USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 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 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 66 THR OG1 : rot 180:sc= -0.0644 USER MOD Set 2.1: A 55 THR OG1 : rot 128:sc= 1.37 USER MOD Set 2.2: A 57 SER OG : rot 180:sc= 1.06 USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 1.19 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.0301 USER MOD Single : A 1 MET CE :methyl 177:sc= -0.325 (180deg=-0.365) USER MOD Single : A 1 MET N :NH3+ 165:sc= 1.3 (180deg=1.27) USER MOD Single : A 2 GLN : amide:sc=-0.00763 X(o=-0.0076,f=-0.34) USER MOD Single : A 11 LYS NZ :NH3+ 138:sc= 0.743 (180deg=0.0916) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.031 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -166:sc= 0.992 (180deg=0.341) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 33 LYS NZ :NH3+ -152:sc= -0.0937 (180deg=-0.455) USER MOD Single : A 40 GLN : amide:sc= -0.2 K(o=-0.2,f=-1.1) USER MOD Single : A 41 GLN : amide:sc= -0.0213 K(o=-0.021,f=-2.1) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0155 X(o=-0.015,f=-0.16) USER MOD Single : A 59 TYR OH : rot 144:sc= 0.49 USER MOD Single : A 60 ASN : amide:sc= -0.104 K(o=-0.1,f=-1) USER MOD Single : A 62 GLN : amide:sc= -0.056 X(o=-0.056,f=-0.53) USER MOD Single : A 63 LYS NZ :NH3+ -172:sc= 1.26 (180deg=1.14) USER MOD Single : A 65 SER OG : rot 78:sc= 1.26 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.188 2.880 -3.717 1.00 9.67 N ATOM 2 CA MET A 1 -12.861 2.836 -2.274 1.00 10.38 C ATOM 3 C MET A 1 -11.589 3.551 -1.976 1.00 9.62 C ATOM 4 O MET A 1 -10.474 3.143 -2.300 1.00 9.62 O ATOM 5 CB MET A 1 -12.661 1.383 -1.811 1.00 13.77 C ATOM 6 CG MET A 1 -12.487 1.214 -0.301 1.00 16.29 C ATOM 7 SD MET A 1 -12.274 -0.469 0.353 1.00 17.17 S ATOM 8 CE MET A 1 -10.927 -1.132 -0.669 1.00 16.11 C ATOM 0 H1 MET A 1 -13.922 2.175 -3.928 1.00 9.67 H new ATOM 0 H2 MET A 1 -13.537 3.828 -3.965 1.00 9.67 H new ATOM 0 H3 MET A 1 -12.335 2.668 -4.273 1.00 9.67 H new ATOM 0 HA MET A 1 -13.695 3.311 -1.757 1.00 10.38 H new ATOM 0 HB2 MET A 1 -13.518 0.792 -2.133 1.00 13.77 H new ATOM 0 HB3 MET A 1 -11.784 0.973 -2.313 1.00 13.77 H new ATOM 0 HG2 MET A 1 -11.621 1.802 0.003 1.00 16.29 H new ATOM 0 HG3 MET A 1 -13.357 1.653 0.186 1.00 16.29 H new ATOM 0 HE1 MET A 1 -10.671 -2.135 -0.328 1.00 16.11 H new ATOM 0 HE2 MET A 1 -11.247 -1.173 -1.710 1.00 16.11 H new ATOM 0 HE3 MET A 1 -10.053 -0.486 -0.583 1.00 16.11 H new ATOM 20 N GLN A 2 -11.679 4.739 -1.353 1.00 9.27 N ATOM 21 CA GLN A 2 -10.539 5.541 -1.031 1.00 9.07 C ATOM 22 C GLN A 2 -9.837 4.988 0.161 1.00 8.72 C ATOM 23 O GLN A 2 -10.438 4.908 1.232 1.00 8.22 O ATOM 24 CB GLN A 2 -11.012 6.980 -0.761 1.00 14.46 C ATOM 25 CG GLN A 2 -11.375 7.744 -2.035 1.00 17.01 C ATOM 26 CD GLN A 2 -12.452 8.787 -1.774 1.00 20.10 C ATOM 27 OE1 GLN A 2 -12.659 9.246 -0.652 1.00 21.89 O ATOM 28 NE2 GLN A 2 -13.305 9.083 -2.791 1.00 19.49 N ATOM 0 H GLN A 2 -12.566 5.153 -1.066 1.00 9.27 H new ATOM 0 HA GLN A 2 -9.836 5.537 -1.864 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -11.880 6.953 -0.102 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -10.227 7.520 -0.232 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -10.485 8.231 -2.434 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -11.723 7.043 -2.794 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -13.138 8.705 -3.723 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -14.112 9.683 -2.621 1.00 19.49 H new ATOM 37 N ILE A 3 -8.558 4.599 0.012 1.00 5.87 N ATOM 38 CA ILE A 3 -7.683 4.251 1.088 1.00 5.07 C ATOM 39 C ILE A 3 -6.625 5.297 1.165 1.00 4.01 C ATOM 40 O ILE A 3 -6.303 5.959 0.180 1.00 4.61 O ATOM 41 CB ILE A 3 -7.135 2.856 1.021 1.00 6.55 C ATOM 42 CG1 ILE A 3 -6.508 2.646 -0.368 1.00 4.72 C ATOM 43 CG2 ILE A 3 -8.287 1.862 1.241 1.00 5.58 C ATOM 44 CD1 ILE A 3 -5.624 1.404 -0.475 1.00 10.83 C ATOM 0 H ILE A 3 -8.113 4.524 -0.903 1.00 5.87 H new ATOM 0 HA ILE A 3 -8.258 4.232 2.014 1.00 5.07 H new ATOM 0 HB ILE A 3 -6.377 2.699 1.788 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -7.306 2.575 -1.107 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -5.914 3.524 -0.623 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -7.902 0.843 1.195 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -8.736 2.036 2.219 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -9.040 2.001 0.466 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -5.222 1.330 -1.485 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -4.803 1.479 0.238 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -6.216 0.516 -0.254 1.00 10.83 H new ATOM 56 N PHE A 4 -6.030 5.480 2.357 1.00 4.55 N ATOM 57 CA PHE A 4 -4.932 6.369 2.578 1.00 4.68 C ATOM 58 C PHE A 4 -3.697 5.560 2.778 1.00 5.30 C ATOM 59 O PHE A 4 -3.557 4.616 3.554 1.00 5.58 O ATOM 60 CB PHE A 4 -5.079 7.174 3.880 1.00 4.83 C ATOM 61 CG PHE A 4 -6.367 7.916 3.980 1.00 7.97 C ATOM 62 CD1 PHE A 4 -6.771 8.806 3.013 1.00 8.34 C ATOM 63 CD2 PHE A 4 -7.109 7.816 5.134 1.00 6.69 C ATOM 64 CE1 PHE A 4 -7.887 9.589 3.188 1.00 10.61 C ATOM 65 CE2 PHE A 4 -8.233 8.583 5.331 1.00 9.10 C ATOM 66 CZ PHE A 4 -8.608 9.475 4.354 1.00 8.90 C ATOM 0 H PHE A 4 -6.326 4.989 3.201 1.00 4.55 H new ATOM 0 HA PHE A 4 -4.896 7.037 1.717 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -4.993 6.495 4.729 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -4.254 7.883 3.954 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -6.201 8.891 2.100 1.00 8.34 H new ATOM 0 HD2 PHE A 4 -6.802 7.121 5.901 1.00 6.69 H new ATOM 0 HE1 PHE A 4 -8.194 10.284 2.421 1.00 10.61 H new ATOM 0 HE2 PHE A 4 -8.812 8.487 6.238 1.00 9.10 H new ATOM 0 HZ PHE A 4 -9.480 10.094 4.504 1.00 8.90 H new ATOM 76 N VAL A 5 -2.644 5.995 2.064 1.00 4.44 N ATOM 77 CA VAL A 5 -1.274 5.629 2.248 1.00 3.87 C ATOM 78 C VAL A 5 -0.476 6.775 2.768 1.00 4.93 C ATOM 79 O VAL A 5 -0.399 7.841 2.159 1.00 6.84 O ATOM 80 CB VAL A 5 -0.715 5.185 0.928 1.00 2.99 C ATOM 81 CG1 VAL A 5 0.791 4.895 1.042 1.00 5.28 C ATOM 82 CG2 VAL A 5 -1.404 3.864 0.547 1.00 9.13 C ATOM 0 H VAL A 5 -2.762 6.656 1.296 1.00 4.44 H new ATOM 0 HA VAL A 5 -1.219 4.822 2.978 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.881 5.970 0.190 1.00 2.99 H new ATOM 0 HG11 VAL A 5 1.174 4.575 0.073 1.00 5.28 H new ATOM 0 HG12 VAL A 5 1.313 5.798 1.358 1.00 5.28 H new ATOM 0 HG13 VAL A 5 0.955 4.106 1.776 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -1.018 3.515 -0.411 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -1.204 3.115 1.313 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -2.479 4.024 0.468 1.00 9.13 H new ATOM 92 N LYS A 6 0.100 6.634 3.975 1.00 6.04 N ATOM 93 CA LYS A 6 0.719 7.735 4.646 1.00 6.12 C ATOM 94 C LYS A 6 2.147 7.389 4.893 1.00 6.57 C ATOM 95 O LYS A 6 2.465 6.230 5.154 1.00 5.76 O ATOM 96 CB LYS A 6 0.123 8.093 6.018 1.00 7.45 C ATOM 97 CG LYS A 6 -1.397 8.243 5.944 1.00 11.12 C ATOM 98 CD LYS A 6 -2.021 8.670 7.275 1.00 14.54 C ATOM 99 CE LYS A 6 -3.539 8.479 7.286 1.00 18.84 C ATOM 100 NZ LYS A 6 -4.121 8.944 8.565 1.00 20.55 N ATOM 0 H LYS A 6 0.137 5.753 4.488 1.00 6.04 H new ATOM 0 HA LYS A 6 0.565 8.592 3.990 1.00 6.12 H new ATOM 0 HB2 LYS A 6 0.379 7.318 6.741 1.00 7.45 H new ATOM 0 HB3 LYS A 6 0.565 9.023 6.377 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.647 8.978 5.179 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -1.835 7.295 5.631 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.577 8.091 8.085 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.786 9.717 7.466 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -3.985 9.030 6.458 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -3.778 7.426 7.134 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -5.151 8.804 8.549 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -3.710 8.401 9.351 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -3.911 9.954 8.695 1.00 20.55 H new ATOM 114 N THR A 7 3.038 8.359 4.621 1.00 7.41 N ATOM 115 CA THR A 7 4.423 8.030 4.482 1.00 7.48 C ATOM 116 C THR A 7 5.118 8.253 5.781 1.00 8.75 C ATOM 117 O THR A 7 4.551 8.716 6.769 1.00 8.58 O ATOM 118 CB THR A 7 5.110 8.680 3.318 1.00 9.61 C ATOM 119 OG1 THR A 7 5.143 10.089 3.494 1.00 11.78 O ATOM 120 CG2 THR A 7 4.322 8.299 2.053 1.00 9.17 C ATOM 0 H THR A 7 2.809 9.346 4.500 1.00 7.41 H new ATOM 0 HA THR A 7 4.480 6.971 4.231 1.00 7.48 H new ATOM 0 HB THR A 7 6.142 8.341 3.233 1.00 9.61 H new ATOM 0 HG1 THR A 7 5.595 10.504 2.730 1.00 11.78 H new ATOM 0 HG21 THR A 7 4.792 8.754 1.181 1.00 9.17 H new ATOM 0 HG22 THR A 7 4.319 7.215 1.939 1.00 9.17 H new ATOM 0 HG23 THR A 7 3.296 8.658 2.141 1.00 9.17 H new ATOM 128 N LEU A 8 6.435 7.981 5.808 1.00 9.84 N ATOM 129 CA LEU A 8 7.287 8.258 6.923 1.00 14.15 C ATOM 130 C LEU A 8 7.585 9.702 7.140 1.00 17.37 C ATOM 131 O LEU A 8 7.642 10.236 8.247 1.00 17.01 O ATOM 132 CB LEU A 8 8.645 7.543 6.823 1.00 16.63 C ATOM 133 CG LEU A 8 9.561 7.699 8.049 1.00 18.88 C ATOM 134 CD1 LEU A 8 9.138 6.897 9.291 1.00 18.59 