905 1.00 10.00 C ATOM 16 OD1 ASP A 2 -0.325 -9.057 -16.545 1.00 10.00 O ATOM 17 OD2 ASP A 2 1.504 -8.075 -17.300 1.00 10.00 O ATOM 0 H ASP A 2 -1.717 -4.686 -16.149 1.00 10.00 H new ATOM 0 HA ASP A 2 -2.267 -7.434 -16.332 1.00 10.00 H new ATOM 0 HB2 ASP A 2 -0.548 -6.240 -17.691 1.00 10.00 H new ATOM 0 HB3 ASP A 2 0.420 -5.997 -16.251 1.00 10.00 H new ATOM 22 N VAL A 3 -1.501 -8.498 -14.160 1.00 10.00 N ATOM 23 CA VAL A 3 -1.023 -9.181 -12.973 1.00 10.00 C ATOM 24 C VAL A 3 0.483 -9.433 -13.074 1.00 10.00 C ATOM 25 O VAL A 3 1.199 -9.286 -12.084 1.00 10.00 O ATOM 26 CB VAL A 3 -1.829 -10.482 -12.791 1.00 10.00 C ATOM 27 CG1 VAL A 3 -1.272 -11.371 -11.671 1.00 10.00 C ATOM 28 CG2 VAL A 3 -3.297 -10.158 -12.483 1.00 10.00 C ATOM 0 H VAL A 3 -2.137 -9.058 -14.728 1.00 10.00 H new ATOM 0 HA VAL A 3 -1.175 -8.561 -12.090 1.00 10.00 H new ATOM 0 HB VAL A 3 -1.747 -11.031 -13.729 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -1.878 -12.273 -11.587 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -0.243 -11.645 -11.902 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -1.299 -10.827 -10.727 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -3.856 -11.085 -12.357 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -3.356 -9.571 -11.566 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -3.724 -9.587 -13.307 1.00 10.00 H new ATOM 38 N GLU A 4 0.981 -9.828 -14.247 1.00 10.00 N ATOM 39 CA GLU A 4 2.381 -10.198 -14.379 1.00 10.00 C ATOM 40 C GLU A 4 3.267 -8.963 -14.246 1.00 10.00 C ATOM 41 O GLU A 4 4.143 -8.899 -13.381 1.00 10.00 O ATOM 42 CB GLU A 4 2.610 -10.951 -15.696 1.00 10.00 C ATOM 43 CG GLU A 4 2.802 -12.445 -15.408 1.00 10.00 C ATOM 44 CD GLU A 4 4.183 -12.691 -14.821 1.00 10.00 C ATOM 45 OE1 GLU A 4 5.156 -12.654 -15.605 1.00 10.00 O ATOM 46 OE2 GLU A 4 4.332 -12.823 -13.580 1.00 10.00 O ATOM 0 H GLU A 4 0.438 -9.898 -15.108 1.00 10.00 H new ATOM 0 HA GLU A 4 2.657 -10.877 -13.572 1.00 10.00 H new ATOM 0 HB2 GLU A 4 1.760 -10.805 -16.362 1.00 10.00 H new ATOM 0 HB3 GLU A 4 3.487 -10.553 -16.206 1.00 10.00 H new ATOM 0 HG2 GLU A 4 2.036 -12.791 -14.713 1.00 10.00 H new ATOM 0 HG3 GLU A 4 2.681 -13.019 -16.327 1.00 10.00 H new ATOM 53 N LYS A 5 3.030 -7.953 -15.078 1.00 10.00 N ATOM 54 CA LYS A 5 3.741 -6.703 -14.937 1.00 10.00 C ATOM 55 C LYS A 5 3.459 -6.110 -13.564 1.00 10.00 C ATOM 56 O LYS A 5 4.391 -5.638 -12.931 1.00 10.00 O ATOM 57 CB LYS A 5 3.511 -5.758 -16.118 1.00 10.00 C ATOM 58 CG LYS A 5 4.218 -6.322 -17.362 1.00 10.00 C ATOM 59 CD LYS A 5 4.999 -5.254 -18.133 1.00 10.00 C ATOM 60 CE LYS A 5 4.055 -4.223 -18.765 1.00 10.00 C ATOM 61 NZ LYS A 5 4.778 -3.315 -19.677 1.00 10.00 N ATOM 0 H LYS A 5 2.358 -7.982 -15.845 1.00 10.00 H new ATOM 0 HA LYS A 5 4.814 -6.887 -14.979 1.00 10.00 H new ATOM 0 HB2 LYS A 5 2.444 -5.649 -16.310 1.00 10.00 H new ATOM 0 HB3 LYS A 5 3.896 -4.765 -15.885 1.00 10.00 H new ATOM 0 HG2 LYS A 5 4.900 -7.116 -17.058 1.00 10.00 H new ATOM 0 HG3 LYS A 5 3.477 -6.773 -18.023 1.00 10.00 H new ATOM 0 HD2 LYS A 5 5.693 -4.751 -17.460 1.00 10.00 H new ATOM 0 HD3 LYS A 5 5.597 -5.728 -18.911 1.00 10.00 H new ATOM 0 HE2 LYS A 5 3.266 -4.738 -19.313 1.00 10.00 H new ATOM 0 HE3 LYS A 5 3.571 -3.642 -17.980 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 4.111 -2.631 -20.087 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 5.514 -2.806 -19.148 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 5.219 -3.868 -20.440 1.00 10.00 H new ATOM 75 N GLY A 6 2.239 -6.218 -13.038 1.00 10.00 N ATOM 76 CA GLY A 6 1.969 -5.854 -11.658 1.00 10.00 C ATOM 77 C GLY A 6 2.934 -6.499 -10.659 1.00 10.00 C ATOM 78 O GLY A 6 3.460 -5.817 -9.776 1.00 10.00 O ATOM 0 H GLY A 6 1.425 -6.556 -13.552 1.00 10.00 H new ATOM 0 HA2 GLY A 6 2.025 -4.770 -11.558 1.00 10.00 H new ATOM 0 HA3 GLY A 6 0.949 -6.145 -11.406 1.00 10.00 H new ATOM 82 N LYS A 7 3.173 -7.810 -10.791 1.00 10.00 N ATOM 83 CA LYS A 7 4.072 -8.551 -9.927 1.00 10.00 C ATOM 84 C LYS A 7 5.433 -7.891 -10.033 1.00 10.00 C ATOM 85 O LYS A 7 6.020 -7.478 -9.034 1.00 10.00 O ATOM 86 CB LYS A 7 4.099 -10.042 -10.319 1.00 10.00 C ATOM 87 CG LYS A 7 5.149 -10.831 -9.524 1.00 10.00 C ATOM 88 CD LYS A 7 5.226 -12.304 -9.964 1.00 10.00 C ATOM 89 CE LYS A 7 4.394 -13.213 -9.048 1.00 10.00 C ATOM 90 NZ LYS A 7 4.476 -14.635 -9.445 1.00 10.00 N ATOM 0 H LYS A 7 2.737 -8.384 -11.513 1.00 10.00 H new ATOM 0 HA LYS A 7 3.739 -8.527 -8.889 1.00 10.00 H new ATOM 0 HB2 LYS A 7 3.114 -10.478 -10.150 1.00 10.00 H new ATOM 0 HB3 LYS A 7 4.309 -10.132 -11.385 1.00 10.00 H new ATOM 0 HG2 LYS A 7 6.126 -10.364 -9.652 1.00 10.00 H new ATOM 0 HG3 LYS A 7 4.909 -10.783 -8.462 1.00 10.00 H new ATOM 0 HD2 LYS A 7 4.870 -12.397 -10.990 1.00 10.00 H new ATOM 0 HD3 LYS A 7 6.265 -12.632 -9.956 1.00 10.00 H new ATOM 0 HE2 LYS A 7 4.740 -13.104 -8.020 1.00 10.00 H new ATOM 0 HE3 LYS A 7 3.353 -12.891 -9.069 1.00 10.00 H new ATOM 0 HZ1 LYS A 7 3.899 -15.210 -8.798 1.00 10.00 H new ATOM 0 HZ2 LYS A 7 4.121 -14.745 -10.416 1.00 10.00 H new ATOM 0 HZ3 LYS A 7 5.466 -14.952 -9.400 1.00 10.00 H new ATOM 104 N LYS A 8 5.942 -7.796 -11.259 1.00 10.00 N ATOM 105 CA LYS A 8 7.298 -7.329 -11.440 1.00 10.00 C ATOM 106 C LYS A 8 7.436 -5.883 -10.954 1.00 10.00 C ATOM 107 O LYS A 8 8.406 -5.547 -10.281 1.00 10.00 O ATOM 108 CB LYS A 8 7.769 -7.539 -12.884 1.00 10.00 C ATOM 109 CG LYS A 8 8.308 -8.960 -13.128 1.00 10.00 C ATOM 110 CD LYS A 8 7.262 -10.077 -12.981 1.00 10.00 C ATOM 111 CE LYS A 8 7.881 -11.437 -13.342 1.00 10.00 C ATOM 112 NZ LYS A 8 6.880 -12.440 -13.763 1.00 10.00 N ATOM 0 H LYS A 8 5.444 -8.032 -12.117 1.00 10.00 H new ATOM 0 HA LYS A 8 7.967 -7.928 -10.822 1.00 10.00 H new ATOM 0 HB2 LYS A 8 6.940 -7.347 -13.565 1.00 10.00 H new ATOM 0 HB3 LYS A 8 8.548 -6.813 -13.118 1.00 10.00 H new ATOM 0 HG2 LYS A 8 8.731 -9.006 -14.132 1.00 10.00 H new ATOM 0 HG3 LYS A 8 9.123 -9.150 -12.430 1.00 10.00 H new ATOM 0 HD2 LYS A 8 6.886 -10.101 -11.958 1.00 10.00 H new ATOM 0 HD3 LYS A 8 6.409 -9.874 -13.629 1.00 10.00 H new ATOM 0 HE2 LYS A 8 8.605 -11.297 -14.144 1.00 10.00 H new ATOM 0 HE3 LYS A 8 8.429 -11.819 -12.481 1.00 10.00 H new ATOM 0 HZ1 LYS A 8 7.258 -13.396 -13.603 1.00 10.00 H new ATOM 0 HZ2 LYS A 8 6.009 -12.314 -13.209 1.00 10.00 H new ATOM 0 HZ3 LYS A 8 6.669 -12.316 -14.774 1.00 10.00 H new ATOM 126 N ILE A 9 6.449 -5.033 -11.236 1.00 10.00 N ATOM 127 CA ILE A 9 6.413 -3.665 -10.765 1.00 10.00 C ATOM 128 C ILE A 9 6.512 -3.672 -9.241 1.00 10.00 C ATOM 129 O ILE A 9 7.408 -3.037 -8.698 1.00 10.00 O ATOM 130 CB ILE A 9 5.152 -2.960 -11.295 1.00 10.00 C ATOM 131 CG1 ILE A 9 5.258 -2.731 -12.815 1.00 10.00 C ATOM 132 CG2 ILE A 9 4.968 -1.606 -10.610 1.00 10.00 C ATOM 133 CD1 ILE A 9 3.893 -2.413 -13.433 1.00 10.00 C ATOM 0 H ILE A 9 5.643 -5.288 -11.808 1.00 10.00 H new ATOM 0 HA ILE A 9 7.260 -3.094 -11.146 1.00 10.00 H new ATOM 0 HB ILE A 9 4.297 -3.601 -11.079 1.00 10.00 H new ATOM 0 HG12 ILE A 9 5.948 -1.911 -13.013 1.00 10.00 H new ATOM 0 HG13 ILE A 9 5.675 -3.619 -13.289 1.00 10.00 H new ATOM 0 HG21 ILE A 9 4.072 -1.121 -10.997 1.00 10.00 H new ATOM 0 HG22 ILE A 9 4.866 -1.753 -9.535 1.00 10.00 H new ATOM 0 HG23 ILE A 9 5.835 -0.977 -10.809 1.00 10.00 H new ATOM 0 HD11 ILE A 9 4.007 -2.258 -14.506 1.00 10.00 H new ATOM 0 HD12 ILE A 9 3.211 -3.245 -13.257 1.00 10.00 H new ATOM 0 HD13 ILE A 9 3.488 -1.510 -12.976 1.00 10.00 H new ATOM 145 N PHE A 10 5.641 -4.405 -8.544 1.00 10.00 N ATOM 146 CA PHE A 10 5.712 -4.512 -7.091 1.00 10.00 C ATOM 147 C PHE A 10 7.144 -4.829 -6.621 1.00 10.00 C ATOM 148 O PHE A 10 7.673 -4.164 -5.724 1.00 10.00 O ATOM 149 CB PHE A 10 4.692 -5.548 -6.607 1.00 10.00 C ATOM 150 CG PHE A 10 4.724 -5.776 -5.112 1.00 10.00 C ATOM 151 CD1 PHE A 10 4.097 -4.860 -4.247 1.00 10.00 C ATOM 152 CD2 PHE A 10 5.462 -6.851 -4.583 1.00 10.00 C ATOM 153 CE1 PHE A 10 4.182 -5.037 -2.857 1.00 10.00 C ATOM 154 CE2 PHE A 10 5.552 -7.022 -3.192 1.00 10.00 C ATOM 155 CZ PHE A 10 4.907 -6.119 -2.332 1.00 10.00 C ATOM 0 H PHE A 10 4.878 -4.933 -8.967 1.00 10.00 H new ATOM 0 HA PHE A 10 5.456 -3.551 -6.645 1.00 10.00 H new ATOM 0 HB2 PHE A 10 3.692 -5.224 -6.895 1.00 10.00 H new ATOM 0 HB3 PHE A 10 4.879 -6.494 -7.115 1.00 10.00 H new ATOM 0 HD1 PHE A 10 3.551 -4.021 -4.652 1.00 10.00 H new ATOM 0 HD2 PHE A 10 5.959 -7.544 -5.246 1.00 10.00 H new ATOM 0 HE1 PHE A 10 3.690 -4.342 -2.192 1.00 10.00 H new ATOM 0 HE2 PHE A 10 6.117 -7.847 -2.784 1.00 10.00 H new ATOM 0 HZ PHE A 10 4.969 -6.257 -1.263 1.00 10.00 H new ATOM 165 N VAL A 11 7.792 -5.806 -7.268 1.00 10.00 N ATOM 166 CA VAL A 11 9.173 -6.180 -6.962 1.00 10.00 C ATOM 167 C VAL A 11 10.176 -5.063 -7.301 1.00 10.00 C ATOM 168 O VAL A 11 11.229 -4.960 -6.678 1.00 10.00 O ATOM 169 CB VAL A 11 9.553 -7.510 -7.638 1.00 10.00 C ATOM 170 CG1 VAL A 11 10.982 -7.937 -7.271 1.00 10.00 C ATOM 171 CG2 VAL A 11 8.604 -8.628 -7.194 1.00 10.00 C ATOM 0 H VAL A 11 7.372 -6.357 -8.017 1.00 10.00 H new ATOM 0 HA VAL A 11 9.229 -6.326 -5.883 1.00 10.00 H new ATOM 0 HB VAL A 11 9.482 -7.350 -8.714 1.00 10.00 H new ATOM 0 HG11 VAL A 11 11.218 -8.880 -7.765 1.00 10.00 H new ATOM 0 HG12 VAL A 11 11.686 -7.171 -7.596 1.00 10.00 H new ATOM 0 HG13 VAL A 11 11.058 -8.064 -6.191 1.00 10.00 H new ATOM 0 HG21 VAL A 11 8.887 -9.561 -7.682 1.00 10.00 H new ATOM 0 HG22 VAL A 11 8.666 -8.750 -6.113 1.00 10.00 H new ATOM 0 HG23 VAL A 11 7.582 -8.369 -7.471 1.00 10.00 H new ATOM 181 N GLN A 12 9.894 -4.239 -8.307 1.00 10.00 N ATOM 182 CA GLN A 12 10.799 -3.180 -8.741 1.00 10.00 C ATOM 183 C GLN A 12 10.551 -1.866 -7.996 1.00 10.00 C ATOM 184 O GLN A 12 11.399 -0.978 -8.037 1.00 10.00 O ATOM 185 CB GLN A 12 10.670 -3.006 -10.256 1.00 10.00 C ATOM 186 CG GLN A 12 11.107 -4.292 -10.981 1.00 10.00 C ATOM 187 CD GLN A 12 12.618 -4.363 -11.168 1.00 10.00 C ATOM 188 OE1 GLN A 12 13.136 -3.970 -12.207 1.00 10.00 O ATOM 189 NE2 GLN A 12 13.339 -4.869 -10.171 1.00 10.00 N ATOM 0 H GLN A 12 9.029 -4.288 -8.845 1.00 10.00 H new ATOM 0 HA GLN A 12 11.821 -3.471 -8.498 1.00 10.00 H new ATOM 0 HB2 GLN A 12 9.638 -2.767 -10.515 1.00 10.00 H new ATOM 0 HB3 GLN A 12 11.284 -2.168 -10.586 1.00 10.00 H new ATOM 0 HG2 GLN A 12 10.772 -5.159 -10.412 1.00 10.00 H new ATOM 0 HG3 GLN A 12 10.619 -4.342 -11.955 1.00 10.00 H new ATOM 0 HE21 GLN A 12 12.878 -5.188 -9.319 1.00 10.00 H new ATOM 0 HE22 GLN A 12 14.353 -4.938 -10.259 1.00 10.00 H new ATOM 198 N LYS A 13 9.386 -1.718 -7.360 1.00 10.00 N ATOM 199 CA LYS A 13 8.964 -0.477 -6.724 1.00 10.00 C ATOM 200 C LYS A 13 8.951 -0.580 -5.194 1.00 10.00 C ATOM 201 O LYS A 13 9.401 0.346 -4.521 1.00 10.00 O ATOM 202 CB LYS A 13 7.572 -0.098 -7.238 1.00 10.00 C ATOM 203 CG LYS A 13 7.476 0.095 -8.758 1.00 10.00 C ATOM 204 CD LYS A 13 8.279 1.295 -9.276 1.00 10.00 C ATOM 205 CE LYS A 13 7.730 1.792 -10.624 1.00 10.00 C ATOM 206 NZ LYS A 13 8.107 0.942 -11.769 1.00 10.00 N ATOM 0 H LYS A 13 8.703 -2.470 -7.274 1.00 10.00 H new ATOM 0 HA LYS A 13 9.687 0.296 -6.984 1.00 10.00 H new ATOM 0 HB2 LYS A 13 6.867 -0.873 -6.939 1.00 10.00 H new ATOM 0 HB3 LYS A 13 7.258 0.824 -6.749 1.00 10.00 H new ATOM 0 HG2 LYS A 13 7.829 -0.809 -9.254 1.00 10.00 H new ATOM 0 HG3 LYS A 13 6.429 0.222 -9.034 1.00 10.00 H new ATOM 0 HD2 LYS A 13 8.242 2.103 -8.545 1.00 10.00 H new ATOM 0 HD3 LYS A 13 9.326 1.014 -9.388 1.00 10.00 H new ATOM 0 HE2 LYS A 13 6.643 1.846 -10.566 1.00 10.00 H new ATOM 0 HE3 LYS A 13 8.090 2.805 -10.801 1.00 10.00 H new ATOM 0 HZ1 LYS A 13 8.531 1.531 -12.514 1.00 10.00 H new ATOM 0 HZ2 LYS A 13 8.796 0.228 -11.459 1.00 10.00 H new ATOM 0 HZ3 LYS A 13 7.260 0.467 -12.142 1.00 10.00 H new ATOM 220 N CYS A 14 8.377 -1.656 -4.641 1.00 10.00 N ATOM 221 CA CYS A 14 7.975 -1.710 -3.234 1.00 