USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 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 22 THR OG1 : rot 180:sc= 0.68 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.767 K(o=1.4,f=0) USER MOD Set 2.1: A 7 THR OG1 : rot 130:sc= 0.797 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.3 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 155:sc= 0.0297 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 160:sc= 0.0329 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -171:sc= 1.27 (180deg=1.15) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 163:sc= 0.819 (180deg=-0.209!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -170:sc= 1.29 (180deg=1.1) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0446 X(o=-0.045,f=-0.24) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0394 K(o=-0.039,f=-0.87) USER MOD Single : A 41 GLN : amide:sc= -0.182 K(o=-0.18,f=-3.1) USER MOD Single : A 48 LYS NZ :NH3+ -151:sc= -0.123 (180deg=-0.794) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.194 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 60:sc= 0.726 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -141:sc= 1.31 (180deg=-0.628) USER MOD Single : A 65 SER OG : rot 78:sc= 0.873 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.718 -4.665 -4.648 1.00 0.78 N ATOM 2 CA MET A 1 12.466 -4.901 -3.209 1.00 0.70 C ATOM 3 C MET A 1 11.081 -5.407 -2.996 1.00 0.62 C ATOM 4 O MET A 1 10.175 -5.125 -3.779 1.00 0.68 O ATOM 5 CB MET A 1 12.695 -3.530 -2.552 1.00 0.75 C ATOM 6 CG MET A 1 12.581 -3.457 -1.027 1.00 0.79 C ATOM 7 SD MET A 1 10.956 -3.156 -0.269 1.00 1.10 S ATOM 8 CE MET A 1 10.988 -1.346 -0.406 1.00 0.84 C ATOM 0 H1 MET A 1 13.727 -4.461 -4.795 1.00 0.78 H new ATOM 0 H2 MET A 1 12.454 -5.512 -5.190 1.00 0.78 H new ATOM 0 H3 MET A 1 12.150 -3.856 -4.972 1.00 0.78 H new ATOM 0 HA MET A 1 13.118 -5.661 -2.779 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.689 -3.182 -2.833 1.00 0.75 H new ATOM 0 HB3 MET A 1 11.979 -2.827 -2.978 1.00 0.75 H new ATOM 0 HG2 MET A 1 12.961 -4.396 -0.625 1.00 0.79 H new ATOM 0 HG3 MET A 1 13.253 -2.669 -0.686 1.00 0.79 H new ATOM 0 HE1 MET A 1 10.068 -0.934 0.007 1.00 0.84 H new ATOM 0 HE2 MET A 1 11.842 -0.954 0.147 1.00 0.84 H new ATOM 0 HE3 MET A 1 11.074 -1.062 -1.455 1.00 0.84 H new ATOM 20 N GLN A 2 10.916 -6.169 -1.900 1.00 0.59 N ATOM 21 CA GLN A 2 9.703 -6.813 -1.500 1.00 0.56 C ATOM 22 C GLN A 2 8.999 -6.261 -0.309 1.00 0.50 C ATOM 23 O GLN A 2 9.692 -5.931 0.652 1.00 0.60 O ATOM 24 CB GLN A 2 10.062 -8.273 -1.180 1.00 0.71 C ATOM 25 CG GLN A 2 8.847 -9.167 -0.928 1.00 1.15 C ATOM 26 CD GLN A 2 9.381 -10.591 -0.864 1.00 1.30 C ATOM 27 OE1 GLN A 2 9.750 -11.101 0.193 1.00 1.87 O ATOM 28 NE2 GLN A 2 9.606 -11.237 -2.039 1.00 1.72 N ATOM 0 H GLN A 2 11.682 -6.347 -1.250 1.00 0.59 H new ATOM 0 HA GLN A 2 9.010 -6.666 -2.329 1.00 0.56 H new ATOM 0 HB2 GLN A 2 10.639 -8.685 -2.008 1.00 0.71 H new ATOM 0 HB3 GLN A 2 10.706 -8.295 -0.301 1.00 0.71 H new ATOM 0 HG2 GLN A 2 8.348 -8.895 0.002 1.00 1.15 H new ATOM 0 HG3 GLN A 2 8.112 -9.061 -1.726 1.00 1.15 H new ATOM 0 HE21 GLN A 2 9.302 -10.818 -2.918 1.00 1.72 H new ATOM 0 HE22 GLN A 2 10.079 -12.141 -2.042 1.00 1.72 H new ATOM 37 N ILE A 3 7.688 -5.966 -0.355 1.00 0.44 N ATOM 38 CA ILE A 3 6.984 -5.525 0.809 1.00 0.42 C ATOM 39 C ILE A 3 5.771 -6.384 0.914 1.00 0.40 C ATOM 40 O ILE A 3 5.425 -7.082 -0.038 1.00 0.50 O ATOM 41 CB ILE A 3 6.489 -4.108 0.793 1.00 0.48 C ATOM 42 CG1 ILE A 3 5.722 -3.874 -0.520 1.00 0.55 C ATOM 43 CG2 ILE A 3 7.641 -3.092 0.846 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.219 -2.449 -0.750 1.00 0.72 C ATOM 0 H ILE A 3 7.116 -6.033 -1.197 1.00 0.44 H new ATOM 0 HA ILE A 3 7.695 -5.590 1.632 1.00 0.42 H new ATOM 0 HB ILE A 3 5.858 -3.966 1.671 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.370 -4.149 -1.352 1.00 0.55 H new ATOM 0 HG13 ILE A 3 4.867 -4.550 -0.545 1.00 0.55 H new ATOM 0 HG21 ILE A 3 7.235 -2.081 0.832 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.215 -3.240 1.761 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.291 -3.234 -0.017 1.00 0.61 H new ATOM 0 HD11 ILE A 3 4.694 -2.398 -1.704 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.539 -2.169 0.054 1.00 0.72 H new ATOM 0 HD13 ILE A 3 6.065 -1.762 -0.765 1.00 0.72 H new ATOM 56 N PHE A 4 5.013 -6.324 2.023 1.00 0.37 N ATOM 57 CA PHE A 4 3.863 -7.141 2.257 1.00 0.38 C ATOM 58 C PHE A 4 2.744 -6.178 2.466 1.00 0.39 C ATOM 59 O PHE A 4 2.839 -5.269 3.288 1.00 0.60 O ATOM 60 CB PHE A 4 3.921 -7.959 3.558 1.00 0.45 C ATOM 61 CG PHE A 4 5.012 -8.971 3.488 1.00 0.51 C ATOM 62 CD1 PHE A 4 4.910 -10.023 2.610 1.00 1.16 C ATOM 63 CD2 PHE A 4 6.158 -8.820 4.233 1.00 1.30 C ATOM 64 CE1 PHE A 4 5.852 -11.026 2.581 1.00 1.23 C ATOM 65 CE2 PHE A 4 7.078 -9.838 4.324 1.00 1.40 C ATOM 66 CZ PHE A 4 6.931 -10.861 3.417 1.00 0.85 C ATOM 0 H PHE A 4 5.210 -5.679 2.789 1.00 0.37 H new ATOM 0 HA PHE A 4 3.770 -7.836 1.423 1.00 0.38 H new ATOM 0 HB2 PHE A 4 4.087 -7.294 4.406 1.00 0.45 H new ATOM 0 HB3 PHE A 4 2.966 -8.456 3.725 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.073 -10.064 1.928 1.00 1.16 H new ATOM 0 HD2 PHE A 4 6.338 -7.891 4.753 1.00 1.30 H new ATOM 0 HE1 PHE A 4 5.750 -11.890 1.941 1.00 1.23 H new ATOM 0 HE2 PHE A 4 7.867 -9.834 5.062 1.00 1.40 H new ATOM 0 HZ PHE A 4 7.724 -11.591 3.357 1.00 0.85 H new ATOM 76 N VAL A 5 1.531 -6.436 1.945 1.00 0.35 N ATOM 77 CA VAL A 5 0.366 -5.669 2.263 1.00 0.35 C ATOM 78 C VAL A 5 -0.652 -6.627 2.778 1.00 0.35 C ATOM 79 O VAL A 5 -0.981 -7.608 2.113 1.00 0.46 O ATOM 80 CB VAL A 5 -0.133 -4.986 1.024 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.427 -4.229 1.365 1.00 0.58 C ATOM 82 CG2 VAL A 5 0.998 -4.147 0.408 1.00 0.56 C ATOM 0 H VAL A 5 1.356 -7.196 1.287 1.00 0.35 H new ATOM 0 HA VAL A 5 0.580 -4.902 3.007 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.408 -5.692 0.240 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.801 -3.727 0.473 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -2.176 -4.933 1.726 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -1.222 -3.489 2.138 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.634 -3.651 -0.492 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.328 -3.397 1.127 1.00 0.56 H new ATOM 0 HG23 VAL A 5 1.835 -4.797 0.152 1.00 0.56 H new ATOM 92 N LYS A 6 -1.250 -6.262 3.927 1.00 0.36 N ATOM 93 CA LYS A 6 -2.370 -6.896 4.550 1.00 0.39 C ATOM 94 C LYS A 6 -3.707 -6.400 4.116 1.00 0.46 C ATOM 95 O LYS A 6 -4.141 -5.280 4.379 1.00 0.53 O ATOM 96 CB LYS A 6 -2.259 -6.843 6.082 1.00 0.54 C ATOM 97 CG LYS A 6 -0.973 -7.427 6.671 1.00 1.22 C ATOM 98 CD LYS A 6 -0.801 -8.943 6.546 1.00 1.37 C ATOM 99 CE LYS A 6 0.451 -9.412 7.289 1.00 1.93 C ATOM 100 NZ LYS A 6 0.563 -10.881 7.146 1.00 2.09 N ATOM 0 H LYS A 6 -0.922 -5.458 4.462 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.317 -7.929 4.206 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -2.344 -5.804 6.399 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -3.108 -7.377 6.509 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -0.124 -6.945 6.186 1.00 1.22 H new ATOM 0 HG3 LYS A 6 -0.929 -7.163 7.728 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -1.679 -9.447 6.950 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -0.730 -9.220 5.494 1.00 1.37 H new ATOM 0 HE2 LYS A 6 1.337 -8.924 6.883 1.00 1.93 H new ATOM 0 HE3 LYS A 6 0.391 -9.138 8.342 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 1.558 -11.165 7.252 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -0.010 -11.346 7.879 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 0.220 -11.166 6.206 1.00 2.09 H new ATOM 114 N THR A 7 -4.552 -7.265 3.528 1.00 0.58 N ATOM 115 CA THR A 7 -5.885 -6.844 3.227 1.00 0.78 C ATOM 116 C THR A 7 -6.782 -6.975 4.409 1.00 0.94 C ATOM 117 O THR A 7 -6.351 -7.552 5.406 1.00 0.99 O ATOM 118 CB THR A 7 -6.563 -7.628 2.143 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.870 -8.975 2.473 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.695 -7.666 0.874 1.00 0.92 C ATOM 0 H THR A 7 -4.324 -8.225 3.268 1.00 0.58 H new ATOM 0 HA THR A 7 -5.746 -5.812 2.906 1.00 0.78 H new ATOM 0 HB THR A 7 -7.504 -7.099 1.990 1.00 0.90 H new ATOM 0 HG1 THR A 7 -7.809 -9.158 2.260 1.00 0.90 H new ATOM 0 HG21 THR A 7 -6.206 -8.240 0.101 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.525 -6.650 0.519 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.738 -8.136 1.102 1.00 0.92 H new ATOM 128 N LEU A 8 -8.062 -6.562 4.373 1.00 1.17 N