C ATOM 135 CD2 LEU A 8 10.982 7.323 7.596 1.00 19.31 C ATOM 0 H LEU A 8 6.925 7.552 5.023 1.00 9.84 H new ATOM 0 HA LEU A 8 6.701 7.885 7.763 1.00 14.15 H new ATOM 0 HB2 LEU A 8 8.466 6.481 6.656 1.00 16.63 H new ATOM 0 HB3 LEU A 8 9.172 7.919 5.946 1.00 16.63 H new ATOM 0 HG LEU A 8 9.497 8.733 8.387 1.00 18.88 H new ATOM 0 HD11 LEU A 8 9.848 7.075 10.099 1.00 18.59 H new ATOM 0 HD12 LEU A 8 8.143 7.212 9.606 1.00 18.59 H new ATOM 0 HD13 LEU A 8 9.123 5.834 9.050 1.00 18.59 H new ATOM 0 HD21 LEU A 8 11.669 7.419 8.437 1.00 19.31 H new ATOM 0 HD22 LEU A 8 10.989 6.294 7.237 1.00 19.31 H new ATOM 0 HD23 LEU A 8 11.296 7.989 6.793 1.00 19.31 H new ATOM 147 N THR A 9 7.936 10.408 6.051 1.00 18.33 N ATOM 148 CA THR A 9 8.167 11.819 6.085 1.00 19.24 C ATOM 149 C THR A 9 6.948 12.667 6.216 1.00 19.48 C ATOM 150 O THR A 9 7.032 13.699 6.881 1.00 23.14 O ATOM 151 CB THR A 9 8.783 12.242 4.785 1.00 18.97 C ATOM 152 OG1 THR A 9 8.278 11.627 3.609 1.00 20.24 O ATOM 153 CG2 THR A 9 10.316 12.129 4.827 1.00 19.70 C ATOM 0 H THR A 9 8.062 9.991 5.129 1.00 18.33 H new ATOM 0 HA THR A 9 8.791 11.968 6.966 1.00 19.24 H new ATOM 0 HB THR A 9 8.478 13.285 4.698 1.00 18.97 H new ATOM 0 HG1 THR A 9 8.751 11.980 2.826 1.00 20.24 H new ATOM 0 HG21 THR A 9 10.730 12.443 3.869 1.00 19.70 H new ATOM 0 HG22 THR A 9 10.706 12.769 5.619 1.00 19.70 H new ATOM 0 HG23 THR A 9 10.599 11.095 5.023 1.00 19.70 H new ATOM 161 N GLY A 10 5.839 12.331 5.534 1.00 19.43 N ATOM 162 CA GLY A 10 4.619 13.063 5.684 1.00 18.74 C ATOM 163 C GLY A 10 4.079 13.509 4.370 1.00 17.62 C ATOM 164 O GLY A 10 3.859 14.690 4.104 1.00 19.74 O ATOM 0 H GLY A 10 5.787 11.552 4.878 1.00 19.43 H new ATOM 0 HA2 GLY A 10 3.880 12.440 6.188 1.00 18.74 H new ATOM 0 HA3 GLY A 10 4.791 13.931 6.320 1.00 18.74 H new ATOM 168 N LYS A 11 3.714 12.492 3.569 1.00 13.56 N ATOM 169 CA LYS A 11 2.805 12.598 2.470 1.00 11.91 C ATOM 170 C LYS A 11 1.705 11.615 2.685 1.00 10.18 C ATOM 171 O LYS A 11 1.862 10.468 3.101 1.00 9.10 O ATOM 172 CB LYS A 11 3.521 12.358 1.131 1.00 13.43 C ATOM 173 CG LYS A 11 2.594 12.782 -0.010 1.00 16.69 C ATOM 174 CD LYS A 11 3.284 12.816 -1.375 1.00 17.92 C ATOM 175 CE LYS A 11 2.284 12.821 -2.532 1.00 20.81 C ATOM 176 NZ LYS A 11 3.050 12.992 -3.787 1.00 21.93 N ATOM 0 H LYS A 11 4.072 11.545 3.695 1.00 13.56 H new ATOM 0 HA LYS A 11 2.393 13.606 2.423 1.00 11.91 H new ATOM 0 HB2 LYS A 11 4.450 12.927 1.093 1.00 13.43 H new ATOM 0 HB3 LYS A 11 3.787 11.306 1.029 1.00 13.43 H new ATOM 0 HG2 LYS A 11 1.749 12.095 -0.056 1.00 16.69 H new ATOM 0 HG3 LYS A 11 2.190 13.770 0.209 1.00 16.69 H new ATOM 0 HD2 LYS A 11 3.914 13.703 -1.439 1.00 17.92 H new ATOM 0 HD3 LYS A 11 3.941 11.951 -1.469 1.00 17.92 H new ATOM 0 HE2 LYS A 11 1.718 11.889 -2.553 1.00 20.81 H new ATOM 0 HE3 LYS A 11 1.563 13.629 -2.411 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 2.668 12.357 -4.516 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 2.971 13.977 -4.110 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 4.050 12.762 -3.617 1.00 21.93 H new ATOM 190 N THR A 12 0.458 12.053 2.437 1.00 9.63 N ATOM 191 CA THR A 12 -0.711 11.235 2.349 1.00 9.85 C ATOM 192 C THR A 12 -1.173 11.042 0.946 1.00 11.66 C ATOM 193 O THR A 12 -1.805 11.922 0.363 1.00 12.33 O ATOM 194 CB THR A 12 -1.843 11.746 3.191 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.475 11.990 4.540 1.00 10.91 O ATOM 196 CG2 THR A 12 -3.034 10.774 3.207 1.00 9.63 C ATOM 0 H THR A 12 0.254 13.041 2.289 1.00 9.63 H new ATOM 0 HA THR A 12 -0.406 10.266 2.744 1.00 9.85 H new ATOM 0 HB THR A 12 -2.124 12.688 2.721 1.00 10.85 H new ATOM 0 HG1 THR A 12 -2.252 12.322 5.036 1.00 10.91 H new ATOM 0 HG21 THR A 12 -3.830 11.184 3.828 1.00 9.63 H new ATOM 0 HG22 THR A 12 -3.403 10.634 2.191 1.00 9.63 H new ATOM 0 HG23 THR A 12 -2.715 9.814 3.613 1.00 9.63 H new ATOM 204 N ILE A 13 -1.008 9.837 0.370 1.00 10.42 N ATOM 205 CA ILE A 13 -1.450 9.563 -0.962 1.00 11.84 C ATOM 206 C ILE A 13 -2.761 8.858 -0.904 1.00 10.55 C ATOM 207 O ILE A 13 -2.897 7.899 -0.146 1.00 11.92 O ATOM 208 CB ILE A 13 -0.459 8.717 -1.704 1.00 14.86 C ATOM 209 CG1 ILE A 13 0.997 9.143 -1.451 1.00 14.87 C ATOM 210 CG2 ILE A 13 -0.676 8.685 -3.226 1.00 17.08 C ATOM 211 CD1 ILE A 13 1.736 8.273 -0.435 1.00 16.46 C ATOM 0 H ILE A 13 -0.563 9.045 0.834 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.551 10.509 -1.494 1.00 11.84 H new ATOM 0 HB ILE A 13 -0.635 7.719 -1.302 1.00 14.86 H new ATOM 0 HG12 ILE A 13 1.540 9.120 -2.396 1.00 14.87 H new ATOM 0 HG13 ILE A 13 1.006 10.176 -1.103 1.00 14.87 H new ATOM 0 HG21 ILE A 13 0.081 8.052 -3.688 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.666 8.285 -3.444 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -0.597 9.696 -3.626 1.00 17.08 H new ATOM 0 HD11 ILE A 13 2.755 8.640 -0.314 1.00 16.46 H new ATOM 0 HD12 ILE A 13 1.219 8.315 0.524 1.00 16.46 H new ATOM 0 HD13 ILE A 13 1.761 7.242 -0.789 1.00 16.46 H new ATOM 223 N THR A 14 -3.800 9.359 -1.596 1.00 9.39 N ATOM 224 CA THR A 14 -5.085 8.732 -1.598 1.00 9.63 C ATOM 225 C THR A 14 -5.323 7.848 -2.774 1.00 11.20 C ATOM 226 O THR A 14 -5.452 8.309 -3.906 1.00 11.63 O ATOM 227 CB THR A 14 -6.191 9.723 -1.383 1.00 10.38 C ATOM 228 OG1 THR A 14 -5.866 10.593 -0.309 1.00 16.30 O ATOM 229 CG2 THR A 14 -7.580 9.103 -1.160 1.00 11.66 C ATOM 0 H THR A 14 -3.748 10.207 -2.160 1.00 9.39 H new ATOM 0 HA THR A 14 -5.088 8.059 -0.741 1.00 9.63 H new ATOM 0 HB THR A 14 -6.268 10.279 -2.317 1.00 10.38 H new ATOM 0 HG1 THR A 14 -6.593 11.237 -0.178 1.00 16.30 H new ATOM 0 HG21 THR A 14 -8.313 9.896 -1.014 1.00 11.66 H new ATOM 0 HG22 THR A 14 -7.857 8.508 -2.031 1.00 11.66 H new ATOM 0 HG23 THR A 14 -7.556 8.464 -0.277 1.00 11.66 H new ATOM 237 N LEU A 15 -5.415 6.515 -2.618 1.00 8.29 N ATOM 238 CA LEU A 15 -5.560 5.600 -3.708 1.00 9.03 C ATOM 239 C LEU A 15 -6.994 5.250 -3.908 1.00 8.59 C ATOM 240 O LEU A 15 -7.763 5.205 -2.949 1.00 7.79 O ATOM 241 CB LEU A 15 -4.584 4.434 -3.480 1.00 11.08 C ATOM 242 CG LEU A 15 -3.087 4.771 -3.370 1.00 15.79 C ATOM 243 CD1 LEU A 15 -2.194 3.524 -3.253 1.00 15.27 C ATOM 244 CD2 LEU A 15 -2.547 5.570 -4.568 1.00 15.88 C ATOM 0 H LEU A 15 -5.388 6.060 -1.706 1.00 8.29 H new ATOM 0 HA LEU A 15 -5.280 6.037 -4.667 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -4.881 3.921 -2.565 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -4.710 3.725 -4.299 1.00 11.08 H new ATOM 0 HG LEU A 15 -3.038 5.370 -2.461 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -1.150 3.830 -3.179 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -2.471 2.960 -2.362 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -2.327 2.897 -4.135 1.00 15.27 H new ATOM 0 HD21 LEU A 15 -1.486 5.772 -4.422 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -2.684 4.992 -5.482 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -3.088 6.513 -4.650 1.00 15.88 H new ATOM 256 N GLU A 16 -7.444 5.179 -5.174 1.00 11.04 N ATOM 257 CA GLU A 16 -8.793 4.952 -5.591 1.00 11.50 C ATOM 258 C GLU A 16 -8.954 3.579 -6.147 1.00 10.13 C ATOM 259 O GLU A 16 -9.161 3.288 -7.324 1.00 9.83 O ATOM 260 CB GLU A 16 -9.160 6.038 -6.616 1.00 17.22 C ATOM 261 CG GLU A 16 -9.173 7.408 -5.935 1.00 23.33 C ATOM 262 CD GLU A 16 -9.317 8.452 -7.033 1.00 26.99 C ATOM 263 OE1 GLU A 16 -9.907 8.241 -8.126 1.00 28.86 O ATOM 264 OE2 GLU A 16 -8.775 9.575 -6.857 1.00 28.90 O ATOM 0 H GLU A 16 -6.813 5.289 -5.968 1.00 11.04 H new ATOM 0 HA GLU A 16 -9.471 5.016 -4.740 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -8.441 6.036 -7.436 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -10.138 5.827 -7.049 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -9.998 7.478 -5.226 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -8.254 7.567 -5.371 1.00 23.33 H new ATOM 271 N VAL A 17 -8.947 2.549 -5.282 1.00 8.99 N ATOM 272 CA VAL A 17 -8.988 1.151 -5.582 1.00 8.85 C ATOM 273 C VAL A 17 -10.383 0.696 -5.324 1.00 8.04 C ATOM 274 O VAL A 17 -11.130 1.555 -4.859 1.00 8.99 O ATOM 275 CB VAL A 17 -8.097 0.371 -4.662 1.00 9.78 C ATOM 276 CG1 VAL A 17 -6.623 0.775 -4.840 1.00 12.05 C ATOM 277 CG2 VAL A 17 -8.549 0.486 -3.196 1.00 10.54 C ATOM 0 H VAL A 17 -8.909 2.713 -4.276 1.00 8.99 H new ATOM 0 HA VAL A 17 -8.664 0.994 -6.611 1.00 8.85 H new ATOM 0 HB VAL A 17 -8.183 -0.680 -4.936 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -6.001 0.193 -4.160 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -6.315 0.583 -5.868 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -6.507 1.836 -4.619 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -7.878 -0.093 -2.562 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -8.526 1.532 -2.889 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -9.564 0.101 -3.097 1.00 10.54 H new ATOM 287 N GLU A 18 -10.660 -0.544 -5.764 1.00 7.29 N ATOM 288 CA GLU A 18 -11.851 -1.316 -5.590 1.00 7.08 C ATOM 289 C GLU A 18 -11.624 -2.202 -4.414 1.00 6.45 C ATOM 290 O GLU A 18 -10.447 -2.449 -4.155 1.00 5.28 O ATOM 291 CB GLU A 18 -12.267 -2.177 -6.795 1.00 10.28 C ATOM 292 CG GLU