10.00 C ATOM 222 C CYS A 14 8.796 -2.763 -2.471 1.00 10.00 C ATOM 223 O CYS A 14 9.319 -2.482 -1.396 1.00 10.00 O ATOM 224 CB CYS A 14 6.486 -1.984 -3.128 1.00 10.00 C ATOM 225 SG CYS A 14 5.482 -1.274 -4.489 1.00 10.00 S ATOM 0 H CYS A 14 8.179 -2.513 -5.158 1.00 10.00 H new ATOM 0 HA CYS A 14 8.177 -0.743 -2.773 1.00 10.00 H new ATOM 0 HB2 CYS A 14 6.329 -3.062 -3.102 1.00 10.00 H new ATOM 0 HB3 CYS A 14 6.123 -1.586 -2.180 1.00 10.00 H new ATOM 0 HG CYS A 14 4.229 -1.568 -4.303 1.00 10.00 H new ATOM 230 N ALA A 15 8.883 -3.971 -3.039 1.00 10.00 N ATOM 231 CA ALA A 15 9.536 -5.189 -2.546 1.00 10.00 C ATOM 232 C ALA A 15 10.187 -5.165 -1.160 1.00 10.00 C ATOM 233 O ALA A 15 9.644 -5.749 -0.226 1.00 10.00 O ATOM 234 CB ALA A 15 10.523 -5.701 -3.596 1.00 10.00 C ATOM 0 H ALA A 15 8.453 -4.136 -3.949 1.00 10.00 H new ATOM 0 HA ALA A 15 8.701 -5.871 -2.389 1.00 10.00 H new ATOM 0 HB1 ALA A 15 11.008 -6.606 -3.229 1.00 10.00 H new ATOM 0 HB2 ALA A 15 9.989 -5.925 -4.519 1.00 10.00 H new ATOM 0 HB3 ALA A 15 11.277 -4.938 -3.789 1.00 10.00 H new ATOM 240 N GLN A 16 11.372 -4.562 -0.993 1.00 10.00 N ATOM 241 CA GLN A 16 12.039 -4.519 0.302 1.00 10.00 C ATOM 242 C GLN A 16 11.382 -3.456 1.188 1.00 10.00 C ATOM 243 O GLN A 16 12.042 -2.568 1.721 1.00 10.00 O ATOM 244 CB GLN A 16 13.558 -4.329 0.137 1.00 10.00 C ATOM 245 CG GLN A 16 14.292 -5.669 -0.016 1.00 10.00 C ATOM 246 CD GLN A 16 15.782 -5.516 0.273 1.00 10.00 C ATOM 247 OE1 GLN A 16 16.250 -5.902 1.339 1.00 10.00 O ATOM 248 NE2 GLN A 16 16.538 -4.947 -0.660 1.00 10.00 N ATOM 0 H GLN A 16 11.884 -4.099 -1.744 1.00 10.00 H new ATOM 0 HA GLN A 16 11.918 -5.476 0.809 1.00 10.00 H new ATOM 0 HB2 GLN A 16 13.753 -3.707 -0.737 1.00 10.00 H new ATOM 0 HB3 GLN A 16 13.953 -3.796 1.002 1.00 10.00 H new ATOM 0 HG2 GLN A 16 13.860 -6.403 0.664 1.00 10.00 H new ATOM 0 HG3 GLN A 16 14.152 -6.050 -1.027 1.00 10.00 H new ATOM 0 HE21 GLN A 16 16.119 -4.636 -1.537 1.00 10.00 H new ATOM 0 HE22 GLN A 16 17.537 -4.821 -0.500 1.00 10.00 H new ATOM 257 N CYS A 17 10.074 -3.605 1.392 1.00 10.00 N ATOM 258 CA CYS A 17 9.307 -2.878 2.375 1.00 10.00 C ATOM 259 C CYS A 17 7.979 -3.582 2.624 1.00 10.00 C ATOM 260 O CYS A 17 7.618 -3.726 3.786 1.00 10.00 O ATOM 261 CB CYS A 17 9.115 -1.432 2.001 1.00 10.00 C ATOM 262 SG CYS A 17 8.706 -0.570 3.541 1.00 10.00 S ATOM 0 H CYS A 17 9.509 -4.261 0.853 1.00 10.00 H new ATOM 0 HA CYS A 17 9.875 -2.871 3.305 1.00 10.00 H new ATOM 0 HB2 CYS A 17 10.019 -1.021 1.552 1.00 10.00 H new ATOM 0 HB3 CYS A 17 8.316 -1.321 1.267 1.00 10.00 H new ATOM 0 HG CYS A 17 8.527 0.694 3.296 1.00 10.00 H new ATOM 267 N HIS A 18 7.271 -4.033 1.574 1.00 10.00 N ATOM 268 CA HIS A 18 6.019 -4.767 1.722 1.00 10.00 C ATOM 269 C HIS A 18 6.185 -6.179 1.201 1.00 10.00 C ATOM 270 O HIS A 18 6.937 -6.409 0.259 1.00 10.00 O ATOM 271 CB HIS A 18 4.914 -4.130 0.886 1.00 10.00 C ATOM 272 CG HIS A 18 4.293 -2.923 1.512 1.00 10.00 C ATOM 273 ND1 HIS A 18 3.311 -2.906 2.479 1.00 10.00 N ATOM 274 CD2 HIS A 18 4.428 -1.661 1.023 1.00 10.00 C ATOM 275 CE1 HIS A 18 2.858 -1.639 2.546 1.00 10.00 C ATOM 276 NE2 HIS A 18 3.519 -0.845 1.686 1.00 10.00 N ATOM 0 H HIS A 18 7.556 -3.895 0.604 1.00 10.00 H new ATOM 0 HA HIS A 18 5.760 -4.755 2.781 1.00 10.00 H new ATOM 0 HB2 HIS A 18 5.323 -3.852 -0.086 1.00 10.00 H new ATOM 0 HB3 HIS A 18 4.137 -4.872 0.705 1.00 10.00 H new ATOM 0 HD1 HIS A 18 2.990 -3.698 3.035 1.00 10.00 H new ATOM 0 HD2 HIS A 18 5.120 -1.348 0.255 1.00 10.00 H new ATOM 0 HE1 HIS A 18 2.069 -1.306 3.203 1.00 10.00 H new ATOM 284 N THR A 19 5.398 -7.095 1.759 1.00 10.00 N ATOM 285 CA THR A 19 5.421 -8.493 1.374 1.00 10.00 C ATOM 286 C THR A 19 4.186 -8.897 0.562 1.00 10.00 C ATOM 287 O THR A 19 4.295 -9.699 -0.358 1.00 10.00 O ATOM 288 CB THR A 19 5.576 -9.331 2.644 1.00 10.00 C ATOM 289 OG1 THR A 19 6.583 -8.777 3.479 1.00 10.00 O ATOM 290 CG2 THR A 19 5.933 -10.760 2.257 1.00 10.00 C ATOM 0 H THR A 19 4.724 -6.881 2.495 1.00 10.00 H new ATOM 0 HA THR A 19 6.267 -8.672 0.710 1.00 10.00 H new ATOM 0 HB THR A 19 4.637 -9.330 3.198 1.00 10.00 H new ATOM 0 HG1 THR A 19 7.219 -9.478 3.734 1.00 10.00 H new ATOM 0 HG21 THR A 19 6.045 -11.364 3.158 1.00 10.00 H new ATOM 0 HG22 THR A 19 5.140 -11.178 1.637 1.00 10.00 H new ATOM 0 HG23 THR A 19 6.870 -10.763 1.699 1.00 10.00 H new ATOM 298 N VAL A 20 3.017 -8.366 0.933 1.00 10.00 N ATOM 299 CA VAL A 20 1.710 -8.714 0.382 1.00 10.00 C ATOM 300 C VAL A 20 1.436 -10.218 0.465 1.00 10.00 C ATOM 301 O VAL A 20 0.729 -10.740 -0.388 1.00 10.00 O ATOM 302 CB VAL A 20 1.456 -8.123 -1.030 1.00 10.00 C ATOM 303 CG1 VAL A 20 1.607 -6.599 -1.031 1.00 10.00 C ATOM 304 CG2 VAL A 20 2.302 -8.692 -2.177 1.00 10.00 C ATOM 0 H VAL A 20 2.957 -7.651 1.658 1.00 10.00 H new ATOM 0 HA VAL A 20 0.972 -8.229 1.021 1.00 10.00 H new ATOM 0 HB VAL A 20 0.430 -8.430 -1.234 1.00 10.00 H new ATOM 0 HG11 VAL A 20 1.423 -6.216 -2.035 1.00 10.00 H new ATOM 0 HG12 VAL A 20 0.888 -6.162 -0.338 1.00 10.00 H new ATOM 0 HG13 VAL A 20 2.618 -6.333 -0.721 1.00 10.00 H new ATOM 0 HG21 VAL A 20 2.030 -8.198 -3.110 1.00 10.00 H new ATOM 0 HG22 VAL A 20 3.358 -8.520 -1.970 1.00 10.00 H new ATOM 0 HG23 VAL A 20 2.119 -9.763 -2.267 1.00 10.00 H new ATOM 314 N GLU A 21 1.952 -10.908 1.495 1.00 10.00 N ATOM 315 CA GLU A 21 1.692 -12.329 1.673 1.00 10.00 C ATOM 316 C GLU A 21 1.822 -12.765 3.140 1.00 10.00 C ATOM 317 O GLU A 21 2.093 -11.930 4.012 1.00 10.00 O ATOM 318 CB GLU A 21 2.478 -13.164 0.643 1.00 10.00 C ATOM 319 CG GLU A 21 3.838 -13.695 1.124 1.00 10.00 C ATOM 320 CD GLU A 21 3.838 -15.212 1.288 1.00 10.00 C ATOM 321 OE1 GLU A 21 2.770 -15.736 1.680 1.00 10.00 O ATOM 322 OE2 GLU A 21 4.898 -15.815 1.015 1.00 10.00 O ATOM 0 H GLU A 21 2.550 -10.497 2.212 1.00 10.00 H new ATOM 0 HA GLU A 21 0.645 -12.533 1.450 1.00 10.00 H new ATOM 0 HB2 GLU A 21 1.862 -14.011 0.342 1.00 10.00 H new ATOM 0 HB3 GLU A 21 2.639 -12.555 -0.246 1.00 10.00 H new ATOM 0 HG2 GLU A 21 4.611 -13.408 0.411 1.00 10.00 H new ATOM 0 HG3 GLU A 21 4.093 -13.228 2.075 1.00 10.00 H new ATOM 329 N LYS A 22 1.600 -14.051 3.428 1.00 10.00 N ATOM 330 CA LYS A 22 1.646 -14.585 4.786 1.00 10.00 C ATOM 331 C LYS A 22 3.077 -14.918 5.202 1.00 10.00 C ATOM 332 O LYS A 22 3.952 -15.143 4.376 1.00 10.00 O ATOM 333 CB LYS A 22 0.670 -15.757 4.972 1.00 10.00 C ATOM 334 CG LYS A 22 0.957 -17.052 4.202 1.00 10.00 C ATOM 335 CD LYS A 22 1.861 -18.021 4.979 1.00 10.00 C ATOM 336 CE LYS A 22 1.946 -19.390 4.289 1.00 10.00 C ATOM 337 NZ LYS A 22 0.659 -20.118 4.311 1.00 10.00 N ATOM 0 H LYS A 22 1.382 -14.752 2.719 1.00 10.00 H new ATOM 0 HA LYS A 22 1.303 -13.805 5.466 1.00 10.00 H new ATOM 0 HB2 LYS A 22 0.635 -15.999 6.034 1.00 10.00 H new ATOM 0 HB3 LYS A 22 -0.325 -15.413 4.690 1.00 10.00 H new ATOM 0 HG2 LYS A 22 0.014 -17.548 3.971 1.00 10.00 H new ATOM 0 HG3 LYS A 22 1.429 -16.806 3.251 1.00 10.00 H new ATOM 0 HD2 LYS A 22 2.860 -17.595 5.068 1.00 10.00 H new ATOM 0 HD3 LYS A 22 1.476 -18.146 5.991 1.00 10.00 H new ATOM 0 HE2 LYS A 22 2.264 -19.253 3.256 1.00 10.00 H new ATOM 0 HE3 LYS A 22 2.709 -19.994 4.780 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 0.819 -21.113 4.054 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 0.249 -20.069 5.265 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 0.004 -19.685 3.629 1.00 10.00 H new ATOM 351 N GLY A 23 3.349 -14.892 6.509 1.00 10.00 N ATOM 352 CA GLY A 23 4.712 -15.034 7.007 1.00 10.00 C ATOM 353 C GLY A 23 5.634 -13.917 6.503 1.00 10.00 C ATOM 354 O GLY A 23 6.852 -14.006 6.648 1.00 10.00 O ATOM 0 H GLY A 23 2.644 -14.774 7.236 1.00 10.00 H new ATOM 0 HA2 GLY A 23 4.701 -15.029 8.097 1.00 10.00 H new ATOM 0 HA3 GLY A 23 5.111 -16.000 6.697 1.00 10.00 H new ATOM 358 N GLY A 24 5.063 -12.830 5.969 1.00 10.00 N ATOM 359 CA GLY A 24 5.811 -11.733 5.383 1.00 10.00 C ATOM 360 C GLY A 24 6.578 -10.904 6.406 1.00 10.00 C ATOM 361 O GLY A 24 7.335 -10.014 6.016 1.00 10.00 O ATOM 0 H GLY A 24 4.053 -12.695 5.936 1.00 10.00 H new ATOM 0 HA2 GLY A 24 6.513 -12.133 4.651 1.00 10.00 H new ATOM 0 HA3 GLY A 24 5.123 -11.083 4.843 1.00 10.00 H new ATOM 365 N LYS A 25 6.362 -11.196 7.694 1.00 10.00 N ATOM 366 CA LYS A 25 6.852 -10.458 8.840 1.00 10.00 C ATOM 367 C LYS A 25 6.272 -9.046 8.859 1.00 10.00 C ATOM 368 O LYS A 25 5.530 -8.656 7.961 1.00 10.00 O ATOM 369 CB LYS A 25 8.386 -10.494 8.936 1.00 10.00 C ATOM 370 CG LYS A 25 8.937 -11.910 8.709 1.00 10.00 C ATOM 371 CD LYS A 25 10.410 -11.985 9.132 1.00 10.00 C ATOM 372 CE LYS A 25 11.038 -13.295 8.633 1.00 10.00 C ATOM 373 NZ LYS A 25 12.433 -13.460 9.097 1.00 10.00 N ATOM 0 H LYS A 25 5.805 -12.005 7.969 1.00 10.00 H new ATOM 0 HA LYS A 25 6.499 -10.953 9.745 1.00 10.00 H new ATOM 0 HB2 LYS A 25 8.813 -9.815 8.198 1.00 10.00 H new ATOM 0 HB3 LYS A 25 8.698 -10.135 9.917 1.00 10.00 H new ATOM 0 HG2 LYS A 25 8.351 -12.631 9.279 1.00 10.00 H new ATOM 0 HG3 LYS A 25 8.840 -12.181 7.658 1.00 10.00 H new ATOM 0 HD2 LYS A 25 10.956 -11.133 8.727 1.00 10.00 H new ATOM 0 HD3 LYS A 25 10.488 -11.926 10.218 1.00 10.00 H new ATOM 0 HE2 LYS A 25 10.440 -14.138 8.980 1.00 10.00 H new ATOM 0 HE3 LYS A 25 11.015 -13.315 7.543 1.00 10.00 H new ATOM 0 HZ1 LYS A 25 12.815 -14.357 8.736 1.00 10.00 H new ATOM 0 HZ2 LYS A 25 13.012 -12.671 8.745 1.00 10.00 H new ATOM 0 HZ3 LYS A 25 12.454 -13.468 10.137 1.00 10.00 H new ATOM 387 N HIS A 26 6.575 -8.288 9.911 1.00 10.00 N ATOM 388 CA HIS A 26 6.060 -6.937 10.033 1.00 10.00 C ATOM 389 C HIS A 26 6.864 -6.013 9.128 1.00 10.00 C ATOM 390 O HIS A 26 6.327 -5.471 8.168 1.00 10.00 O ATOM 391 CB HIS A 26 6.122 -6.491 11.504 1.00 10.00 C ATOM 392 CG HIS A 26 5.393 -7.397 12.466 1.00 10.00 C ATOM 393 ND1 HIS A 26 4.103 -7.866 12.341 1.00 10.00 N ATOM 394 CD2 HIS A 26 5.903 -7.902 13.633 1.00 10.00 C ATOM 395 CE1 HIS A 26 3.845 -8.631 13.417 1.00 10.00 C ATOM 396 NE2 HIS A 26 4.916 -8.692 14.225 1.00 10.00 N ATOM 0 H HIS A 26 7.170 -8.588 10.683 1.00 10.00 H new ATOM 0 HA HIS A 26 5.017 -6.898 9.719 1.00 10.00 H new ATOM 0 HB2 HIS A 26 7.167 -6.427 11.807 1.00 10.00 H new ATOM 0 HB3 HIS A 26 5.705 -5.487 11.584 1.00 10.00 H new ATOM 0 HD2 HIS A 26 6.893 -7.721 14.025 1.00 10.00 H new ATOM 0 HE1 HIS A 26 2.905 -9.128 13.605 1.00 10.00 H new ATOM 0 HE2 HIS A 26 4.993 -9.213 15.099 1.00 10.00 H new ATOM 404 N LYS A 27 8.155 -5.853 9.439 1.00 10.00 N ATOM 405 CA LYS A 27 9.042 -4.935 8.740 1.00 10.00 C ATOM 406 C LYS A 27 8.434 -3.520 8.727 1.00 10.00 C ATOM 407 O LYS A 27 7.572 -3.211 9.549 1.00 10.00 O ATOM 408 CB LYS A 27 9.428 -5.517 7.370 1.00 10.00 C ATOM 409 CG LYS A 27 10.256 -6.797 7.586 1.00 10.00 C ATOM 410 CD LYS A 27 10.413 -7.628 6.309 1.00 10.00 C ATOM 411 CE LYS A 27 11.209 -6.884 5.228 1.00 10.00 C ATOM 412 NZ LYS A 27 11.355 -7.696 4.003 1.00 10.00 N ATOM 0 H LYS A 27 8.612 -6.366 10.193 1.00 10.00 H new ATOM 0 HA LYS A 27 9.989 -4.821 9.267 1.00 10.00 H new ATOM 0 HB2 LYS A 27 8.533 -5.741 6.790 1.00 10.00 H new ATOM 0 HB3 LYS A 27 10.003 -4.788 6.799 1.00 10.00 H new ATOM 0 HG2 LYS A 27 11.243 -6.526 7.961 1.00 10.00 H new ATOM 0 HG3 LYS A 27 9.780 -7.407 8.354 1.00 10.00 H new ATOM 0 HD2 LYS A 27 10.915 -8.566 6.547 1.00 10.00 H new ATOM 0 HD3 LYS A 27 9.427 -7.884 5.921 1.00 10.00 H new ATOM 0 HE2 LYS A 27 10.707 -5.947 4.986 1.00 10.00 H new ATOM 0 HE3 LYS A 27 12.195 -6.627 5.614 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 11.898 -7.162 3.295 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 11.856 -8.579 4.229 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 10.414 -7.920 3.621 1.00 10.00 H new ATOM 426 N THR A 28 8.905 -2.636 7.845 1.00 10.00 N ATOM 427 CA THR A 28 8.357 -1.295 7.731 1.00 10.00 C ATOM 428 C THR A 28 6.964 -1.349 7.098 1.00 