ATOM 129 CA LEU A 8 -9.062 -6.600 5.395 1.00 1.39 C ATOM 130 C LEU A 8 -9.723 -7.916 5.615 1.00 1.44 C ATOM 131 O LEU A 8 -10.378 -8.314 6.578 1.00 1.60 O ATOM 132 CB LEU A 8 -10.157 -5.541 5.185 1.00 1.66 C ATOM 133 CG LEU A 8 -9.605 -4.108 5.104 1.00 2.11 C ATOM 134 CD1 LEU A 8 -10.738 -3.252 4.511 1.00 2.53 C ATOM 135 CD2 LEU A 8 -9.074 -3.399 6.361 1.00 2.43 C ATOM 0 H LEU A 8 -8.438 -6.151 3.519 1.00 1.17 H new ATOM 0 HA LEU A 8 -8.480 -6.385 6.291 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -10.701 -5.767 4.268 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.874 -5.602 6.004 1.00 1.66 H new ATOM 0 HG LEU A 8 -8.694 -4.212 4.515 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -10.407 -2.217 4.428 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -11.000 -3.630 3.523 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -11.611 -3.302 5.162 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -8.730 -2.399 6.097 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -9.871 -3.325 7.101 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -8.244 -3.970 6.777 1.00 2.43 H new ATOM 147 N THR A 9 -9.548 -8.770 4.591 1.00 1.41 N ATOM 148 CA THR A 9 -10.234 -10.018 4.465 1.00 1.51 C ATOM 149 C THR A 9 -9.341 -11.068 5.029 1.00 1.37 C ATOM 150 O THR A 9 -9.729 -11.852 5.896 1.00 1.62 O ATOM 151 CB THR A 9 -10.605 -10.361 3.052 1.00 1.65 C ATOM 152 OG1 THR A 9 -9.649 -10.127 2.027 1.00 1.89 O ATOM 153 CG2 THR A 9 -11.717 -9.355 2.708 1.00 2.08 C ATOM 0 H THR A 9 -8.904 -8.584 3.822 1.00 1.41 H new ATOM 0 HA THR A 9 -11.179 -9.949 5.004 1.00 1.51 H new ATOM 0 HB THR A 9 -10.807 -11.432 3.055 1.00 1.65 H new ATOM 0 HG1 THR A 9 -10.024 -10.397 1.163 1.00 1.89 H new ATOM 0 HG21 THR A 9 -12.058 -9.525 1.687 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.552 -9.486 3.396 1.00 2.08 H new ATOM 0 HG23 THR A 9 -11.330 -8.340 2.797 1.00 2.08 H new ATOM 161 N GLY A 10 -8.105 -11.203 4.517 1.00 1.18 N ATOM 162 CA GLY A 10 -7.140 -12.122 5.036 1.00 1.22 C ATOM 163 C GLY A 10 -6.052 -12.508 4.094 1.00 0.99 C ATOM 164 O GLY A 10 -5.576 -13.626 4.281 1.00 1.31 O ATOM 0 H GLY A 10 -7.768 -10.660 3.722 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -6.688 -11.684 5.926 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -7.659 -13.026 5.354 1.00 1.22 H new ATOM 168 N LYS A 11 -5.701 -11.722 3.060 1.00 0.73 N ATOM 169 CA LYS A 11 -4.776 -12.032 2.014 1.00 0.60 C ATOM 170 C LYS A 11 -3.557 -11.196 2.199 1.00 0.51 C ATOM 171 O LYS A 11 -3.711 -10.006 2.473 1.00 0.63 O ATOM 172 CB LYS A 11 -5.368 -11.969 0.597 1.00 0.75 C ATOM 173 CG LYS A 11 -4.363 -12.071 -0.554 1.00 0.87 C ATOM 174 CD LYS A 11 -5.088 -12.124 -1.900 1.00 1.04 C ATOM 175 CE LYS A 11 -4.199 -12.263 -3.138 1.00 1.30 C ATOM 176 NZ LYS A 11 -5.032 -12.280 -4.362 1.00 1.40 N ATOM 0 H LYS A 11 -6.100 -10.790 2.948 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.502 -13.083 2.099 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -6.094 -12.775 0.492 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -5.915 -11.032 0.494 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -3.689 -11.215 -0.532 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -3.750 -12.963 -0.430 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -5.785 -12.962 -1.882 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -5.683 -11.217 -2.005 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -3.491 -11.435 -3.182 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -3.614 -13.180 -3.074 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -4.435 -12.085 -5.191 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -5.476 -13.215 -4.467 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -5.771 -11.552 -4.289 1.00 1.40 H new ATOM 190 N THR A 12 -2.332 -11.710 1.992 1.00 0.49 N ATOM 191 CA THR A 12 -1.201 -10.840 2.090 1.00 0.48 C ATOM 192 C THR A 12 -0.834 -10.704 0.652 1.00 0.52 C ATOM 193 O THR A 12 -0.504 -11.694 -0.001 1.00 0.72 O ATOM 194 CB THR A 12 -0.057 -11.352 2.915 1.00 0.64 C ATOM 195 OG1 THR A 12 -0.569 -11.834 4.149 1.00 0.77 O ATOM 196 CG2 THR A 12 1.020 -10.260 3.022 1.00 0.78 C ATOM 0 H THR A 12 -2.127 -12.683 1.767 1.00 0.49 H new ATOM 0 HA THR A 12 -1.436 -9.913 2.612 1.00 0.48 H new ATOM 0 HB THR A 12 0.446 -12.201 2.452 1.00 0.64 H new ATOM 0 HG1 THR A 12 0.079 -12.447 4.555 1.00 0.77 H new ATOM 0 HG21 THR A 12 1.853 -10.628 3.621 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.376 -10.001 2.025 1.00 0.78 H new ATOM 0 HG23 THR A 12 0.595 -9.375 3.496 1.00 0.78 H new ATOM 204 N ILE A 13 -0.753 -9.480 0.100 1.00 0.48 N ATOM 205 CA ILE A 13 -0.403 -9.218 -1.261 1.00 0.55 C ATOM 206 C ILE A 13 1.064 -8.959 -1.233 1.00 0.51 C ATOM 207 O ILE A 13 1.518 -7.988 -0.629 1.00 0.56 O ATOM 208 CB ILE A 13 -1.092 -8.125 -2.025 1.00 0.69 C ATOM 209 CG1 ILE A 13 -2.583 -8.150 -1.649 1.00 1.15 C ATOM 210 CG2 ILE A 13 -0.910 -8.246 -3.547 1.00 1.13 C ATOM 211 CD1 ILE A 13 -3.463 -7.033 -2.209 1.00 1.55 C ATOM 0 H ILE A 13 -0.942 -8.630 0.631 1.00 0.48 H new ATOM 0 HA ILE A 13 -0.743 -10.089 -1.821 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.638 -7.172 -1.751 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.998 -9.103 -1.976 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -2.658 -8.126 -0.562 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -1.432 -7.427 -4.042 1.00 1.13 H new ATOM 0 HG22 ILE A 13 0.151 -8.201 -3.791 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -1.321 -9.196 -3.888 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -4.489 -7.171 -1.867 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -3.092 -6.069 -1.862 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -3.437 -7.061 -3.298 1.00 1.55 H new ATOM 223 N THR A 14 1.847 -9.730 -2.009 1.00 0.55 N ATOM 224 CA THR A 14 3.261 -9.625 -2.197 1.00 0.54 C ATOM 225 C THR A 14 3.541 -8.717 -3.346 1.00 0.55 C ATOM 226 O THR A 14 3.287 -8.982 -4.520 1.00 0.72 O ATOM 227 CB THR A 14 3.890 -10.976 -2.361 1.00 0.67 C ATOM 228 OG1 THR A 14 3.576 -11.871 -1.304 1.00 1.08 O ATOM 229 CG2 THR A 14 5.413 -10.763 -2.419 1.00 1.03 C ATOM 0 H THR A 14 1.452 -10.496 -2.554 1.00 0.55 H new ATOM 0 HA THR A 14 3.715 -9.190 -1.306 1.00 0.54 H new ATOM 0 HB THR A 14 3.501 -11.433 -3.271 1.00 0.67 H new ATOM 0 HG1 THR A 14 4.011 -12.734 -1.466 1.00 1.08 H new ATOM 0 HG21 THR A 14 5.911 -11.725 -2.538 1.00 1.03 H new ATOM 0 HG22 THR A 14 5.659 -10.120 -3.264 1.00 1.03 H new ATOM 0 HG23 THR A 14 5.750 -10.292 -1.495 1.00 1.03 H new ATOM 237 N LEU A 15 4.020 -7.509 -3.003 1.00 0.50 N ATOM 238 CA LEU A 15 4.268 -6.515 -4.000 1.00 0.55 C ATOM 239 C LEU A 15 5.738 -6.441 -4.235 1.00 0.52 C ATOM 240 O LEU A 15 6.572 -6.403 -3.333 1.00 0.58 O ATOM 241 CB LEU A 15 3.603 -5.165 -3.680 1.00 0.69 C ATOM 242 CG LEU A 15 2.102 -5.243 -3.356 1.00 0.76 C ATOM 243 CD1 LEU A 15 1.638 -3.829 -2.966 1.00 1.38 C ATOM 244 CD2 LEU A 15 1.350 -5.698 -4.617 1.00 1.55 C ATOM 0 H LEU A 15 4.234 -7.222 -2.048 1.00 0.50 H new ATOM 0 HA LEU A 15 3.791 -6.805 -4.936 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.120 -4.714 -2.833 1.00 0.69 H new ATOM 0 HB3 LEU A 15 3.742 -4.497 -4.530 1.00 0.69 H new ATOM 0 HG LEU A 15 1.909 -5.946 -2.545 1.00 0.76 H new ATOM 0 HD11 LEU A 15 0.574 -3.848 -2.729 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.198 -3.490 -2.095 1.00 1.38 H new ATOM 0 HD13 LEU A 15 1.813 -3.146 -3.798 1.00 1.38 H new ATOM 0 HD21 LEU A 15 0.283 -5.758 -4.403 1.00 1.55 H new ATOM 0 HD22 LEU A 15 1.519 -4.981 -5.420 1.00 1.55 H new ATOM 0 HD23 LEU A 15 1.714 -6.678 -4.924 1.00 1.55 H new ATOM 256 N GLU A 16 6.186 -6.524 -5.501 1.00 0.59 N ATOM 257 CA GLU A 16 7.531 -6.168 -5.831 1.00 0.63 C ATOM 258 C GLU A 16 7.648 -4.729 -6.200 1.00 0.65 C ATOM 259 O GLU A 16 6.949 -4.221 -7.074 1.00 0.81 O ATOM 260 CB GLU A 16 8.057 -7.157 -6.884 1.00 0.76 C ATOM 261 CG GLU A 16 9.563 -7.253 -6.626 1.00 1.41 C ATOM 262 CD GLU A 16 10.259 -8.264 -7.526 1.00 1.52 C ATOM 263 OE1 GLU A 16 10.062 -9.484 -7.277 1.00 1.95 O ATOM 264 OE2 GLU A 16 11.015 -7.741 -8.387 1.00 1.92 O ATOM 0 H GLU A 16 5.621 -6.835 -6.291 1.00 0.59 H new ATOM 0 HA GLU A 16 8.178 -6.259 -4.958 1.00 0.63 H new ATOM 0 HB2 GLU A 16 7.577 -8.131 -6.784 1.00 0.76 H new ATOM 0 HB3 GLU A 16 7.852 -6.803 -7.894 1.00 0.76 H new ATOM 0 HG2 GLU A 16 10.014 -6.272 -6.774 1.00 1.41 H new ATOM 0 HG3 GLU A 16 9.731 -7.527 -5.584 1.00 1.41 H new ATOM 271 N VAL A 17 8.397 -3.926 -5.423 1.00 0.61 N ATOM 272 CA VAL A 17 8.461 -2.503 -5.546 1.00 0.63 C ATOM 273 C VAL A 17 9.874 -2.031 -5.589 