A 18 -12.429 -1.312 -8.047 1.00 12.65 C ATOM 293 CD GLU A 18 -13.733 -0.535 -7.929 1.00 14.15 C ATOM 294 OE1 GLU A 18 -14.792 -1.184 -8.140 1.00 18.17 O ATOM 295 OE2 GLU A 18 -13.734 0.693 -7.645 1.00 14.33 O ATOM 0 H GLU A 18 -9.967 -1.062 -6.304 1.00 7.29 H new ATOM 0 HA GLU A 18 -12.671 -0.611 -5.457 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -11.517 -2.948 -6.974 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -13.204 -2.689 -6.577 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -11.587 -0.627 -8.146 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -12.439 -1.936 -8.941 1.00 12.65 H new ATOM 302 N PRO A 19 -12.664 -2.688 -3.804 1.00 7.24 N ATOM 303 CA PRO A 19 -12.389 -3.660 -2.787 1.00 7.07 C ATOM 304 C PRO A 19 -11.926 -4.943 -3.387 1.00 6.65 C ATOM 305 O PRO A 19 -11.324 -5.681 -2.609 1.00 6.37 O ATOM 306 CB PRO A 19 -13.671 -3.839 -1.976 1.00 7.61 C ATOM 307 CG PRO A 19 -14.775 -3.393 -2.948 1.00 8.16 C ATOM 308 CD PRO A 19 -14.084 -2.377 -3.871 1.00 7.49 C ATOM 0 HA PRO A 19 -11.582 -3.324 -2.136 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -13.806 -4.874 -1.662 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -13.662 -3.230 -1.072 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -15.172 -4.237 -3.512 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -15.613 -2.942 -2.417 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -14.455 -2.460 -4.892 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -14.277 -1.355 -3.543 1.00 7.49 H new ATOM 316 N SER A 20 -12.211 -5.418 -4.613 1.00 6.80 N ATOM 317 CA SER A 20 -11.712 -6.606 -5.233 1.00 6.28 C ATOM 318 C SER A 20 -10.285 -6.485 -5.645 1.00 8.45 C ATOM 319 O SER A 20 -9.712 -7.548 -5.878 1.00 7.26 O ATOM 320 CB SER A 20 -12.589 -7.005 -6.431 1.00 8.57 C ATOM 321 OG SER A 20 -12.948 -5.916 -7.268 1.00 11.13 O ATOM 0 H SER A 20 -12.854 -4.919 -5.228 1.00 6.80 H new ATOM 0 HA SER A 20 -11.758 -7.394 -4.481 1.00 6.28 H new ATOM 0 HB2 SER A 20 -12.058 -7.748 -7.026 1.00 8.57 H new ATOM 0 HB3 SER A 20 -13.497 -7.482 -6.062 1.00 8.57 H new ATOM 0 HG SER A 20 -13.502 -6.241 -8.008 1.00 11.13 H new ATOM 327 N ASP A 21 -9.594 -5.333 -5.577 1.00 7.50 N ATOM 328 CA ASP A 21 -8.261 -5.305 -6.096 1.00 7.70 C ATOM 329 C ASP A 21 -7.272 -5.933 -5.176 1.00 7.08 C ATOM 330 O ASP A 21 -7.494 -6.032 -3.970 1.00 8.11 O ATOM 331 CB ASP A 21 -7.793 -3.866 -6.371 1.00 11.00 C ATOM 332 CG ASP A 21 -8.596 -3.260 -7.512 1.00 15.32 C ATOM 333 OD1 ASP A 21 -8.749 -3.777 -8.651 1.00 18.03 O ATOM 334 OD2 ASP A 21 -8.990 -2.095 -7.236 1.00 14.36 O ATOM 0 H ASP A 21 -9.937 -4.457 -5.182 1.00 7.50 H new ATOM 0 HA ASP A 21 -8.303 -5.877 -7.023 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -7.910 -3.260 -5.473 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -6.732 -3.863 -6.622 1.00 11.00 H new ATOM 339 N THR A 22 -6.139 -6.456 -5.677 1.00 5.37 N ATOM 340 CA THR A 22 -5.051 -7.083 -4.993 1.00 6.01 C ATOM 341 C THR A 22 -4.025 -6.080 -4.592 1.00 8.01 C ATOM 342 O THR A 22 -3.921 -5.025 -5.216 1.00 8.11 O ATOM 343 CB THR A 22 -4.324 -8.174 -5.723 1.00 8.92 C ATOM 344 OG1 THR A 22 -3.742 -7.897 -6.988 1.00 10.22 O ATOM 345 CG2 THR A 22 -5.281 -9.348 -5.990 1.00 9.65 C ATOM 0 H THR A 22 -5.969 -6.435 -6.683 1.00 5.37 H new ATOM 0 HA THR A 22 -5.553 -7.551 -4.146 1.00 6.01 H new ATOM 0 HB THR A 22 -3.498 -8.362 -5.037 1.00 8.92 H new ATOM 0 HG1 THR A 22 -3.306 -8.705 -7.331 1.00 10.22 H new ATOM 0 HG21 THR A 22 -4.749 -10.138 -6.520 1.00 9.65 H new ATOM 0 HG22 THR A 22 -5.655 -9.735 -5.042 1.00 9.65 H new ATOM 0 HG23 THR A 22 -6.118 -9.004 -6.597 1.00 9.65 H new ATOM 353 N ILE A 23 -3.251 -6.276 -3.509 1.00 8.32 N ATOM 354 CA ILE A 23 -2.210 -5.438 -3.000 1.00 9.92 C ATOM 355 C ILE A 23 -1.122 -5.153 -3.978 1.00 10.01 C ATOM 356 O ILE A 23 -0.527 -4.081 -4.065 1.00 8.71 O ATOM 357 CB ILE A 23 -1.789 -5.957 -1.658 1.00 10.78 C ATOM 358 CG1 ILE A 23 -2.897 -6.008 -0.592 1.00 11.38 C ATOM 359 CG2 ILE A 23 -0.461 -5.344 -1.182 1.00 10.90 C ATOM 360 CD1 ILE A 23 -3.391 -4.610 -0.222 1.00 12.30 C ATOM 0 H ILE A 23 -3.369 -7.109 -2.932 1.00 8.32 H new ATOM 0 HA ILE A 23 -2.595 -4.431 -2.841 1.00 9.92 H new ATOM 0 HB ILE A 23 -1.584 -7.016 -1.818 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -3.732 -6.602 -0.963 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -2.521 -6.509 0.300 1.00 11.38 H new ATOM 0 HG21 ILE A 23 -0.201 -5.753 -0.206 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.327 -5.582 -1.897 1.00 10.90 H new ATOM 0 HG23 ILE A 23 -0.566 -4.262 -1.106 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -4.173 -4.688 0.533 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -2.562 -4.024 0.174 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -3.791 -4.119 -1.109 1.00 12.30 H new ATOM 372 N GLU A 24 -0.859 -6.097 -4.899 1.00 9.54 N ATOM 373 CA GLU A 24 -0.070 -5.942 -6.082 1.00 11.81 C ATOM 374 C GLU A 24 -0.434 -4.747 -6.893 1.00 11.14 C ATOM 375 O GLU A 24 0.447 -3.924 -7.136 1.00 10.62 O ATOM 376 CB GLU A 24 -0.340 -7.172 -6.965 1.00 19.24 C ATOM 377 CG GLU A 24 0.723 -7.436 -8.033 1.00 27.76 C ATOM 378 CD GLU A 24 0.563 -8.738 -8.805 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.893 -9.832 -8.275 1.00 36.51 O ATOM 380 OE2 GLU A 24 0.291 -8.684 -10.034 1.00 34.80 O ATOM 0 H GLU A 24 -1.228 -7.044 -4.808 1.00 9.54 H new ATOM 0 HA GLU A 24 0.968 -5.829 -5.770 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.420 -8.051 -6.326 1.00 19.24 H new ATOM 0 HB3 GLU A 24 -1.305 -7.046 -7.455 1.00 19.24 H new ATOM 0 HG2 GLU A 24 0.714 -6.609 -8.743 1.00 27.76 H new ATOM 0 HG3 GLU A 24 1.702 -7.435 -7.555 1.00 27.76 H new ATOM 387 N ASN A 25 -1.746 -4.536 -7.103 1.00 9.43 N ATOM 388 CA ASN A 25 -2.234 -3.404 -7.828 1.00 10.96 C ATOM 389 C ASN A 25 -2.017 -2.141 -7.068 1.00 9.68 C ATOM 390 O ASN A 25 -1.722 -1.122 -7.691 1.00 9.33 O ATOM 391 CB ASN A 25 -3.705 -3.609 -8.227 1.00 16.78 C ATOM 392 CG ASN A 25 -4.239 -2.640 -9.273 1.00 22.31 C ATOM 393 OD1 ASN A 25 -5.123 -1.840 -8.971 1.00 25.66 O ATOM 394 ND2 ASN A 25 -3.678 -2.562 -10.509 1.00 24.70 N ATOM 0 H ASN A 25 -2.478 -5.160 -6.765 1.00 9.43 H new ATOM 0 HA ASN A 25 -1.662 -3.310 -8.751 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -3.823 -4.625 -8.603 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -4.321 -3.527 -7.332 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -3.992 -1.849 -11.167 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -2.943 -3.217 -10.778 1.00 24.70 H new ATOM 401 N VAL A 26 -2.164 -2.179 -5.732 1.00 6.52 N ATOM 402 CA VAL A 26 -1.979 -1.006 -4.935 1.00 5.53 C ATOM 403 C VAL A 26 -0.571 -0.519 -4.902 1.00 4.42 C ATOM 404 O VAL A 26 -0.351 0.688 -4.990 1.00 3.40 O ATOM 405 CB VAL A 26 -2.432 -1.256 -3.527 1.00 3.86 C ATOM 406 CG1 VAL A 26 -2.392 -0.006 -2.633 1.00 7.25 C ATOM 407 CG2 VAL A 26 -3.863 -1.819 -3.542 1.00 8.12 C ATOM 0 H VAL A 26 -2.410 -3.017 -5.205 1.00 6.52 H new ATOM 0 HA VAL A 26 -2.582 -0.231 -5.409 1.00 5.53 H new ATOM 0 HB VAL A 26 -1.730 -1.971 -3.099 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -2.733 -0.265 -1.631 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -1.371 0.373 -2.582 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -3.043 0.761 -3.051 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -4.193 -2.001 -2.519 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -4.532 -1.101 -4.017 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -3.880 -2.755 -4.101 1.00 8.12 H new ATOM 417 N LYS A 27 0.345 -1.499 -4.815 1.00 2.64 N ATOM 418 CA LYS A 27 1.770 -1.394 -4.869 1.00 4.14 C ATOM 419 C LYS A 27 2.257 -0.789 -6.140 1.00 5.58 C ATOM 420 O LYS A 27 2.946 0.226 -6.236 1.00 4.11 O ATOM 421 CB LYS A 27 2.469 -2.695 -4.439 1.00 3.97 C ATOM 422 CG LYS A 27 2.529 -3.032 -2.948 1.00 7.45 C ATOM 423 CD LYS A 27 3.069 -4.421 -2.606 1.00 9.02 C ATOM 424 CE LYS A 27 4.584 -4.579 -2.753 1.00 12.90 C ATOM 425 NZ LYS A 27 4.953 -6.006 -2.615 1.00 15.47 N ATOM 0 H LYS A 27 0.053 -2.469 -4.694 1.00 2.64 H new ATOM 0 HA LYS A 27 2.074 -0.670 -4.113 1.00 4.14 H new ATOM 0 HB2 LYS A 27 1.972 -3.522 -4.946 1.00 3.97 H new ATOM 0 HB3 LYS A 27 3.492 -2.661 -4.813 1.00 3.97 H new ATOM 0 HG2 LYS A 27 3.150 -2.288 -2.450 1.00 7.45 H new ATOM 0 HG3 LYS A 27 1.526 -2.939 -2.532 1.00 7.45 H new ATOM 0 HD2 LYS A 27 2.792 -4.660 -1.579 1.00 9.02 H new ATOM 0 HD3 LYS A 27 2.578 -5.153 -3.247 1.00 9.02 H new ATOM 0 HE2 LYS A 27 4.906 -4.202 -3.724 1.00 12.90 H new ATOM 0 HE3 LYS A 27 5.096 -3.986 -1.995 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 5.981 -6.087 -2.477 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 4.461 -6.414 -1.795 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 4.677 -6.521 -3.476 1.00 15.47 H new ATOM 439 N ALA A 28 1.718 -1.338 -7.243 1.00 6.61 N ATOM 440 CA ALA A 28 1.826 -0.939 -8.612 1.00 7.74 C ATOM 441 C ALA A 28 1.394 0.475 -8.794 1.00 9.17 C ATOM 442 O ALA A 28 1.971 1.146 -9.649 1.00 11.45 O ATOM 443 CB ALA A 28 1.118 -1.905 -9.577 1.00 7.68 C ATOM 0 H ALA A 28 1.132 -2.168 -7.159 1.00 