10.00 C ATOM 429 O THR A 28 5.984 -0.998 7.751 1.00 10.00 O ATOM 430 CB THR A 28 9.361 -0.401 6.998 1.00 10.00 C ATOM 431 OG1 THR A 28 10.609 -0.476 7.655 1.00 10.00 O ATOM 432 CG2 THR A 28 8.901 1.059 6.947 1.00 10.00 C ATOM 0 H THR A 28 9.669 -2.832 7.199 1.00 10.00 H new ATOM 0 HA THR A 28 8.209 -0.844 8.712 1.00 10.00 H new ATOM 0 HB THR A 28 9.443 -0.758 5.971 1.00 10.00 H new ATOM 0 HG1 THR A 28 11.258 0.093 7.190 1.00 10.00 H new ATOM 0 HG21 THR A 28 9.644 1.656 6.418 1.00 10.00 H new ATOM 0 HG22 THR A 28 7.946 1.122 6.425 1.00 10.00 H new ATOM 0 HG23 THR A 28 8.785 1.440 7.962 1.00 10.00 H new ATOM 440 N GLY A 29 6.848 -1.772 5.838 1.00 10.00 N ATOM 441 CA GLY A 29 5.557 -1.861 5.184 1.00 10.00 C ATOM 442 C GLY A 29 4.865 -3.135 5.656 1.00 10.00 C ATOM 443 O GLY A 29 5.461 -4.205 5.560 1.00 10.00 O ATOM 0 H GLY A 29 7.636 -2.056 5.257 1.00 10.00 H new ATOM 0 HA2 GLY A 29 4.949 -0.988 5.424 1.00 10.00 H new ATOM 0 HA3 GLY A 29 5.681 -1.876 4.101 1.00 10.00 H new ATOM 447 N PRO A 30 3.627 -3.068 6.167 1.00 10.00 N ATOM 448 CA PRO A 30 2.961 -4.259 6.655 1.00 10.00 C ATOM 449 C PRO A 30 2.863 -5.306 5.546 1.00 10.00 C ATOM 450 O PRO A 30 2.689 -4.971 4.367 1.00 10.00 O ATOM 451 CB PRO A 30 1.585 -3.810 7.156 1.00 10.00 C ATOM 452 CG PRO A 30 1.363 -2.441 6.509 1.00 10.00 C ATOM 453 CD PRO A 30 2.776 -1.898 6.297 1.00 10.00 C ATOM 0 HA PRO A 30 3.515 -4.733 7.465 1.00 10.00 H new ATOM 0 HB2 PRO A 30 0.808 -4.516 6.864 1.00 10.00 H new ATOM 0 HB3 PRO A 30 1.562 -3.742 8.244 1.00 10.00 H new ATOM 0 HG2 PRO A 30 0.823 -2.528 5.566 1.00 10.00 H new ATOM 0 HG3 PRO A 30 0.776 -1.786 7.153 1.00 10.00 H new ATOM 0 HD2 PRO A 30 2.827 -1.275 5.404 1.00 10.00 H new ATOM 0 HD3 PRO A 30 3.088 -1.277 7.137 1.00 10.00 H new ATOM 461 N ASN A 31 2.964 -6.583 5.930 1.00 10.00 N ATOM 462 CA ASN A 31 2.665 -7.675 5.028 1.00 10.00 C ATOM 463 C ASN A 31 1.184 -7.590 4.689 1.00 10.00 C ATOM 464 O ASN A 31 0.332 -7.968 5.487 1.00 10.00 O ATOM 465 CB ASN A 31 3.076 -9.033 5.613 1.00 10.00 C ATOM 466 CG ASN A 31 2.206 -9.552 6.754 1.00 10.00 C ATOM 467 OD1 ASN A 31 2.125 -8.939 7.815 1.00 10.00 O ATOM 468 ND2 ASN A 31 1.565 -10.701 6.544 1.00 10.00 N ATOM 0 H ASN A 31 3.252 -6.875 6.864 1.00 10.00 H new ATOM 0 HA ASN A 31 3.250 -7.588 4.112 1.00 10.00 H new ATOM 0 HB2 ASN A 31 3.069 -9.771 4.811 1.00 10.00 H new ATOM 0 HB3 ASN A 31 4.104 -8.959 5.969 1.00 10.00 H new ATOM 0 HD21 ASN A 31 0.982 -11.101 7.279 1.00 10.00 H new ATOM 0 HD22 ASN A 31 1.658 -11.180 5.648 1.00 10.00 H new ATOM 475 N LEU A 32 0.870 -7.009 3.530 1.00 10.00 N ATOM 476 CA LEU A 32 -0.482 -6.568 3.219 1.00 10.00 C ATOM 477 C LEU A 32 -1.420 -7.723 2.820 1.00 10.00 C ATOM 478 O LEU A 32 -2.170 -7.638 1.851 1.00 10.00 O ATOM 479 CB LEU A 32 -0.419 -5.418 2.194 1.00 10.00 C ATOM 480 CG LEU A 32 -0.484 -4.036 2.857 1.00 10.00 C ATOM 481 CD1 LEU A 32 -0.311 -2.973 1.765 1.00 10.00 C ATOM 482 CD2 LEU A 32 -1.814 -3.847 3.602 1.00 10.00 C ATOM 0 H LEU A 32 1.546 -6.833 2.786 1.00 10.00 H new ATOM 0 HA LEU A 32 -0.943 -6.176 4.126 1.00 10.00 H new ATOM 0 HB2 LEU A 32 0.503 -5.498 1.619 1.00 10.00 H new ATOM 0 HB3 LEU A 32 -1.244 -5.518 1.489 1.00 10.00 H new ATOM 0 HG LEU A 32 0.312 -3.941 3.595 1.00 10.00 H new ATOM 0 HD11 LEU A 32 -0.354 -1.980 2.213 1.00 10.00 H new ATOM 0 HD12 LEU A 32 0.653 -3.108 1.275 1.00 10.00 H new ATOM 0 HD13 LEU A 32 -1.109 -3.074 1.030 1.00 10.00 H new ATOM 0 HD21 LEU A 32 -1.836 -2.860 4.063 1.00 10.00 H new ATOM 0 HD22 LEU A 32 -2.641 -3.937 2.898 1.00 10.00 H new ATOM 0 HD23 LEU A 32 -1.910 -4.610 4.374 1.00 10.00 H new ATOM 494 N HIS A 33 -1.410 -8.811 3.586 1.00 10.00 N ATOM 495 CA HIS A 33 -2.096 -10.054 3.286 1.00 10.00 C ATOM 496 C HIS A 33 -3.584 -9.942 3.638 1.00 10.00 C ATOM 497 O HIS A 33 -4.071 -10.574 4.573 1.00 10.00 O ATOM 498 CB HIS A 33 -1.365 -11.165 4.043 1.00 10.00 C ATOM 499 CG HIS A 33 -1.882 -12.552 3.778 1.00 10.00 C ATOM 500 ND1 HIS A 33 -2.212 -13.103 2.559 1.00 10.00 N ATOM 501 CD2 HIS A 33 -2.117 -13.494 4.739 1.00 10.00 C ATOM 502 CE1 HIS A 33 -2.674 -14.344 2.795 1.00 10.00 C ATOM 503 NE2 HIS A 33 -2.633 -14.630 4.109 1.00 10.00 N ATOM 0 H HIS A 33 -0.901 -8.847 4.469 1.00 10.00 H new ATOM 0 HA HIS A 33 -2.073 -10.287 2.221 1.00 10.00 H new ATOM 0 HB2 HIS A 33 -0.308 -11.130 3.780 1.00 10.00 H new ATOM 0 HB3 HIS A 33 -1.435 -10.964 5.112 1.00 10.00 H new ATOM 0 HD1 HIS A 33 -2.123 -12.654 1.648 1.00 10.00 H new ATOM 0 HD2 HIS A 33 -1.936 -13.381 5.798 1.00 10.00 H new ATOM 0 HE1 HIS A 33 -3.030 -15.020 2.032 1.00 10.00 H new ATOM 511 N GLY A 34 -4.291 -9.099 2.885 1.00 10.00 N ATOM 512 CA GLY A 34 -5.729 -8.892 2.982 1.00 10.00 C ATOM 513 C GLY A 34 -6.062 -7.410 2.852 1.00 10.00 C ATOM 514 O GLY A 34 -6.788 -6.863 3.677 1.00 10.00 O ATOM 0 H GLY A 34 -3.858 -8.521 2.165 1.00 10.00 H new ATOM 0 HA2 GLY A 34 -6.238 -9.456 2.200 1.00 10.00 H new ATOM 0 HA3 GLY A 34 -6.094 -9.271 3.937 1.00 10.00 H new ATOM 518 N LEU A 35 -5.519 -6.755 1.823 1.00 10.00 N ATOM 519 CA LEU A 35 -5.680 -5.327 1.619 1.00 10.00 C ATOM 520 C LEU A 35 -7.115 -5.026 1.180 1.00 10.00 C ATOM 521 O LEU A 35 -7.843 -4.300 1.856 1.00 10.00 O ATOM 522 CB LEU A 35 -4.640 -4.835 0.591 1.00 10.00 C ATOM 523 CG LEU A 35 -4.705 -3.333 0.257 1.00 10.00 C ATOM 524 CD1 LEU A 35 -4.375 -2.444 1.456 1.00 10.00 C ATOM 525 CD2 LEU A 35 -3.753 -2.990 -0.883 1.00 10.00 C ATOM 0 H LEU A 35 -4.953 -7.210 1.107 1.00 10.00 H new ATOM 0 HA LEU A 35 -5.505 -4.790 2.551 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -3.644 -5.064 0.969 1.00 10.00 H new ATOM 0 HB3 LEU A 35 -4.769 -5.401 -0.331 1.00 10.00 H new ATOM 0 HG LEU A 35 -5.735 -3.136 -0.039 1.00 10.00 H new ATOM 0 HD11 LEU A 35 -4.437 -1.397 1.160 1.00 10.00 H new ATOM 0 HD12 LEU A 35 -5.087 -2.637 2.259 1.00 10.00 H new ATOM 0 HD13 LEU A 35 -3.366 -2.664 1.805 1.00 10.00 H new ATOM 0 HD21 LEU A 35 -3.816 -1.924 -1.101 1.00 10.00 H new ATOM 0 HD22 LEU A 35 -2.733 -3.241 -0.593 1.00 10.00 H new ATOM 0 HD23 LEU A 35 -4.028 -3.559 -1.771 1.00 10.00 H new ATOM 537 N PHE A 36 -7.521 -5.598 0.042 1.00 10.00 N ATOM 538 CA PHE A 36 -8.797 -5.331 -0.620 1.00 10.00 C ATOM 539 C PHE A 36 -9.971 -6.005 0.092 1.00 10.00 C ATOM 540 O PHE A 36 -10.696 -6.796 -0.507 1.00 10.00 O ATOM 541 CB PHE A 36 -8.740 -5.768 -2.091 1.00 10.00 C ATOM 542 CG PHE A 36 -7.614 -5.147 -2.889 1.00 10.00 C ATOM 543 CD1 PHE A 36 -6.341 -5.737 -2.856 1.00 10.00 C ATOM 544 CD2 PHE A 36 -7.818 -3.969 -3.629 1.00 10.00 C ATOM 545 CE1 PHE A 36 -5.271 -5.142 -3.536 1.00 10.00 C ATOM 546 CE2 PHE A 36 -6.752 -3.398 -4.345 1.00 10.00 C ATOM 547 CZ PHE A 36 -5.482 -3.993 -4.314 1.00 10.00 C ATOM 0 H PHE A 36 -6.951 -6.281 -0.458 1.00 10.00 H new ATOM 0 HA PHE A 36 -8.966 -4.255 -0.573 1.00 10.00 H new ATOM 0 HB2 PHE A 36 -8.641 -6.853 -2.131 1.00 10.00 H new ATOM 0 HB3 PHE A 36 -9.687 -5.517 -2.568 1.00 10.00 H new ATOM 0 HD1 PHE A 36 -6.186 -6.653 -2.305 1.00 10.00 H new ATOM 0 HD2 PHE A 36 -8.792 -3.504 -3.647 1.00 10.00 H new ATOM 0 HE1 PHE A 36 -4.281 -5.568 -3.462 1.00 10.00 H new ATOM 0 HE2 PHE A 36 -6.911 -2.498 -4.921 1.00 10.00 H new ATOM 0 HZ PHE A 36 -4.670 -3.569 -4.886 1.00 10.00 H new ATOM 557 N GLY A 37 -10.178 -5.669 1.362 1.00 10.00 N ATOM 558 CA GLY A 37 -11.255 -6.202 2.178 1.00 10.00 C ATOM 559 C GLY A 37 -10.908 -6.025 3.649 1.00 10.00 C ATOM 560 O GLY A 37 -10.979 -6.972 4.429 1.00 10.00 O ATOM 0 H GLY A 37 -9.586 -5.004 1.860 1.00 10.00 H new ATOM 0 HA2 GLY A 37 -12.189 -5.688 1.949 1.00 10.00 H new ATOM 0 HA3 GLY A 37 -11.408 -7.258 1.953 1.00 10.00 H new ATOM 564 N ARG A 38 -10.517 -4.806 4.024 1.00 10.00 N ATOM 565 CA ARG A 38 -10.136 -4.462 5.380 1.00 10.00 C ATOM 566 C ARG A 38 -10.235 -2.945 5.508 1.00 10.00 C ATOM 567 O ARG A 38 -10.406 -2.251 4.502 1.00 10.00 O ATOM 568 CB ARG A 38 -8.711 -4.970 5.658 1.00 10.00 C ATOM 569 CG ARG A 38 -8.442 -5.266 7.143 1.00 10.00 C ATOM 570 CD ARG A 38 -8.018 -6.731 7.302 1.00 10.00 C ATOM 571 NE ARG A 38 -7.815 -7.076 8.717 1.00 10.00 N ATOM 572 CZ ARG A 38 -7.960 -8.303 9.240 1.00 10.00 C ATOM 573 NH1 ARG A 38 -8.135 -9.358 8.434 1.00 10.00 N ATOM 574 NH2 ARG A 38 -7.933 -8.466 10.567 1.00 10.00 N ATOM 0 H ARG A 38 -10.458 -4.021 3.376 1.00 10.00 H new ATOM 0 HA ARG A 38 -10.792 -4.930 6.114 1.00 10.00 H new ATOM 0 HB2 ARG A 38 -8.538 -5.877 5.078 1.00 10.00 H new ATOM 0 HB3 ARG A 38 -7.995 -4.227 5.309 1.00 10.00 H new ATOM 0 HG2 ARG A 38 -7.660 -4.607 7.521 1.00 10.00 H new ATOM 0 HG3 ARG A 38 -9.338 -5.069 7.732 1.00 10.00 H new ATOM 0 HD2 ARG A 38 -8.780 -7.381 6.872 1.00 10.00 H new ATOM 0 HD3 ARG A 38 -7.097 -6.908 6.746 1.00 10.00 H new ATOM 0 HE ARG A 38 -7.543 -6.324 9.350 1.00 10.00 H new ATOM 0 HH11 ARG A 38 -8.158 -9.229 7.422 1.00 10.00 H new ATOM 0 HH12 ARG A 38 -8.245 -10.291 8.832 1.00 10.00 H new ATOM 0 HH21 ARG A 38 -7.803 -7.659 11.177 1.00 10.00 H new ATOM 0 HH22 ARG A 38 -8.043 -9.397 10.969 1.00 10.00 H new ATOM 588 N LYS A 39 -10.130 -2.445 6.739 1.00 10.00 N ATOM 589 CA LYS A 39 -10.020 -1.030 7.042 1.00 10.00 C ATOM 590 C LYS A 39 -8.568 -0.766 7.421 1.00 10.00 C ATOM 591 O LYS A 39 -7.923 -1.635 8.002 1.00 10.00 O ATOM 592 CB LYS A 39 -10.975 -0.664 8.194 1.00 10.00 C ATOM 593 CG LYS A 39 -12.000 0.409 7.793 1.00 10.00 C ATOM 594 CD LYS A 39 -13.102 0.482 8.863 1.00 10.00 C ATOM 595 CE LYS A 39 -14.276 1.399 8.480 1.00 10.00 C ATOM 596 NZ LYS A 39 -14.032 2.822 8.791 1.00 10.00 N ATOM 0 H LYS A 39 -10.119 -3.034 7.571 1.00 10.00 H new ATOM 0 HA LYS A 39 -10.300 -0.417 6.185 1.00 10.00 H new ATOM 0 HB2 LYS A 39 -11.502 -1.560 8.523 1.00 10.00 H new ATOM 0 HB3 LYS A 39 -10.393 -0.306 9.044 1.00 10.00 H new ATOM 0 HG2 LYS A 39 -11.510 1.377 7.692 1.00 10.00 H new ATOM 0 HG3 LYS A 39 -12.434 0.169 6.822 1.00 10.00 H new ATOM 0 HD2 LYS A 39 -13.483 -0.522 9.049 1.00 10.00 H new ATOM 0 HD3 LYS A 39 -12.666 0.836 9.797 1.00 10.00 H new ATOM 0 HE2 LYS A 39 -14.475 1.296 7.413 1.00 10.00 H new ATOM 0 HE3 LYS A 39 -15.172 1.068 9.005 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 -14.935 3.338 8.785 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 -13.594 2.902 9.731 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 -13.396 3.229 8.076 1.00 10.00 H new ATOM 610 N THR A 40 -8.087 0.434 7.101 1.00 10.00 N ATOM 611 CA THR A 40 -6.747 0.922 7.427 1.00 10.00 C ATOM 612 C THR A 40 -6.240 0.427 8.787 1.00 10.00 C ATOM 613 O THR A 40 -5.454 -0.514 8.886 1.00 10.00 O ATOM 614 CB THR A 40 -6.783 2.452 7.382 1.00 10.00 C ATOM 615 OG1 THR A 40 -7.870 2.924 8.157 1.00 10.00 O ATOM 616 CG2 THR A 40 -6.962 2.930 5.946 1.00 10.00 C ATOM 0 H THR A 40 -8.641 1.120 6.588 1.00 10.00 H new ATOM 0 HA THR A 40 -6.044 0.526 6.694 1.00 10.00 H new ATOM 0 HB THR A 40 -5.844 2.836 7.780 1.00 10.00 H new ATOM 0 HG1 THR A 40 -8.700 2.835 7.644 1.00 10.00 H new ATOM 0 HG21 THR A 40 -6.986 4.020 5.926 1.00 10.00 H new ATOM 0 HG22 THR A 40 -6.130 2.574 5.338 1.00 10.00 H new ATOM 0 HG23 THR A 40 -7.897 2.539 5.546 1.00 10.00 H new ATOM 624 N GLY A 41 -6.733 1.043 9.860 1.00 10.00 N ATOM 625 CA GLY A 41 -6.370 0.683 11.220 1.00 10.00 C ATOM 626 C GLY A 41 -7.025 -0.620 11.696 1.00 10.00 C ATOM 627 O GLY A 41 -7.546 -0.653 12.809 1.00 10.00 O ATOM 0 H GLY A 41 -7.401 1.812 9.804 1.00 10.00 H new ATOM 0 HA2 GLY A 41 -5.287 0.582 11.285 1.00 10.00 H new ATOM 0 HA3 GLY A 41 -6.656 1.492 11.892 1.00 10.00 H new ATOM 631 N GLN A 42 -7.003 -1.688 10.888 1.00 10.00 N ATOM 632 CA GLN A 42 -7.427 -3.039 11.266 1.00 10.00 C ATOM 633 C GLN A 42 -6.393 -4.065 10.775 1.00 10.00 C ATOM 634 O GLN A 42 -6.745 -5.176 10.366 1.00 10.00 O ATOM 635 CB GLN A 42 -8.829 -3.346 10.707 1.00 10.00 C ATOM 636 CG GLN A 42 -9.945 -2.455 11.269 1.00 10.00 C ATOM 637 CD GLN A 42 -10.315 -2.833 12.700 1.00 10.00 C ATOM 638 OE1 GLN A 42 -11.179 -3.675 12.915 1.00 10.00 O ATOM 639 NE2 GLN A 42 -9.677 -2.222 13.692 1.00 10.00 N ATOM 0 H GLN A 42 -6.679 -1.632 9.923 1.00 10.00 H new ATOM 0 HA GLN A 42 -7.487 -3.103 12.352 1.00 10.00 H new ATOM 0 HB2 GLN A 42 -8.806 -3.238 9.623 1.00 10.00 H new ATOM 0 HB3 GLN A 42 -9.071 -4.388 10.919 1.00 10.00 H new ATOM 0 HG2 GLN A 42 -9.625 -1.413 11.241 1.00 10.00 H new ATOM 0 HG3 GLN A 42 -10.827 -2.535 10.634 1.00 10.00 H new ATOM 0 HE21 GLN A 42 -8.962 -1.525 13.485 1.00 10.00 H new ATOM 0 HE22 GLN A 42 -9.902 -2.450 14.660 1.00 10.00 H new ATOM 648 N ALA A 43 -5.112 -3.687 10.822 1.00 10.00 N ATOM 649 CA ALA A 43 -3.989 -4.535 10.440 1.00 10.00 C ATOM 650 C ALA A 43 -3.878 -5.747 11.377 1.00 10.00 C ATOM 651 O ALA A 43 -4.340 -5.676 12.518 1.00 10.00 O ATOM 652 CB ALA A 43 -2.710 -3.696 10.495 1.00 10.00 C ATOM 0 H ALA A 43 -4.825 -2.760 11.135 1.00 10.00 H new ATOM 0 HA ALA A 43 -4.142 -4.914 9.430 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -1.857 -4.313 10.212 1.00 10.00 H new ATOM 0 HB2 ALA A 43 -2.795 -2.857 9.805 1.00 10.00 H new ATOM 0 HB3 ALA A 43 -2.565 -3.319 11.508 1.00 10.00 H new ATOM 658 N PRO A 44 -3.268 -6.862 10.938 1.00 10.00 N ATOM 659 CA PRO A 44 -3.201 -8.073 11.741 1.00 10.00 C ATOM 660 C PRO A 44 -2.160 -7.941 12.861 1.00 10.00 C ATOM 661 O PRO A 44 -1.085 -8.530 12.784 1.00 10.00 O ATOM 662 CB PRO A 44 -2.877 -9.193 10.745 1.00 10.00 C ATOM 663 CG PRO A 44 -2.046 -8.478 9.678 1.00 10.00 C ATOM 664 CD PRO A 44 -2.705 -7.098 9.612 1.00 10.00 C ATOM 0 HA PRO A 44 -4.135 -8.281 12.263 1.00 10.00 H new ATOM 0 HB2 PRO A 44 -2.319 -10.002 11.216 1.00 10.00 H new ATOM 0 HB3 PRO A 44 -3.781 -9.633 10.324 1.00 10.00 H new ATOM 0 HG2 PRO A 44 -0.995 -8.412 9.959 1.00 10.00 H new ATOM 0 HG3 PRO A 44 -2.088 -8.994 8.719 1.00 10.00 H new ATOM 0 HD2 PRO A 44 -1.977 -6.329 9.354 1.00 10.00 H new ATOM 0 HD3 PRO A 44 -3.481 -7.072 8.847 1.00 10.00 H new ATOM 672 N GLY A 45 -2.489 -7.178 13.910 1.00 10.00 N ATOM 673 CA GLY A 45 -1.656 -7.031 15.099 1.00 10.00 C ATOM 674 C GLY A 45 -0.247 -6.572 14.726 1.00 10.00 C ATOM 675 O GLY A 45 0.744 -7.232 15.031 1.00 10.00 O ATOM 0 H GLY A 45 -3.354 -6.640 13.953 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -2.110 -6.309 15.778 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -1.604 -7.981 15.631 1.00 10.00 H new ATOM 679 N PHE A 46 -0.181 -5.430 14.041 1.00 10.00 N ATOM 680 CA PHE A 46 1.023 -4.855 13.466 1.00 10.00 C ATOM 681 C PHE A 46 1.114 -3.400 13.937 1.00 10.00 C ATOM 682 O PHE A 46 0.106 -2.694 13.921 1.00 10.00 O ATOM 683 CB PHE A 46 0.899 -4.945 11.938 1.00 10.00 C ATOM 684 CG PHE A 46 1.761 -3.966 11.167 1.00 10.00 C ATOM 685 CD1 PHE A 46 3.091 -4.291 10.844 1.00 10.00 C ATOM 686 CD2 PHE A 46 1.251 -2.696 10.836 1.00 10.00 C ATOM 687 CE1 PHE A 46 3.914 -3.343 10.208 1.00 10.00 C ATOM 688 CE2 PHE A 46 2.071 -1.752 10.196 1.00 10.00 C ATOM 689 CZ PHE A 46 3.408 -2.070 9.900 1.00 10.00 C ATOM 0 H PHE A 46 -1.008 -4.858 13.867 1.00 10.00 H new ATOM 0 HA PHE A 46 1.926 -5.381 13.776 1.00 10.00 H new ATOM 0 HB2 PHE A 46 1.157 -5.957 11.627 1.00 10.00 H new ATOM 0 HB3 PHE A 46 -0.143 -4.783 11.663 1.00 10.00 H new ATOM 0 HD1 PHE A 46 3.481 -5.269 11.084 1.00 10.00 H new ATOM 0 HD2 PHE A 46 0.227 -2.447 11.075 1.00 10.00 H new ATOM 0 HE1 PHE A 46 4.934 -3.594 9.957 1.00 10.00 H new ATOM 0 HE2 PHE A 46 1.675 -0.783 9.932 1.00 10.00 H new ATOM 0 HZ PHE A 46 4.047 -1.334 9.435 1.00 10.00 H new ATOM 699 N THR A 47 2.301 -2.958 14.356 1.00 10.00 N ATOM 700 CA THR A 47 2.567 -1.600 14.807 1.00 10.00 C ATOM 701 C THR A 47 2.353 -0.591 13.671 1.00 10.00 C ATOM 702 O THR A 47 3.210 -0.446 12.803 1.00 10.00 O ATOM 703 CB THR A 47 4.010 -1.553 15.332 1.00 10.00 C ATOM 704 OG1 THR A 47 4.233 -2.685 16.153 1.00 10.00 O ATOM 705 CG2 THR A 47 4.278 -0.277 16.135 1.00 10.00 C ATOM 0 H THR A 47 3.126 -3.557 14.390 1.00 10.00 H new ATOM 0 HA THR A 47 1.874 -1.325 15.602 1.00 10.00 H new ATOM 0 HB THR A 47 4.689 -1.557 14.479 1.00 10.00 H new ATOM 0 HG1 THR A 47 5.152 -2.667 16.493 1.00 10.00 H new ATOM 0 HG21 THR A 47 5.309 -0.280 16.490 1.00 10.00 H new ATOM 0 HG22 THR A 47 4.115 0.594 15.500 1.00 10.00 H new ATOM 0 HG23 THR A 47 3.601 -0.235 16.988 1.00 10.00 H new ATOM 713 N TYR A 48 1.230 0.131 13.692 1.00 10.00 N ATOM 714 CA TYR A 48 0.892 1.145 12.706 1.00 10.00 C ATOM 715 C TYR A 48 1.351 2.516 13.199 1.00 10.00 C ATOM 716 O TYR A 48 1.417 2.762 14.402 1.00 10.00 O ATOM 717 CB TYR A 48 -0.622 1.127 12.441 1.00 10.00 C ATOM 718 CG TYR A 48 -1.491 1.167 13.687 1.00 10.00 C ATOM 719 CD1 TYR A 48 -1.665 2.370 14.396 1.00 10.00 C ATOM 720 CD2 TYR A 48 -2.058 -0.022 14.186 1.00 10.00 C ATOM 721 CE1 TYR A 48 -2.359 2.378 15.618 1.00 10.00 C ATOM 722 CE2 TYR A 48 -2.780 -0.007 15.391 1.00 10.00 C ATOM 723 CZ TYR A 48 -2.907 1.186 16.121 1.00 10.00 C ATOM 724 OH TYR A 48 -3.592 1.191 17.299 1.00 10.00 O ATOM 0 H TYR A 48 0.518 0.020 14.414 1.00 10.00 H new ATOM 0 HA TYR A 48 1.404 0.931 11.768 1.00 10.00 H new ATOM 0 HB2 TYR A 48 -0.876 1.980 11.811 1.00 10.00 H new ATOM 0 HB3 TYR A 48 -0.866 0.228 11.874 1.00 10.00 H new ATOM 0 HD1 TYR A 48 -1.264 3.291 13.999 1.00 10.00 H new ATOM 0 HD2 TYR A 48 -1.937 -0.947 13.641 1.00 10.00 H new ATOM 0 HE1 TYR A 48 -2.471 3.300 16.170 1.00 10.00 H new ATOM 0 HE2 TYR A 48 -3.238 -0.914 15.757 1.00 10.00 H new ATOM 0 HH TYR A 48 -3.904 0.284 17.500 1.00 10.00 H new ATOM 734 N THR A 49 1.644 3.417 12.263 1.00 10.00 N ATOM 735 CA THR A 49 1.975 4.798 12.564 1.00 10.00 C ATOM 736 C THR A 49 0.702 5.572 12.928 1.00 10.00 C ATOM 737 O THR A 49 -0.372 5.274 12.393 1.00 10.00 O ATOM 738 CB THR A 49 2.664 5.395 11.326 1.00 10.00 C ATOM 739 OG1 THR A 49 3.614 4.467 10.839 1.00 10.00 O ATOM 740 CG2 THR A 49 3.358 6.730 11.605 1.00 10.00 C ATOM 0 H THR A 49 1.657 3.201 11.266 1.00 10.00 H new ATOM 0 HA THR A 49 2.648 4.862 13.419 1.00 10.00 H new ATOM 0 HB THR A 49 1.887 5.592 10.588 1.00 10.00 H new ATOM 0 HG1 THR A 49 4.058 4.838 10.048 1.00 10.00 H new ATOM 0 HG21 THR A 49 3.824 7.096 10.690 1.00 10.00 H new ATOM 0 HG22 THR A 49 2.624 7.456 11.954 1.00 10.00 H new ATOM 0 HG23 THR A 49 4.122 6.590 12.370 1.00 10.00 H new ATOM 748 N ASP A 50 0.822 6.582 13.803 1.00 10.00 N ATOM 749 CA ASP A 50 -0.273 7.479 14.169 1.00 10.00 C ATOM 750 C ASP A 50 -0.613 8.395 12.997 1.00 10.00 C ATOM 751 O ASP A 50 -0.268 9.573 12.959 1.00 10.00 O ATOM 752 CB ASP A 50 0.071 8.284 15.422 1.00 10.00 C ATOM 753 CG ASP A 50 -1.115 9.134 15.875 1.00 10.00 C ATOM 754 OD1 ASP A 50 -2.252 8.799 15.473 1.00 10.00 O ATOM 755 OD2 ASP A 50 -0.864 10.084 16.646 1.00 10.00 O ATOM 0 H ASP A 50 1.697 6.798 14.280 1.00 10.00 H new ATOM 0 HA ASP A 50 -1.152 6.878 14.402 1.00 10.00 H new ATOM 0 HB2 ASP A 50 0.364 7.606 16.224 1.00 10.00 H new ATOM 0 HB3 ASP A 50 0.927 8.928 15.220 1.00 10.00 H new ATOM 760 N ALA A 51 -1.250 7.794 11.999 1.00 10.00 N ATOM 761 CA ALA A 51 -1.630 8.416 10.752 1.00 10.00 C ATOM 762 C ALA A 51 -2.575 7.454 10.048 1.00 10.00 C ATOM 763 O ALA A 51 -3.716 7.790 9.745 1.00 10.00 O ATOM 764 CB ALA A 51 -0.387 8.698 9.901 1.00 10.00 C ATOM 0 H ALA A 51 -1.525 6.813 12.047 1.00 10.00 H new ATOM 0 HA ALA A 51 -2.123 9.373 10.921 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -0.686 9.167 8.964 1.00 10.00 H new ATOM 0 HB2 ALA A 51 0.282 9.366 10.444 1.00 10.00 H new ATOM 0 HB3 ALA A 51 0.129 7.762 9.690 1.00 10.00 H new ATOM 770 N ASN A 52 -2.121 6.216 9.838 1.00 10.00 N ATOM 771 CA ASN A 52 -2.928 5.222 9.151 1.00 10.00 C ATOM 772 C ASN A 52 -4.204 4.933 9.937 1.00 10.00 C ATOM 773 O ASN A 52 -5.297 4.918 9.379 1.00 10.00 O ATOM 774 CB ASN A 52 -2.128 3.941 8.926 1.00 10.00 C ATOM 775 CG ASN A 52 -2.814 3.045 7.902 1.00 10.00 C ATOM 776 OD1 ASN A 52 -3.393 3.533 6.933 1.00 10.00 O ATOM 777 ND2 ASN A 52 -2.729 1.738 8.098 1.00 10.00 N ATOM 0 H ASN A 52 -1.203 5.885 10.135 1.00 10.00 H new ATOM 0 HA ASN A 52 -3.210 5.621 8.177 1.00 10.00 H new ATOM 0 HB2 ASN A 52 -1.124 4.190 8.583 1.00 10.00 H new ATOM 0 HB3 ASN A 52 -2.019 3.405 9.869 1.00 10.00 H new ATOM 0 HD21 ASN A 52 -3.154 1.094 7.431 1.00 10.00 H new ATOM 0 HD22 ASN A 52 -2.239 1.376 8.916 1.00 10.00 H new ATOM 784 N LYS A 53 -4.081 4.766 11.257 1.00 10.00 N ATOM 785 CA LYS A 53 -5.248 4.565 12.108 1.00 10.00 C ATOM 786 C LYS A 53 -6.213 5.751 12.024 1.00 10.00 C ATOM 787 O LYS A 53 -7.414 5.588 12.229 1.00 10.00 O ATOM 788 CB LYS A 53 -4.830 4.337 13.570 1.00 10.00 C ATOM 789 CG LYS A 53 -5.724 3.283 14.251 1.00 10.00 C ATOM 790 CD LYS A 53 -6.299 3.730 15.600 1.00 10.00 C ATOM 791 CE LYS A 53 -7.380 4.807 15.406 1.00 10.00 C ATOM 792 NZ LYS A 53 -8.211 4.988 16.615 1.00 10.00 N ATOM 0 H LYS A 53 -3.190 4.767 11.753 1.00 10.00 H new ATOM 0 HA LYS A 53 -5.762 3.676 11.744 1.00 10.00 H new ATOM 0 HB2 LYS A 53 -3.790 4.013 13.607 1.00 10.00 H new ATOM 0 HB3 LYS A 53 -4.890 5.277 14.118 1.00 10.00 H new ATOM 0 HG2 LYS A 53 -6.547 3.033 13.582 1.00 10.00 H new ATOM 0 HG3 LYS A 53 -5.145 2.371 14.399 1.00 10.00 H new ATOM 0 HD2 LYS A 53 -6.724 2.872 16.121 1.00 10.00 H new ATOM 0 HD3 LYS A 53 -5.499 4.121 16.229 1.00 10.00 H new ATOM 0 HE2 LYS A 53 -6.905 5.754 15.148 1.00 10.00 H new ATOM 0 HE3 LYS A 53 -8.018 4.532 14.566 1.00 10.00 H new ATOM 0 HZ1 LYS A 53 -8.925 5.723 16.438 1.00 10.00 H new ATOM 0 HZ2 LYS A 53 -8.686 4.092 16.847 1.00 10.00 H new ATOM 0 HZ3 LYS A 53 -7.607 5.276 17.411 1.00 10.00 H new ATOM 806 N ASN A 54 -5.677 6.945 11.755 1.00 10.00 N ATOM 807 CA ASN A 54 -6.454 8.167 11.627 1.00 10.00 C ATOM 808 C ASN A 54 -7.228 8.188 10.307 1.00 10.00 C ATOM 809 O ASN A 54 -8.215 8.904 10.180 1.00 10.00 O ATOM 810 CB ASN A 54 -5.514 9.377 11.721 1.00 10.00 C ATOM 811 CG ASN A 54 -6.242 10.581 12.295 1.00 10.00 C ATOM 812 OD1 ASN A 54 -6.675 11.471 11.572 1.00 10.00 O ATOM 813 ND2 ASN A 54 -6.372 10.612 13.619 1.00 10.00 N ATOM 0 H ASN A 54 -4.676 7.085 11.619 1.00 10.00 H new ATOM 0 HA ASN A 54 -7.182 8.211 12.437 1.00 10.00 H new ATOM 0 HB2 ASN A 54 -4.658 9.130 12.349 1.00 10.00 H new ATOM 0 HB3 ASN A 54 -5.125 9.619 10.732 1.00 10.00 H new ATOM 0 HD21 ASN A 54 -6.846 11.396 14.067 1.00 10.00 H new ATOM 0 HD22 ASN A 54 -5.998 9.851 14.186 1.00 10.00 H new ATOM 820 N LYS A 55 -6.772 7.407 9.323 1.00 10.00 N ATOM 821 CA LYS A 55 -7.332 7.361 7.985 1.00 10.00 C ATOM 822 C LYS A 55 -8.739 6.769 8.038 1.00 10.00 C ATOM 823 O LYS A 55 -9.717 7.420 7.684 1.00 10.00 O ATOM 824 CB LYS A 55 -6.382 6.540 7.117 1.00 10.00 C ATOM 825 CG LYS A 55 -6.529 6.858 5.628 1.00 10.00 C ATOM 826 CD LYS A 55 -5.426 6.120 4.862 1.00 10.00 C ATOM 827 CE LYS A 55 -4.030 6.720 5.113 1.00 10.00 C ATOM 828 NZ LYS A 55 -3.435 7.250 3.878 1.00 10.00 N ATOM 0 H LYS A 55 -5.981 6.775 9.447 1.00 10.00 H new ATOM 0 HA LYS A 55 -7.429 8.357 7.553 1.00 10.00 H new ATOM 0 HB2 LYS A 55 -5.355 6.731 7.427 1.00 10.00 H new ATOM 0 HB3 LYS A 55 -6.571 5.479 7.279 1.00 10.00 H new ATOM 0 HG2 LYS A 55 -7.511 6.549 5.270 1.00 10.00 H new ATOM 0 HG3 LYS A 55 -6.453 7.932 5.461 1.00 10.00 H new ATOM 0 HD2 LYS A 55 -5.425 5.070 5.155 1.00 10.00 H new ATOM 0 HD3 LYS A 55 -5.645 6.153 3.795 1.00 10.00 H new ATOM 0 HE2 LYS A 55 -4.104 7.518 5.852 1.00 10.00 H new ATOM 0 HE3 LYS A 55 -3.376 5.956 5.533 1.00 10.00 H new ATOM 0 HZ1 LYS A 55 -2.560 6.731 3.664 1.00 10.00 H new ATOM 0 HZ2 LYS A 55 -4.107 7.136 3.092 1.00 10.00 H new ATOM 0 HZ3 LYS A 55 -3.217 8.259 4.003 1.00 10.00 H new ATOM 842 N GLY A 56 -8.839 5.516 8.485 1.00 10.00 N ATOM 843 CA GLY A 56 -10.108 4.877 8.775 1.00 10.00 C ATOM 844 C GLY A 56 -10.896 4.470 7.527 1.00 10.00 C ATOM 845 O GLY A 56 -12.097 4.223 7.638 1.00 10.00 O ATOM 0 H GLY A 56 -8.030 4.918 8.655 