1.00 0.65 C ATOM 274 O VAL A 17 10.810 -2.707 -5.168 1.00 0.76 O ATOM 275 CB VAL A 17 7.812 -1.829 -4.373 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.286 -1.986 -4.492 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.289 -2.389 -3.022 1.00 0.92 C ATOM 0 H VAL A 17 8.986 -4.287 -4.673 1.00 0.61 H new ATOM 0 HA VAL A 17 7.942 -2.250 -6.471 1.00 0.63 H new ATOM 0 HB VAL A 17 8.098 -0.777 -4.395 1.00 0.70 H new ATOM 0 HG11 VAL A 17 5.803 -1.500 -3.644 1.00 0.96 H new ATOM 0 HG12 VAL A 17 5.944 -1.525 -5.418 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.029 -3.045 -4.498 1.00 0.96 H new ATOM 0 HG21 VAL A 17 7.785 -1.863 -2.212 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.054 -3.452 -2.965 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.366 -2.250 -2.930 1.00 0.92 H new ATOM 287 N GLU A 18 10.138 -0.817 -6.107 1.00 0.68 N ATOM 288 CA GLU A 18 11.380 -0.109 -6.079 1.00 0.74 C ATOM 289 C GLU A 18 11.318 0.897 -4.981 1.00 0.71 C ATOM 290 O GLU A 18 10.214 1.416 -4.820 1.00 0.74 O ATOM 291 CB GLU A 18 11.694 0.590 -7.413 1.00 0.88 C ATOM 292 CG GLU A 18 13.099 1.166 -7.605 1.00 1.16 C ATOM 293 CD GLU A 18 14.099 0.122 -8.079 1.00 1.71 C ATOM 294 OE1 GLU A 18 14.302 -0.948 -7.445 1.00 2.35 O ATOM 295 OE2 GLU A 18 14.804 0.411 -9.083 1.00 2.33 O ATOM 0 H GLU A 18 9.414 -0.285 -6.589 1.00 0.68 H new ATOM 0 HA GLU A 18 12.181 -0.828 -5.909 1.00 0.74 H new ATOM 0 HB2 GLU A 18 11.513 -0.124 -8.216 1.00 0.88 H new ATOM 0 HB3 GLU A 18 10.979 1.402 -7.542 1.00 0.88 H new ATOM 0 HG2 GLU A 18 13.058 1.980 -8.329 1.00 1.16 H new ATOM 0 HG3 GLU A 18 13.444 1.594 -6.664 1.00 1.16 H new ATOM 302 N PRO A 19 12.288 1.302 -4.218 1.00 0.74 N ATOM 303 CA PRO A 19 11.998 2.247 -3.179 1.00 0.74 C ATOM 304 C PRO A 19 11.744 3.625 -3.683 1.00 0.70 C ATOM 305 O PRO A 19 11.188 4.394 -2.899 1.00 0.74 O ATOM 306 CB PRO A 19 13.260 2.299 -2.320 1.00 0.86 C ATOM 307 CG PRO A 19 14.269 1.300 -2.906 1.00 0.95 C ATOM 308 CD PRO A 19 13.468 0.495 -3.942 1.00 0.82 C ATOM 0 HA PRO A 19 11.097 1.931 -2.653 1.00 0.74 H new ATOM 0 HB2 PRO A 19 13.678 3.306 -2.316 1.00 0.86 H new ATOM 0 HB3 PRO A 19 13.029 2.046 -1.285 1.00 0.86 H new ATOM 0 HG2 PRO A 19 15.111 1.814 -3.370 1.00 0.95 H new ATOM 0 HG3 PRO A 19 14.679 0.651 -2.132 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.051 0.327 -4.847 1.00 0.82 H new ATOM 0 HD3 PRO A 19 13.193 -0.485 -3.553 1.00 0.82 H new ATOM 316 N SER A 20 12.104 4.038 -4.911 1.00 0.70 N ATOM 317 CA SER A 20 11.759 5.290 -5.512 1.00 0.74 C ATOM 318 C SER A 20 10.354 5.289 -6.006 1.00 0.71 C ATOM 319 O SER A 20 9.963 6.343 -6.503 1.00 0.80 O ATOM 320 CB SER A 20 12.643 5.620 -6.726 1.00 0.89 C ATOM 321 OG SER A 20 13.984 5.648 -6.259 1.00 1.45 O ATOM 0 H SER A 20 12.675 3.458 -5.525 1.00 0.70 H new ATOM 0 HA SER A 20 11.902 6.031 -4.726 1.00 0.74 H new ATOM 0 HB2 SER A 20 12.521 4.871 -7.508 1.00 0.89 H new ATOM 0 HB3 SER A 20 12.364 6.581 -7.158 1.00 0.89 H new ATOM 0 HG SER A 20 14.586 5.854 -7.004 1.00 1.45 H new ATOM 327 N ASP A 21 9.562 4.204 -5.926 1.00 0.70 N ATOM 328 CA ASP A 21 8.207 4.233 -6.379 1.00 0.73 C ATOM 329 C ASP A 21 7.385 5.001 -5.403 1.00 0.64 C ATOM 330 O ASP A 21 7.404 4.788 -4.192 1.00 0.66 O ATOM 331 CB ASP A 21 7.552 2.840 -6.390 1.00 0.87 C ATOM 332 CG ASP A 21 8.089 2.053 -7.577 1.00 1.05 C ATOM 333 OD1 ASP A 21 8.255 2.697 -8.647 1.00 1.50 O ATOM 334 OD2 ASP A 21 8.338 0.822 -7.479 1.00 1.69 O ATOM 0 H ASP A 21 9.862 3.306 -5.547 1.00 0.70 H new ATOM 0 HA ASP A 21 8.237 4.659 -7.382 1.00 0.73 H new ATOM 0 HB2 ASP A 21 7.768 2.314 -5.460 1.00 0.87 H new ATOM 0 HB3 ASP A 21 6.468 2.933 -6.459 1.00 0.87 H new ATOM 339 N THR A 22 6.493 5.785 -6.035 1.00 0.63 N ATOM 340 CA THR A 22 5.484 6.429 -5.254 1.00 0.58 C ATOM 341 C THR A 22 4.440 5.454 -4.828 1.00 0.53 C ATOM 342 O THR A 22 4.234 4.431 -5.480 1.00 0.58 O ATOM 343 CB THR A 22 4.715 7.560 -5.869 1.00 0.63 C ATOM 344 OG1 THR A 22 4.369 7.188 -7.195 1.00 0.70 O ATOM 345 CG2 THR A 22 5.681 8.748 -6.009 1.00 0.75 C ATOM 0 H THR A 22 6.467 5.968 -7.038 1.00 0.63 H new ATOM 0 HA THR A 22 6.091 6.848 -4.451 1.00 0.58 H new ATOM 0 HB THR A 22 3.837 7.798 -5.268 1.00 0.63 H new ATOM 0 HG1 THR A 22 3.863 7.914 -7.617 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.156 9.593 -6.454 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.055 9.031 -5.025 1.00 0.75 H new ATOM 0 HG23 THR A 22 6.518 8.463 -6.647 1.00 0.75 H new ATOM 353 N ILE A 23 3.728 5.843 -3.755 1.00 0.51 N ATOM 354 CA ILE A 23 2.612 5.083 -3.285 1.00 0.48 C ATOM 355 C ILE A 23 1.510 4.973 -4.281 1.00 0.48 C ATOM 356 O ILE A 23 0.853 3.937 -4.366 1.00 0.51 O ATOM 357 CB ILE A 23 2.163 5.580 -1.942 1.00 0.52 C ATOM 358 CG1 ILE A 23 3.354 5.973 -1.053 1.00 0.60 C ATOM 359 CG2 ILE A 23 1.194 4.630 -1.218 1.00 0.61 C ATOM 360 CD1 ILE A 23 4.276 4.830 -0.630 1.00 0.73 C ATOM 0 H ILE A 23 3.925 6.684 -3.213 1.00 0.51 H new ATOM 0 HA ILE A 23 2.949 4.055 -3.151 1.00 0.48 H new ATOM 0 HB ILE A 23 1.585 6.482 -2.143 1.00 0.52 H new ATOM 0 HG12 ILE A 23 3.949 6.717 -1.583 1.00 0.60 H new ATOM 0 HG13 ILE A 23 2.969 6.455 -0.154 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.915 5.059 -0.255 1.00 0.61 H new ATOM 0 HG22 ILE A 23 0.300 4.490 -1.825 1.00 0.61 H new ATOM 0 HG23 ILE A 23 1.679 3.667 -1.059 1.00 0.61 H new ATOM 0 HD11 ILE A 23 5.080 5.222 -0.007 1.00 0.73 H new ATOM 0 HD12 ILE A 23 3.706 4.093 -0.065 1.00 0.73 H new ATOM 0 HD13 ILE A 23 4.701 4.359 -1.516 1.00 0.73 H new ATOM 372 N GLU A 24 1.290 5.967 -5.160 1.00 0.50 N ATOM 373 CA GLU A 24 0.498 5.970 -6.350 1.00 0.53 C ATOM 374 C GLU A 24 0.771 4.875 -7.324 1.00 0.50 C ATOM 375 O GLU A 24 -0.108 4.356 -8.009 1.00 0.55 O ATOM 376 CB GLU A 24 0.657 7.323 -7.065 1.00 0.64 C ATOM 377 CG GLU A 24 -0.234 7.565 -8.285 1.00 0.95 C ATOM 378 CD GLU A 24 -0.035 8.944 -8.897 1.00 1.05 C ATOM 379 OE1 GLU A 24 1.140 9.325 -9.150 1.00 1.62 O ATOM 380 OE2 GLU A 24 -1.037 9.668 -9.142 1.00 1.56 O ATOM 0 H GLU A 24 1.723 6.879 -5.014 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.521 5.797 -6.004 1.00 0.53 H new ATOM 0 HB2 GLU A 24 0.465 8.115 -6.341 1.00 0.64 H new ATOM 0 HB3 GLU A 24 1.696 7.422 -7.378 1.00 0.64 H new ATOM 0 HG2 GLU A 24 -0.025 6.805 -9.038 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -1.278 7.448 -7.995 1.00 0.95 H new ATOM 387 N ASN A 25 2.028 4.413 -7.443 1.00 0.51 N ATOM 388 CA ASN A 25 2.472 3.327 -8.260 1.00 0.52 C ATOM 389 C ASN A 25 2.288 2.056 -7.506 1.00 0.47 C ATOM 390 O ASN A 25 2.146 0.950 -8.027 1.00 0.53 O ATOM 391 CB ASN A 25 3.859 3.495 -8.905 1.00 0.64 C ATOM 392 CG ASN A 25 3.689 4.557 -9.981 1.00 1.23 C ATOM 393 OD1 ASN A 25 3.298 4.229 -11.100 1.00 2.13 O ATOM 394 ND2 ASN A 25 3.874 5.883 -9.739 1.00 1.57 N ATOM 0 H ASN A 25 2.797 4.836 -6.923 1.00 0.51 H new ATOM 0 HA ASN A 25 1.841 3.306 -9.149 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.599 3.802 -8.166 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.207 2.556 -9.334 1.00 0.64 H new ATOM 0 HD21 ASN A 25 3.689 6.566 -10.474 1.00 1.57 H new ATOM 0 HD22 ASN A 25 4.197 6.194 -8.823 1.00 1.57 H new ATOM 401 N VAL A 26 2.368 2.096 -6.164 1.00 0.45 N ATOM 402 CA VAL A 26 2.193 0.972 -5.297 1.00 0.44 C ATOM 403 C VAL A 26 0.769 0.530 -5.280 1.00 0.40 C ATOM 404 O VAL A 26 0.490 -0.668 -5.330 1.00 0.44 O ATOM 405 CB VAL A 26 2.598 1.138 -3.863 1.00 0.50 C ATOM 406 CG1 VAL A 26 2.432 -0.217 -3.157 1.00 0.60 C ATOM 407 CG2 VAL A 26 4.070 1.522 -3.634 1.00 0.62 C ATOM 0 H VAL A 26 2.565 2.959 -5.657 1.00 0.45 H new ATOM 0 HA VAL A 26 2.875 0.244 -5.736 1.00 0.44 H new ATOM 0 HB VAL A 26 1.970 1.944 -3.485 1.00 0.50 H new ATOM 0 HG11 VAL A 26 2.721 -0.120 -2.111 1.00 0.60 H new ATOM 0 HG12 VAL A 26 1.391 -0.534 -3.218 1.00 0.60 H new ATOM 0 HG13 VAL A 26 3.066 -0.960 -3.641 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.259 1.617 -2.565 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.717 0.749 -4.049 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.279 2.472 -4.125 1.00 0.62 H new ATOM 417 N LYS A 27 -0.188 1.473 -5.232 1.00 0.40 N ATOM 418 CA LYS A 27 -1.599 1.314 -5.398 1.00 0.41 C ATOM 419 C LYS A 27 -1.978 0.828 -6.755 1.00 0.38 C ATOM 420 O LYS A 27 -2.980 0.135 -6.925 1.00 0.42 O ATOM 421 CB LYS A 27 -2.335 2.641 -5.149 1.00 0.51 C ATOM 422 CG LYS A 27 -2.353 2.970 -3.656 1.00 0.76 C ATOM 423 CD LYS A 27 -3.156 4.225 -3.306 1.00 0.82 C ATOM 424 CE LYS A 27 -3.040 4.706 -1.858 1.00 1.22 C ATOM 425 NZ LYS A 27 -3.775 5.988 -1.811 1.00 1.11 N ATOM 0 H LYS A 27 0.055 2.448 -5.059 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.893 