6.61 H new ATOM 0 HA ALA A 28 2.882 -0.993 -8.878 1.00 7.74 H new ATOM 0 HB1 ALA A 28 1.235 -1.548 -10.600 1.00 7.68 H new ATOM 0 HB2 ALA A 28 1.558 -2.898 -9.486 1.00 7.68 H new ATOM 0 HB3 ALA A 28 0.058 -1.954 -9.330 1.00 7.68 H new ATOM 449 N LYS A 29 0.435 1.069 -8.061 1.00 8.96 N ATOM 450 CA LYS A 29 -0.062 2.401 -8.218 1.00 7.90 C ATOM 451 C LYS A 29 0.944 3.370 -7.701 1.00 6.92 C ATOM 452 O LYS A 29 1.163 4.418 -8.306 1.00 6.87 O ATOM 453 CB LYS A 29 -1.443 2.726 -7.624 1.00 10.28 C ATOM 454 CG LYS A 29 -2.556 2.116 -8.479 1.00 14.94 C ATOM 455 CD LYS A 29 -3.949 2.567 -8.037 1.00 19.69 C ATOM 456 CE LYS A 29 -5.133 2.028 -8.842 1.00 22.63 C ATOM 457 NZ LYS A 29 -5.168 2.587 -10.212 1.00 24.98 N ATOM 0 H LYS A 29 -0.029 0.577 -7.298 1.00 8.96 H new ATOM 0 HA LYS A 29 -0.221 2.489 -9.293 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -1.507 2.341 -6.606 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -1.574 3.806 -7.565 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -2.402 2.393 -9.522 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -2.496 1.029 -8.426 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -4.086 2.277 -6.995 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -3.981 3.656 -8.072 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -5.072 0.941 -8.895 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -6.063 2.270 -8.327 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -5.984 2.197 -10.725 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -5.252 3.622 -10.162 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -4.292 2.334 -10.712 1.00 24.98 H new ATOM 471 N ILE A 30 1.611 3.061 -6.575 1.00 4.57 N ATOM 472 CA ILE A 30 2.694 3.740 -5.932 1.00 5.58 C ATOM 473 C ILE A 30 3.893 3.868 -6.806 1.00 7.26 C ATOM 474 O ILE A 30 4.467 4.955 -6.745 1.00 9.46 O ATOM 475 CB ILE A 30 2.833 3.180 -4.547 1.00 5.36 C ATOM 476 CG1 ILE A 30 1.619 3.555 -3.681 1.00 2.94 C ATOM 477 CG2 ILE A 30 4.137 3.668 -3.893 1.00 2.78 C ATOM 478 CD1 ILE A 30 1.532 2.699 -2.418 1.00 2.00 C ATOM 0 H ILE A 30 1.354 2.225 -6.050 1.00 4.57 H new ATOM 0 HA ILE A 30 2.498 4.801 -5.774 1.00 5.58 H new ATOM 0 HB ILE A 30 2.873 2.093 -4.623 1.00 5.36 H new ATOM 0 HG12 ILE A 30 1.683 4.607 -3.403 1.00 2.94 H new ATOM 0 HG13 ILE A 30 0.706 3.435 -4.264 1.00 2.94 H new ATOM 0 HG21 ILE A 30 4.219 3.251 -2.889 1.00 2.78 H new ATOM 0 HG22 ILE A 30 4.988 3.343 -4.492 1.00 2.78 H new ATOM 0 HG23 ILE A 30 4.129 4.756 -3.834 1.00 2.78 H new ATOM 0 HD11 ILE A 30 0.660 2.997 -1.836 1.00 2.00 H new ATOM 0 HD12 ILE A 30 1.441 1.649 -2.696 1.00 2.00 H new ATOM 0 HD13 ILE A 30 2.433 2.839 -1.821 1.00 2.00 H new ATOM 490 N GLN A 31 4.242 2.871 -7.638 1.00 7.06 N ATOM 491 CA GLN A 31 5.198 2.980 -8.696 1.00 8.67 C ATOM 492 C GLN A 31 4.826 4.006 -9.710 1.00 10.90 C ATOM 493 O GLN A 31 5.670 4.844 -10.025 1.00 9.63 O ATOM 494 CB GLN A 31 5.469 1.625 -9.373 1.00 9.12 C ATOM 495 CG GLN A 31 6.532 1.623 -10.473 1.00 10.76 C ATOM 496 CD GLN A 31 6.990 0.276 -11.013 1.00 13.78 C ATOM 497 OE1 GLN A 31 8.175 -0.046 -11.085 1.00 14.48 O ATOM 498 NE2 GLN A 31 5.975 -0.514 -11.455 1.00 14.76 N ATOM 0 H GLN A 31 3.835 1.938 -7.569 1.00 7.06 H new ATOM 0 HA GLN A 31 6.121 3.314 -8.222 1.00 8.67 H new ATOM 0 HB2 GLN A 31 5.769 0.912 -8.605 1.00 9.12 H new ATOM 0 HB3 GLN A 31 4.534 1.261 -9.799 1.00 9.12 H new ATOM 0 HG2 GLN A 31 6.149 2.207 -11.310 1.00 10.76 H new ATOM 0 HG3 GLN A 31 7.409 2.147 -10.093 1.00 10.76 H new ATOM 0 HE21 GLN A 31 5.009 -0.198 -11.371 1.00 14.76 H new ATOM 0 HE22 GLN A 31 6.180 -1.423 -11.871 1.00 14.76 H new ATOM 507 N ASP A 32 3.610 3.898 -10.274 1.00 10.93 N ATOM 508 CA ASP A 32 3.140 4.713 -11.351 1.00 14.01 C ATOM 509 C ASP A 32 3.207 6.166 -11.026 1.00 14.04 C ATOM 510 O ASP A 32 3.738 6.989 -11.769 1.00 13.39 O ATOM 511 CB ASP A 32 1.683 4.243 -11.496 1.00 18.01 C ATOM 512 CG ASP A 32 1.068 4.541 -12.856 1.00 24.33 C ATOM 513 OD1 ASP A 32 1.068 5.748 -13.217 1.00 26.29 O ATOM 514 OD2 ASP A 32 0.672 3.600 -13.594 1.00 25.17 O ATOM 0 H ASP A 32 2.923 3.211 -9.965 1.00 10.93 H new ATOM 0 HA ASP A 32 3.734 4.610 -12.259 1.00 14.01 H new ATOM 0 HB2 ASP A 32 1.639 3.169 -11.317 1.00 18.01 H new ATOM 0 HB3 ASP A 32 1.080 4.720 -10.724 1.00 18.01 H new ATOM 519 N LYS A 33 2.637 6.529 -9.863 1.00 14.22 N ATOM 520 CA LYS A 33 2.555 7.834 -9.284 1.00 14.00 C ATOM 521 C LYS A 33 3.809 8.293 -8.624 1.00 12.37 C ATOM 522 O LYS A 33 4.469 9.221 -9.088 1.00 12.17 O ATOM 523 CB LYS A 33 1.364 7.852 -8.310 1.00 18.62 C ATOM 524 CG LYS A 33 0.031 7.401 -8.910 1.00 24.00 C ATOM 525 CD LYS A 33 -1.112 7.406 -7.893 1.00 27.61 C ATOM 526 CE LYS A 33 -2.427 6.917 -8.503 1.00 27.64 C ATOM 527 NZ LYS A 33 -2.687 7.585 -9.798 1.00 30.06 N ATOM 0 H LYS A 33 2.187 5.833 -9.268 1.00 14.22 H new ATOM 0 HA LYS A 33 2.404 8.549 -10.093 1.00 14.00 H new ATOM 0 HB2 LYS A 33 1.599 7.210 -7.461 1.00 18.62 H new ATOM 0 HB3 LYS A 33 1.247 8.864 -7.922 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -0.227 8.056 -9.742 1.00 24.00 H new ATOM 0 HG3 LYS A 33 0.143 6.396 -9.318 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -0.847 6.771 -7.047 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -1.246 8.415 -7.504 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -2.387 5.837 -8.647 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -3.248 7.116 -7.815 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -3.713 7.633 -9.964 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -2.294 8.548 -9.777 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.237 7.044 -10.564 1.00 30.06 H new ATOM 541 N GLU A 34 4.200 7.694 -7.484 1.00 10.11 N ATOM 542 CA GLU A 34 5.250 8.105 -6.605 1.00 10.07 C ATOM 543 C GLU A 34 6.622 7.610 -6.909 1.00 9.32 C ATOM 544 O GLU A 34 7.571 8.269 -6.486 1.00 11.61 O ATOM 545 CB GLU A 34 4.844 7.805 -5.152 1.00 14.77 C ATOM 546 CG GLU A 34 3.588 8.477 -4.593 1.00 18.75 C ATOM 547 CD GLU A 34 3.632 9.998 -4.635 1.00 22.28 C ATOM 548 OE1 GLU A 34 4.623 10.679 -4.259 1.00 25.19 O ATOM 549 OE2 GLU A 34 2.589 10.555 -5.069 1.00 21.95 O ATOM 0 H GLU A 34 3.739 6.848 -7.150 1.00 10.11 H new ATOM 0 HA GLU A 34 5.352 9.178 -6.771 1.00 10.07 H new ATOM 0 HB2 GLU A 34 4.712 6.727 -5.060 1.00 14.77 H new ATOM 0 HB3 GLU A 34 5.681 8.080 -4.510 1.00 14.77 H new ATOM 0 HG2 GLU A 34 2.722 8.133 -5.158 1.00 18.75 H new ATOM 0 HG3 GLU A 34 3.444 8.156 -3.561 1.00 18.75 H new ATOM 556 N GLY A 35 6.805 6.641 -7.824 1.00 7.22 N ATOM 557 CA GLY A 35 8.007 6.297 -8.518 1.00 6.29 C ATOM 558 C GLY A 35 8.846 5.235 -7.896 1.00 6.93 C ATOM 559 O GLY A 35 10.045 5.111 -8.141 1.00 7.41 O ATOM 0 H GLY A 35 6.031 6.039 -8.104 1.00 7.22 H new ATOM 0 HA2 GLY A 35 7.741 5.977 -9.525 1.00 6.29 H new ATOM 0 HA3 GLY A 35 8.613 7.197 -8.619 1.00 6.29 H new ATOM 563 N ILE A 36 8.240 4.414 -7.020 1.00 5.86 N ATOM 564 CA ILE A 36 8.891 3.427 -6.216 1.00 6.07 C ATOM 565 C ILE A 36 8.467 2.062 -6.640 1.00 6.36 C ATOM 566 O ILE A 36 7.266 1.796 -6.641 1.00 6.18 O ATOM 567 CB ILE A 36 8.574 3.622 -4.763 1.00 7.47 C ATOM 568 CG1 ILE A 36 8.665 5.104 -4.362 1.00 8.52 C ATOM 569 CG2 ILE A 36 9.381 2.650 -3.887 1.00 7.36 C ATOM 570 CD1 ILE A 36 10.084 5.622 -4.595 1.00 9.49 C ATOM 0 H ILE A 36 7.232 4.442 -6.864 1.00 5.86 H new ATOM 0 HA ILE A 36 9.967 3.535 -6.354 1.00 6.07 H new ATOM 0 HB ILE A 36 7.532 3.358 -4.582 1.00 7.47 H new ATOM 0 HG12 ILE A 36 7.955 5.691 -4.944 1.00 8.52 H new ATOM 0 HG13 ILE A 36 8.393 5.223 -3.313 1.00 8.52 H new ATOM 0 HG21 ILE A 36 9.132 2.813 -2.838 1.00 7.36 H new ATOM 0 HG22 ILE A 36 9.138 1.624 -4.163 1.00 7.36 H new ATOM 0 HG23 ILE A 36 10.447 2.823 -4.038 1.00 7.36 H new ATOM 0 HD11 ILE A 36 10.140 6.672 -4.308 1.00 9.49 H new ATOM 0 HD12 ILE A 36 10.786 5.044 -3.993 1.00 9.49 H new ATOM 0 HD13 ILE A 36 10.340 5.520 -5.650 1.00 9.49 H new ATOM 582 N PRO A 37 9.335 1.153 -6.971 1.00 8.65 N ATOM 583 CA PRO A 37 8.895 -0.106 -7.497 1.00 9.18 C ATOM 584 C PRO A 37 8.346 -1.084 -6.516 1.00 9.85 C ATOM 585 O PRO A 37 8.517 -0.797 -5.332 1.00 8.51 O ATOM 586 CB PRO A 37 9.979 -0.753 -8.357 1.00 11.42 C ATOM 587 CG PRO A 37 10.739 0.515 -8.775 1.00 9.27 C ATOM 588 CD PRO A 37 10.650 1.418 -7.534 1.00 8.33 C ATOM 0 HA PRO A 37 8.035 0.162 -8.111 1.00 9.18 H new ATOM 0 HB2 PRO A 37 10.601 -1.451 -7.797 1.00 11.42 H new ATOM 0 HB3 PRO A 37 9.572 -1.300 -9.207 1.00 11.42 H new ATOM 0 HG2 PRO A 37 11.774 0.294 -9.036 1.00 9.27 H new ATOM 0 HG3 PRO A 37 10.284 0.986 -9.646 1.00 9.27 H new ATOM 0 HD2 PRO A 37 11.440 1.186 -6.819 1.00 8.33 H new ATOM 0 HD3 PRO A 37 10.761 2.469 -7.801 1.00 8.33 H new ATOM 596 N PRO A 38 7.695 -2.170 -6.809 1.00 8.71 N ATOM 597 CA PRO A 38 6.997 -3.021 -5.890 1.00 9.08 C ATOM 598 C PRO A 38 7.838 -3.699 -4.863 1.00 9.28 C ATOM 599 O PRO A 38 7.321 -3.878 -3.762 1.00 6.50 O ATOM 600 CB PRO A 38 6.309 -4.083 -6.745 1.00 10.31 C ATOM 601 CG PRO A 38 6.029 -3.324 -8.052 1.00 10.81 C ATOM 602 CD PRO A 38 7.037 -2.165 -8.106 1.00 12.00 C ATOM 0 HA PRO A 38 6.319 -2.393 -5.312 1.00 9.08 H new ATOM 0 HB2 PRO A 38 6.949 -4.950 -6.908 