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -9.927 3.991 9.384 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -10.717 5.555 9.372 1.00 10.00 H new ATOM 849 N ILE A 57 -10.254 4.348 6.361 1.00 10.00 N ATOM 850 CA ILE A 57 -10.936 4.089 5.089 1.00 10.00 C ATOM 851 C ILE A 57 -10.781 2.630 4.649 1.00 10.00 C ATOM 852 O ILE A 57 -10.135 1.840 5.344 1.00 10.00 O ATOM 853 CB ILE A 57 -10.485 5.101 4.017 1.00 10.00 C ATOM 854 CG1 ILE A 57 -9.060 4.848 3.503 1.00 10.00 C ATOM 855 CG2 ILE A 57 -10.685 6.525 4.548 1.00 10.00 C ATOM 856 CD1 ILE A 57 -8.583 5.930 2.532 1.00 10.00 C ATOM 0 H ILE A 57 -9.241 4.427 6.273 1.00 10.00 H new ATOM 0 HA ILE A 57 -12.006 4.238 5.232 1.00 10.00 H new ATOM 0 HB ILE A 57 -11.114 4.967 3.137 1.00 10.00 H new ATOM 0 HG12 ILE A 57 -8.376 4.798 4.350 1.00 10.00 H new ATOM 0 HG13 ILE A 57 -9.024 3.878 3.007 1.00 10.00 H new ATOM 0 HG21 ILE A 57 -10.367 7.243 3.792 1.00 10.00 H new ATOM 0 HG22 ILE A 57 -11.739 6.683 4.778 1.00 10.00 H new ATOM 0 HG23 ILE A 57 -10.092 6.663 5.452 1.00 10.00 H new ATOM 0 HD11 ILE A 57 -7.570 5.701 2.201 1.00 10.00 H new ATOM 0 HD12 ILE A 57 -9.248 5.964 1.669 1.00 10.00 H new ATOM 0 HD13 ILE A 57 -8.590 6.898 3.033 1.00 10.00 H new ATOM 868 N THR A 58 -11.403 2.290 3.512 1.00 10.00 N ATOM 869 CA THR A 58 -11.337 0.982 2.867 1.00 10.00 C ATOM 870 C THR A 58 -10.286 1.017 1.750 1.00 10.00 C ATOM 871 O THR A 58 -9.807 2.092 1.389 1.00 10.00 O ATOM 872 CB THR A 58 -12.720 0.593 2.304 1.00 10.00 C ATOM 873 OG1 THR A 58 -13.019 1.278 1.104 1.00 10.00 O ATOM 874 CG2 THR A 58 -13.861 0.833 3.298 1.00 10.00 C ATOM 0 H THR A 58 -11.989 2.949 3.000 1.00 10.00 H new ATOM 0 HA THR A 58 -11.048 0.230 3.601 1.00 10.00 H new ATOM 0 HB THR A 58 -12.648 -0.477 2.107 1.00 10.00 H new ATOM 0 HG1 THR A 58 -13.902 1.002 0.781 1.00 10.00 H new ATOM 0 HG21 THR A 58 -14.807 0.540 2.843 1.00 10.00 H new ATOM 0 HG22 THR A 58 -13.691 0.240 4.197 1.00 10.00 H new ATOM 0 HG23 THR A 58 -13.897 1.890 3.562 1.00 10.00 H new ATOM 882 N TRP A 59 -9.953 -0.142 1.176 1.00 10.00 N ATOM 883 CA TRP A 59 -8.946 -0.255 0.129 1.00 10.00 C ATOM 884 C TRP A 59 -9.500 -0.933 -1.117 1.00 10.00 C ATOM 885 O TRP A 59 -9.063 -2.008 -1.510 1.00 10.00 O ATOM 886 CB TRP A 59 -7.715 -0.929 0.710 1.00 10.00 C ATOM 887 CG TRP A 59 -7.041 -0.086 1.742 1.00 10.00 C ATOM 888 CD1 TRP A 59 -6.994 -0.365 3.062 1.00 10.00 C ATOM 889 CD2 TRP A 59 -6.355 1.195 1.569 1.00 10.00 C ATOM 890 NE1 TRP A 59 -6.227 0.596 3.690 1.00 10.00 N ATOM 891 CE2 TRP A 59 -5.812 1.583 2.825 1.00 10.00 C ATOM 892 CE3 TRP A 59 -6.111 2.060 0.478 1.00 10.00 C ATOM 893 CZ2 TRP A 59 -5.013 2.728 2.982 1.00 10.00 C ATOM 894 CZ3 TRP A 59 -5.368 3.246 0.643 1.00 10.00 C ATOM 895 CH2 TRP A 59 -4.801 3.571 1.884 1.00 10.00 C ATOM 0 H TRP A 59 -10.381 -1.033 1.430 1.00 10.00 H new ATOM 0 HA TRP A 59 -8.648 0.735 -0.216 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -8.001 -1.883 1.153 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -7.011 -1.149 -0.093 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -7.476 -1.201 3.546 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -5.994 0.577 4.683 1.00 10.00 H new ATOM 0 HE3 TRP A 59 -6.500 1.808 -0.497 1.00 10.00 H new ATOM 0 HZ2 TRP A 59 -4.567 2.956 3.939 1.00 10.00 H new ATOM 0 HZ3 TRP A 59 -5.234 3.913 -0.196 1.00 10.00 H new ATOM 0 HH2 TRP A 59 -4.205 4.465 1.992 1.00 10.00 H new ATOM 906 N LYS A 60 -10.449 -0.273 -1.776 1.00 10.00 N ATOM 907 CA LYS A 60 -11.131 -0.806 -2.954 1.00 10.00 C ATOM 908 C LYS A 60 -10.386 -0.472 -4.242 1.00 10.00 C ATOM 909 O LYS A 60 -11.025 -0.208 -5.251 1.00 10.00 O ATOM 910 CB LYS A 60 -12.559 -0.236 -2.996 1.00 10.00 C ATOM 911 CG LYS A 60 -13.457 -0.942 -1.987 1.00 10.00 C ATOM 912 CD LYS A 60 -13.955 -2.272 -2.583 1.00 10.00 C ATOM 913 CE LYS A 60 -14.567 -3.211 -1.539 1.00 10.00 C ATOM 914 NZ LYS A 60 -15.762 -2.629 -0.898 1.00 10.00 N ATOM 0 H LYS A 60 -10.770 0.656 -1.505 1.00 10.00 H new ATOM 0 HA LYS A 60 -11.161 -1.893 -2.879 1.00 10.00 H new ATOM 0 HB2 LYS A 60 -12.535 0.832 -2.782 1.00 10.00 H new ATOM 0 HB3 LYS A 60 -12.971 -0.351 -3.998 1.00 10.00 H new ATOM 0 HG2 LYS A 60 -12.908 -1.128 -1.064 1.00 10.00 H new ATOM 0 HG3 LYS A 60 -14.305 -0.306 -1.731 1.00 10.00 H new ATOM 0 HD2 LYS A 60 -14.698 -2.062 -3.353 1.00 10.00 H new ATOM 0 HD3 LYS A 60 -13.123 -2.777 -3.073 1.00 10.00 H new ATOM 0 HE2 LYS A 60 -14.835 -4.155 -2.014 1.00 10.00 H new ATOM 0 HE3 LYS A 60 -13.822 -3.438 -0.776 1.00 10.00 H new ATOM 0 HZ1 LYS A 60 -16.142 -3.299 -0.199 1.00 10.00 H new ATOM 0 HZ2 LYS A 60 -15.503 -1.742 -0.421 1.00 10.00 H new ATOM 0 HZ3 LYS A 60 -16.484 -2.436 -1.621 1.00 10.00 H new ATOM 928 N GLU A 61 -9.054 -0.440 -4.209 1.00 10.00 N ATOM 929 CA GLU A 61 -8.206 0.116 -5.259 1.00 10.00 C ATOM 930 C GLU A 61 -8.378 1.627 -5.450 1.00 10.00 C ATOM 931 O GLU A 61 -7.378 2.332 -5.520 1.00 10.00 O ATOM 932 CB GLU A 61 -8.176 -0.740 -6.538 1.00 10.00 C ATOM 933 CG GLU A 61 -9.062 -0.292 -7.707 1.00 10.00 C ATOM 934 CD GLU A 61 -8.399 0.699 -8.659 1.00 10.00 C ATOM 935 OE1 GLU A 61 -7.171 0.576 -8.849 1.00 10.00 O ATOM 936 OE2 GLU A 61 -9.136 1.554 -9.191 1.00 10.00 O ATOM 0 H GLU A 61 -8.520 -0.813 -3.424 1.00 10.00 H new ATOM 0 HA GLU A 61 -7.180 0.042 -4.899 1.00 10.00 H new ATOM 0 HB2 GLU A 61 -7.146 -0.781 -6.892 1.00 10.00 H new ATOM 0 HB3 GLU A 61 -8.461 -1.757 -6.270 1.00 10.00 H new ATOM 0 HG2 GLU A 61 -9.367 -1.172 -8.273 1.00 10.00 H new ATOM 0 HG3 GLU A 61 -9.969 0.160 -7.306 1.00 10.00 H new ATOM 943 N GLU A 62 -9.609 2.147 -5.447 1.00 10.00 N ATOM 944 CA GLU A 62 -9.895 3.560 -5.655 1.00 10.00 C ATOM 945 C GLU A 62 -9.087 4.443 -4.695 1.00 10.00 C ATOM 946 O GLU A 62 -8.487 5.434 -5.096 1.00 10.00 O ATOM 947 CB GLU A 62 -11.403 3.779 -5.480 1.00 10.00 C ATOM 948 CG GLU A 62 -12.223 3.040 -6.552 1.00 10.00 C ATOM 949 CD GLU A 62 -13.700 2.957 -6.182 1.00 10.00 C ATOM 950 OE1 GLU A 62 -14.163 3.877 -5.474 1.00 10.00 O ATOM 951 OE2 GLU A 62 -14.336 1.962 -6.592 1.00 10.00 O ATOM 0 H GLU A 62 -10.446 1.584 -5.297 1.00 10.00 H new ATOM 0 HA GLU A 62 -9.598 3.848 -6.663 1.00 10.00 H new ATOM 0 HB2 GLU A 62 -11.707 3.435 -4.491 1.00 10.00 H new ATOM 0 HB3 GLU A 62 -11.622 4.846 -5.528 1.00 10.00 H new ATOM 0 HG2 GLU A 62 -12.117 3.553 -7.508 1.00 10.00 H new ATOM 0 HG3 GLU A 62 -11.825 2.034 -6.684 1.00 10.00 H new ATOM 958 N THR A 63 -9.046 4.080 -3.415 1.00 10.00 N ATOM 959 CA THR A 63 -8.310 4.832 -2.415 1.00 10.00 C ATOM 960 C THR A 63 -6.799 4.712 -2.647 1.00 10.00 C ATOM 961 O THR A 63 -6.083 5.719 -2.687 1.00 10.00 O ATOM 962 CB THR A 63 -8.743 4.322 -1.037 1.00 10.00 C ATOM 963 OG1 THR A 63 -8.868 2.917 -1.084 1.00 10.00 O ATOM 964 CG2 THR A 63 -10.118 4.874 -0.650 1.00 10.00 C ATOM 0 H THR A 63 -9.523 3.257 -3.047 1.00 10.00 H new ATOM 0 HA THR A 63 -8.534 5.897 -2.483 1.00 10.00 H new ATOM 0 HB THR A 63 -7.994 4.643 -0.313 1.00 10.00 H new ATOM 0 HG1 THR A 63 -8.095 2.505 -0.645 1.00 10.00 H new ATOM 0 HG21 THR A 63 -10.399 4.495 0.333 1.00 10.00 H new ATOM 0 HG22 THR A 63 -10.078 5.963 -0.621 1.00 10.00 H new ATOM 0 HG23 THR A 63 -10.857 4.558 -1.386 1.00 10.00 H new ATOM 972 N LEU A 64 -6.293 3.480 -2.802 1.00 10.00 N ATOM 973 CA LEU A 64 -4.875 3.281 -3.043 1.00 10.00 C ATOM 974 C LEU A 64 -4.410 3.974 -4.329 1.00 10.00 C ATOM 975 O LEU A 64 -3.292 4.483 -4.379 1.00 10.00 O ATOM 976 CB LEU A 64 -4.371 1.842 -2.847 1.00 10.00 C ATOM 977 CG LEU A 64 -5.063 0.662 -3.510 1.00 10.00 C ATOM 978 CD1 LEU A 64 -4.020 -0.415 -3.832 1.00 10.00 C ATOM 979 CD2 LEU A 64 -6.110 0.045 -2.569 1.00 10.00 C ATOM 0 H LEU A 64 -6.844 2.623 -2.764 1.00 10.00 H new ATOM 0 HA LEU A 64 -4.361 3.797 -2.232 1.00 10.00 H new ATOM 0 HB2 LEU A 64 -3.331 1.823 -3.172 1.00 10.00 H new ATOM 0 HB3 LEU A 64 -4.373 1.649 -1.774 1.00 10.00 H new ATOM 0 HG LEU A 64 -5.554 1.016 -4.416 1.00 10.00 H new ATOM 0 HD11 LEU A 64 -4.509 -1.265 -4.308 1.00 10.00 H new ATOM 0 HD12 LEU A 64 -3.269 -0.004 -4.507 1.00 10.00 H new ATOM 0 HD13 LEU A 64 -3.539 -0.743 -2.910 1.00 10.00 H new ATOM 0 HD21 LEU A 64 -6.593 -0.798 -3.064 1.00 10.00 H new ATOM 0 HD22 LEU A 64 -5.622 -0.301 -1.658 1.00 10.00 H new ATOM 0 HD23 LEU A 64 -6.859 0.795 -2.317 1.00 10.00 H new ATOM 991 N MET A 65 -5.272 4.063 -5.343 1.00 10.00 N ATOM 992 CA MET A 65 -4.958 4.734 -6.590 1.00 10.00 C ATOM 993 C MET A 65 -4.455 6.157 -6.375 1.00 10.00 C ATOM 994 O MET A 65 -3.537 6.559 -7.092 1.00 10.00 O ATOM 995 CB MET A 65 -6.158 4.771 -7.540 1.00 10.00 C ATOM 996 CG MET A 65 -6.330 3.488 -8.358 1.00 10.00 C ATOM 997 SD MET A 65 -6.144 3.723 -10.147 1.00 10.00 S ATOM 998 CE MET A 65 -7.647 4.670 -10.478 1.00 10.00 C ATOM 0 H MET A 65 -6.211 3.667 -5.315 1.00 10.00 H new ATOM 0 HA MET A 65 -4.160 4.145 -7.042 1.00 10.00 H new ATOM 0 HB2 MET A 65 -7.064 4.947 -6.961 1.00 10.00 H new ATOM 0 HB3 MET A 65 -6.046 5.614 -8.221 1.00 10.00 H new ATOM 0 HG2 MET A 65 -5.599 2.753 -8.020 1.00 10.00 H new ATOM 0 HG3 MET A 65 -7.317 3.071 -8.157 1.00 10.00 H new ATOM 0 HE1 MET A 65 -7.757 4.815 -11.553 1.00 10.00 H new ATOM 0 HE2 MET A 65 -8.511 4.127 -10.095 1.00 10.00 H new ATOM 0 HE3 MET A 65 -7.581 5.640 -9.986 1.00 10.00 H new ATOM 1008 N GLU A 66 -5.034 6.926 -5.449 1.00 10.00 N ATOM 1009 CA GLU A 66 -4.482 8.240 -5.167 1.00 10.00 C ATOM 1010 C GLU A 66 -3.230 8.044 -4.333 1.00 10.00 C ATOM 1011 O GLU A 66 -2.179 8.560 -4.689 1.00 10.00 O ATOM 1012 CB GLU A 66 -5.482 9.159 -4.460 1.00 10.00 C ATOM 1013 CG GLU A 66 -6.385 9.919 -5.445 1.00 10.00 C ATOM 1014 CD GLU A 66 -7.771 9.310 -5.550 1.00 10.00 C ATOM 1015 OE1 GLU A 66 -8.468 9.354 -4.511 1.00 10.00 O ATOM 1016 OE2 GLU A 66 -8.109 8.853 -6.661 1.00 10.00 O ATOM 0 H GLU A 66 -5.856 6.668 -4.902 1.00 10.00 H new ATOM 0 HA GLU A 66 -4.243 8.738 -6.107 1.00 10.00 H new ATOM 0 HB2 GLU A 66 -6.102 8.566 -3.788 1.00 10.00 H new ATOM 0 HB3 GLU A 66 -4.939 9.875 -3.844 1.00 10.00 H new ATOM 0 HG2 GLU A 66 -6.471 10.958 -5.127 1.00 10.00 H new ATOM 0 HG3 GLU A 66 -5.919 9.925 -6.430 1.00 10.00 H new ATOM 1023 N TYR A 67 -3.327 7.293 -3.237 1.00 10.00 N ATOM 1024 CA TYR A 67 -2.235 7.165 -2.283 1.00 10.00 C ATOM 1025 C TYR A 67 -0.888 6.880 -2.965 1.00 10.00 C ATOM 1026 O TYR A 67 0.117 7.524 -2.668 1.00 10.00 O ATOM 1027 CB TYR A 67 -2.600 6.082 -1.262 1.00 10.00 C ATOM 1028 CG TYR A 67 -1.776 6.049 0.017 1.00 10.00 C ATOM 1029 CD1 TYR A 67 -1.392 7.242 0.660 1.00 10.00 C ATOM 1030 CD2 TYR A 67 -1.539 4.817 0.661 1.00 10.00 C ATOM 1031 CE1 TYR A 67 -0.920 7.215 1.979 1.00 10.00 C ATOM 1032 CE2 TYR A 67 -1.025 4.793 1.969 1.00 10.00 C ATOM 1033 CZ TYR A 67 -0.752 5.992 2.643 1.00 10.00 C ATOM 1034 OH TYR A 67 -0.765 6.005 4.000 1.00 10.00 O ATOM 0 H TYR A 67 -4.161 6.760 -2.989 1.00 10.00 H new ATOM 0 HA TYR A 67 -2.103 8.118 -1.770 1.00 10.00 H new ATOM 0 HB2 TYR A 67 -3.648 6.209 -0.990 1.00 10.00 H new ATOM 0 HB3 TYR A 67 -2.513 5.111 -1.749 1.00 10.00 H new ATOM 0 HD1 TYR A 67 -1.462 8.182 0.134 1.00 10.00 H new ATOM 0 HD2 TYR A 67 -1.753 3.891 0.148 1.00 10.00 H new ATOM 0 HE1 TYR A 67 -0.685 8.139 2.486 1.00 10.00 H new ATOM 0 HE2 TYR A 67 -0.840 3.847 2.457 1.00 10.00 H new ATOM 0 HH TYR A 67 -0.640 5.093 4.337 1.00 10.00 H new ATOM 1044 N LEU A 68 -0.880 5.937 -3.909 1.00 10.00 N ATOM 1045 CA LEU A 68 0.316 5.518 -4.632 1.00 10.00 C ATOM 1046 C LEU A 68 0.823 6.558 -5.638 1.00 10.00 C ATOM 1047 O LEU A 68 1.992 6.502 -6.021 1.00 10.00 O ATOM 1048 CB LEU A 68 0.033 4.198 -5.357 1.00 10.00 C ATOM 1049 CG LEU A 68 -0.380 3.053 -4.424 1.00 10.00 C ATOM 1050 CD1 LEU A 68 -0.686 1.812 -5.268 1.00 10.00 C ATOM 1051 CD2 LEU A 68 0.681 2.752 -3.366 1.00 10.00 C ATOM 0 H LEU A 68 -1.721 5.436 -4.195 1.00 10.00 H new ATOM 0 HA LEU A 68 1.105 5.396 -3.890 1.00 10.00 H