0.563 -4.665 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -1.845 3.444 -5.699 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.356 2.574 -5.525 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.769 2.122 -3.112 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.327 3.099 -3.310 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -2.837 5.033 -3.964 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -4.207 4.033 -3.523 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -3.470 3.981 -1.167 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -1.997 4.840 -1.571 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -3.597 6.457 -0.900 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -3.452 6.602 -2.586 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -4.794 5.808 -1.914 1.00 1.11 H new ATOM 439 N ALA A 28 -1.159 1.124 -7.779 1.00 0.39 N ATOM 440 CA ALA A 28 -1.358 0.640 -9.111 1.00 0.39 C ATOM 441 C ALA A 28 -0.862 -0.758 -9.249 1.00 0.36 C ATOM 442 O ALA A 28 -1.219 -1.517 -10.149 1.00 0.42 O ATOM 443 CB ALA A 28 -0.698 1.514 -10.190 1.00 0.51 C ATOM 0 H ALA A 28 -0.335 1.717 -7.679 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.435 0.678 -9.274 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.891 1.086 -11.174 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -1.112 2.521 -10.145 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.377 1.555 -10.017 1.00 0.51 H new ATOM 449 N LYS A 29 0.049 -1.214 -8.369 1.00 0.39 N ATOM 450 CA LYS A 29 0.407 -2.597 -8.316 1.00 0.43 C ATOM 451 C LYS A 29 -0.607 -3.475 -7.668 1.00 0.44 C ATOM 452 O LYS A 29 -0.831 -4.611 -8.084 1.00 0.54 O ATOM 453 CB LYS A 29 1.757 -2.827 -7.616 1.00 0.54 C ATOM 454 CG LYS A 29 2.866 -2.193 -8.459 1.00 0.65 C ATOM 455 CD LYS A 29 4.218 -2.132 -7.743 1.00 1.08 C ATOM 456 CE LYS A 29 5.084 -0.964 -8.219 1.00 1.24 C ATOM 457 NZ LYS A 29 5.700 -1.127 -9.555 1.00 1.44 N ATOM 0 H LYS A 29 0.537 -0.624 -7.695 1.00 0.39 H new ATOM 0 HA LYS A 29 0.473 -2.878 -9.367 1.00 0.43 H new ATOM 0 HB2 LYS A 29 1.744 -2.388 -6.618 1.00 0.54 H new ATOM 0 HB3 LYS A 29 1.941 -3.894 -7.492 1.00 0.54 H new ATOM 0 HG2 LYS A 29 2.978 -2.760 -9.383 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.566 -1.183 -8.739 1.00 0.65 H new ATOM 0 HD2 LYS A 29 4.053 -2.043 -6.669 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.754 -3.067 -7.906 1.00 1.08 H new ATOM 0 HE2 LYS A 29 4.472 -0.062 -8.228 1.00 1.24 H new ATOM 0 HE3 LYS A 29 5.878 -0.803 -7.490 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 6.264 -0.283 -9.782 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 6.316 -1.965 -9.554 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 4.954 -1.247 -10.269 1.00 1.44 H new ATOM 471 N ILE A 30 -1.376 -2.940 -6.702 1.00 0.41 N ATOM 472 CA ILE A 30 -2.513 -3.623 -6.165 1.00 0.44 C ATOM 473 C ILE A 30 -3.562 -3.741 -7.217 1.00 0.45 C ATOM 474 O ILE A 30 -4.210 -4.780 -7.338 1.00 0.56 O ATOM 475 CB ILE A 30 -3.083 -3.035 -4.909 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.915 -3.029 -3.908 1.00 0.52 C ATOM 477 CG2 ILE A 30 -4.196 -3.909 -4.308 1.00 0.56 C ATOM 478 CD1 ILE A 30 -2.257 -2.490 -2.520 1.00 1.32 C ATOM 0 H ILE A 30 -1.207 -2.023 -6.289 1.00 0.41 H new ATOM 0 HA ILE A 30 -2.153 -4.606 -5.862 1.00 0.44 H new ATOM 0 HB ILE A 30 -3.509 -2.054 -5.118 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.540 -4.047 -3.804 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -1.103 -2.432 -4.323 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.576 -3.441 -3.400 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -5.006 -4.013 -5.029 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -3.795 -4.894 -4.068 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -1.370 -2.526 -1.887 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -2.601 -1.459 -2.605 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -3.044 -3.100 -2.077 1.00 1.32 H new ATOM 490 N GLN A 31 -3.719 -2.690 -8.042 1.00 0.41 N ATOM 491 CA GLN A 31 -4.554 -2.767 -9.200 1.00 0.48 C ATOM 492 C GLN A 31 -4.147 -3.860 -10.129 1.00 0.52 C ATOM 493 O GLN A 31 -4.937 -4.737 -10.475 1.00 0.66 O ATOM 494 CB GLN A 31 -4.629 -1.378 -9.855 1.00 0.52 C ATOM 495 CG GLN A 31 -5.551 -1.474 -11.072 1.00 0.70 C ATOM 496 CD GLN A 31 -5.579 -0.138 -11.799 1.00 0.97 C ATOM 497 OE1 GLN A 31 -6.689 0.358 -11.979 1.00 1.70 O ATOM 498 NE2 GLN A 31 -4.414 0.491 -12.113 1.00 1.43 N ATOM 0 H GLN A 31 -3.267 -1.786 -7.907 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.564 -3.047 -8.901 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -5.010 -0.643 -9.146 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.636 -1.045 -10.156 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -5.202 -2.258 -11.744 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -6.558 -1.749 -10.757 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -3.522 0.028 -11.940 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -4.433 1.426 -12.521 1.00 1.43 H new ATOM 507 N ASP A 32 -2.899 -3.843 -10.628 1.00 0.50 N ATOM 508 CA ASP A 32 -2.313 -4.808 -11.506 1.00 0.60 C ATOM 509 C ASP A 32 -2.570 -6.188 -11.008 1.00 0.65 C ATOM 510 O ASP A 32 -3.051 -7.026 -11.770 1.00 0.81 O ATOM 511 CB ASP A 32 -0.794 -4.595 -11.630 1.00 0.67 C ATOM 512 CG ASP A 32 -0.340 -5.271 -12.915 1.00 0.91 C ATOM 513 OD1 ASP A 32 -0.517 -4.784 -14.063 1.00 1.55 O ATOM 514 OD2 ASP A 32 0.284 -6.350 -12.732 1.00 1.51 O ATOM 0 H ASP A 32 -2.248 -3.093 -10.398 1.00 0.50 H new ATOM 0 HA ASP A 32 -2.771 -4.680 -12.487 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -0.557 -3.531 -11.652 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -0.276 -5.019 -10.770 1.00 0.67 H new ATOM 519 N LYS A 33 -2.319 -6.529 -9.731 1.00 0.62 N ATOM 520 CA LYS A 33 -2.436 -7.808 -9.102 1.00 0.73 C ATOM 521 C LYS A 33 -3.848 -8.282 -9.056 1.00 0.69 C ATOM 522 O LYS A 33 -4.179 -9.345 -9.581 1.00 0.83 O ATOM 523 CB LYS A 33 -1.847 -7.851 -7.682 1.00 0.85 C ATOM 524 CG LYS A 33 -0.317 -7.827 -7.661 1.00 1.31 C ATOM 525 CD LYS A 33 0.401 -9.169 -7.807 1.00 1.71 C ATOM 526 CE LYS A 33 1.804 -8.814 -8.304 1.00 2.26 C ATOM 527 NZ LYS A 33 2.615 -10.051 -8.368 1.00 2.62 N ATOM 0 H LYS A 33 -1.998 -5.825 -9.067 1.00 0.62 H new ATOM 0 HA LYS A 33 -1.847 -8.477 -9.730 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -2.225 -7.001 -7.113 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -2.196 -8.752 -7.178 1.00 0.85 H new ATOM 0 HG2 LYS A 33 0.022 -7.172 -8.464 1.00 1.31 H new ATOM 0 HG3 LYS A 33 0.002 -7.373 -6.723 1.00 1.31 H new ATOM 0 HD2 LYS A 33 0.442 -9.701 -6.856 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -0.116 -9.819 -8.514 1.00 1.71 H new ATOM 0 HE2 LYS A 33 1.749 -8.347 -9.288 1.00 2.26 H new ATOM 0 HE3 LYS A 33 2.270 -8.091 -7.634 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 3.572 -9.822 -8.705 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 2.674 -10.477 -7.421 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 2.169 -10.725 -9.023 1.00 2.62 H new ATOM 541 N GLU A 34 -4.719 -7.597 -8.294 1.00 0.63 N ATOM 542 CA GLU A 34 -6.009 -8.016 -7.844 1.00 0.67 C ATOM 543 C GLU A 34 -7.121 -7.542 -8.715 1.00 0.69 C ATOM 544 O GLU A 34 -7.895 -8.331 -9.256 1.00 0.95 O ATOM 545 CB GLU A 34 -6.186 -7.537 -6.392 1.00 0.73 C ATOM 546 CG GLU A 34 -5.030 -7.836 -5.436 1.00 0.83 C ATOM 547 CD GLU A 34 -4.995 -9.321 -5.103 1.00 0.95 C ATOM 548 OE1 GLU A 34 -6.030 -9.882 -4.654 1.00 1.37 O ATOM 549 OE2 GLU A 34 -4.029 -10.005 -5.535 1.00 1.48 O ATOM 0 H GLU A 34 -4.495 -6.659 -7.962 1.00 0.63 H new ATOM 0 HA GLU A 34 -6.058 -9.104 -7.896 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -6.350 -6.460 -6.404 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -7.090 -7.993 -5.989 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -4.086 -7.535 -5.890 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -5.144 -7.253 -4.522 1.00 0.83 H new ATOM 556 N GLY A 35 -7.222 -6.228 -8.988 1.00 0.63 N ATOM 557 CA GLY A 35 -8.253 -5.659 -9.799 1.00 0.68 C ATOM 558 C GLY A 35 -8.413 -4.245 -9.358 1.00 0.76 C ATOM 559 O GLY A 35 -8.629 -3.336 -10.158 1.00 1.12 O ATOM 0 H GLY A 35 -6.562 -5.537 -8.631 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -7.986 -5.707 -10.855 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -9.186 -6.209 -9.681 1.00 0.68 H new ATOM 563 N ILE A 36 -8.418 -4.027 -8.031 1.00 0.70 N ATOM 564 CA ILE A 36 -8.724 -2.797 -7.369 1.00 0.76 C ATOM 565 C ILE A 36 -8.267 -1.463 -7.850 1.00 0.71 C ATOM 566 O ILE A 36 -7.042 -1.351 -7.863 1.00 0.73 O ATOM 567 CB ILE A 36 -8.409 -2.826 -5.903 1.00 0.88 C ATOM 568 CG1 ILE A 36 -8.816 -4.192 -5.324 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.238 -1.790 -5.125 1.00 1.55 C ATOM 570 CD1 ILE A 36 -8.288 -4.452 -3.914 1.00 1.16 C ATOM 0 H ILE A 36 -8.190 -4.770 -7.370 1.00 0.70 H new ATOM 0 HA ILE A 36 -9.778 -2.820 -7.646 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.343 -2.621 -5.803 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -9.904 -4.260 -5.312 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -8.455 -4.978 -5.987 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -8.983 -1.840 -4.067 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -9.020 -0.791 -5.504 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.299 -2.003 -5.253 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -8.618 -5.435 -3.577 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -7.199 -4.418 -3.921 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -8.670 -3.689 -3.236 1.00 1.16 H new ATOM 582 N PRO A 37 -8.962 -0.454 -8.285 1.00 0.75 N ATOM 583 CA PRO A 37 -8.420 0.756 -8.834 1.00 0.79 C ATOM 584 C PRO A 37 -7.757 1.516 -7.737 1.00 0.75 C ATOM 585 O PRO A 37 -8.203 1.439 -6.593 1.00 0.75 O ATOM 586 CB PRO A 37 -9.646 1.542 -9.291 1.00 0.95 C ATOM 587 CG PRO A 37 -10.901 0.831 -8.757 1.00 1.02 C ATOM 588 CD PRO A 37 -10.403 -0.585 -8.424 1.00 0.85 C ATOM 0 HA PRO A 37 -7.701 0.579 -9.634 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -9.602 2.565 -8.918 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -9.676 1.600 -10.379 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -11.301 1.332 -7.876 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -11.697 0.811 -9.501 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -10.856 -0.957 -7.505 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -10.661 -1.290 -9.214 1.00 0.85 H new ATOM 596 N PRO A 38 -6.837 2.396 -7.998 1.00 0.81 N ATOM 597 CA PRO A 38 -6.226 3.185 -6.967 1.00 0.85 C ATOM 598 C PRO A 38 -7.090 4.159 -6.242 1.00 0.89 C ATOM 599 O PRO A 38 -6.808 4.565 -5.115 1.00 0.99 O ATOM 600 CB PRO A 38 -5.096 3.935 -7.669 1.00 1.01 C ATOM 601 CG PRO A 38 -4.593 2.950 -8.736 1.00 1.25 C ATOM 602 CD PRO A 38 -5.889 2.199 -9.083 1.00 0.98 C ATOM 0 HA PRO A 38 -5.921 2.503 -6.174 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -5.453 4.861 -8.119 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -4.303 4.204 -6.971 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -4.169 3.461 -9.601 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -3.822 2.283 -8.350 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -6.303 2.570 -10.021 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -5.687 1.137 -9.222 1.00 0.98 H new ATOM 610 N ASP A 39 -8.208 4.637 -6.815 1.00 0.96 N ATOM 611 CA ASP A 39 -9.154 5.490 -6.165 1.00 1.11 C ATOM 612 C ASP A 39 -9.906 4.955 -4.995 1.00 1.00 C ATOM 613 O ASP A 39 -10.620 5.679 -4.303 1.00 1.14 O ATOM 614 CB ASP A 39 -10.269 5.995 -7.096 1.00 1.39 C ATOM 615 CG ASP A 39 -9.632 6.569 -8.354 1.00 1.73 C ATOM 616 OD1 ASP A 39 -9.098 7.711 -8.327 1.00 2.23 O ATOM 617 OD2 ASP A 39 -9.650 5.865 -9.398 1.00 2.25 O ATOM 0 H ASP A 39 -8.465 4.418 -7.778 1.00 0.96 H new ATOM 0 HA ASP A 39 -8.458 6.258 -5.828 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -10.945 5.179 -7.353 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -10.865 6.756 -6.593 1.00 1.39 H new ATOM 622 N GLN A 40 -9.849 3.627 -4.786 1.00 0.87 N ATOM 623 CA GLN A 40 -10.536 2.953 -3.729 1.00 0.84 C ATOM 624 C GLN A 40 -9.593 2.745 -2.593 1.00 0.67 C ATOM 625 O GLN A 40 -10.037 2.514 -1.470 1.00 0.80 O ATOM 626 CB GLN A 40 -11.055 1.582 -4.193 1.00 0.95 C ATOM 627 CG GLN A 40 -12.222 1.024 -3.375 1.00 1.32 C ATOM 628 CD GLN A 40 -12.703 -0.308 -3.935 1.00 1.48 C ATOM 629 OE1 GLN A 40 -12.446 -0.733 -5.060 1.00 1.70 O ATOM 630 NE2 GLN A 40 -13.336 -1.117 -3.043 1.00 2.02 N ATOM 0 H GLN A 40 -9.303 2.999 -5.376 1.00 0.87 H new ATOM 0 HA GLN A 40 -11.384 3.565 -3.423 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -11.366 1.661 -5.235 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -10.232 0.868 -4.159 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -11.913 0.895 -2.338 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -13.044 1.739 -3.376 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -13.553 -0.773 -2.108 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -13.593 -2.067 -3.310 1.00 2.02 H new ATOM 639 N GLN A 41 -8.269 2.748 -2.830 1.00 0.56 N ATOM 640 CA GLN A 41 -7.303 2.320 -1.867 1.00 0.51 C ATOM 641 C GLN A 41 -6.732 3.328 -0.930 1.00 0.49 C ATOM 642 O GLN A 41 -6.288 4.395 -1.350 1.00 0.65 O ATOM 643 CB GLN A 41 -6.085 1.778 -2.636 1.00 0.67 C ATOM 644 CG GLN A 41 -6.554 0.641 -3.547 1.00 0.69 C ATOM 645 CD GLN A 41 -5.304 0.092 -4.221 1.00 0.56 C ATOM 646 OE1 GLN A 41 -4.203 -0.075 -3.699 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.564 -0.254 -5.511 1.00 0.61 N ATOM 0 H GLN A 41 -7.860 3.055 -3.713 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.866 1.617 -1.253 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.626 2.571 -3.226 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.327 1.418 -1.940 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -7.059 -0.135 -2.972 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.267 1.004 -4.287 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.492 -0.098 -5.904 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.831 -0.670 -6.085 1.00 0.61 H new ATOM 656 N ARG A 42 -6.629 2.952 0.357 1.00 0.47 N ATOM 657 CA ARG A 42 -5.893 3.789 1.253 1.00 0.55 C ATOM 658 C ARG A 42 -4.880 2.896 1.884 1.00 0.46 C ATOM 659 O ARG A 42 -5.253 1.965 2.597 1.00 0.52 O ATOM 660 CB ARG A 42 -6.804 4.389 2.336 1.00 0.73 C ATOM 661 CG ARG A 42 -6.000 5.435 3.111 1.00 1.04 C ATOM 662 CD ARG A 42 -6.874 6.189 4.113 1.00 1.28 C ATOM 663 NE ARG A 42 -6.331 7.558 4.346 1.00 1.69 N ATOM 664 CZ ARG A 42 -7.068 8.454 5.065 1.00 2.19 C ATOM 665 NH1 ARG A 42 -7.940 7.999 6.012 1.00 2.34 N ATOM 666 NH2 ARG A 42 -6.801 9.782 4.896 1.00 2.78 N ATOM 0 H ARG A 42 -7.034 2.109 0.764 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.441 4.628 0.723 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -7.684 4.845 1.883 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -7.160 3.609 3.008 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -5.180 4.947 3.638 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -5.554 6.143 2.412 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -7.895 6.255 3.738 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -6.915 5.641 5.055 1.00 1.28 H new ATOM 0 HE ARG A 42 -5.419 7.822 3.972 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -8.036 6.997 6.177 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -8.495 8.661 6.554 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -6.070 10.077 4.248 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -7.332 10.479 5.417 1.00 2.78 H new ATOM 680 N LEU A 43 -3.577 3.166 1.695 1.00 0.46 N ATOM 681 CA LEU A 43 -2.512 2.413 2.281 1.00 0.42 C ATOM 682 C LEU A 43 -2.008 3.059 3.525 1.00 0.43 C ATOM 683 O LEU A 43 -1.663 4.239 3.475 1.00 0.55 O ATOM 684 CB LEU A 43 -1.266 2.179 1.410 1.00 0.55 C ATOM 685 CG LEU A 43 -1.499 1.155 0.286 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.396 1.281 -0.779 1.00 1.17 C ATOM 687 CD2 LEU A 43 -1.577 -0.258 0.890 1.00 1.12 C ATOM 0 H LEU A 43 -3.252 3.938 1.112 1.00 0.46 H new ATOM 0 HA LEU A 43 -2.993 1.450 2.449 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -0.954 3.127 0.971 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.447 1.835 2.042 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.447 1.353 -0.214 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -0.570 0.552 -1.571 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -0.411 2.286 -1.201 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.575 1.095 -0.321 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -1.742 -0.985 0.095 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -0.643 -0.487 1.402 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -2.402 -0.305 1.601 1.00 1.12 H new ATOM 699 N ILE A 44 -2.027 2.362 4.675 1.00 0.42 N ATOM 700 CA ILE A 44 -1.652 2.800 5.984 1.00 0.46 C ATOM 701 C ILE A 44 -0.338 2.141 6.227 1.00 0.42 C ATOM 702 O ILE A 44 -0.147 1.001 5.808 1.00 0.53 O ATOM 703 CB ILE A 44 -2.625 2.466 7.076 1.00 0.58 C ATOM 704 CG1 ILE A 44 -4.059 2.821 6.645 