1.00 10.31 H new ATOM 0 HB3 PRO A 38 5.392 -4.446 -6.282 1.00 10.31 H new ATOM 0 HG2 PRO A 38 6.145 -3.980 -8.915 1.00 10.81 H new ATOM 0 HG3 PRO A 38 5.005 -2.950 -8.072 1.00 10.81 H new ATOM 0 HD2 PRO A 38 7.756 -2.306 -8.913 1.00 12.00 H new ATOM 0 HD3 PRO A 38 6.535 -1.215 -8.289 1.00 12.00 H new ATOM 610 N ASP A 39 9.154 -3.937 -5.006 1.00 11.20 N ATOM 611 CA ASP A 39 9.930 -4.540 -3.968 1.00 14.96 C ATOM 612 C ASP A 39 10.516 -3.530 -3.042 1.00 13.99 C ATOM 613 O ASP A 39 10.874 -3.821 -1.902 1.00 13.75 O ATOM 614 CB ASP A 39 11.004 -5.390 -4.669 1.00 24.16 C ATOM 615 CG ASP A 39 10.422 -6.462 -5.579 1.00 31.06 C ATOM 616 OD1 ASP A 39 9.738 -7.443 -5.181 1.00 34.22 O ATOM 617 OD2 ASP A 39 10.689 -6.279 -6.797 1.00 35.55 O ATOM 0 H ASP A 39 9.684 -3.710 -5.847 1.00 11.20 H new ATOM 0 HA ASP A 39 9.305 -5.164 -3.329 1.00 14.96 H new ATOM 0 HB2 ASP A 39 11.650 -4.736 -5.256 1.00 24.16 H new ATOM 0 HB3 ASP A 39 11.632 -5.865 -3.915 1.00 24.16 H new ATOM 622 N GLN A 40 10.661 -2.265 -3.474 1.00 11.60 N ATOM 623 CA GLN A 40 11.275 -1.258 -2.665 1.00 10.76 C ATOM 624 C GLN A 40 10.445 -0.714 -1.553 1.00 8.01 C ATOM 625 O GLN A 40 11.074 -0.081 -0.706 1.00 8.96 O ATOM 626 CB GLN A 40 11.647 -0.128 -3.640 1.00 11.14 C ATOM 627 CG GLN A 40 12.650 -0.625 -4.682 1.00 14.85 C ATOM 628 CD GLN A 40 13.552 0.501 -5.167 1.00 16.11 C ATOM 629 OE1 GLN A 40 13.168 1.669 -5.128 1.00 20.52 O ATOM 630 NE2 GLN A 40 14.807 0.190 -5.590 1.00 18.16 N ATOM 0 H GLN A 40 10.351 -1.938 -4.389 1.00 11.60 H new ATOM 0 HA GLN A 40 12.123 -1.708 -2.149 1.00 10.76 H new ATOM 0 HB2 GLN A 40 10.750 0.240 -4.138 1.00 11.14 H new ATOM 0 HB3 GLN A 40 12.073 0.710 -3.088 1.00 11.14 H new ATOM 0 HG2 GLN A 40 13.258 -1.421 -4.253 1.00 14.85 H new ATOM 0 HG3 GLN A 40 12.114 -1.054 -5.529 1.00 14.85 H new ATOM 0 HE21 GLN A 40 15.110 -0.784 -5.616 1.00 18.16 H new ATOM 0 HE22 GLN A 40 15.445 0.931 -5.881 1.00 18.16 H new ATOM 639 N GLN A 41 9.145 -1.053 -1.512 1.00 6.52 N ATOM 640 CA GLN A 41 8.160 -0.432 -0.681 1.00 3.87 C ATOM 641 C GLN A 41 7.621 -1.303 0.401 1.00 4.79 C ATOM 642 O GLN A 41 7.593 -2.521 0.235 1.00 6.34 O ATOM 643 CB GLN A 41 6.863 0.030 -1.366 1.00 4.20 C ATOM 644 CG GLN A 41 6.407 -0.889 -2.502 1.00 3.20 C ATOM 645 CD GLN A 41 5.341 -0.137 -3.286 1.00 4.89 C ATOM 646 OE1 GLN A 41 4.149 -0.100 -2.988 1.00 5.21 O ATOM 647 NE2 GLN A 41 5.843 0.348 -4.454 1.00 7.13 N ATOM 0 H GLN A 41 8.760 -1.800 -2.090 1.00 6.52 H new ATOM 0 HA GLN A 41 8.763 0.406 -0.331 1.00 3.87 H new ATOM 0 HB2 GLN A 41 6.071 0.092 -0.620 1.00 4.20 H new ATOM 0 HB3 GLN A 41 7.009 1.036 -1.760 1.00 4.20 H new ATOM 0 HG2 GLN A 41 7.246 -1.150 -3.146 1.00 3.20 H new ATOM 0 HG3 GLN A 41 6.007 -1.822 -2.105 1.00 3.20 H new ATOM 0 HE21 GLN A 41 6.843 0.288 -4.643 1.00 7.13 H new ATOM 0 HE22 GLN A 41 5.219 0.772 -5.140 1.00 7.13 H new ATOM 656 N ARG A 42 7.186 -0.775 1.559 1.00 5.73 N ATOM 657 CA ARG A 42 6.721 -1.539 2.675 1.00 6.97 C ATOM 658 C ARG A 42 5.375 -1.047 3.084 1.00 7.15 C ATOM 659 O ARG A 42 5.276 -0.064 3.817 1.00 7.33 O ATOM 660 CB ARG A 42 7.641 -1.423 3.901 1.00 13.23 C ATOM 661 CG ARG A 42 9.057 -1.927 3.615 1.00 21.27 C ATOM 662 CD ARG A 42 10.058 -1.790 4.764 1.00 26.14 C ATOM 663 NE ARG A 42 9.681 -2.598 5.958 1.00 32.26 N ATOM 664 CZ ARG A 42 9.907 -2.347 7.280 1.00 34.32 C ATOM 665 NH1 ARG A 42 10.588 -1.287 7.805 1.00 35.30 N ATOM 666 NH2 ARG A 42 9.291 -3.181 8.169 1.00 36.39 N ATOM 0 H ARG A 42 7.157 0.231 1.725 1.00 5.73 H new ATOM 0 HA ARG A 42 6.698 -2.580 2.352 1.00 6.97 H new ATOM 0 HB2 ARG A 42 7.686 -0.382 4.221 1.00 13.23 H new ATOM 0 HB3 ARG A 42 7.215 -1.992 4.727 1.00 13.23 H new ATOM 0 HG2 ARG A 42 8.998 -2.978 3.333 1.00 21.27 H new ATOM 0 HG3 ARG A 42 9.447 -1.387 2.752 1.00 21.27 H new ATOM 0 HD2 ARG A 42 11.045 -2.099 4.419 1.00 26.14 H new ATOM 0 HD3 ARG A 42 10.134 -0.741 5.050 1.00 26.14 H new ATOM 0 HE ARG A 42 9.181 -3.465 5.758 1.00 32.26 H new ATOM 0 HH11 ARG A 42 10.989 -0.582 7.187 1.00 35.30 H new ATOM 0 HH12 ARG A 42 10.696 -1.200 8.816 1.00 35.30 H new ATOM 0 HH21 ARG A 42 8.701 -3.941 7.831 1.00 36.39 H new ATOM 0 HH22 ARG A 42 9.421 -3.044 9.171 1.00 36.39 H new ATOM 680 N LEU A 43 4.306 -1.669 2.556 1.00 4.65 N ATOM 681 CA LEU A 43 2.980 -1.383 3.007 1.00 3.51 C ATOM 682 C LEU A 43 2.596 -2.112 4.248 1.00 5.56 C ATOM 683 O LEU A 43 2.252 -3.291 4.169 1.00 4.19 O ATOM 684 CB LEU A 43 1.949 -1.503 1.871 1.00 3.74 C ATOM 685 CG LEU A 43 2.306 -0.654 0.639 1.00 6.32 C ATOM 686 CD1 LEU A 43 1.287 -0.998 -0.460 1.00 6.41 C ATOM 687 CD2 LEU A 43 2.089 0.833 0.969 1.00 9.55 C ATOM 0 H LEU A 43 4.360 -2.370 1.817 1.00 4.65 H new ATOM 0 HA LEU A 43 2.980 -0.335 3.308 1.00 3.51 H new ATOM 0 HB2 LEU A 43 1.866 -2.548 1.573 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.971 -1.199 2.243 1.00 3.74 H new ATOM 0 HG LEU A 43 3.337 -0.844 0.340 1.00 6.32 H new ATOM 0 HD11 LEU A 43 1.506 -0.415 -1.354 1.00 6.41 H new ATOM 0 HD12 LEU A 43 1.350 -2.060 -0.695 1.00 6.41 H new ATOM 0 HD13 LEU A 43 0.282 -0.763 -0.111 1.00 6.41 H new ATOM 0 HD21 LEU A 43 2.341 1.439 0.099 1.00 9.55 H new ATOM 0 HD22 LEU A 43 1.045 0.998 1.236 1.00 9.55 H new ATOM 0 HD23 LEU A 43 2.727 1.117 1.806 1.00 9.55 H new ATOM 699 N ILE A 44 2.831 -1.487 5.415 1.00 4.58 N ATOM 700 CA ILE A 44 2.542 -2.119 6.665 1.00 5.55 C ATOM 701 C ILE A 44 1.156 -1.789 7.100 1.00 5.46 C ATOM 702 O ILE A 44 0.795 -0.613 7.085 1.00 6.04 O ATOM 703 CB ILE A 44 3.545 -1.718 7.705 1.00 6.80 C ATOM 704 CG1 ILE A 44 4.986 -2.097 7.324 1.00 10.31 C ATOM 705 CG2 ILE A 44 3.185 -2.331 9.069 1.00 7.39 C ATOM 706 CD1 ILE A 44 5.904 -1.694 8.477 1.00 13.90 C ATOM 0 H ILE A 44 3.220 -0.547 5.494 1.00 4.58 H new ATOM 0 HA ILE A 44 2.611 -3.199 6.536 1.00 5.55 H new ATOM 0 HB ILE A 44 3.504 -0.631 7.770 1.00 6.80 H new ATOM 0 HG12 ILE A 44 5.060 -3.168 7.135 1.00 10.31 H new ATOM 0 HG13 ILE A 44 5.283 -1.590 6.406 1.00 10.31 H new ATOM 0 HG21 ILE A 44 3.925 -2.029 9.810 1.00 7.39 H new ATOM 0 HG22 ILE A 44 2.199 -1.982 9.376 1.00 7.39 H new ATOM 0 HG23 ILE A 44 3.176 -3.418 8.988 1.00 7.39 H new ATOM 0 HD11 ILE A 44 6.934 -1.953 8.230 1.00 13.90 H new ATOM 0 HD12 ILE A 44 5.830 -0.619 8.642 1.00 13.90 H new ATOM 0 HD13 ILE A 44 5.604 -2.222 9.382 1.00 13.90 H new ATOM 718 N PHE A 45 0.373 -2.767 7.591 1.00 6.75 N ATOM 719 CA PHE A 45 -0.970 -2.598 8.052 1.00 4.70 C ATOM 720 C PHE A 45 -0.947 -3.081 9.461 1.00 6.34 C ATOM 721 O PHE A 45 -0.826 -4.272 9.744 1.00 5.45 O ATOM 722 CB PHE A 45 -2.016 -3.425 7.286 1.00 5.51 C ATOM 723 CG PHE A 45 -3.376 -2.862 7.511 1.00 5.98 C ATOM 724 CD1 PHE A 45 -3.681 -1.620 7.004 1.00 6.86 C ATOM 725 CD2 PHE A 45 -4.316 -3.578 8.215 1.00 5.87 C ATOM 726 CE1 PHE A 45 -4.914 -1.058 7.236 1.00 6.68 C ATOM 727 CE2 PHE A 45 -5.554 -3.002 8.380 1.00 6.64 C ATOM 728 CZ PHE A 45 -5.907 -1.783 7.852 1.00 6.84 C ATOM 0 H PHE A 45 0.697 -3.731 7.670 1.00 6.75 H new ATOM 0 HA PHE A 45 -1.262 -1.556 7.919 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -1.784 -3.423 6.221 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -1.984 -4.463 7.617 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -2.948 -1.083 6.420 1.00 6.86 H new ATOM 0 HD2 PHE A 45 -4.091 -4.553 8.622 1.00 5.87 H new ATOM 0 HE1 PHE A 45 -5.104 -0.039 6.932 1.00 6.68 H new ATOM 0 HE2 PHE A 45 -6.292 -3.539 8.958 1.00 6.64 H new ATOM 0 HZ PHE A 45 -6.919 -1.411 7.918 1.00 6.84 H new ATOM 738 N ALA A 46 -1.138 -2.188 10.449 1.00 6.53 N ATOM 739 CA ALA A 46 -0.954 -2.399 11.852 1.00 7.15 C ATOM 740 C ALA A 46 0.414 -2.879 12.194 1.00 9.00 C ATOM 741 O ALA A 46 1.375 -2.115 12.119 1.00 11.15 O ATOM 742 CB ALA A 46 -2.066 -3.335 12.356 1.00 8.99 C ATOM 0 H ALA A 46 -1.448 -1.237 10.247 1.00 6.53 H new ATOM 0 HA ALA A 46 -1.036 -1.443 12.369 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -1.940 -3.507 13.425 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -3.038 -2.876 12.174 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -2.009 -4.286 11.827 1.00 8.99 H new ATOM 748 N GLY A 47 0.551 -4.158 12.589 1.00 9.35 N ATOM 749 CA GLY A 47 1.810 -4.826 12.698 1.00 11.68 C ATOM 750 C GLY A 47 2.283 -5.580 11.502 1.00 11.14 C ATOM 751 O GLY A 47 3.482 -5.856 11.489 1.00 13.93 O ATOM 0 H GLY A 47 -0.243 -4.747 12.841 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.567 -4.083 12.951 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.753 -5.521 13.536 1.00 11.68 H new ATOM 755 N LYS A 48 1.404 -5.947 10.553 1.00 10.47 N ATOM 756 CA LYS A 48 1.663 -6.907 9.525 1.00 8.82 C ATOM 757 C LYS A 48 1.886 -6.318 8.174 1.00 7.68 C ATOM 758 O LYS A 48 1.349 -5.270 7.822 1.00 6.47 O ATOM 759 CB LYS A 48 0.579 -7.997 9.470 1.00 9.74 C ATOM 760 CG LYS A 48 -0.841 -7.623 9.041 1.00 14.14 C ATOM 761 CD LYS A 48 -1.898 -8.611 9.540 1.00 16.32 C ATOM 762 CE LYS A 48 -1.801 -9.930 8.771 1.00 20.04 C ATOM 763 NZ LYS A 48 -2.847 -10.916 9.123 1.00 23.92 N ATOM 0 H LYS A 48 0.464 -5.554 10.500 1.00 10.47 H new ATOM 0 HA LYS A 48 2.609 -7.367 9.812 1.00 8.82 H new ATOM 0 HB2 LYS A 48 0.931 -8.775 8.792 1.00 9.74 H new ATOM 0 HB3 LYS A 