new ATOM 0 HB2 LEU A 68 -0.757 4.360 -6.090 1.00 10.00 H new ATOM 0 HB3 LEU A 68 0.924 3.900 -5.910 1.00 10.00 H new ATOM 0 HG LEU A 68 -1.273 3.358 -3.878 1.00 10.00 H new ATOM 0 HD11 LEU A 68 -0.981 0.991 -4.614 1.00 10.00 H new ATOM 0 HD12 LEU A 68 -1.498 2.034 -5.961 1.00 10.00 H new ATOM 0 HD13 LEU A 68 0.203 1.526 -5.831 1.00 10.00 H new ATOM 0 HD21 LEU A 68 0.340 1.934 -2.731 1.00 10.00 H new ATOM 0 HD22 LEU A 68 1.612 2.468 -3.855 1.00 10.00 H new ATOM 0 HD23 LEU A 68 0.848 3.639 -2.756 1.00 10.00 H new ATOM 1063 N GLU A 69 -0.038 7.475 -6.092 1.00 10.00 N ATOM 1064 CA GLU A 69 0.296 8.505 -7.075 1.00 10.00 C ATOM 1065 C GLU A 69 0.102 9.912 -6.505 1.00 10.00 C ATOM 1066 O GLU A 69 0.009 10.891 -7.241 1.00 10.00 O ATOM 1067 CB GLU A 69 -0.525 8.271 -8.355 1.00 10.00 C ATOM 1068 CG GLU A 69 0.338 8.250 -9.630 1.00 10.00 C ATOM 1069 CD GLU A 69 -0.317 8.936 -10.826 1.00 10.00 C ATOM 1070 OE1 GLU A 69 -1.549 8.765 -10.982 1.00 10.00 O ATOM 1071 OE2 GLU A 69 0.428 9.563 -11.603 1.00 10.00 O ATOM 0 H GLU A 69 -1.007 7.521 -5.778 1.00 10.00 H new ATOM 0 HA GLU A 69 1.354 8.430 -7.328 1.00 10.00 H new ATOM 0 HB2 GLU A 69 -1.059 7.325 -8.269 1.00 10.00 H new ATOM 0 HB3 GLU A 69 -1.277 9.055 -8.445 1.00 10.00 H new ATOM 0 HG2 GLU A 69 1.291 8.736 -9.421 1.00 10.00 H new ATOM 0 HG3 GLU A 69 0.558 7.215 -9.892 1.00 10.00 H new ATOM 1078 N ASN A 70 0.025 10.012 -5.180 1.00 10.00 N ATOM 1079 CA ASN A 70 -0.285 11.231 -4.458 1.00 10.00 C ATOM 1080 C ASN A 70 -0.100 10.929 -2.967 1.00 10.00 C ATOM 1081 O ASN A 70 -1.032 11.045 -2.170 1.00 10.00 O ATOM 1082 CB ASN A 70 -1.710 11.695 -4.825 1.00 10.00 C ATOM 1083 CG ASN A 70 -1.728 13.052 -5.518 1.00 10.00 C ATOM 1084 OD1 ASN A 70 -1.211 14.032 -4.989 1.00 10.00 O ATOM 1085 ND2 ASN A 70 -2.352 13.133 -6.689 1.00 10.00 N ATOM 0 H ASN A 70 0.183 9.215 -4.563 1.00 10.00 H new ATOM 0 HA ASN A 70 0.375 12.057 -4.724 1.00 10.00 H new ATOM 0 HB2 ASN A 70 -2.172 10.953 -5.476 1.00 10.00 H new ATOM 0 HB3 ASN A 70 -2.315 11.746 -3.920 1.00 10.00 H new ATOM 0 HD21 ASN A 70 -2.411 14.028 -7.174 1.00 10.00 H new ATOM 0 HD22 ASN A 70 -2.771 12.300 -7.102 1.00 10.00 H new ATOM 1092 N PRO A 71 1.123 10.549 -2.556 1.00 10.00 N ATOM 1093 CA PRO A 71 1.406 10.259 -1.163 1.00 10.00 C ATOM 1094 C PRO A 71 1.202 11.490 -0.273 1.00 10.00 C ATOM 1095 O PRO A 71 1.049 11.331 0.935 1.00 10.00 O ATOM 1096 CB PRO A 71 2.838 9.711 -1.125 1.00 10.00 C ATOM 1097 CG PRO A 71 3.483 10.179 -2.432 1.00 10.00 C ATOM 1098 CD PRO A 71 2.305 10.362 -3.385 1.00 10.00 C ATOM 0 HA PRO A 71 0.714 9.521 -0.758 1.00 10.00 H new ATOM 0 HB2 PRO A 71 3.382 10.090 -0.260 1.00 10.00 H new ATOM 0 HB3 PRO A 71 2.841 8.623 -1.052 1.00 10.00 H new ATOM 0 HG2 PRO A 71 4.032 11.110 -2.294 1.00 10.00 H new ATOM 0 HG3 PRO A 71 4.192 9.444 -2.812 1.00 10.00 H new ATOM 0 HD2 PRO A 71 2.463 11.223 -4.035 1.00 10.00 H new ATOM 0 HD3 PRO A 71 2.191 9.492 -4.031 1.00 10.00 H new ATOM 1106 N LYS A 72 1.175 12.702 -0.851 1.00 10.00 N ATOM 1107 CA LYS A 72 0.956 13.939 -0.117 1.00 10.00 C ATOM 1108 C LYS A 72 -0.482 14.445 -0.293 1.00 10.00 C ATOM 1109 O LYS A 72 -0.699 15.563 -0.756 1.00 10.00 O ATOM 1110 CB LYS A 72 1.941 15.042 -0.557 1.00 10.00 C ATOM 1111 CG LYS A 72 3.423 14.692 -0.404 1.00 10.00 C ATOM 1112 CD LYS A 72 3.938 13.825 -1.563 1.00 10.00 C ATOM 1113 CE LYS A 72 5.084 14.482 -2.348 1.00 10.00 C ATOM 1114 NZ LYS A 72 4.617 15.599 -3.195 1.00 10.00 N ATOM 0 H LYS A 72 1.307 12.842 -1.853 1.00 10.00 H new ATOM 0 HA LYS A 72 1.128 13.713 0.935 1.00 10.00 H new ATOM 0 HB2 LYS A 72 1.747 15.284 -1.602 1.00 10.00 H new ATOM 0 HB3 LYS A 72 1.735 15.942 0.022 1.00 10.00 H new ATOM 0 HG2 LYS A 72 4.008 15.610 -0.352 1.00 10.00 H new ATOM 0 HG3 LYS A 72 3.574 14.164 0.537 1.00 10.00 H new ATOM 0 HD2 LYS A 72 4.279 12.868 -1.169 1.00 10.00 H new ATOM 0 HD3 LYS A 72 3.114 13.614 -2.244 1.00 10.00 H new ATOM 0 HE2 LYS A 72 5.836 14.849 -1.649 1.00 10.00 H new ATOM 0 HE3 LYS A 72 5.569 13.733 -2.974 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 5.425 16.010 -3.704 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 3.919 15.247 -3.880 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 4.178 16.328 -2.597 1.00 10.00 H new ATOM 1128 N LYS A 73 -1.466 13.639 0.100 1.00 10.00 N ATOM 1129 CA LYS A 73 -2.854 14.074 0.230 1.00 10.00 C ATOM 1130 C LYS A 73 -3.548 13.180 1.250 1.00 10.00 C ATOM 1131 O LYS A 73 -4.146 13.659 2.210 1.00 10.00 O ATOM 1132 CB LYS A 73 -3.607 14.029 -1.115 1.00 10.00 C ATOM 1133 CG LYS A 73 -3.466 15.321 -1.939 1.00 10.00 C ATOM 1134 CD LYS A 73 -4.699 15.523 -2.835 1.00 10.00 C ATOM 1135 CE LYS A 73 -4.667 16.899 -3.518 1.00 10.00 C ATOM 1136 NZ LYS A 73 -5.882 17.147 -4.325 1.00 10.00 N ATOM 0 H LYS A 73 -1.321 12.658 0.339 1.00 10.00 H new ATOM 0 HA LYS A 73 -2.862 15.112 0.561 1.00 10.00 H new ATOM 0 HB2 LYS A 73 -3.235 13.190 -1.703 1.00 10.00 H new ATOM 0 HB3 LYS A 73 -4.664 13.842 -0.925 1.00 10.00 H new ATOM 0 HG2 LYS A 73 -3.350 16.175 -1.271 1.00 10.00 H new ATOM 0 HG3 LYS A 73 -2.567 15.272 -2.553 1.00 10.00 H new ATOM 0 HD2 LYS A 73 -4.735 14.739 -3.591 1.00 10.00 H new ATOM 0 HD3 LYS A 73 -5.606 15.431 -2.237 1.00 10.00 H new ATOM 0 HE2 LYS A 73 -4.570 17.677 -2.761 1.00 10.00 H new ATOM 0 HE3 LYS A 73 -3.787 16.965 -4.158 1.00 10.00 H new ATOM 0 HZ1 LYS A 73 -5.819 18.086 -4.768 1.00 10.00 H new ATOM 0 HZ2 LYS A 73 -5.962 16.420 -5.064 1.00 10.00 H new ATOM 0 HZ3 LYS A 73 -6.720 17.110 -3.711 1.00 10.00 H new ATOM 1150 N TYR A 74 -3.457 11.869 1.028 1.00 10.00 N ATOM 1151 CA TYR A 74 -4.091 10.847 1.846 1.00 10.00 C ATOM 1152 C TYR A 74 -3.401 10.728 3.225 1.00 10.00 C ATOM 1153 O TYR A 74 -2.757 9.722 3.525 1.00 10.00 O ATOM 1154 CB TYR A 74 -4.130 9.543 1.023 1.00 10.00 C ATOM 1155 CG TYR A 74 -5.402 9.320 0.222 1.00 10.00 C ATOM 1156 CD1 TYR A 74 -5.748 10.182 -0.838 1.00 10.00 C ATOM 1157 CD2 TYR A 74 -6.226 8.217 0.515 1.00 10.00 C ATOM 1158 CE1 TYR A 74 -6.914 9.943 -1.589 1.00 10.00 C ATOM 1159 CE2 TYR A 74 -7.382 7.977 -0.243 1.00 10.00 C ATOM 1160 CZ TYR A 74 -7.714 8.821 -1.313 1.00 10.00 C ATOM 1161 OH TYR A 74 -8.822 8.542 -2.053 1.00 10.00 O ATOM 0 H TYR A 74 -2.923 11.482 0.250 1.00 10.00 H new ATOM 0 HA TYR A 74 -5.120 11.111 2.091 1.00 10.00 H new ATOM 0 HB2 TYR A 74 -3.283 9.540 0.337 1.00 10.00 H new ATOM 0 HB3 TYR A 74 -3.994 8.700 1.701 1.00 10.00 H new ATOM 0 HD1 TYR A 74 -5.118 11.027 -1.074 1.00 10.00 H new ATOM 0 HD2 TYR A 74 -5.967 7.553 1.326 1.00 10.00 H new ATOM 0 HE1 TYR A 74 -7.195 10.623 -2.379 1.00 10.00 H new ATOM 0 HE2 TYR A 74 -8.019 7.139 -0.002 1.00 10.00 H new ATOM 0 HH TYR A 74 -8.626 8.685 -3.002 1.00 10.00 H new ATOM 1171 N ILE A 75 -3.599 11.751 4.065 1.00 10.00 N ATOM 1172 CA ILE A 75 -3.105 11.937 5.431 1.00 10.00 C ATOM 1173 C ILE A 75 -1.597 12.276 5.429 1.00 10.00 C ATOM 1174 O ILE A 75 -0.761 11.375 5.349 1.00 10.00 O ATOM 1175 CB ILE A 75 -3.543 10.819 6.417 1.00 10.00 C ATOM 1176 CG1 ILE A 75 -5.026 10.943 6.821 1.00 10.00 C ATOM 1177 CG2 ILE A 75 -2.731 10.878 7.720 1.00 10.00 C ATOM 1178 CD1 ILE A 75 -6.008 10.898 5.648 1.00 10.00 C ATOM 0 H ILE A 75 -4.166 12.547 3.774 1.00 10.00 H new ATOM 0 HA ILE A 75 -3.602 12.812 5.849 1.00 10.00 H new ATOM 0 HB ILE A 75 -3.374 9.882 5.886 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -5.270 10.137 7.514 1.00 10.00 H new ATOM 0 HG13 ILE A 75 -5.166 11.880 7.360 1.00 10.00 H new ATOM 0 HG21 ILE A 75 -3.060 10.084 8.390 1.00 10.00 H new ATOM 0 HG22 ILE A 75 -1.672 10.748 7.495 1.00 10.00 H new ATOM 0 HG23 ILE A 75 -2.884 11.844 8.200 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -7.027 10.992 6.023 1.00 10.00 H new ATOM 0 HD12 ILE A 75 -5.796 11.720 4.964 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -5.901 9.950 5.120 1.00 10.00 H new ATOM 1190 N PRO A 76 -1.219 13.568 5.516 1.00 10.00 N ATOM 1191 CA PRO A 76 0.173 14.005 5.519 1.00 10.00 C ATOM 1192 C PRO A 76 0.878 13.721 6.852 1.00 10.00 C ATOM 1193 O PRO A 76 1.233 14.641 7.583 1.00 10.00 O ATOM 1194 CB PRO A 76 0.138 15.482 5.111 1.00 10.00 C ATOM 1195 CG PRO A 76 -1.209 15.959 5.643 1.00 10.00 C ATOM 1196 CD PRO A 76 -2.105 14.727 5.496 1.00 10.00 C ATOM 0 HA PRO A 76 0.782 13.441 4.812 1.00 10.00 H new ATOM 0 HB2 PRO A 76 0.965 16.041 5.550 1.00 10.00 H new ATOM 0 HB3 PRO A 76 0.210 15.603 4.030 1.00 10.00 H new ATOM 0 HG2 PRO A 76 -1.139 16.283 6.681 1.00 10.00 H new ATOM 0 HG3 PRO A 76 -1.591 16.804 5.070 1.00 10.00 H new ATOM 0 HD2 PRO A 76 -2.830 14.675 6.308 1.00 10.00 H new ATOM 0 HD3 PRO A 76 -2.671 14.767 4.565 1.00 10.00 H new ATOM 1204 N GLY A 77 1.143 12.439 7.128 1.00 10.00 N ATOM 1205 CA GLY A 77 2.048 12.011 8.195 1.00 10.00 C ATOM 1206 C GLY A 77 2.467 10.555 7.996 1.00 10.00 C ATOM 1207 O GLY A 77 2.407 9.763 8.932 1.00 10.00 O ATOM 0 H GLY A 77 0.730 11.663 6.610 1.00 10.00 H new ATOM 0 HA2 GLY A 77 2.931 12.650 8.208 1.00 10.00 H new ATOM 0 HA3 GLY A 77 1.558 12.125 9.162 1.00 10.00 H new ATOM 1211 N THR A 78 2.879 10.196 6.776 1.00 10.00 N ATOM 1212 CA THR A 78 3.332 8.851 6.447 1.00 10.00 C ATOM 1213 C THR A 78 4.858 8.832 6.454 1.00 10.00 C ATOM 1214 O THR A 78 5.480 8.407 7.424 1.00 10.00 O ATOM 1215 CB THR A 78 2.741 8.449 5.086 1.00 10.00 C ATOM 1216 OG1 THR A 78 3.053 9.430 4.106 1.00 10.00 O ATOM 1217 CG2 THR A 78 1.220 8.343 5.184 1.00 10.00 C ATOM 0 H THR A 78 2.906 10.840 5.986 1.00 10.00 H new ATOM 0 HA THR A 78 2.990 8.122 7.182 1.00 10.00 H new ATOM 0 HB THR A 78 3.168 7.487 4.803 1.00 10.00 H new ATOM 0 HG1 THR A 78 2.673 9.163 3.243 1.00 10.00 H new ATOM 0 HG21 THR A 78 0.812 8.058 4.214 1.00 10.00 H new ATOM 0 HG22 THR A 78 0.955 7.589 5.925 1.00 10.00 H new ATOM 0 HG23 THR A 78 0.807 9.306 5.482 1.00 10.00 H new ATOM 1225 N LYS A 79 5.449 9.314 5.359 1.00 10.00 N ATOM 1226 CA LYS A 79 6.882 9.385 5.128 1.00 10.00 C ATOM 1227 C LYS A 79 7.152 10.127 3.817 1.00 10.00 C ATOM 1228 O LYS A 79 7.904 11.097 3.814 1.00 10.00 O ATOM 1229 CB LYS A 79 7.516 7.981 5.154 1.00 10.00 C ATOM 1230 CG LYS A 79 6.879 6.973 4.187 1.00 10.00 C ATOM 1231 CD LYS A 79 7.232 5.554 4.641 1.00 10.00 C ATOM 1232 CE LYS A 79 6.733 4.492 3.659 1.00 10.00 C ATOM 1233 NZ LYS A 79 7.394 4.587 2.343 1.00 10.00 N ATOM 0 H LYS A 79 4.910 9.682 4.575 1.00 10.00 H new ATOM 0 HA LYS A 79 7.353 9.948 5.934 1.00 10.00 H new ATOM 0 HB2 LYS A 79 8.576 8.071 4.917 1.00 10.00 H new ATOM 0 HB3 LYS A 79 7.448 7.585 6.167 1.00 10.00 H new ATOM 0 HG2 LYS A 79 5.797 7.103 4.166 1.00 10.00 H new ATOM 0 HG3 LYS A 79 7.240 7.144 3.173 1.00 10.00 H new ATOM 0 HD2 LYS A 79 8.313 5.467 4.749 1.00 10.00 H new ATOM 0 HD3 LYS A 79 6.798 5.370 5.624 1.00 10.00 H new ATOM 0 HE2 LYS A 79 6.908 3.502 4.080 1.00 10.00 H new ATOM 0 HE3 LYS A 79 5.656 4.598 3.530 1.00 10.00 H new ATOM 0 HZ1 LYS A 79 7.166 3.744 1.778 1.00 10.00 H new ATOM 0 HZ2 LYS A 79 7.059 5.437 1.847 1.00 10.00 H new ATOM 0 HZ3 LYS A 79 8.424 4.646 2.475 1.00 10.00 H new ATOM 1247 N MET A 80 6.521 9.662 2.725 1.00 10.00 N ATOM 1248 CA MET A 80 6.828 10.018 1.338 1.00 10.00 C ATOM 1249 C MET A 80 8.255 9.592 0.973 1.00 10.00 C ATOM 1250 O MET A 80 9.137 9.573 1.826 1.00 10.00 O ATOM 1251 CB MET A 80 6.527 11.505 1.067 1.00 10.00 C ATOM 1252 CG MET A 80 7.006 12.022 -0.297 1.00 10.00 C ATOM 1253 SD MET A 80 8.756 12.487 -0.404 1.00 10.00 S ATOM 1254 CE MET A 80 8.866 12.958 -2.144 1.00 10.00 C ATOM 0 H MET A 80 5.749 8.998 2.793 1.00 10.00 H new ATOM 0 HA MET A 80 6.170 9.462 0.670 1.00 10.00 H new ATOM 0 HB2 MET A 80 5.451 11.663 1.142 1.00 10.00 H new ATOM 0 HB3 MET A 80 6.992 12.104 1.850 1.00 10.00 H new ATOM 0 HG2 MET A 80 6.809 11.253 -1.044 1.00 10.00 H new ATOM 0 HG3 MET A 80 6.403 12.889 -0.566 1.00 10.00 H new ATOM 0 HE1 MET A 80 9.885 13.271 -2.372 1.00 10.00 H new ATOM 0 HE2 MET A 80 8.599 12.106 -2.769 1.00 10.00 H new ATOM 0 HE3 MET A 80 8.180 13.782 -2.342 1.00 10.00 H new ATOM 1264 N ILE A 81 8.486 9.227 -0.296 1.00 10.00 N ATOM 1265 CA ILE A 81 9.847 9.154 -0.813 1.00 10.00 C ATOM 1266 C ILE A 81 9.953 9.609 -2.271 1.00 10.00 C ATOM 1267 O ILE A 81 10.843 10.387 -2.604 1.00 10.00 O ATOM 1268 CB ILE A 81 10.534 7.776 -0.589 1.00 10.00 C ATOM 1269 CG1 ILE A 81 9.922 6.581 -1.350 1.00 10.00 C ATOM 1270 CG2 ILE A 81 10.750 7.390 0.881 1.00 10.00 C ATOM 1271 CD1 ILE A 81 8.627 6.002 -0.768 1.00 10.00 C ATOM 0 H ILE A 81 7.758 8.983 -0.968 1.00 10.00 H new ATOM 0 HA ILE A 81 10.408 9.869 -0.211 1.00 10.00 H new ATOM 0 HB ILE A 81 11.508 7.972 -1.037 1.00 10.00 H new ATOM 0 HG12 ILE A 81 9.728 6.891 -2.377 1.00 10.00 H new ATOM 0 HG13 ILE A 81 10.665 5.785 -1.393 1.00 10.00 H new ATOM 0 HG21 ILE A 81 11.234 6.415 0.934 1.00 10.00 H new ATOM 0 HG22 ILE A 81 11.382 8.136 1.364 1.00 10.00 H new ATOM 0 HG23 ILE A 81 9.788 7.345 1.391 1.00 10.00 H new ATOM 0 HD11 ILE A 81 8.291 5.169 -1.385 1.00 10.00 H new ATOM 0 HD12 ILE A 81 8.810 5.651 0.248 1.00 10.00 H new ATOM 0 HD13 ILE A 81 7.858 6.774 -0.752 1.00 10.00 H new ATOM 1283 N PHE A 82 9.059 9.136 -3.144 1.00 10.00 N ATOM 1284 CA PHE A 82 9.015 9.516 -4.550 1.00 10.00 C ATOM 1285 C PHE A 82 7.680 10.203 -4.841 1.00 10.00 C ATOM 1286 O PHE A 82 6.784 10.206 -3.996 1.00 10.00 O ATOM 1287 CB PHE A 82 9.294 8.291 -5.440 1.00 10.00 C ATOM 1288 CG PHE A 82 8.441 7.055 -5.193 1.00 10.00 C ATOM 1289 CD1 PHE A 82 7.072 7.066 -5.518 1.00 10.00 C ATOM 1290 CD2 PHE A 82 9.041 5.848 -4.781 1.00 10.00 C ATOM 1291 CE1 PHE A 82 6.302 5.896 -5.403 1.00 10.00 C ATOM 1292 CE2 PHE A 82 8.269 4.679 -4.652 1.00 10.00 C ATOM 1293 CZ PHE A 82 6.899 4.703 -4.965 1.00 10.00 C ATOM 0 H PHE A 82 8.335 8.467 -2.884 1.00 10.00 H new ATOM 0 HA PHE A 82 9.799 10.236 -4.783 1.00 10.00 H new ATOM 0 HB2 PHE A 82 9.165 8.590 -6.480 1.00 10.00 H new ATOM 0 HB3 PHE A 82 10.340 8.012 -5.316 1.00 10.00 H new ATOM 0 HD1 PHE A 82 6.609 7.981 -5.858 1.00 10.00 H new ATOM 0 HD2 PHE A 82 10.098 5.820 -4.563 1.00 10.00 H new ATOM 0 HE1 PHE A 82 5.251 5.914 -5.652 1.00 10.00 H new ATOM 0 HE2 PHE A 82 8.729 3.763 -4.312 1.00 10.00 H new ATOM 0 HZ PHE A 82 6.306 3.805 -4.869 1.00 10.00 H new ATOM 1303 N ALA A 83 7.559 10.812 -6.024 1.00 10.00 N ATOM 1304 CA ALA A 83 6.373 11.561 -6.419 1.00 10.00 C ATOM 1305 C ALA A 83 5.160 10.637 -6.532 1.00 10.00 C ATOM 1306 O ALA A 83 4.149 10.844 -5.867 1.00 10.00 O ATOM 1307 CB ALA A 83 6.642 12.282 -7.744 1.00 10.00 C ATOM 0 H ALA A 83 8.289 10.796 -6.736 1.00 10.00 H new ATOM 0 HA ALA A 83 6.148 12.304 -5.654 1.00 10.00 H new ATOM 0 HB1 ALA A 83 5.755 12.842 -8.040 1.00 10.00 H new ATOM 0 HB2 ALA A 83 7.480 12.968 -7.621 1.00 10.00 H new ATOM 0 HB3 ALA A 83 6.882 11.549 -8.515 1.00 10.00 H new ATOM 1313 N GLY A 84 5.276 9.618 -7.381 1.00 10.00 N ATOM 1314 CA GLY A 84 4.273 8.596 -7.608 1.00 10.00 C ATOM 1315 C GLY A 84 4.948 7.483 -8.401 1.00 10.00 C ATOM 1316 O GLY A 84 6.146 7.583 -8.663 1.00 10.00 O ATOM 0 H GLY A 84 6.111 9.482 -7.951 1.00 10.00 H new ATOM 0 HA2 GLY A 84 3.887 8.217 -6.662 1.00 10.00 H new ATOM 0 HA3 GLY A 84 3.425 9.003 -8.158 1.00 10.00 H new ATOM 1320 N ILE A 85 4.201 6.441 -8.777 1.00 10.00 N ATOM 1321 CA ILE A 85 4.722 5.337 -9.579 1.00 10.00 C ATOM 1322 C ILE A 85 5.289 5.863 -10.900 1.00 10.00 C ATOM 1323 O ILE A 85 6.501 5.990 -11.047 1.00 10.00 O ATOM 1324 CB ILE A 85 3.628 4.256 -9.739 1.00 10.00 C ATOM 1325 CG1 ILE A 85 3.585 3.357 -8.516 1.00 10.00 C ATOM 1326 CG2 ILE A 85 3.684 3.377 -11.001 1.00 10.00 C ATOM 1327 CD1 ILE A 85 4.785 2.430 -8.371 1.00 10.00 C ATOM 0 H ILE A 85 3.216 6.342 -8.532 1.00 10.00 H new ATOM 0 HA ILE A 85 5.559 4.854 -9.075 1.00 10.00 H new ATOM 0 HB ILE A 85 2.718 4.846 -9.852 1.00 10.00 H new ATOM 0 HG12 ILE A 85 3.514 3.980 -7.625 1.00 10.00 H new ATOM 0 HG13 ILE A 85 2.678 2.753 -8.556 1.00 10.00 H new ATOM 0 HG21 ILE A 85 2.860 2.664 -10.984 1.00 10.00 H new ATOM 0 HG22 ILE A 85 3.601 4.007 -11.887 1.00 10.00 H new ATOM 0 HG23 ILE A 85 4.631 2.837 -11.027 1.00 10.00 H new ATOM 0 HD11 ILE A 85 4.671 1.825 -7.472 1.00 10.00 H new ATOM 0 HD12 ILE A 85 4.848 1.777 -9.242 1.00 10.00 H new ATOM 0 HD13 ILE A 85 5.696 3.023 -8.296 1.00 10.00 H new ATOM 1339 N LYS A 86 4.409 6.126 -11.867 1.00 10.00 N ATOM 1340 CA LYS A 86 4.718 6.660 -13.183 1.00 10.00 C ATOM 1341 C LYS A 86 3.561 7.484 -13.723 1.00 10.00 C ATOM 1342 O LYS A 86 3.727 8.643 -14.091 1.00 10.00 O ATOM 1343 CB LYS A 86 4.965 5.515 -14.169 1.00 10.00 C ATOM 1344 CG LYS A 86 6.171 4.705 -13.723 1.00 10.00 C ATOM 1345 CD LYS A 86 6.785 4.068 -14.970 1.00 10.00 C ATOM 1346 CE LYS A 86 8.228 3.619 -14.720 1.00 10.00 C ATOM 1347 NZ LYS A 86 8.622 2.564 -15.671 1.00 10.00 N ATOM 0 H LYS A 86 3.410 5.962 -11.741 1.00 10.00 H new ATOM 0 HA LYS A 86 5.605 7.285 -13.081 1.00 10.00 H new ATOM 0 HB2 LYS A 86 4.085 4.874 -14.225 1.00 10.00 H new ATOM 0 HB3 LYS A 86 5.133 5.914 -15.169 1.00 10.00 H new ATOM 0 HG2 LYS A 86 6.898 5.344 -13.222 1.00 10.00 H new ATOM 0 HG3 LYS A 86 5.874 3.938 -13.008 1.00 10.00 H new ATOM 0 HD2 LYS A 86 6.184 3.211 -15.275 1.00 10.00 H new ATOM 0 HD3 LYS A 86 6.763 4.782 -15.793 1.00 10.00 H new ATOM 0 HE2 LYS A 86 8.900 4.471 -14.817 1.00 10.00 H new ATOM 0 HE3 LYS A 86 8.327 3.250 -13.699 1.00 10.00 H new ATOM 0 HZ1 LYS A 86 9.632 2.347 -15.550 1.00 10.00 H new ATOM 0 HZ2 LYS A 86 8.060 1.707 -15.492 1.00 10.00 H new ATOM 0 HZ3 LYS A 86 8.452 2.892 -16.643 1.00 10.00 H new ATOM 1361 N LYS A 87 2.419 6.813 -13.861 1.00 10.00 N ATOM 1362 CA LYS A 87 1.208 7.325 -14.456 1.00 10.00 C ATOM 1363 C LYS A 87 0.082 6.370 -14.055 1.00 10.00 C ATOM 1364 O LYS A 87 0.086 5.823 -12.950 1.00 10.00 O ATOM 1365 CB LYS A 87 1.401 7.524 -15.970 1.00 10.00 C ATOM 1366 CG LYS A 87 1.790 6.264 -16.764 1.00 10.00 C ATOM 1367 CD LYS A 87 3.117 6.420 -17.526 1.00 10.00 C ATOM 1368 CE LYS A 87 3.107 7.598 -18.514 1.00 10.00 C ATOM 1369 NZ LYS A 87 4.248 7.546 -19.454 1.00 10.00 N ATOM 0 H LYS A 87 2.319 5.850 -13.541 1.00 10.00 H new ATOM 0 HA LYS A 87 0.941 8.318 -14.095 1.00 10.00 H new ATOM 0 HB2 LYS A 87 0.476 7.922 -16.386 1.00 10.00 H new ATOM 0 HB3 LYS A 87 2.171 8.280 -16.123 1.00 10.00 H new ATOM 0 HG2 LYS A 87 1.868 5.419 -16.079 1.00 10.00 H new ATOM 0 HG3 LYS A 87 0.996 6.028 -17.473 1.00 10.00 H new ATOM 0 HD2 LYS A 87 3.927 6.560 -16.810 1.00 10.00 H new ATOM 0 HD3 LYS A 87 3.328 5.499 -18.069 1.00 10.00 H new ATOM 0 HE2 LYS A 87 2.174 7.590 -19.077 1.00 10.00 H new ATOM 0 HE3 LYS A 87 3.137 8.536 -17.959 1.00 10.00 H new ATOM 0 HZ1 LYS A 87 4.202 8.359 -20.101 1.00 10.00 H new ATOM 0 HZ2 LYS A 87 5.140 7.579 -18.920 1.00 10.00 H new ATOM 0 HZ3 LYS A 87 4.206 6.663 -20.003 1.00 10.00 H new ATOM 1383 N LYS A 88 -0.848 6.107 -14.968 1.00 10.00 N ATOM 1384 CA LYS A 88 -2.029 5.317 -14.678 1.00 10.00 C ATOM 1385 C LYS A 88 -1.701 3.838 -14.849 1.00 10.00 C ATOM 1386 O LYS A 88 -1.930 3.043 -13.944 1.00 10.00 O ATOM 1387 CB LYS A 88 -3.199 5.804 -15.544 1.00 10.00 C ATOM 1388 CG LYS A 88 -4.516 5.138 -15.123 1.00 10.00 C ATOM 1389 CD LYS A 88 -5.721 5.945 -15.626 1.00 10.00 C ATOM 1390 CE LYS A 88 -7.025 5.240 -15.219 1.00 10.00 C ATOM 1391 NZ LYS A 88 -8.222 6.064 -15.492 1.00 10.00 N ATOM 0 H LYS A 88 -0.799 6.439 -15.931 1.00 10.00 H new ATOM 0 HA LYS A 88 -2.345 5.445 -13.643 1.00 10.00 H new ATOM 0 HB2 LYS A 88 -3.292 6.887 -15.458 1.00 10.00 H new ATOM 0 HB3 LYS A 88 -2.996 5.584 -16.592 1.00 10.00 H new ATOM 0 HG2 LYS A 88 -4.560 4.124 -15.522 1.00 10.00 H new ATOM 0 HG3 LYS A 88 -4.556 5.055 -14.037 1.00 10.00 H new ATOM 0 HD2 LYS A 88 -5.696 6.952 -15.209 1.00 10.00 H new ATOM 0 HD3 LYS A 88 -5.675 6.047 -16.710 1.00 10.00 H new ATOM 0 HE2 LYS A 88 -7.107 4.296 -15.757 1.00 10.00 H new ATOM 0 HE3 LYS A 88 -6.988 4.999 -14.157 1.00 10.00 H new ATOM 0 HZ1 LYS A 88 -9.075 5.545 -15.200 1.00 10.00 H new ATOM 0 HZ2 LYS A 88 -8.159 6.955 -14.959 1.00 10.00 H new ATOM 0 HZ3 LYS A 88 -8.275 6.273 -16.509 1.00 10.00 H new ATOM 1405 N THR A 89 -1.141 3.485 -16.006 1.00 10.00 N ATOM 1406 CA THR A 89 -0.971 2.116 -16.457 1.00 10.00 C ATOM 1407 C THR A 89 -0.225 1.276 -15.424 1.00 10.00 C ATOM 1408 O THR A 89 -0.801 0.379 -14.820 1.00 10.00 O ATOM 1409 CB THR A 89 -0.224 2.173 -17.797 1.00 10.00 C ATOM 1410 OG1 THR A 89 -0.846 3.148 -18.613 1.00 10.00 O ATOM 1411 CG2 THR A 89 -0.218 0.814 -18.501 1.00 10.00 C ATOM 0 H THR A 89 -0.784 4.170 -16.672 1.00 10.00 H new ATOM 0 HA THR A 89 -1.939 1.631 -16.586 1.00 10.00 H new ATOM 0 HB THR A 89 0.817 2.440 -17.612 1.00 10.00 H new ATOM 0 HG1 THR A 89 -0.380 3.200 -19.474 1.00 10.00 H new ATOM 0 HG21 THR A 89 0.320 0.896 -19.445 1.00 10.00 H new ATOM 0 HG22 THR A 89 0.274 0.077 -17.866 1.00 10.00 H new ATOM 0 HG23 THR A 89 -1.244 0.500 -18.694 1.00 10.00 H new ATOM 1419 N GLU A 90 1.049 1.613 -15.204 1.00 10.00 N ATOM 1420 CA GLU A 90 1.947 0.898 -14.309 1.00 10.00 C ATOM 1421 C GLU A 90 1.298 0.722 -12.928 1.00 10.00 C ATOM 1422 O GLU A 90 1.329 -0.351 -12.333 1.00 10.00 O ATOM 1423 CB GLU A 90 3.269 1.690 -14.212 1.00 10.00 C ATOM 1424 CG GLU A 90 4.504 0.951 -14.795 1.00 10.00 C ATOM 1425 CD GLU A 90 5.763 1.012 -13.924 1.00 10.00 C ATOM 1426 OE1 GLU A 90 5.657 1.054 -12.684 1.00 10.00 O ATOM 1427 OE2 GLU A 90 6.894 1.038 -14.462 1.00 10.00 O ATOM 0 H GLU A 90 1.491 2.413 -15.658 1.00 10.00 H new ATOM 0 HA GLU A 90 2.153 -0.099 -14.698 1.00 10.00 H new ATOM 0 HB2 GLU A 90 3.149 2.639 -14.734 1.00 10.00 H new ATOM 0 HB3 GLU A 90 3.462 1.924 -13.165 1.00 10.00 H new ATOM 0 HG2 GLU A 90 4.241 -0.095 -14.955 1.00 10.00 H new ATOM 0 HG3 GLU A 90 4.735 1.375 -15.772 1.00 10.00 H new ATOM 1434 N ARG A 91 0.710 1.802 -12.415 1.00 10.00 N ATOM 1435 CA ARG A 91 0.030 1.810 -11.130 1.00 10.00 C ATOM 1436 C ARG A 91 -1.141 0.813 -11.131 1.00 10.00 C ATOM 1437 O ARG A 91 -1.307 0.039 -10.189 1.00 10.00 O ATOM 1438 CB ARG A 91 -0.381 3.260 -10.840 1.00 10.00 C ATOM 1439 CG ARG A 91 -1.148 3.440 -9.525 1.00 10.00 C ATOM 1440 CD ARG A 91 -2.641 3.721 -9.760 1.00 10.00 C ATOM 1441 NE ARG A 91 -3.009 5.098 -9.390 1.00 10.00 N ATOM 1442 CZ ARG A 91 -2.801 6.226 -10.081 1.00 10.00 C ATOM 1443 NH1 ARG A 91 -2.105 6.246 -11.214 1.00 10.00 N ATOM 1444 NH2 ARG A 91 -3.246 7.382 -9.596 1.00 10.00 N ATOM 0 H ARG A 91 0.695 2.705 -12.890 1.00 10.00 H new ATOM 0 HA ARG A 91 0.681 1.473 -10.324 1.00 10.00 H new ATOM 0 HB2 ARG A 91 0.514 3.882 -10.815 1.00 10.00 H new ATOM 0 HB3 ARG A 91 -0.999 3.623 -11.662 1.00 10.00 H new ATOM 0 HG2 ARG A 91 -1.040 2.542 -8.917 1.00 10.00 H new ATOM 0 HG3 ARG A 91 -0.709 4.262 -8.960 1.00 10.00 H new ATOM 0 HD2 ARG A 91 -2.881 3.551 -10.810 1.00 10.00 H new ATOM 0 HD3 ARG A 91 -3.238 3.018 -9.179 1.00 10.00 H new ATOM 0 HE ARG A 91 -3.483 5.206 -8.493 1.00 10.00 H new ATOM 0 HH11 ARG A 91 -1.709 5.382 -11.584 1.00 10.00 H new ATOM 0 HH12 ARG A 91 -1.968 7.125 -11.713 1.00 10.00 H new ATOM 0 HH21 ARG A 91 -3.741 7.404 -8.705 1.00 10.00 H new ATOM 0 HH22 ARG A 91 -3.092 8.246 -10.116 1.00 10.00 H new ATOM 1458 N GLU A 92 -1.944 0.815 -12.196 1.00 10.00 N ATOM 1459 CA GLU A 92 -3.098 -0.069 -12.329 1.00 10.00 C ATOM 1460 C GLU A 92 -2.631 -1.533 -12.402 1.00 10.00 C ATOM 1461 O GLU A 92 -3.101 -2.389 -11.652 1.00 10.00 O ATOM 1462 CB GLU A 92 -3.923 0.387 -13.546 1.00 10.00 C ATOM 1463 CG GLU A 92 -5.430 0.135 -13.420 1.00 10.00 C ATOM 1464 CD GLU A 92 -5.829 -1.249 -13.900 1.00 10.00 C ATOM 1465 OE1 GLU A 92 -6.061 -1.389 -15.120 1.00 10.00 O ATOM 1466 OE2 GLU A 92 -5.825 -2.206 -13.102 1.00 10.00 O ATOM 0 H GLU A 92 -1.809 1.435 -12.995 1.00 10.00 H new ATOM 0 HA GLU A 92 -3.750 -0.011 -11.457 1.00 10.00 H new ATOM 0 