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.130 3.200 8.333 1.00 1.38 C ATOM 706 CD1 ILE A 44 -4.232 4.310 6.350 1.00 1.27 C ATOM 0 H ILE A 44 -2.338 1.391 4.686 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.620 3.889 6.011 1.00 0.46 H new ATOM 0 HB ILE A 44 -2.669 1.399 7.294 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -4.320 2.246 5.757 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -4.754 2.527 7.431 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -2.804 2.992 9.164 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.127 2.856 8.584 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.108 4.273 8.143 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -5.262 4.504 6.051 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -3.999 4.888 7.245 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -3.559 4.602 5.544 1.00 1.27 H new ATOM 718 N PHE A 45 0.689 2.734 6.864 1.00 0.42 N ATOM 719 CA PHE A 45 1.846 2.022 7.309 1.00 0.46 C ATOM 720 C PHE A 45 2.152 2.640 8.629 1.00 0.68 C ATOM 721 O PHE A 45 2.243 3.861 8.742 1.00 1.50 O ATOM 722 CB PHE A 45 3.044 2.334 6.397 1.00 0.56 C ATOM 723 CG PHE A 45 4.353 1.759 6.816 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.472 0.400 6.987 1.00 1.08 C ATOM 725 CD2 PHE A 45 5.410 2.598 7.080 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.684 -0.136 7.355 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.614 2.030 7.424 1.00 1.33 C ATOM 728 CZ PHE A 45 6.764 0.677 7.609 1.00 1.02 C ATOM 0 H PHE A 45 0.715 3.732 7.074 1.00 0.42 H new ATOM 0 HA PHE A 45 1.677 0.945 7.326 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.815 1.972 5.394 1.00 0.56 H new ATOM 0 HB3 PHE A 45 3.151 3.417 6.329 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.618 -0.243 6.833 1.00 1.08 H new ATOM 0 HD2 PHE A 45 5.298 3.670 7.019 1.00 1.19 H new ATOM 0 HE1 PHE A 45 5.789 -1.207 7.446 1.00 1.20 H new ATOM 0 HE2 PHE A 45 7.473 2.671 7.554 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.704 0.263 7.944 1.00 1.02 H new ATOM 738 N ALA A 46 2.406 1.853 9.690 1.00 0.81 N ATOM 739 CA ALA A 46 2.824 2.356 10.961 1.00 0.96 C ATOM 740 C ALA A 46 2.022 3.370 11.702 1.00 0.97 C ATOM 741 O ALA A 46 2.341 4.294 12.449 1.00 1.21 O ATOM 742 CB ALA A 46 4.346 2.577 10.988 1.00 1.20 C ATOM 0 H ALA A 46 2.318 0.837 9.662 1.00 0.81 H new ATOM 0 HA ALA A 46 2.546 1.530 11.616 1.00 0.96 H new ATOM 0 HB1 ALA A 46 4.641 2.960 11.965 1.00 1.20 H new ATOM 0 HB2 ALA A 46 4.854 1.631 10.801 1.00 1.20 H new ATOM 0 HB3 ALA A 46 4.623 3.297 10.218 1.00 1.20 H new ATOM 748 N GLY A 47 0.721 3.164 11.432 1.00 0.99 N ATOM 749 CA GLY A 47 -0.415 3.878 11.927 1.00 1.10 C ATOM 750 C GLY A 47 -0.643 5.098 11.102 1.00 1.03 C ATOM 751 O GLY A 47 -1.699 5.709 11.258 1.00 1.30 O ATOM 0 H GLY A 47 0.438 2.416 10.799 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -1.298 3.239 11.900 1.00 1.10 H new ATOM 0 HA3 GLY A 47 -0.255 4.157 12.969 1.00 1.10 H new ATOM 755 N LYS A 48 0.318 5.550 10.276 1.00 0.98 N ATOM 756 CA LYS A 48 0.302 6.711 9.441 1.00 1.05 C ATOM 757 C LYS A 48 -0.279 6.554 8.078 1.00 0.84 C ATOM 758 O LYS A 48 0.103 5.732 7.245 1.00 0.81 O ATOM 759 CB LYS A 48 1.716 7.255 9.179 1.00 1.42 C ATOM 760 CG LYS A 48 1.802 8.685 8.641 1.00 1.61 C ATOM 761 CD LYS A 48 3.211 9.091 8.202 1.00 1.87 C ATOM 762 CE LYS A 48 4.062 9.572 9.379 1.00 2.22 C ATOM 763 NZ LYS A 48 3.473 10.809 9.941 1.00 2.55 N ATOM 0 H LYS A 48 1.200 5.045 10.186 1.00 0.98 H new ATOM 0 HA LYS A 48 -0.333 7.373 10.030 1.00 1.05 H new ATOM 0 HB2 LYS A 48 2.280 7.205 10.110 1.00 1.42 H new ATOM 0 HB3 LYS A 48 2.212 6.592 8.470 1.00 1.42 H new ATOM 0 HG2 LYS A 48 1.123 8.787 7.794 1.00 1.61 H new ATOM 0 HG3 LYS A 48 1.457 9.375 9.411 1.00 1.61 H new ATOM 0 HD2 LYS A 48 3.700 8.242 7.724 1.00 1.87 H new ATOM 0 HD3 LYS A 48 3.144 9.883 7.456 1.00 1.87 H new ATOM 0 HE2 LYS A 48 4.111 8.799 10.146 1.00 2.22 H new ATOM 0 HE3 LYS A 48 5.084 9.760 9.050 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 4.225 11.392 10.360 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 3.001 11.344 9.184 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 2.778 10.561 10.674 1.00 2.55 H new ATOM 777 N GLN A 49 -1.207 7.463 7.730 1.00 0.84 N ATOM 778 CA GLN A 49 -1.837 7.656 6.462 1.00 0.80 C ATOM 779 C GLN A 49 -0.931 8.299 5.469 1.00 0.72 C ATOM 780 O GLN A 49 -0.536 9.455 5.613 1.00 0.83 O ATOM 781 CB GLN A 49 -3.000 8.637 6.693 1.00 1.03 C ATOM 782 CG GLN A 49 -4.050 8.244 7.734 1.00 1.67 C ATOM 783 CD GLN A 49 -5.242 9.181 7.869 1.00 1.92 C ATOM 784 OE1 GLN A 49 -5.163 10.351 7.496 1.00 2.24 O ATOM 785 NE2 GLN A 49 -6.306 8.738 8.592 1.00 2.48 N ATOM 0 H GLN A 49 -1.551 8.135 8.416 1.00 0.84 H new ATOM 0 HA GLN A 49 -2.142 6.684 6.076 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -2.578 9.598 6.985 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.508 8.788 5.741 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -4.422 7.249 7.488 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -3.560 8.170 8.705 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -6.350 7.764 8.890 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -7.060 9.380 8.836 1.00 2.48 H new ATOM 794 N LEU A 50 -0.609 7.531 4.413 1.00 0.69 N ATOM 795 CA LEU A 50 0.341 7.938 3.425 1.00 0.66 C ATOM 796 C LEU A 50 -0.192 8.777 2.316 1.00 0.72 C ATOM 797 O LEU A 50 -1.318 8.608 1.851 1.00 0.90 O ATOM 798 CB LEU A 50 1.190 6.781 2.869 1.00 0.65 C ATOM 799 CG LEU A 50 1.546 5.787 3.986 1.00 0.64 C ATOM 800 CD1 LEU A 50 2.398 4.721 3.276 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.367 6.420 5.122 1.00 0.74 C ATOM 0 H LEU A 50 -1.015 6.611 4.242 1.00 0.69 H new ATOM 0 HA LEU A 50 0.994 8.594 4.001 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.642 6.268 2.079 1.00 0.65 H new ATOM 0 HB3 LEU A 50 2.102 7.175 2.421 1.00 0.65 H new ATOM 0 HG LEU A 50 0.643 5.402 4.460 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.703 3.961 3.995 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.812 4.256 2.483 1.00 0.77 H new ATOM 0 HD13 LEU A 50 3.283 5.190 2.846 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.585 5.665 5.878 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.302 6.812 4.721 1.00 0.74 H new ATOM 0 HD23 LEU A 50 1.797 7.232 5.574 1.00 0.74 H new ATOM 813 N GLU A 51 0.653 9.689 1.800 1.00 0.70 N ATOM 814 CA GLU A 51 0.278 10.561 0.732 1.00 0.76 C ATOM 815 C GLU A 51 0.679 9.932 -0.558 1.00 0.77 C ATOM 816 O GLU A 51 1.717 9.274 -0.602 1.00 1.23 O ATOM 817 CB GLU A 51 0.907 11.951 0.927 1.00 0.88 C ATOM 818 CG GLU A 51 0.681 13.116 -0.040 1.00 1.35 C ATOM 819 CD GLU A 51 -0.799 13.469 -0.008 1.00 1.46 C ATOM 820 OE1 GLU A 51 -1.332 13.626 1.122 1.00 1.94 O ATOM 821 OE2 GLU A 51 -1.434 13.494 -1.096 1.00 1.89 O ATOM 0 H GLU A 51 1.609 9.822 2.129 1.00 0.70 H new ATOM 0 HA GLU A 51 -0.802 10.709 0.722 1.00 0.76 H new ATOM 0 HB2 GLU A 51 0.588 12.299 1.909 1.00 0.88 H new ATOM 0 HB3 GLU A 51 1.985 11.797 0.978 1.00 0.88 H new ATOM 0 HG2 GLU A 51 1.285 13.976 0.250 1.00 1.35 H new ATOM 0 HG3 GLU A 51 0.986 12.839 -1.049 1.00 1.35 H new ATOM 828 N ASP A 52 -0.173 10.001 -1.598 1.00 0.66 N ATOM 829 CA ASP A 52 -0.030 9.191 -2.768 1.00 0.65 C ATOM 830 C ASP A 52 1.193 9.541 -3.544 1.00 0.60 C ATOM 831 O ASP A 52 1.918 8.635 -3.951 1.00 0.62 O ATOM 832 CB ASP A 52 -1.148 9.405 -3.802 1.00 0.81 C ATOM 833 CG ASP A 52 -2.537 9.217 -3.208 1.00 0.95 C ATOM 834 OD1 ASP A 52 -2.949 8.034 -3.068 1.00 1.44 O ATOM 835 OD2 ASP A 52 -3.150 10.246 -2.819 1.00 1.56 O ATOM 0 H ASP A 52 -0.975 10.631 -1.626 1.00 0.66 H new ATOM 0 HA ASP A 52 -0.023 8.179 -2.364 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.067 10.410 -4.217 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -1.012 8.707 -4.628 1.00 0.81 H new ATOM 840 N GLY A 53 1.451 10.856 -3.659 1.00 0.68 N ATOM 841 CA GLY A 53 2.627 11.344 -4.311 1.00 0.73 C ATOM 842 C GLY A 53 3.860 11.537 -3.499 1.00 0.72 C ATOM 843 O GLY A 53 4.523 12.563 -3.647 1.00 0.97 O ATOM 0 H GLY A 53 0.839 11.587 -3.297 1.00 0.68 H new ATOM 0 HA2 GLY A 53 2.868 10.655 -5.121 1.00 0.73 H new ATOM 0 HA3 GLY A 53 2.379 12.301 -4.770 1.00 0.73 H new ATOM 847 N ARG A 54 4.269 10.563 -2.665 1.00 0.64 N ATOM 848 CA ARG A 54 5.502 10.499 -1.944 1.00 0.63 C ATOM 849 C ARG A 54 5.935 9.092 -2.179 1.00 0.59 C ATOM 850 O ARG A 54 5.109 8.310 -2.648 1.00 0.62 O ATOM 851 CB ARG A 54 5.306 10.752 -0.440 1.00 0.69 C ATOM 852 CG ARG A 54 4.731 12.161 -0.282 1.00 0.82 C ATOM 853 CD ARG A 54 4.716 12.687 1.155 1.00 1.18 C ATOM 854 NE ARG A 54 