48 0.514 -8.444 10.462 1.00 9.74 H new ATOM 0 HG2 LYS A 48 -1.077 -6.627 9.416 1.00 14.14 H new ATOM 0 HG3 LYS A 48 -0.884 -7.572 7.953 1.00 14.14 H new ATOM 0 HD2 LYS A 48 -1.760 -8.793 10.606 1.00 16.32 H new ATOM 0 HD3 LYS A 48 -2.893 -8.183 9.416 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -1.860 -9.720 7.703 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -0.823 -10.374 8.955 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -2.713 -11.780 8.560 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 -2.780 -11.147 10.135 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 -3.785 -10.514 8.922 1.00 23.92 H new ATOM 777 N GLN A 49 2.945 -6.830 7.521 1.00 8.89 N ATOM 778 CA GLN A 49 3.203 -6.611 6.131 1.00 7.18 C ATOM 779 C GLN A 49 2.260 -7.362 5.255 1.00 8.23 C ATOM 780 O GLN A 49 1.901 -8.521 5.456 1.00 9.70 O ATOM 781 CB GLN A 49 4.675 -7.004 5.920 1.00 11.67 C ATOM 782 CG GLN A 49 5.083 -8.464 5.716 1.00 15.82 C ATOM 783 CD GLN A 49 6.604 -8.446 5.713 1.00 20.21 C ATOM 784 OE1 GLN A 49 7.208 -8.154 6.745 1.00 23.23 O ATOM 785 NE2 GLN A 49 7.358 -8.710 4.612 1.00 20.67 N ATOM 0 H GLN A 49 3.645 -7.416 7.976 1.00 8.89 H new ATOM 0 HA GLN A 49 3.039 -5.571 5.850 1.00 7.18 H new ATOM 0 HB2 GLN A 49 5.031 -6.449 5.052 1.00 11.67 H new ATOM 0 HB3 GLN A 49 5.230 -6.636 6.783 1.00 11.67 H new ATOM 0 HG2 GLN A 49 4.697 -9.098 6.514 1.00 15.82 H new ATOM 0 HG3 GLN A 49 4.690 -8.857 4.778 1.00 15.82 H new ATOM 0 HE21 GLN A 49 6.906 -8.957 3.732 1.00 20.67 H new ATOM 0 HE22 GLN A 49 8.375 -8.661 4.667 1.00 20.67 H new ATOM 794 N LEU A 50 1.810 -6.675 4.190 1.00 6.51 N ATOM 795 CA LEU A 50 0.748 -7.046 3.307 1.00 7.41 C ATOM 796 C LEU A 50 1.277 -7.664 2.058 1.00 8.27 C ATOM 797 O LEU A 50 2.342 -7.279 1.577 1.00 8.34 O ATOM 798 CB LEU A 50 -0.078 -5.847 2.811 1.00 7.13 C ATOM 799 CG LEU A 50 -0.882 -5.027 3.833 1.00 7.53 C ATOM 800 CD1 LEU A 50 -1.562 -3.837 3.135 1.00 9.11 C ATOM 801 CD2 LEU A 50 -1.864 -5.939 4.589 1.00 8.14 C ATOM 0 H LEU A 50 2.227 -5.782 3.925 1.00 6.51 H new ATOM 0 HA LEU A 50 0.137 -7.727 3.899 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.603 -5.164 2.303 1.00 7.13 H new ATOM 0 HB3 LEU A 50 -0.777 -6.216 2.061 1.00 7.13 H new ATOM 0 HG LEU A 50 -0.215 -4.605 4.584 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -2.129 -3.262 3.867 1.00 9.11 H new ATOM 0 HD12 LEU A 50 -0.803 -3.199 2.681 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -2.236 -4.205 2.362 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -2.428 -5.348 5.310 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -2.552 -6.400 3.880 1.00 8.14 H new ATOM 0 HD23 LEU A 50 -1.308 -6.717 5.113 1.00 8.14 H new ATOM 813 N GLU A 51 0.588 -8.697 1.542 1.00 9.43 N ATOM 814 CA GLU A 51 1.119 -9.554 0.528 1.00 11.90 C ATOM 815 C GLU A 51 0.309 -9.539 -0.723 1.00 11.49 C ATOM 816 O GLU A 51 -0.915 -9.421 -0.737 1.00 9.88 O ATOM 817 CB GLU A 51 1.200 -11.001 1.040 1.00 16.56 C ATOM 818 CG GLU A 51 2.040 -11.140 2.312 1.00 26.06 C ATOM 819 CD GLU A 51 2.108 -12.569 2.830 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.113 -13.020 3.458 1.00 32.13 O ATOM 821 OE2 GLU A 51 3.096 -13.307 2.573 1.00 33.44 O ATOM 0 H GLU A 51 -0.358 -8.942 1.835 1.00 9.43 H new ATOM 0 HA GLU A 51 2.113 -9.171 0.294 1.00 11.90 H new ATOM 0 HB2 GLU A 51 0.192 -11.368 1.235 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.625 -11.633 0.260 1.00 16.56 H new ATOM 0 HG2 GLU A 51 3.051 -10.784 2.113 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.622 -10.498 3.088 1.00 26.06 H new ATOM 828 N ASP A 52 1.091 -9.463 -1.815 1.00 12.71 N ATOM 829 CA ASP A 52 0.745 -9.051 -3.140 1.00 16.56 C ATOM 830 C ASP A 52 -0.489 -9.729 -3.628 1.00 15.83 C ATOM 831 O ASP A 52 -1.413 -8.973 -3.922 1.00 17.21 O ATOM 832 CB ASP A 52 1.916 -9.151 -4.132 1.00 21.05 C ATOM 833 CG ASP A 52 3.100 -8.351 -3.609 1.00 25.12 C ATOM 834 OD1 ASP A 52 3.812 -8.804 -2.675 1.00 25.82 O ATOM 835 OD2 ASP A 52 3.396 -7.306 -4.248 1.00 28.37 O ATOM 0 H ASP A 52 2.076 -9.720 -1.759 1.00 12.71 H new ATOM 0 HA ASP A 52 0.514 -7.987 -3.080 1.00 16.56 H new ATOM 0 HB2 ASP A 52 2.201 -10.194 -4.269 1.00 21.05 H new ATOM 0 HB3 ASP A 52 1.612 -8.773 -5.108 1.00 21.05 H new ATOM 840 N GLY A 53 -0.623 -11.063 -3.735 1.00 15.00 N ATOM 841 CA GLY A 53 -1.801 -11.604 -4.339 1.00 11.77 C ATOM 842 C GLY A 53 -3.131 -11.595 -3.667 1.00 11.10 C ATOM 843 O GLY A 53 -4.122 -11.950 -4.303 1.00 11.25 O ATOM 0 H GLY A 53 0.061 -11.749 -3.415 1.00 15.00 H new ATOM 0 HA2 GLY A 53 -1.930 -11.084 -5.288 1.00 11.77 H new ATOM 0 HA3 GLY A 53 -1.579 -12.645 -4.574 1.00 11.77 H new ATOM 847 N ARG A 54 -3.097 -11.237 -2.371 1.00 8.53 N ATOM 848 CA ARG A 54 -4.325 -11.080 -1.656 1.00 9.05 C ATOM 849 C ARG A 54 -5.030 -9.790 -1.894 1.00 8.96 C ATOM 850 O ARG A 54 -4.414 -8.752 -2.130 1.00 11.60 O ATOM 851 CB ARG A 54 -4.025 -11.312 -0.165 1.00 7.97 C ATOM 852 CG ARG A 54 -3.568 -12.706 0.269 1.00 9.62 C ATOM 853 CD ARG A 54 -4.714 -13.710 0.125 1.00 12.20 C ATOM 854 NE ARG A 54 -4.269 -15.004 0.715 1.00 18.23 N ATOM 855 CZ ARG A 54 -5.079 -15.717 1.551 1.00 22.08 C ATOM 856 NH1 ARG A 54 -6.112 -15.094 2.191 1.00 23.38 N ATOM 857 NH2 ARG A 54 -4.888 -17.026 1.887 1.00 25.50 N ATOM 0 H ARG A 54 -2.249 -11.061 -1.832 1.00 8.53 H new ATOM 0 HA ARG A 54 -5.033 -11.818 -2.033 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -3.256 -10.600 0.135 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -4.925 -11.065 0.399 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -2.720 -13.023 -0.337 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -3.228 -12.679 1.304 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -5.606 -13.346 0.634 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -4.977 -13.840 -0.925 1.00 12.20 H new ATOM 0 HE ARG A 54 -3.341 -15.364 0.490 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -6.277 -14.098 2.044 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -6.719 -15.624 2.816 1.00 23.38 H new ATOM 0 HH21 ARG A 54 -4.094 -17.540 1.505 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -5.539 -17.490 2.520 1.00 25.50 H new ATOM 871 N THR A 55 -6.354 -9.817 -1.653 1.00 9.05 N ATOM 872 CA THR A 55 -7.151 -8.662 -1.928 1.00 9.03 C ATOM 873 C THR A 55 -7.266 -7.854 -0.681 1.00 8.15 C ATOM 874 O THR A 55 -6.794 -8.130 0.421 1.00 5.91 O ATOM 875 CB THR A 55 -8.540 -8.920 -2.433 1.00 11.15 C ATOM 876 OG1 THR A 55 -9.391 -9.513 -1.463 1.00 11.95 O ATOM 877 CG2 THR A 55 -8.465 -9.848 -3.657 1.00 11.71 C ATOM 0 H THR A 55 -6.862 -10.617 -1.277 1.00 9.05 H new ATOM 0 HA THR A 55 -6.630 -8.151 -2.737 1.00 9.03 H new ATOM 0 HB THR A 55 -8.968 -7.951 -2.688 1.00 11.15 H new ATOM 0 HG1 THR A 55 -10.214 -8.987 -1.384 1.00 11.95 H new ATOM 0 HG21 THR A 55 -9.471 -10.040 -4.030 1.00 11.71 H new ATOM 0 HG22 THR A 55 -7.873 -9.372 -4.439 1.00 11.71 H new ATOM 0 HG23 THR A 55 -7.998 -10.790 -3.371 1.00 11.71 H new ATOM 885 N LEU A 56 -7.792 -6.636 -0.899 1.00 6.91 N ATOM 886 CA LEU A 56 -7.941 -5.631 0.108 1.00 8.29 C ATOM 887 C LEU A 56 -9.054 -6.077 0.994 1.00 8.05 C ATOM 888 O LEU A 56 -8.982 -5.875 2.205 1.00 10.17 O ATOM 889 CB LEU A 56 -8.297 -4.296 -0.567 1.00 6.60 C ATOM 890 CG LEU A 56 -7.084 -3.727 -1.322 1.00 7.73 C ATOM 891 CD1 LEU A 56 -7.488 -3.059 -2.647 1.00 8.64 C ATOM 892 CD2 LEU A 56 -6.426 -2.683 -0.404 1.00 9.85 C ATOM 0 H LEU A 56 -8.128 -6.339 -1.815 1.00 6.91 H new ATOM 0 HA LEU A 56 -7.025 -5.491 0.683 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -9.126 -4.443 -1.259 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -8.632 -3.581 0.184 1.00 6.60 H new ATOM 0 HG LEU A 56 -6.402 -4.540 -1.570 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -6.599 -2.672 -3.145 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -7.974 -3.792 -3.291 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -8.177 -2.239 -2.446 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -5.558 -2.254 -0.905 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -7.143 -1.893 -0.179 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -6.110 -3.161 0.523 1.00 9.85 H new ATOM 904 N SER A 57 -10.072 -6.627 0.308 1.00 8.92 N ATOM 905 CA SER A 57 -11.161 -7.220 1.021 1.00 9.00 C ATOM 906 C SER A 57 -10.829 -8.408 1.857 1.00 9.44 C ATOM 907 O SER A 57 -11.515 -8.616 2.857 1.00 10.91 O ATOM 908 CB SER A 57 -12.303 -7.626 0.075 1.00 10.32 C ATOM 909 OG SER A 57 -11.870 -8.502 -0.955 1.00 13.59 O ATOM 0 H SER A 57 -10.143 -6.662 -0.709 1.00 8.92 H new ATOM 0 HA SER A 57 -11.459 -6.423 1.702 1.00 9.00 H new ATOM 0 HB2 SER A 57 -13.093 -8.109 0.650 1.00 10.32 H new ATOM 0 HB3 SER A 57 -12.736 -6.731 -0.372 1.00 10.32 H new ATOM 0 HG SER A 57 -12.630 -8.733 -1.529 1.00 13.59 H new ATOM 915 N ASP A 58 -9.815 -9.240 1.560 1.00 9.11 N ATOM 916 CA ASP A 58 -9.228 -10.312 2.303 1.00 7.91 C ATOM 917 C ASP A 58 -8.580 -9.869 3.570 1.00 9.12 C ATOM 918 O ASP A 58 -8.954 -10.366 4.631 1.00 8.61 O ATOM 919 CB ASP A 58 -8.315 -11.117 1.364 1.00 8.41 C ATOM 920 CG ASP A 58 -7.952 -12.395 2.106 1.00 11.50 C ATOM 921 OD1 ASP