HB2 GLU A 92 -3.757 1.453 -13.703 1.00 10.00 H new ATOM 0 HB3 GLU A 92 -3.554 -0.127 -14.433 1.00 10.00 H new ATOM 0 HG2 GLU A 92 -5.730 0.256 -12.379 1.00 10.00 H new ATOM 0 HG3 GLU A 92 -5.970 0.886 -13.996 1.00 10.00 H new ATOM 1473 N ASP A 93 -1.643 -1.808 -13.263 1.00 10.00 N ATOM 1474 CA ASP A 93 -0.946 -3.091 -13.329 1.00 10.00 C ATOM 1475 C ASP A 93 -0.581 -3.537 -11.909 1.00 10.00 C ATOM 1476 O ASP A 93 -0.938 -4.632 -11.473 1.00 10.00 O ATOM 1477 CB ASP A 93 0.302 -2.996 -14.229 1.00 10.00 C ATOM 1478 CG ASP A 93 0.026 -2.674 -15.695 1.00 10.00 C ATOM 1479 OD1 ASP A 93 -1.049 -3.084 -16.186 1.00 10.00 O ATOM 1480 OD2 ASP A 93 0.914 -2.048 -16.316 1.00 10.00 O ATOM 0 H ASP A 93 -1.302 -1.130 -13.944 1.00 10.00 H new ATOM 0 HA ASP A 93 -1.603 -3.837 -13.776 1.00 10.00 H new ATOM 0 HB2 ASP A 93 0.964 -2.230 -13.824 1.00 10.00 H new ATOM 0 HB3 ASP A 93 0.840 -3.943 -14.177 1.00 10.00 H new ATOM 1485 N LEU A 94 0.079 -2.651 -11.160 1.00 10.00 N ATOM 1486 CA LEU A 94 0.397 -2.863 -9.753 1.00 10.00 C ATOM 1487 C LEU A 94 -0.811 -3.387 -8.970 1.00 10.00 C ATOM 1488 O LEU A 94 -0.738 -4.475 -8.393 1.00 10.00 O ATOM 1489 CB LEU A 94 0.963 -1.573 -9.139 1.00 10.00 C ATOM 1490 CG LEU A 94 2.261 -1.828 -8.375 1.00 10.00 C ATOM 1491 CD1 LEU A 94 2.926 -0.490 -8.056 1.00 10.00 C ATOM 1492 CD2 LEU A 94 2.014 -2.603 -7.087 1.00 10.00 C ATOM 0 H LEU A 94 0.410 -1.756 -11.521 1.00 10.00 H new ATOM 0 HA LEU A 94 1.164 -3.635 -9.688 1.00 10.00 H new ATOM 0 HB2 LEU A 94 1.144 -0.844 -9.929 1.00 10.00 H new ATOM 0 HB3 LEU A 94 0.225 -1.137 -8.466 1.00 10.00 H new ATOM 0 HG LEU A 94 2.915 -2.433 -9.003 1.00 10.00 H new ATOM 0 HD11 LEU A 94 3.853 -0.665 -7.511 1.00 10.00 H new ATOM 0 HD12 LEU A 94 3.145 0.038 -8.984 1.00 10.00 H new ATOM 0 HD13 LEU A 94 2.255 0.114 -7.445 1.00 10.00 H new ATOM 0 HD21 LEU A 94 2.961 -2.765 -6.572 1.00 10.00 H new ATOM 0 HD22 LEU A 94 1.343 -2.034 -6.443 1.00 10.00 H new ATOM 0 HD23 LEU A 94 1.560 -3.566 -7.323 1.00 10.00 H new ATOM 1504 N ILE A 95 -1.920 -2.632 -8.958 1.00 10.00 N ATOM 1505 CA ILE A 95 -3.159 -3.050 -8.304 1.00 10.00 C ATOM 1506 C ILE A 95 -3.549 -4.465 -8.714 1.00 10.00 C ATOM 1507 O ILE A 95 -3.916 -5.265 -7.856 1.00 10.00 O ATOM 1508 CB ILE A 95 -4.309 -2.052 -8.563 1.00 10.00 C ATOM 1509 CG1 ILE A 95 -4.294 -0.940 -7.512 1.00 10.00 C ATOM 1510 CG2 ILE A 95 -5.700 -2.712 -8.502 1.00 10.00 C ATOM 1511 CD1 ILE A 95 -3.171 0.071 -7.663 1.00 10.00 C ATOM 0 H ILE A 95 -1.978 -1.716 -9.403 1.00 10.00 H new ATOM 0 HA ILE A 95 -2.973 -3.054 -7.230 1.00 10.00 H new ATOM 0 HB ILE A 95 -4.142 -1.662 -9.567 1.00 10.00 H new ATOM 0 HG12 ILE A 95 -5.246 -0.411 -7.551 1.00 10.00 H new ATOM 0 HG13 ILE A 95 -4.222 -1.395 -6.524 1.00 10.00 H new ATOM 0 HG21 ILE A 95 -6.467 -1.962 -8.692 1.00 10.00 H new ATOM 0 HG22 ILE A 95 -5.764 -3.496 -9.257 1.00 10.00 H new ATOM 0 HG23 ILE A 95 -5.854 -3.146 -7.514 1.00 10.00 H new ATOM 0 HD11 ILE A 95 -3.245 0.818 -6.873 1.00 10.00 H new ATOM 0 HD12 ILE A 95 -2.210 -0.439 -7.591 1.00 10.00 H new ATOM 0 HD13 ILE A 95 -3.250 0.561 -8.634 1.00 10.00 H new ATOM 1523 N ALA A 96 -3.520 -4.771 -10.011 1.00 10.00 N ATOM 1524 CA ALA A 96 -3.949 -6.078 -10.491 1.00 10.00 C ATOM 1525 C ALA A 96 -3.187 -7.212 -9.810 1.00 10.00 C ATOM 1526 O ALA A 96 -3.805 -8.172 -9.347 1.00 10.00 O ATOM 1527 CB ALA A 96 -3.822 -6.163 -12.003 1.00 10.00 C ATOM 0 H ALA A 96 -3.205 -4.133 -10.742 1.00 10.00 H new ATOM 0 HA ALA A 96 -5.000 -6.196 -10.228 1.00 10.00 H new ATOM 0 HB1 ALA A 96 -4.147 -7.147 -12.341 1.00 10.00 H new ATOM 0 HB2 ALA A 96 -4.445 -5.397 -12.464 1.00 10.00 H new ATOM 0 HB3 ALA A 96 -2.782 -6.006 -12.290 1.00 10.00 H new ATOM 1533 N TYR A 97 -1.857 -7.105 -9.721 1.00 10.00 N ATOM 1534 CA TYR A 97 -1.100 -8.069 -8.933 1.00 10.00 C ATOM 1535 C TYR A 97 -1.571 -8.032 -7.493 1.00 10.00 C ATOM 1536 O TYR A 97 -1.989 -9.052 -6.947 1.00 10.00 O ATOM 1537 CB TYR A 97 0.400 -7.792 -8.970 1.00 10.00 C ATOM 1538 CG TYR A 97 1.202 -8.704 -8.060 1.00 10.00 C ATOM 1539 CD1 TYR A 97 1.195 -10.092 -8.288 1.00 10.00 C ATOM 1540 CD2 TYR A 97 1.923 -8.182 -6.968 1.00 10.00 C ATOM 1541 CE1 TYR A 97 1.962 -10.944 -7.478 1.00 10.00 C ATOM 1542 CE2 TYR A 97 2.721 -9.033 -6.180 1.00 10.00 C ATOM 1543 CZ TYR A 97 2.754 -10.412 -6.449 1.00 10.00 C ATOM 1544 OH TYR A 97 3.568 -11.242 -5.738 1.00 10.00 O ATOM 0 H TYR A 97 -1.300 -6.380 -10.173 1.00 10.00 H new ATOM 0 HA TYR A 97 -1.273 -9.053 -9.370 1.00 10.00 H new ATOM 0 HB2 TYR A 97 0.758 -7.905 -9.993 1.00 10.00 H new ATOM 0 HB3 TYR A 97 0.578 -6.756 -8.683 1.00 10.00 H new ATOM 0 HD1 TYR A 97 0.598 -10.503 -9.088 1.00 10.00 H new ATOM 0 HD2 TYR A 97 1.864 -7.129 -6.735 1.00 10.00 H new ATOM 0 HE1 TYR A 97 1.943 -12.011 -7.647 1.00 10.00 H new ATOM 0 HE2 TYR A 97 3.307 -8.626 -5.369 1.00 10.00 H new ATOM 0 HH TYR A 97 4.053 -10.724 -5.062 1.00 10.00 H new ATOM 1554 N LEU A 98 -1.466 -6.848 -6.889 1.00 10.00 N ATOM 1555 CA LEU A 98 -1.789 -6.620 -5.497 1.00 10.00 C ATOM 1556 C LEU A 98 -3.083 -7.330 -5.092 1.00 10.00 C ATOM 1557 O LEU A 98 -3.070 -8.067 -4.113 1.00 10.00 O ATOM 1558 CB LEU A 98 -1.777 -5.111 -5.197 1.00 10.00 C ATOM 1559 CG LEU A 98 -0.774 -4.737 -4.093 1.00 10.00 C ATOM 1560 CD1 LEU A 98 0.303 -3.789 -4.604 1.00 10.00 C ATOM 1561 CD2 LEU A 98 -1.498 -4.088 -2.918 1.00 10.00 C ATOM 0 H LEU A 98 -1.146 -6.008 -7.372 1.00 10.00 H new ATOM 0 HA LEU A 98 -1.020 -7.070 -4.868 1.00 10.00 H new ATOM 0 HB2 LEU A 98 -1.530 -4.565 -6.108 1.00 10.00 H new ATOM 0 HB3 LEU A 98 -2.776 -4.796 -4.897 1.00 10.00 H new ATOM 0 HG LEU A 98 -0.293 -5.660 -3.769 1.00 10.00 H new ATOM 0 HD11 LEU A 98 0.991 -3.549 -3.793 1.00 10.00 H new ATOM 0 HD12 LEU A 98 0.851 -4.265 -5.417 1.00 10.00 H new ATOM 0 HD13 LEU A 98 -0.162 -2.873 -4.968 1.00 10.00 H new ATOM 0 HD21 LEU A 98 -0.776 -3.829 -2.144 1.00 10.00 H new ATOM 0 HD22 LEU A 98 -2.006 -3.185 -3.257 1.00 10.00 H new ATOM 0 HD23 LEU A 98 -2.230 -4.786 -2.512 1.00 10.00 H new ATOM 1573 N LYS A 99 -4.179 -7.174 -5.843 1.00 10.00 N ATOM 1574 CA LYS A 99 -5.419 -7.910 -5.601 1.00 10.00 C ATOM 1575 C LYS A 99 -5.154 -9.389 -5.322 1.00 10.00 C ATOM 1576 O LYS A 99 -5.528 -9.905 -4.271 1.00 10.00 O ATOM 1577 CB LYS A 99 -6.374 -7.804 -6.797 1.00 10.00 C ATOM 1578 CG LYS A 99 -7.132 -6.476 -6.876 1.00 10.00 C ATOM 1579 CD LYS A 99 -8.291 -6.662 -7.867 1.00 10.00 C ATOM 1580 CE LYS A 99 -9.092 -5.368 -8.060 1.00 10.00 C ATOM 1581 NZ LYS A 99 -10.240 -5.564 -8.971 1.00 10.00 N ATOM 0 H LYS A 99 -4.228 -6.533 -6.635 1.00 10.00 H new ATOM 0 HA LYS A 99 -5.878 -7.455 -4.723 1.00 10.00 H new ATOM 0 HB2 LYS A 99 -5.804 -7.940 -7.716 1.00 10.00 H new ATOM 0 HB3 LYS A 99 -7.096 -8.619 -6.745 1.00 10.00 H new ATOM 0 HG2 LYS A 99 -7.510 -6.191 -5.894 1.00 10.00 H new ATOM 0 HG3 LYS A 99 -6.470 -5.676 -7.207 1.00 10.00 H new ATOM 0 HD2 LYS A 99 -7.897 -6.992 -8.828 1.00 10.00 H new ATOM 0 HD3 LYS A 99 -8.954 -7.449 -7.507 1.00 10.00 H new ATOM 0 HE2 LYS A 99 -9.451 -5.015 -7.093 1.00 10.00 H new ATOM 0 HE3 LYS A 99 -8.439 -4.592 -8.460 1.00 10.00 H new ATOM 0 HZ1 LYS A 99 -10.757 -4.668 -9.076 1.00 10.00 H new ATOM 0 HZ2 LYS A 99 -9.896 -5.876 -9.901 1.00 10.00 H new ATOM 0 HZ3 LYS A 99 -10.876 -6.286 -8.577 1.00 10.00 H new ATOM 1595 N LYS A 100 -4.535 -10.069 -6.287 1.00 10.00 N ATOM 1596 CA LYS A 100 -4.314 -11.500 -6.209 1.00 10.00 C ATOM 1597 C LYS A 100 -3.401 -11.791 -5.023 1.00 10.00 C ATOM 1598 O LYS A 100 -3.728 -12.602 -4.166 1.00 10.00 O ATOM 1599 CB LYS A 100 -3.696 -12.009 -7.513 1.00 10.00 C ATOM 1600 CG LYS A 100 -4.545 -11.695 -8.753 1.00 10.00 C ATOM 1601 CD LYS A 100 -5.446 -12.848 -9.230 1.00 10.00 C ATOM 1602 CE LYS A 100 -6.828 -12.857 -8.556 1.00 10.00 C ATOM 1603 NZ LYS A 100 -7.659 -13.990 -9.017 1.00 10.00 N ATOM 0 H LYS A 100 -4.176 -9.639 -7.139 1.00 10.00 H new ATOM 0 HA LYS A 100 -5.263 -12.017 -6.066 1.00 10.00 H new ATOM 0 HB2 LYS A 100 -2.708 -11.565 -7.636 1.00 10.00 H new ATOM 0 HB3 LYS A 100 -3.554 -13.087 -7.443 1.00 10.00 H new ATOM 0 HG2 LYS A 100 -5.171 -10.829 -8.537 1.00 10.00 H new ATOM 0 HG3 LYS A 100 -3.880 -11.412 -9.569 1.00 10.00 H new ATOM 0 HD2 LYS A 100 -5.576 -12.776 -10.310 1.00 10.00 H new ATOM 0 HD3 LYS A 100 -4.946 -13.796 -9.032 1.00 10.00 H new ATOM 0 HE2 LYS A 100 -6.704 -12.914 -7.475 1.00 10.00 H new ATOM 0 HE3 LYS A 100 -7.342 -11.920 -8.769 1.00 10.00 H new ATOM 0 HZ1 LYS A 100 -8.582 -13.960 -8.539 1.00 10.00 H new ATOM 0 HZ2 LYS A 100 -7.799 -13.922 -10.045 1.00 10.00 H new ATOM 0 HZ3 LYS A 100 -7.181 -14.886 -8.791 1.00 10.00 H new ATOM 1617 N ALA A 101 -2.269 -11.090 -4.994 1.00 10.00 N ATOM 1618 CA ALA A 101 -1.171 -11.360 -4.083 1.00 10.00 C ATOM 1619 C ALA A 101 -1.619 -11.208 -2.634 1.00 10.00 C ATOM 1620 O ALA A 101 -1.424 -12.082 -1.800 1.00 10.00 O ATOM 1621 CB ALA A 101 -0.025 -10.402 -4.405 1.00 10.00 C ATOM 0 H ALA A 101 -2.091 -10.303 -5.618 1.00 10.00 H new ATOM 0 HA ALA A 101 -0.833 -12.388 -4.210 1.00 10.00 H new ATOM 0 HB1 ALA A 101 0.809 -10.592 -3.729 1.00 10.00 H new ATOM 0 HB2 ALA A 101 0.300 -10.556 -5.434 1.00 10.00 H new ATOM 0 HB3 ALA A 101 -0.365 -9.374 -4.282 1.00 10.00 H new ATOM 1627 N THR A 102 -2.242 -10.072 -2.331 1.00 10.00 N ATOM 1628 CA THR A 102 -2.720 -9.810 -0.990 1.00 10.00 C ATOM 1629 C THR A 102 -3.713 -10.890 -0.548 1.00 10.00 C ATOM 1630 O THR A 102 -3.682 -11.322 0.604 1.00 10.00 O ATOM 1631 CB THR A 102 -3.340 -8.416 -0.927 1.00 10.00 C ATOM 1632 OG1 THR A 102 -4.431 -8.289 -1.813 1.00 10.00 O ATOM 1633 CG2 THR A 102 -2.319 -7.303 -1.191 1.00 10.00 C ATOM 0 H THR A 102 -2.424 -9.324 -3.000 1.00 10.00 H new ATOM 0 HA THR A 102 -1.879 -9.841 -0.297 1.00 10.00 H new ATOM 0 HB THR A 102 -3.703 -8.298 0.094 1.00 10.00 H new ATOM 0 HG1 THR A 102 -4.112 -7.959 -2.679 1.00 10.00 H new ATOM 0 HG21 THR A 102 -2.814 -6.334 -1.134 1.00 10.00 H new ATOM 0 HG22 THR A 102 -1.527 -7.351 -0.443 1.00 10.00 H new ATOM 0 HG23 THR A 102 -1.888 -7.432 -2.184 1.00 10.00 H new ATOM 1641 N ASN A 103 -4.596 -11.303 -1.466 1.00 10.00 N ATOM 1642 CA ASN A 103 -5.579 -12.350 -1.231 1.00 10.00 C ATOM 1643 C ASN A 103 -4.880 -13.674 -0.892 1.00 10.00 C ATOM 1644 O ASN A 103 -5.109 -14.218 0.187 1.00 10.00 O ATOM 1645 CB ASN A 103 -6.519 -12.438 -2.444 1.00 10.00 C ATOM 1646 CG ASN A 103 -7.765 -13.280 -2.196 1.00 10.00 C ATOM 1647 OD1 ASN A 103 -7.736 -14.289 -1.506 1.00 10.00 O ATOM 1648 ND2 ASN A 103 -8.896 -12.864 -2.764 1.00 10.00 N ATOM 0 H ASN A 103 -4.642 -10.908 -2.405 1.00 10.00 H new ATOM 0 HA ASN A 103 -6.196 -12.112 -0.364 1.00 10.00 H new ATOM 0 HB2 ASN A 103 -6.823 -11.431 -2.730 1.00 10.00 H new ATOM 0 HB3 ASN A 103 -5.970 -12.857 -3.288 1.00 10.00 H new ATOM 0 HD21 ASN A 103 -9.759 -13.390 -2.627 1.00 10.00 H new ATOM 0 HD22 ASN A 103 -8.899 -12.020 -3.336 1.00 10.00 H new ATOM 1655 N GLU A 104 -4.007 -14.152 -1.785 1.00 10.00 N ATOM 1656 CA GLU A 104 -3.179 -15.335 -1.585 1.00 10.00 C ATOM 1657 C GLU A 104 -1.784 -15.077 -2.159 1.00 10.00 C ATOM 1658 O GLU A 104 -0.811 -15.255 -1.395 1.00 10.00 O ATOM 1659 CB GLU A 104 -3.797 -16.553 -2.286 1.00 10.00 C ATOM 1660 CG GLU A 104 -5.046 -17.100 -1.582 1.00 10.00 C ATOM 1661 CD GLU A 104 -5.540 -18.379 -2.250 1.00 10.00 C ATOM 1662 OE1 GLU A 104 -4.731 -19.329 -2.328 1.00 10.00 O ATOM 1663 OE2 GLU A 104 -6.714 -18.387 -2.679 1.00 10.00 O ATOM 1664 OXT GLU A 104 -1.718 -14.751 -3.367 1.00 10.00 O ATOM 0 H GLU A 104 -3.856 -13.710 -2.692 1.00 10.00 H new ATOM 0 HA GLU A 104 -3.114 -15.541 -0.517 1.00 10.00 H new ATOM 0 HB2 GLU A 104 -4.057 -16.280 -3.309 1.00 10.00 H new ATOM 0 HB3 GLU A 104 -3.050 -17.344 -2.348 1.00 10.00 H new ATOM 0 HG2 GLU A 104 -4.819 -17.298 -0.534 1.00 10.00 H new ATOM 0 HG3 GLU A 104 -5.835 -16.349 -1.600 1.00 10.00 H new