6.150 13.017 1.387 1.00 1.50 N ATOM 855 CZ ARG A 54 6.846 12.771 2.535 1.00 2.00 C ATOM 856 NH1 ARG A 54 6.177 12.516 3.697 1.00 2.48 N ATOM 857 NH2 ARG A 54 8.205 12.851 2.430 1.00 2.49 N ATOM 0 H ARG A 54 3.682 9.749 -2.481 1.00 0.64 H new ATOM 0 HA ARG A 54 6.220 11.253 -2.268 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.630 10.012 -0.012 1.00 0.69 H new ATOM 0 HB3 ARG A 54 6.254 10.663 0.091 1.00 0.69 H new ATOM 0 HG2 ARG A 54 5.311 12.847 -0.900 1.00 0.82 H new ATOM 0 HG3 ARG A 54 3.712 12.168 -0.668 1.00 0.82 H new ATOM 0 HD2 ARG A 54 4.075 13.562 1.261 1.00 1.18 H new ATOM 0 HD3 ARG A 54 4.352 11.938 1.858 1.00 1.18 H new ATOM 0 HE ARG A 54 6.655 13.465 0.622 1.00 1.50 H new ATOM 0 HH11 ARG A 54 5.157 12.509 3.707 1.00 2.48 H new ATOM 0 HH12 ARG A 54 6.697 12.332 4.555 1.00 2.48 H new ATOM 0 HH21 ARG A 54 8.635 13.082 1.534 1.00 2.49 H new ATOM 0 HH22 ARG A 54 8.791 12.680 3.247 1.00 2.49 H new ATOM 871 N THR A 55 7.154 8.677 -1.795 1.00 0.63 N ATOM 872 CA THR A 55 7.624 7.338 -1.967 1.00 0.61 C ATOM 873 C THR A 55 7.867 6.547 -0.728 1.00 0.59 C ATOM 874 O THR A 55 7.753 6.973 0.421 1.00 0.64 O ATOM 875 CB THR A 55 8.929 7.373 -2.708 1.00 0.68 C ATOM 876 OG1 THR A 55 10.008 7.829 -1.906 1.00 0.75 O ATOM 877 CG2 THR A 55 8.852 8.270 -3.955 1.00 0.76 C ATOM 0 H THR A 55 7.835 9.293 -1.350 1.00 0.63 H new ATOM 0 HA THR A 55 6.811 6.842 -2.497 1.00 0.61 H new ATOM 0 HB THR A 55 9.116 6.339 -2.999 1.00 0.68 H new ATOM 0 HG1 THR A 55 10.832 7.831 -2.436 1.00 0.75 H new ATOM 0 HG21 THR A 55 9.816 8.269 -4.464 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.085 7.890 -4.630 1.00 0.76 H new ATOM 0 HG23 THR A 55 8.600 9.288 -3.656 1.00 0.76 H new ATOM 885 N LEU A 56 8.266 5.273 -0.886 1.00 0.58 N ATOM 886 CA LEU A 56 8.691 4.283 0.055 1.00 0.59 C ATOM 887 C LEU A 56 9.987 4.706 0.655 1.00 0.64 C ATOM 888 O LEU A 56 10.222 4.631 1.859 1.00 0.70 O ATOM 889 CB LEU A 56 8.782 2.964 -0.731 1.00 0.60 C ATOM 890 CG LEU A 56 7.456 2.509 -1.363 1.00 0.63 C ATOM 891 CD1 LEU A 56 7.655 1.277 -2.260 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.498 2.028 -0.260 1.00 1.03 C ATOM 0 H LEU A 56 8.292 4.882 -1.828 1.00 0.58 H new ATOM 0 HA LEU A 56 8.002 4.154 0.890 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.527 3.075 -1.519 1.00 0.60 H new ATOM 0 HB3 LEU A 56 9.140 2.181 -0.063 1.00 0.60 H new ATOM 0 HG LEU A 56 7.073 3.359 -1.928 1.00 0.63 H new ATOM 0 HD11 LEU A 56 6.698 0.982 -2.691 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.354 1.519 -3.061 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.054 0.455 -1.666 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.559 1.706 -0.709 1.00 1.03 H new ATOM 0 HD22 LEU A 56 6.950 1.193 0.275 1.00 1.03 H new ATOM 0 HD23 LEU A 56 6.306 2.844 0.437 1.00 1.03 H new ATOM 904 N SER A 57 10.957 5.240 -0.109 1.00 0.68 N ATOM 905 CA SER A 57 12.210 5.817 0.270 1.00 0.75 C ATOM 906 C SER A 57 12.027 6.984 1.179 1.00 0.76 C ATOM 907 O SER A 57 12.810 7.182 2.108 1.00 0.84 O ATOM 908 CB SER A 57 13.123 6.150 -0.921 1.00 0.84 C ATOM 909 OG SER A 57 14.495 6.305 -0.587 1.00 1.19 O ATOM 0 H SER A 57 10.843 5.269 -1.122 1.00 0.68 H new ATOM 0 HA SER A 57 12.736 5.042 0.828 1.00 0.75 H new ATOM 0 HB2 SER A 57 13.031 5.359 -1.665 1.00 0.84 H new ATOM 0 HB3 SER A 57 12.770 7.070 -1.387 1.00 0.84 H new ATOM 0 HG SER A 57 15.007 6.513 -1.396 1.00 1.19 H new ATOM 915 N ASP A 58 10.912 7.698 0.945 1.00 0.75 N ATOM 916 CA ASP A 58 10.595 8.843 1.741 1.00 0.78 C ATOM 917 C ASP A 58 9.947 8.570 3.054 1.00 0.77 C ATOM 918 O ASP A 58 10.265 9.260 4.022 1.00 0.86 O ATOM 919 CB ASP A 58 9.490 9.689 1.086 1.00 0.83 C ATOM 920 CG ASP A 58 9.998 10.433 -0.140 1.00 1.23 C ATOM 921 OD1 ASP A 58 11.047 11.131 -0.078 1.00 1.90 O ATOM 922 OD2 ASP A 58 9.274 10.432 -1.171 1.00 1.86 O ATOM 0 H ASP A 58 10.235 7.486 0.212 1.00 0.75 H new ATOM 0 HA ASP A 58 11.578 9.301 1.848 1.00 0.78 H new ATOM 0 HB2 ASP A 58 8.659 9.043 0.801 1.00 0.83 H new ATOM 0 HB3 ASP A 58 9.103 10.405 1.811 1.00 0.83 H new ATOM 927 N TYR A 59 9.021 7.596 3.085 1.00 0.72 N ATOM 928 CA TYR A 59 8.431 7.260 4.344 1.00 0.73 C ATOM 929 C TYR A 59 9.209 6.299 5.176 1.00 0.76 C ATOM 930 O TYR A 59 8.801 5.975 6.290 1.00 0.89 O ATOM 931 CB TYR A 59 7.059 6.641 4.024 1.00 0.73 C ATOM 932 CG TYR A 59 6.105 7.765 3.808 1.00 0.67 C ATOM 933 CD1 TYR A 59 5.791 8.659 4.804 1.00 0.74 C ATOM 934 CD2 TYR A 59 5.330 7.888 2.678 1.00 0.67 C ATOM 935 CE1 TYR A 59 4.788 9.595 4.713 1.00 0.77 C ATOM 936 CE2 TYR A 59 4.286 8.772 2.548 1.00 0.70 C ATOM 937 CZ TYR A 59 3.976 9.596 3.604 1.00 0.74 C ATOM 938 OH TYR A 59 2.795 10.363 3.510 1.00 0.86 O ATOM 0 H TYR A 59 8.692 7.062 2.280 1.00 0.72 H new ATOM 0 HA TYR A 59 8.383 8.172 4.939 1.00 0.73 H new ATOM 0 HB2 TYR A 59 7.119 6.012 3.136 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.724 6.005 4.843 1.00 0.73 H new ATOM 0 HD1 TYR A 59 6.369 8.624 5.716 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.557 7.248 1.838 1.00 0.67 H new ATOM 0 HE1 TYR A 59 4.640 10.319 5.501 1.00 0.77 H new ATOM 0 HE2 TYR A 59 3.718 8.819 1.631 1.00 0.70 H new ATOM 0 HH TYR A 59 3.013 11.313 3.608 1.00 0.86 H new ATOM 948 N ASN A 60 10.326 5.808 4.610 1.00 0.74 N ATOM 949 CA ASN A 60 11.237 4.845 5.147 1.00 0.79 C ATOM 950 C ASN A 60 10.719 3.448 5.141 1.00 0.75 C ATOM 951 O ASN A 60 10.891 2.651 6.062 1.00 0.86 O ATOM 952 CB ASN A 60 11.782 5.302 6.511 1.00 0.95 C ATOM 953 CG ASN A 60 12.427 6.680 6.476 1.00 1.25 C ATOM 954 OD1 ASN A 60 13.493 6.827 5.881 1.00 1.84 O ATOM 955 ND2 ASN A 60 11.803 7.675 7.162 1.00 1.83 N ATOM 0 H ASN A 60 10.618 6.118 3.683 1.00 0.74 H new ATOM 0 HA ASN A 60 12.086 4.801 4.464 1.00 0.79 H new ATOM 0 HB2 ASN A 60 10.967 5.309 7.235 1.00 0.95 H new ATOM 0 HB3 ASN A 60 12.515 4.575 6.863 1.00 0.95 H new ATOM 0 HD21 ASN A 60 12.219 8.605 7.202 1.00 1.83 H new ATOM 0 HD22 ASN A 60 10.919 7.491 7.636 1.00 1.83 H new ATOM 962 N ILE A 61 9.958 3.005 4.124 1.00 0.67 N ATOM 963 CA ILE A 61 9.397 1.699 3.976 1.00 0.65 C ATOM 964 C ILE A 61 10.421 0.870 3.279 1.00 0.66 C ATOM 965 O ILE A 61 10.876 1.141 2.169 1.00 0.75 O ATOM 966 CB ILE A 61 8.062 1.763 3.296 1.00 0.63 C ATOM 967 CG1 ILE A 61 7.213 2.923 3.844 1.00 0.70 C ATOM 968 CG2 ILE A 61 7.330 0.410 3.296 1.00 0.72 C ATOM 969 CD1 ILE A 61 5.917 3.260 3.110 1.00 0.82 C ATOM 0 H ILE A 61 9.716 3.613 3.341 1.00 0.67 H new ATOM 0 HA ILE A 61 9.175 1.230 4.934 1.00 0.65 H new ATOM 0 HB ILE A 61 8.241 1.982 2.243 1.00 0.63 H new ATOM 0 HG12 ILE A 61 6.963 2.696 4.880 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.835 3.818 3.855 1.00 0.70 H new ATOM 0 HG21 ILE A 61 6.370 0.516 2.791 1.00 0.72 H new ATOM 0 HG22 ILE A 61 7.935 -0.331 2.774 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.166 0.085 4.323 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.424 4.096 3.607 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.143 3.532 2.079 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.257 2.392 3.120 1.00 0.82 H new ATOM 981 N GLN A 62 10.885 -0.192 3.961 1.00 0.67 N ATOM 982 CA GLN A 62 11.996 -0.973 3.514 1.00 0.70 C ATOM 983 C GLN A 62 11.673 -2.383 3.160 1.00 0.62 C ATOM 984 O GLN A 62 10.494 -2.701 3.020 1.00 0.64 O ATOM 985 CB GLN A 62 13.179 -0.855 4.491 1.00 0.85 C ATOM 986 CG GLN A 62 13.939 0.464 4.341 1.00 1.27 C ATOM 987 CD GLN A 62 15.238 0.471 5.134 1.00 1.57 C ATOM 988 OE1 GLN A 62 16.352 0.598 4.627 1.00 2.08 O ATOM 989 NE2 GLN A 62 15.224 0.309 6.484 1.00 2.16 N ATOM 0 H GLN A 62 10.481 -0.515 4.840 1.00 0.67 H new ATOM 0 HA GLN A 62 12.298 -0.538 2.561 1.00 0.70 H new ATOM 0 HB2 GLN A 62 12.811 -0.943 5.513 1.00 0.85 H new ATOM 0 HB3 GLN A 62 13.865 -1.686 4.326 1.00 0.85 H new ATOM 0 HG2 GLN A 62 14.157 0.638 3.287 1.00 1.27 H new ATOM 0 HG3 GLN A 62 13.306 1.286 4.675 1.00 1.27 H new ATOM 0 HE21 GLN A 62 14.337 0.197 6.975 1.00 2.16 H new ATOM 0 HE22 GLN A 62 16.101 0.299 7.006 1.00 2.16 H new ATOM 998 N LYS A 63 12.707 -3.236 3.038 1.00 0.64 N ATOM 999 CA LYS A 63 12.431 -4.619 2.808 1.00 0.62 C ATOM 1000 C LYS A 63 11.587 -5.333 3.808 1.00 0.59 C ATOM 1001 O LYS A 63 11.861 -5.292 5.006 1.00 0.66 O ATOM 1002 CB LYS A 63 13.729 -5.427 2.640 1.00 0.74 C ATOM 1003 CG LYS A 63 14.788 -5.476 3.743 1.00 0.89 C ATOM 1004 CD LYS A 63 16.067 -6.164 3.265 1.00 1.11 C ATOM 1005 CE LYS A 63 15.810 -7.598 2.799 1.00 1.47 C ATOM 1006 NZ LYS A 63 15.671 -8.483 3.978 1.00 2.12 N ATOM 0 H LYS A 63 13.693 -2.983 3.095 1.00 0.64 H new ATOM 0 HA LYS A 63 11.836 -4.573 1.896 1.00 0.62 H new ATOM 0 HB2 LYS A 63 13.437 -6.457 2.435 1.00 0.74 