A 58 -8.850 -13.261 2.283 1.00 11.70 O ATOM 922 OD2 ASP A 58 -6.736 -12.504 2.420 1.00 10.05 O ATOM 0 H ASP A 58 -9.340 -9.140 0.663 1.00 9.11 H new ATOM 0 HA ASP A 58 -10.014 -10.977 2.659 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -8.825 -11.343 0.427 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -7.420 -10.548 1.111 1.00 8.41 H new ATOM 927 N TYR A 59 -7.708 -8.846 3.545 1.00 7.97 N ATOM 928 CA TYR A 59 -7.204 -8.139 4.681 1.00 8.45 C ATOM 929 C TYR A 59 -8.207 -7.362 5.462 1.00 10.98 C ATOM 930 O TYR A 59 -8.112 -7.294 6.686 1.00 12.95 O ATOM 931 CB TYR A 59 -6.103 -7.138 4.291 1.00 7.94 C ATOM 932 CG TYR A 59 -4.907 -7.949 3.926 1.00 6.91 C ATOM 933 CD1 TYR A 59 -4.206 -8.689 4.850 1.00 6.98 C ATOM 934 CD2 TYR A 59 -4.470 -7.970 2.623 1.00 4.59 C ATOM 935 CE1 TYR A 59 -3.055 -9.342 4.477 1.00 6.52 C ATOM 936 CE2 TYR A 59 -3.285 -8.571 2.269 1.00 5.39 C ATOM 937 CZ TYR A 59 -2.541 -9.249 3.205 1.00 6.76 C ATOM 938 OH TYR A 59 -1.554 -10.181 2.820 1.00 7.63 O ATOM 0 H TYR A 59 -7.329 -8.488 2.668 1.00 7.97 H new ATOM 0 HA TYR A 59 -6.833 -8.950 5.308 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -6.422 -6.517 3.454 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -5.878 -6.466 5.119 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -4.560 -8.757 5.868 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -5.072 -7.503 1.858 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -2.538 -9.948 5.207 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -2.936 -8.510 1.249 1.00 5.39 H new ATOM 0 HH TYR A 59 -1.676 -10.415 1.876 1.00 7.63 H new ATOM 948 N ASN A 60 -9.282 -6.826 4.856 1.00 12.38 N ATOM 949 CA ASN A 60 -10.404 -6.100 5.366 1.00 13.94 C ATOM 950 C ASN A 60 -10.064 -4.663 5.560 1.00 14.16 C ATOM 951 O ASN A 60 -10.555 -3.989 6.465 1.00 14.26 O ATOM 952 CB ASN A 60 -11.068 -6.538 6.682 1.00 19.23 C ATOM 953 CG ASN A 60 -11.303 -8.023 6.444 1.00 22.65 C ATOM 954 OD1 ASN A 60 -12.032 -8.400 5.528 1.00 25.45 O ATOM 955 ND2 ASN A 60 -10.771 -8.842 7.390 1.00 24.09 N ATOM 0 H ASN A 60 -9.371 -6.922 3.844 1.00 12.38 H new ATOM 0 HA ASN A 60 -11.129 -6.315 4.581 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -10.423 -6.361 7.542 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -11.999 -6.003 6.866 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -10.969 -9.842 7.369 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -10.174 -8.456 8.121 1.00 24.09 H new ATOM 962 N ILE A 61 -9.325 -4.178 4.547 1.00 11.08 N ATOM 963 CA ILE A 61 -8.961 -2.819 4.290 1.00 11.78 C ATOM 964 C ILE A 61 -10.120 -2.117 3.669 1.00 13.74 C ATOM 965 O ILE A 61 -10.412 -1.990 2.481 1.00 14.60 O ATOM 966 CB ILE A 61 -7.740 -2.723 3.424 1.00 11.80 C ATOM 967 CG1 ILE A 61 -6.543 -3.341 4.166 1.00 11.56 C ATOM 968 CG2 ILE A 61 -7.420 -1.271 3.031 1.00 13.29 C ATOM 969 CD1 ILE A 61 -5.409 -3.726 3.217 1.00 11.42 C ATOM 0 H ILE A 61 -8.945 -4.804 3.837 1.00 11.08 H new ATOM 0 HA ILE A 61 -8.708 -2.337 5.235 1.00 11.78 H new ATOM 0 HB ILE A 61 -7.937 -3.271 2.503 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -6.171 -2.631 4.905 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -6.873 -4.225 4.711 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -6.528 -1.252 2.404 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -8.260 -0.850 2.479 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -7.244 -0.681 3.930 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -4.587 -4.158 3.788 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -5.772 -4.457 2.494 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -5.058 -2.838 2.691 1.00 11.42 H new ATOM 981 N GLN A 62 -10.964 -1.472 4.494 1.00 13.97 N ATOM 982 CA GLN A 62 -12.132 -0.730 4.131 1.00 15.52 C ATOM 983 C GLN A 62 -11.785 0.670 3.755 1.00 13.94 C ATOM 984 O GLN A 62 -10.637 1.081 3.911 1.00 12.15 O ATOM 985 CB GLN A 62 -13.072 -0.680 5.347 1.00 19.53 C ATOM 986 CG GLN A 62 -13.662 -2.063 5.632 1.00 26.38 C ATOM 987 CD GLN A 62 -14.754 -2.371 4.617 1.00 30.61 C ATOM 988 OE1 GLN A 62 -14.648 -2.652 3.425 1.00 33.23 O ATOM 989 NE2 GLN A 62 -16.002 -2.100 5.086 1.00 32.71 N ATOM 0 H GLN A 62 -10.815 -1.471 5.503 1.00 13.97 H new ATOM 0 HA GLN A 62 -12.604 -1.218 3.278 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -12.526 -0.325 6.221 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -13.876 0.033 5.163 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -12.880 -2.821 5.581 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -14.071 -2.094 6.642 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -16.137 -1.862 6.069 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -16.803 -2.135 4.455 1.00 32.71 H new ATOM 998 N LYS A 63 -12.775 1.461 3.304 1.00 11.73 N ATOM 999 CA LYS A 63 -12.616 2.862 3.063 1.00 11.97 C ATOM 1000 C LYS A 63 -12.090 3.669 4.200 1.00 10.41 C ATOM 1001 O LYS A 63 -12.576 3.673 5.330 1.00 9.59 O ATOM 1002 CB LYS A 63 -13.942 3.388 2.490 1.00 13.73 C ATOM 1003 CG LYS A 63 -14.224 4.892 2.507 1.00 16.98 C ATOM 1004 CD LYS A 63 -15.628 5.341 2.097 1.00 20.19 C ATOM 1005 CE LYS A 63 -15.769 6.862 2.193 1.00 23.42 C ATOM 1006 NZ LYS A 63 -15.982 7.377 3.564 1.00 25.97 N ATOM 0 H LYS A 63 -13.713 1.116 3.101 1.00 11.73 H new ATOM 0 HA LYS A 63 -11.811 2.986 2.339 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -14.006 3.055 1.454 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -14.750 2.898 3.033 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -14.031 5.261 3.514 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -13.506 5.379 1.846 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -15.833 5.017 1.077 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -16.368 4.863 2.738 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -14.871 7.323 1.781 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -16.604 7.176 1.567 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -16.201 8.393 3.523 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -16.775 6.869 4.006 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -15.120 7.231 4.127 1.00 25.97 H new ATOM 1020 N GLU A 64 -11.027 4.424 3.868 1.00 10.04 N ATOM 1021 CA GLU A 64 -10.248 5.377 4.596 1.00 10.94 C ATOM 1022 C GLU A 64 -9.235 4.838 5.548 1.00 9.74 C ATOM 1023 O GLU A 64 -8.823 5.515 6.488 1.00 9.42 O ATOM 1024 CB GLU A 64 -11.175 6.460 5.172 1.00 18.31 C ATOM 1025 CG GLU A 64 -11.838 7.368 4.135 1.00 24.16 C ATOM 1026 CD GLU A 64 -12.928 8.248 4.729 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -13.923 7.728 5.302 1.00 31.72 O ATOM 1028 OE2 GLU A 64 -12.744 9.492 4.808 1.00 32.61 O ATOM 0 H GLU A 64 -10.657 4.345 2.921 1.00 10.04 H new ATOM 0 HA GLU A 64 -9.577 5.841 3.873 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -11.955 5.974 5.758 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -10.600 7.080 5.860 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -11.079 8.000 3.674 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -12.265 6.754 3.342 1.00 24.16 H new ATOM 1035 N SER A 65 -8.693 3.642 5.258 1.00 6.85 N ATOM 1036 CA SER A 65 -7.873 2.874 6.142 1.00 6.90 C ATOM 1037 C SER A 65 -6.495 3.433 6.052 1.00 4.72 C ATOM 1038 O SER A 65 -6.041 3.870 4.995 1.00 3.91 O ATOM 1039 CB SER A 65 -7.800 1.363 5.863 1.00 7.28 C ATOM 1040 OG SER A 65 -9.006 0.646 6.085 1.00 10.56 O ATOM 0 H SER A 65 -8.835 3.186 4.357 1.00 6.85 H new ATOM 0 HA SER A 65 -8.330 2.954 7.128 1.00 6.90 H new ATOM 0 HB2 SER A 65 -7.495 1.216 4.827 1.00 7.28 H new ATOM 0 HB3 SER A 65 -7.020 0.932 6.490 1.00 7.28 H new ATOM 0 HG SER A 65 -9.618 0.795 5.334 1.00 10.56 H new ATOM 1046 N THR A 66 -5.691 3.384 7.129 1.00 4.48 N ATOM 1047 CA THR A 66 -4.341 3.856 7.086 1.00 3.80 C ATOM 1048 C THR A 66 -3.366 2.768 6.797 1.00 4.60 C ATOM 1049 O THR A 66 -3.251 1.766 7.502 1.00 5.33 O ATOM 1050 CB THR A 66 -3.888 4.525 8.350 1.00 2.85 C ATOM 1051 OG1 THR A 66 -4.716 5.652 8.597 1.00 2.15 O ATOM 1052 CG2 THR A 66 -2.441 5.045 8.336 1.00 3.40 C ATOM 0 H THR A 66 -5.978 3.015 8.036 1.00 4.48 H new ATOM 0 HA THR A 66 -4.357 4.588 6.278 1.00 3.80 H new ATOM 0 HB THR A 66 -3.951 3.751 9.115 1.00 2.85 H new ATOM 0 HG1 THR A 66 -4.428 6.095 9.423 1.00 2.15 H new ATOM 0 HG21 THR A 66 -2.212 5.511 9.295 1.00 3.40 H new ATOM 0 HG22 THR A 66 -1.757 4.214 8.164 1.00 3.40 H new ATOM 0 HG23 THR A 66 -2.326 5.780 7.539 1.00 3.40 H new ATOM 1060 N LEU A 67 -2.617 2.832 5.681 1.00 4.17 N ATOM 1061 CA LEU A 67 -1.495 1.990 5.405 1.00 3.85 C ATOM 1062 C LEU A 67 -0.284 2.812 5.687 1.00 3.80 C ATOM 1063 O LEU A 67 -0.196 3.942 5.211 1.00 5.54 O ATOM 1064 CB LEU A 67 -1.427 1.487 3.954 1.00 7.18 C ATOM 1065 CG LEU A 67 -2.581 0.539 3.584 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -3.991 1.153 3.606 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -2.261 -0.161 2.253 1.00 8.12 C ATOM 0 H LEU A 67 -2.803 3.503 4.936 1.00 4.17 H new ATOM 0 HA LEU A 67 -1.574 1.095 6.023 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -1.438 2.343 3.279 1.00 7.18 H new ATOM 0 HB3 LEU A 67 -0.479 0.972 3.799 1.00 7.18 H new ATOM 0 HG LEU A 67 -2.635 -0.197 4.386 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -4.723 0.394 3.329 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -4.212 1.522 4.608 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -4.039 1.979 2.897 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -3.078 -0.833 1.990 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -2.139 0.586 1.469 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -1.339 -0.733 2.355 1.00 8.12 H new ATOM 1079 N HIS A 68 0.737 2.230 6.342 1.00 2.94 N ATOM 1080 CA HIS A 68 2.011 2.867 6.468 1.00 4.17 C ATOM 1081 C HIS A 68 3.074 2.453 5.509 1.00 5.32 C ATOM 1082 O HIS A 68 3.512 1.304 5.508 1.00 7.70 O ATOM 1083 CB HIS A 68 2.631 2.595 7.849 1.00 5.57 C ATOM 1084 CG HIS A 68 1.667 2.695 8.993 1.00 9.95 C ATOM 1085 ND1 HIS A 68 1.150 1.546 9.558 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.927 3.721 9.493 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.198 1.961 10.436 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.021 3.269 10.430 1.00 16.30 N ATOM 0 H HIS A 68 0.679 1.314 6.786 1.00 2.94 H new ATOM 0 HA HIS A 68 1.750 3.908 6.276 1.00 4.17 H new ATOM 0 HB2 HIS A 68 3.070 1.597 7.846 1.00 5.57 H new ATOM 0 HB3 HIS A 68 3.445 3.301 8.013 1.00 5.57 H new ATOM 0 HD2 HIS A 68 1.035 4.754 9.196 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -0.357 1.289 11.073 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -0.633 3.818 10.988 1.00 16.30 H new ATOM 1096 N LEU A 69 3.417 3.372 4.588 1.00 5.29 N ATOM 1097 CA LEU A 69 4.403 3.218 3.563 1.00 3.97 C ATOM 1098 C LEU A 69 5.780 3.661 3.919 1.00 5.07 C ATOM 1099 O LEU A 69 6.068 4.850 4.050 1.00 4.34 O ATOM 1100 CB LEU A 69 3.998 3.886 2.239 1.00 6.08 C ATOM 1101 CG LEU A 69 4.958 3.875 1.037 1.00 7.37 C ATOM 1102 CD1 LEU A 69 5.547 2.473 0.809 1.00 9.96 C ATOM 1103 CD2 LEU A 69 4.377 4.393 -0.289 1.00 6.87 C ATOM 0 H LEU A 69 2.972 4.289 4.559 1.00 5.29 H new ATOM 0 HA LEU A 69 4.440 2.135 3.442 1.00 3.97 H new ATOM 0 HB2 LEU A 69 3.068 3.419 1.913 1.00 6.08 H new ATOM 0 HB3 LEU A 69 3.770 4.929 2.460 1.00 6.08 H new ATOM 0 HG LEU A 69 5.733 4.586 1.324 1.00 7.37 H new ATOM 0 HD11 LEU A 69 6.221 2.496 -0.047 1.00 9.96 H new ATOM 0 HD12 LEU A 69 6.098 2.161 1.696 1.00 9.96 H new ATOM 0 HD13 LEU A 69 4.740 1.766 0.616 1.00 9.96 H new ATOM 0 HD21 LEU A 69 5.140 4.340 -1.066 1.00 6.87 H new ATOM 0 HD22 LEU A 69 3.523 3.780 -0.576 1.00 6.87 H new ATOM 0 HD23 LEU A 69 4.056 5.427 -0.166 1.00 6.87 H new ATOM 1115 N VAL A 70 6.633 2.649 4.154 1.00 4.29 N ATOM 1116 CA VAL A 70 8.014 2.829 4.480 1.00 6.26 C ATOM 1117 C VAL A 70 8.685 2.349 3.240 1.00 9.22 C ATOM 1118 O VAL A 70 8.066 1.554 2.534 1.00 9.36 O ATOM 1119 CB VAL A 70 8.471 2.034 5.667 1.00 8.69 C ATOM 1120 CG1 VAL A 70 9.647 2.700 6.401 1.00 9.76 C ATOM 1121 CG2 VAL A 70 7.284 1.758 6.606 1.00 8.54 C ATOM 0 H VAL A 70 6.351 1.669 4.116 1.00 4.29 H new ATOM 0 HA VAL A 70 8.235 3.858 4.763 1.00 6.26 H new ATOM 0 HB VAL A 70 8.851 1.078 5.306 1.00 8.69 H new ATOM 0 HG11 VAL A 70 9.940 2.085 7.252 1.00 9.76 H new ATOM 0 HG12 VAL A 70 10.491 2.801 5.719 1.00 9.76 H new ATOM 0 HG13 VAL A 70 9.345 3.686 6.753 1.00 9.76 H new ATOM 0 HG21 VAL A 70 7.626 1.180 7.465 1.00 8.54 H new ATOM 0 HG22 VAL A 70 6.864 2.704 6.949 1.00 8.54 H new ATOM 0 HG23 VAL A 70 6.520 1.194 6.071 1.00 8.54 H new ATOM 1131 N LEU A 71 9.970 2.682 3.020 1.00 12.71 N ATOM 1132 CA LEU A 71 10.844 2.148 2.023 1.00 16.06 C ATOM 1133 C LEU A 71 12.004 1.422 2.614 1.00 18.09 C ATOM 1134 O LEU A 71 12.514 1.908 3.622 1.00 19.26 O ATOM 1135 CB LEU A 71 11.323 3.224 1.034 1.00 17.10 C ATOM 1136 CG LEU A 71 10.482 3.589 -0.201 1.00 19.37 C ATOM 1137 CD1 LEU A 71 9.106 4.186 0.138 1.00 19.57 C ATOM 1138 CD2 LEU A 71 11.264 4.616 -1.038 1.00 17.51 C ATOM 0 H LEU A 71 10.436 3.387 3.591 1.00 12.71 H new ATOM 0 HA LEU A 71 10.252 1.423 1.465 1.00 16.06 H new ATOM 0 HB2 LEU A 71 11.469 4.141 1.605 1.00 17.10 H new ATOM 0 HB3 LEU A 71 12.304 2.914 0.673 1.00 17.10 H new ATOM 0 HG LEU A 71 10.300 2.662 -0.744 1.00 19.37 H new ATOM 0 HD11 LEU A 71 8.573 4.418 -0.784 1.00 19.57 H new ATOM 0 HD12 LEU A 71 8.530 3.466 0.719 1.00 19.57 H new ATOM 0 HD13 LEU A 71 9.238 5.098 0.719 1.00 19.57 H new ATOM 0 HD21 LEU A 71 10.682 4.886 -1.919 1.00 17.51 H new ATOM 0 HD22 LEU A 71 11.451 5.507 -0.439 1.00 17.51 H new ATOM 0 HD23 LEU A 71 12.214 4.183 -1.350 1.00 17.51 H new ATOM 1150 N ARG A 72 12.483 0.345 1.966 1.00 21.47 N ATOM 1151 CA ARG A 72 13.785 -0.224 2.130 1.00 25.83 C ATOM 1152 C ARG A 72 14.935 0.588 1.642 1.00 27.74 C ATOM 1153 O ARG A 72 14.970 1.021 0.491 1.00 30.65 O ATOM 1154 CB ARG A 72 13.828 -1.535 1.327 1.00 28.49 C ATOM 1155 CG ARG A 72 13.102 -2.688 2.024 1.00 31.79 C ATOM 1156 CD ARG A 72 12.807 -3.876 1.106 1.00 34.05 C ATOM 1157 NE ARG A 72 11.984 -4.876 1.843 1.00 35.08 N ATOM 1158 CZ ARG A 72 11.537 -6.032 1.271 1.00 34.67 C ATOM 1159 NH1 ARG A 72 11.387 -6.036 -0.085 1.00 35.02 N ATOM 1160 NH2 ARG A 72 11.391 -7.242 1.885 1.00 34.97 N ATOM 0 H ARG A 72 11.922 -0.162 1.281 1.00 21.47 H new ATOM 0 HA ARG A 72 13.909 -0.325 3.208 1.00 25.83 H new ATOM 0 HB2 ARG A 72 13.379 -1.370 0.348 1.00 28.49 H new ATOM 0 HB3 ARG A 72 14.867 -1.817 1.158 1.00 28.49 H new ATOM 0 HG2 ARG A 72 13.706 -3.031 2.864 1.00 31.79 H new ATOM 0 HG3 ARG A 72 12.164 -2.318 2.437 1.00 31.79 H new ATOM 0 HD2 ARG A 72 12.278 -3.539 0.215 1.00 34.05 H new ATOM 0 HD3 ARG A 72 13.739 -4.331 0.771 1.00 34.05 H new ATOM 0 HE ARG A 72 11.744 -4.689 2.817 1.00 35.08 H new ATOM 0 HH11 ARG A 72 11.606 -5.199 -0.625 1.00 35.02 H new ATOM 0 HH12 ARG A 72 11.056 -6.876 -0.559 1.00 35.02 H new ATOM 0 HH21 ARG A 72 11.627 -7.345 2.872 1.00 34.97 H new ATOM 0 HH22 ARG A 72 11.046 -8.044 1.357 1.00 34.97 H new ATOM 1174 N LEU A 73 15.963 0.833 2.474 1.00 28.93 N ATOM 1175 CA LEU A 73 17.205 1.447 2.120 1.00 30.76 C ATOM 1176 C LEU A 73 17.965 0.601 1.158 1.00 32.18 C ATOM 1177 O LEU A 73 18.263 1.116 0.081 1.00 32.31 O ATOM 1178 CB LEU A 73 18.094 1.698 3.350 1.00 30.53 C ATOM 1179 CG LEU A 73 19.236 2.702 3.123 1.00 30.16 C ATOM 1180 CD1 LEU A 73 18.839 4.169 2.884 1.00 29.11 C ATOM 1181 CD2 LEU A 73 20.109 2.685 4.390 1.00 29.57 C ATOM 0 H LEU A 73 15.922 0.584 3.462 1.00 28.93 H new ATOM 0 HA LEU A 73 16.953 2.403 1.660 1.00 30.76 H new ATOM 0 HB2 LEU A 73 17.468 2.059 4.166 1.00 30.53 H new ATOM 0 HB3 LEU A 73 18.522 0.749 3.672 1.00 30.53 H new ATOM 0 HG LEU A 73 19.724 2.376 2.205 1.00 30.16 H new ATOM 0 HD11 LEU A 73 19.737 4.770 2.739 1.00 29.11 H new ATOM 0 HD12 LEU A 73 18.210 4.236 1.996 1.00 29.11 H new ATOM 0 HD13 LEU A 73 18.289 4.542 3.748 1.00 29.11 H new ATOM 0 HD21 LEU A 73 20.935 3.386 4.272 1.00 29.57 H new ATOM 0 HD22 LEU A 73 19.507 2.975 5.251 1.00 29.57 H new ATOM 0 HD23 LEU A 73 20.504 1.681 4.546 1.00 29.57 H new ATOM 1193 N ARG A 74 18.157 -0.701 1.436 1.00 33.82 N ATOM 1194 CA ARG A 74 18.928 -1.594 0.627 1.00 35.33 C ATOM 1195 C ARG A 74 18.029 -2.636 0.057 1.00 36.22 C ATOM 1196 O ARG A 74 17.685 -2.599 -1.124 1.00 36.70 O ATOM 1197 CB ARG A 74 20.178 -2.117 1.354 1.00 36.91 C ATOM 1198 CG ARG A 74 21.438 -2.443 0.548 1.00 38.62 C ATOM 1199 CD ARG A 74 21.619 -3.828 -0.076 1.00 39.75 C ATOM 1200 NE ARG A 74 20.440 -4.006 -0.969 1.00 41.13 N ATOM 1201 CZ ARG A 74 19.829 -5.195 -1.248 1.00 41.91 C ATOM 1202 NH1 ARG A 74 19.937 -6.257 -0.398 1.00 42.75 N ATOM 1203 NH2 ARG A 74 18.963 -5.336 -2.293 1.00 41.93 N ATOM 0 H ARG A 74 17.758 -1.151 2.260 1.00 33.82 H new ATOM 0 HA ARG A 74 19.354 -1.057 -0.221 1.00 35.33 H new ATOM 0 HB2 ARG A 74 20.453 -1.376 2.105 1.00 36.91 H new ATOM 0 HB3 ARG A 74 19.890 -3.022 1.890 1.00 36.91 H new ATOM 0 HG2 ARG A 74 21.501 -1.714 -0.260 1.00 38.62 H new ATOM 0 HG3 ARG A 74 22.293 -2.269 1.202 1.00 38.62 H new ATOM 0 HD2 ARG A 74 22.552 -3.889 -0.637 1.00 39.75 H new ATOM 0 HD3 ARG A 74 21.655 -4.604 0.689 1.00 39.75 H new ATOM 0 HE ARG A 74 20.057 -3.169 -1.409 1.00 41.13 H new ATOM 0 HH11 ARG A 74 20.480 -6.170 0.461 1.00 42.75 H new ATOM 0 HH12 ARG A 74 19.474 -7.138 -0.621 1.00 42.75 H new ATOM 0 HH21 ARG A 74 18.755 -4.539 -2.894 1.00 41.93 H new ATOM 0 HH22 ARG A 74 18.524 -6.239 -2.473 1.00 41.93 H new ATOM 1217 N GLY A 75 17.571 -3.517 0.964 1.00 36.31 N ATOM 1218 CA GLY A 75 16.724 -4.636 0.688 1.00 36.07 C ATOM 1219 C GLY A 75 16.255 -5.118 2.017 1.00 36.16 C ATOM 1220 O GLY A 75 16.022 -4.386 2.978 1.00 36.26 O ATOM 0 H GLY A 75 17.808 -3.442 1.953 1.00 36.31 H new ATOM 0 HA2 GLY A 75 15.884 -4.346 0.057 1.00 36.07 H new ATOM 0 HA3 GLY A 75 17.267 -5.417 0.156 1.00 36.07 H new ATOM 1224 N GLY A 76 16.100 -6.445 2.168 1.00 36.05 N ATOM 1225 CA GLY A 76 15.315 -6.917 3.266 1.00 36.19 C ATOM 1226 C GLY A 76 16.174 -7.228 4.483 1.00 36.20 C ATOM 1227 O GLY A 76 16.208 -6.515 5.521 1.00 36.13 O ATOM 1228 OXT GLY A 76 16.731 -8.356 4.406 1.00 36.27 O ATOM 0 H GLY A 76 16.497 -7.163 1.562 1.00 36.05 H new ATOM 0 HA2 GLY A 76 14.570 -6.166 3.529 1.00 36.19 H new ATOM 0 HA3 GLY A 76 14.772 -7.813 2.966 1.00 36.19 H new TER 1232 GLY A 76