H new ATOM 0 HB3 LYS A 63 14.222 -5.051 1.744 1.00 0.74 H new ATOM 0 HG2 LYS A 63 15.020 -4.463 4.071 1.00 0.89 H new ATOM 0 HG3 LYS A 63 14.390 -6.007 4.607 1.00 0.89 H new ATOM 0 HD2 LYS A 63 16.503 -5.590 2.447 1.00 1.11 H new ATOM 0 HD3 LYS A 63 16.798 -6.172 4.074 1.00 1.11 H new ATOM 0 HE2 LYS A 63 14.905 -7.638 2.192 1.00 1.47 H new ATOM 0 HE3 LYS A 63 16.631 -7.940 2.169 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 16.136 -9.393 3.785 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 16.117 -8.034 4.803 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 14.662 -8.644 4.174 1.00 2.12 H new ATOM 1020 N GLU A 64 10.544 -5.976 3.253 1.00 0.57 N ATOM 1021 CA GLU A 64 9.675 -6.851 3.977 1.00 0.58 C ATOM 1022 C GLU A 64 8.801 -6.149 4.957 1.00 0.56 C ATOM 1023 O GLU A 64 8.288 -6.640 5.962 1.00 0.70 O ATOM 1024 CB GLU A 64 10.372 -8.072 4.601 1.00 0.72 C ATOM 1025 CG GLU A 64 11.146 -8.934 3.602 1.00 0.96 C ATOM 1026 CD GLU A 64 12.063 -9.938 4.285 1.00 1.18 C ATOM 1027 OE1 GLU A 64 11.560 -10.908 4.911 1.00 1.69 O ATOM 1028 OE2 GLU A 64 13.282 -9.692 4.075 1.00 1.71 O ATOM 0 H GLU A 64 10.297 -5.884 2.268 1.00 0.57 H new ATOM 0 HA GLU A 64 9.019 -7.252 3.205 1.00 0.58 H new ATOM 0 HB2 GLU A 64 11.059 -7.728 5.374 1.00 0.72 H new ATOM 0 HB3 GLU A 64 9.622 -8.691 5.093 1.00 0.72 H new ATOM 0 HG2 GLU A 64 10.441 -9.467 2.964 1.00 0.96 H new ATOM 0 HG3 GLU A 64 11.738 -8.289 2.953 1.00 0.96 H new ATOM 1035 N SER A 65 8.347 -4.919 4.654 1.00 0.51 N ATOM 1036 CA SER A 65 7.538 -4.036 5.434 1.00 0.51 C ATOM 1037 C SER A 65 6.066 -4.209 5.282 1.00 0.43 C ATOM 1038 O SER A 65 5.511 -4.234 4.184 1.00 0.50 O ATOM 1039 CB SER A 65 7.805 -2.552 5.131 1.00 0.65 C ATOM 1040 OG SER A 65 9.102 -2.052 5.420 1.00 1.04 O ATOM 0 H SER A 65 8.577 -4.498 3.754 1.00 0.51 H new ATOM 0 HA SER A 65 7.835 -4.313 6.446 1.00 0.51 H new ATOM 0 HB2 SER A 65 7.606 -2.383 4.073 1.00 0.65 H new ATOM 0 HB3 SER A 65 7.082 -1.958 5.690 1.00 0.65 H new ATOM 0 HG SER A 65 9.724 -2.329 4.715 1.00 1.04 H new ATOM 1046 N THR A 66 5.373 -4.323 6.429 1.00 0.45 N ATOM 1047 CA THR A 66 3.968 -4.584 6.483 1.00 0.45 C ATOM 1048 C THR A 66 3.026 -3.434 6.381 1.00 0.43 C ATOM 1049 O THR A 66 2.598 -2.804 7.347 1.00 0.58 O ATOM 1050 CB THR A 66 3.607 -5.351 7.720 1.00 0.61 C ATOM 1051 OG1 THR A 66 4.481 -6.453 7.912 1.00 0.79 O ATOM 1052 CG2 THR A 66 2.243 -6.022 7.488 1.00 0.78 C ATOM 0 H THR A 66 5.804 -4.231 7.349 1.00 0.45 H new ATOM 0 HA THR A 66 3.828 -5.151 5.563 1.00 0.45 H new ATOM 0 HB THR A 66 3.637 -4.653 8.557 1.00 0.61 H new ATOM 0 HG1 THR A 66 4.225 -6.935 8.726 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.959 -6.587 8.376 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.491 -5.258 7.288 1.00 0.78 H new ATOM 0 HG23 THR A 66 2.310 -6.697 6.635 1.00 0.78 H new ATOM 1060 N LEU A 67 2.663 -3.101 5.130 1.00 0.38 N ATOM 1061 CA LEU A 67 1.759 -2.039 4.816 1.00 0.38 C ATOM 1062 C LEU A 67 0.382 -2.539 5.089 1.00 0.37 C ATOM 1063 O LEU A 67 0.067 -3.727 5.079 1.00 0.50 O ATOM 1064 CB LEU A 67 1.793 -1.651 3.328 1.00 0.46 C ATOM 1065 CG LEU A 67 2.978 -0.770 2.901 1.00 0.65 C ATOM 1066 CD1 LEU A 67 4.330 -1.481 3.088 1.00 1.40 C ATOM 1067 CD2 LEU A 67 2.791 -0.281 1.454 1.00 1.31 C ATOM 0 H LEU A 67 3.012 -3.590 4.306 1.00 0.38 H new ATOM 0 HA LEU A 67 2.043 -1.170 5.410 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.808 -2.564 2.733 1.00 0.46 H new ATOM 0 HB3 LEU A 67 0.868 -1.128 3.086 1.00 0.46 H new ATOM 0 HG LEU A 67 2.995 0.100 3.557 1.00 0.65 H new ATOM 0 HD11 LEU A 67 5.136 -0.819 2.773 1.00 1.40 H new ATOM 0 HD12 LEU A 67 4.463 -1.740 4.138 1.00 1.40 H new ATOM 0 HD13 LEU A 67 4.350 -2.389 2.485 1.00 1.40 H new ATOM 0 HD21 LEU A 67 3.639 0.341 1.168 1.00 1.31 H new ATOM 0 HD22 LEU A 67 2.729 -1.139 0.785 1.00 1.31 H new ATOM 0 HD23 LEU A 67 1.873 0.302 1.383 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.630 -1.678 5.300 1.00 0.35 N ATOM 1080 CA HIS A 68 -1.994 -2.008 5.577 1.00 0.37 C ATOM 1081 C HIS A 68 -2.893 -1.454 4.528 1.00 0.35 C ATOM 1082 O HIS A 68 -2.745 -0.308 4.103 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.386 -1.434 6.949 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.677 -2.074 8.106 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -0.359 -1.817 8.424 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -2.046 -3.157 8.839 1.00 1.48 C ATOM 1087 CE1 HIS A 68 -0.028 -2.662 9.437 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -1.047 -3.441 9.748 1.00 1.51 N ATOM 0 H HIS A 68 -0.480 -0.669 5.274 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.099 -3.093 5.584 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.178 -0.364 6.956 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.461 -1.551 7.086 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -2.970 -3.706 8.728 1.00 1.48 H new ATOM 0 HE1 HIS A 68 0.937 -2.692 9.921 1.00 1.41 H new ATOM 0 HE2 HIS A 68 -1.088 -4.119 10.509 1.00 1.51 H new ATOM 1096 N LEU A 69 -3.920 -2.234 4.147 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.824 -1.816 3.120 1.00 0.38 C ATOM 1098 C LEU A 69 -6.224 -1.597 3.580 1.00 0.41 C ATOM 1099 O LEU A 69 -6.919 -2.510 4.022 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.789 -2.752 1.901 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.614 -2.364 0.662 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.454 -0.920 0.158 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -5.332 -3.446 -0.394 1.00 1.14 C ATOM 0 H LEU A 69 -4.124 -3.150 4.547 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.454 -0.837 2.817 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.749 -2.855 1.590 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -5.123 -3.737 2.228 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.670 -2.343 0.930 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -6.085 -0.768 -0.718 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -5.751 -0.225 0.944 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.413 -0.741 -0.109 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -5.893 -3.224 -1.302 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -4.266 -3.463 -0.622 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -5.637 -4.419 -0.008 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.672 -0.332 3.676 1.00 0.45 N ATOM 1116 CA VAL A 70 -7.997 0.083 4.018 1.00 0.56 C ATOM 1117 C VAL A 70 -8.666 0.439 2.734 1.00 0.55 C ATOM 1118 O VAL A 70 -8.159 1.276 1.991 1.00 0.58 O ATOM 1119 CB VAL A 70 -7.900 1.238 4.970 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -9.285 1.772 5.374 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.083 0.830 6.208 1.00 0.97 C ATOM 0 H VAL A 70 -6.057 0.463 3.500 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.580 -0.690 4.519 1.00 0.56 H new ATOM 0 HB VAL A 70 -7.387 2.052 4.458 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -9.166 2.607 6.064 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -9.819 2.109 4.485 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -9.853 0.979 5.860 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -7.017 1.674 6.895 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -7.572 -0.007 6.707 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -6.080 0.533 5.901 1.00 0.97 H new ATOM 1131 N LEU A 71 -9.709 -0.314 2.342 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.488 -0.064 1.169 1.00 0.84 C ATOM 1133 C LEU A 71 -11.718 0.680 1.562 1.00 0.85 C ATOM 1134 O LEU A 71 -12.265 0.587 2.661 1.00 1.03 O ATOM 1135 CB LEU A 71 -10.846 -1.377 0.453 1.00 1.26 C ATOM 1136 CG LEU A 71 -9.705 -2.318 0.028 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -10.283 -3.603 -0.586 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -8.647 -1.685 -0.890 1.00 2.78 C ATOM 0 H LEU A 71 -10.023 -1.132 2.865 1.00 0.73 H new ATOM 0 HA LEU A 71 -9.906 0.536 0.469 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -11.513 -1.939 1.106 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -11.415 -1.122 -0.441 1.00 1.26 H new ATOM 0 HG LEU A 71 -9.161 -2.556 0.942 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -9.468 -4.263 -0.884 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -10.909 -4.108 0.150 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -10.883 -3.351 -1.460 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -7.886 -2.427 -1.134 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -9.122 -1.338 -1.807 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -8.181 -0.841 -0.381 1.00 2.78 H new