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 55 THR OG1 : rot 130:sc= 1.04 USER MOD Set 1.2: A 57 SER OG : rot -82:sc= 0.894 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 161:sc= 1.17 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 137:sc= 0.732 USER MOD Single : A 1 MET CE :methyl -124:sc=-0.00333 (180deg=-0.181) USER MOD Single : A 1 MET N :NH3+ -149:sc= 2.2 (180deg=1.93) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 7 THR OG1 : rot -76:sc= 1.23 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -128:sc= 1.28 (180deg=0.319) 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 22 THR OG1 : rot -179:sc= -0.238 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -158:sc= 1.27 (180deg=1.03) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 41 GLN : amide:sc= 0.0101 K(o=0.01,f=-2.9) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 59 TYR OH : rot 152:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.12) USER MOD Single : A 63 LYS NZ :NH3+ 149:sc= 1.28 (180deg=1.01) USER MOD Single : A 65 SER OG : rot 101:sc= 1.23 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) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.306 -7.131 -4.626 1.00 9.67 N ATOM 2 CA MET A 1 11.237 -6.954 -3.092 1.00 10.38 C ATOM 3 C MET A 1 9.908 -7.391 -2.496 1.00 9.62 C ATOM 4 O MET A 1 8.842 -7.139 -3.031 1.00 9.62 O ATOM 5 CB MET A 1 11.530 -5.517 -2.744 1.00 13.77 C ATOM 6 CG MET A 1 11.704 -5.344 -1.206 1.00 16.29 C ATOM 7 SD MET A 1 12.153 -3.643 -0.763 1.00 17.17 S ATOM 8 CE MET A 1 10.534 -2.955 -0.910 1.00 16.11 C ATOM 0 H1 MET A 1 12.286 -7.334 -4.908 1.00 9.67 H new ATOM 0 H2 MET A 1 10.693 -7.921 -4.912 1.00 9.67 H new ATOM 0 H3 MET A 1 10.985 -6.258 -5.091 1.00 9.67 H new ATOM 0 HA MET A 1 11.990 -7.608 -2.653 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.436 -5.192 -3.256 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.719 -4.880 -3.097 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.777 -5.617 -0.703 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.474 -6.028 -0.849 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.555 -2.123 -1.614 1.00 16.11 H new ATOM 0 HE2 MET A 1 9.845 -3.719 -1.271 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.201 -2.598 0.064 1.00 16.11 H new ATOM 20 N GLN A 2 10.007 -8.156 -1.393 1.00 9.27 N ATOM 21 CA GLN A 2 8.894 -8.780 -0.857 1.00 9.07 C ATOM 22 C GLN A 2 8.394 -7.986 0.327 1.00 8.72 C ATOM 23 O GLN A 2 9.258 -7.585 1.147 1.00 8.22 O ATOM 24 CB GLN A 2 9.197 -10.210 -0.439 1.00 14.46 C ATOM 25 CG GLN A 2 8.073 -10.939 0.310 1.00 17.01 C ATOM 26 CD GLN A 2 8.507 -12.415 0.489 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.999 -12.776 1.581 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.392 -13.165 -0.600 1.00 19.49 N ATOM 0 H GLN A 2 10.877 -8.327 -0.888 1.00 9.27 H new ATOM 0 HA GLN A 2 8.123 -8.821 -1.627 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.446 -10.785 -1.331 1.00 14.46 H new ATOM 0 HB3 GLN A 2 10.085 -10.203 0.193 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.894 -10.473 1.279 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.139 -10.880 -0.250 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.974 -12.776 -1.445 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.721 -14.130 -0.592 1.00 19.49 H new ATOM 37 N ILE A 3 7.093 -7.725 0.383 1.00 5.87 N ATOM 38 CA ILE A 3 6.503 -6.919 1.529 1.00 5.07 C ATOM 39 C ILE A 3 5.162 -7.580 1.805 1.00 4.01 C ATOM 40 O ILE A 3 4.657 -8.277 0.916 1.00 4.61 O ATOM 41 CB ILE A 3 6.250 -5.433 1.264 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.333 -5.225 0.024 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.639 -4.717 1.142 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.917 -3.746 -0.218 1.00 10.83 C ATOM 0 H ILE A 3 6.415 -8.034 -0.314 1.00 5.87 H new ATOM 0 HA ILE A 3 7.225 -6.926 2.345 1.00 5.07 H new ATOM 0 HB ILE A 3 5.704 -4.983 2.093 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.849 -5.596 -0.862 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.434 -5.829 0.145 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.485 -3.655 0.953 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.196 -4.843 2.070 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.203 -5.155 0.318 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.279 -3.687 -1.100 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.371 -3.375 0.650 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.808 -3.138 -0.373 1.00 10.83 H new ATOM 56 N PHE A 4 4.548 -7.296 2.985 1.00 4.55 N ATOM 57 CA PHE A 4 3.361 -7.986 3.423 1.00 4.68 C ATOM 58 C PHE A 4 2.352 -6.978 3.792 1.00 5.30 C ATOM 59 O PHE A 4 2.589 -6.041 4.530 1.00 5.58 O ATOM 60 CB PHE A 4 3.615 -8.948 4.602 1.00 4.83 C ATOM 61 CG PHE A 4 4.838 -9.735 4.386 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.846 -10.807 3.487 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.950 -9.460 5.129 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.980 -11.637 3.364 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.099 -10.294 5.057 1.00 10.61 C ATOM 66 CZ PHE A 4 7.131 -11.332 4.119 1.00 8.90 C ATOM 0 H PHE A 4 4.879 -6.584 3.636 1.00 4.55 H new ATOM 0 HA PHE A 4 3.010 -8.610 2.601 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.703 -8.379 5.528 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.763 -9.618 4.719 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.974 -11.001 2.880 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.957 -8.598 5.780 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.967 -12.491 2.703 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.937 -10.129 5.718 1.00 10.61 H new ATOM 0 HZ PHE A 4 8.038 -11.900 3.973 1.00 8.90 H new ATOM 76 N VAL A 5 1.147 -7.057 3.172 1.00 4.44 N ATOM 77 CA VAL A 5 0.013 -6.135 3.354 1.00 3.87 C ATOM 78 C VAL A 5 -1.069 -6.757 4.196 1.00 4.93 C ATOM 79 O VAL A 5 -1.728 -7.731 3.801 1.00 6.84 O ATOM 80 CB VAL A 5 -0.703 -5.712 2.040 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.826 -4.663 2.228 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.386 -5.191 1.072 1.00 9.13 C ATOM 0 H VAL A 5 0.937 -7.799 2.504 1.00 4.44 H new ATOM 0 HA VAL A 5 0.477 -5.265 3.818 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.219 -6.585 1.639 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.269 -4.427 1.261 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.593 -5.065 2.890 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.408 -3.757 2.666 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.077 -4.883 0.135 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.895 -4.339 1.522 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.108 -5.984 0.876 1.00 9.13 H new ATOM 92 N LYS A 6 -1.182 -6.161 5.396 1.00 6.04 N ATOM 93 CA LYS A 6 -2.180 -6.563 6.392 1.00 6.12 C ATOM 94 C LYS A 6 -3.504 -5.808 6.221 1.00 6.57 C ATOM 95 O LYS A 6 -3.523 -4.643 5.934 1.00 5.76 O ATOM 96 CB LYS A 6 -1.628 -6.302 7.834 1.00 7.45 C ATOM 97 CG LYS A 6 -2.241 -7.112 8.975 1.00 11.12 C ATOM 98 CD LYS A 6 -1.795 -8.509 9.107 1.00 14.54 C ATOM 99 CE LYS A 6 -0.354 -8.744 9.651 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.041 -10.132 9.383 1.00 20.55 N ATOM 0 H LYS A 6 -0.585 -5.391 5.698 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.373 -7.625 6.244 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.555 -6.492 7.824 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.763 -5.244 8.061 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.028 -6.597 9.911 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -3.324 -7.111 8.850 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -2.494 -9.027 9.764 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.869 -8.982 8.128 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.360 -8.082 9.160 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -0.302 -8.533 10.719 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.989 -10.269 9.422 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.498 -10.735 10.097 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.389 -10.390 8.438 1.00 20.55 H new ATOM 114 N THR A 7 -4.587 -6.590 6.423 1.00 7.41 N ATOM 115 CA THR A 7 -5.900 -6.135 6.069 1.00 7.48 C ATOM 116 C THR A 7 -6.934 -6.281 7.165 1.00 8.75 C ATOM 117 O THR A 7 -6.603 -6.925 8.173 1.00 8.58 O ATOM 118 CB THR A 7 -6.432 -6.777 4.753 1.00 9.61 C ATOM 119 OG1 THR A 7 -6.653 -8.147 4.982 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.484 -6.628 3.530 1.00 9.17 C ATOM 0 H THR A 7 -4.553 -7.526 6.827 1.00 7.41 H new ATOM 0 HA THR A 7 -5.759 -5.067 5.906 1.00 7.48 H new ATOM 0 HB THR A 7 -7.346 -6.240 4.499 1.00 9.61 H new ATOM 0 HG1 THR A 7 -5.795 -8.620 4.991 1.00 11.78 H new ATOM 0 HG21 THR A 7 -5.935 -7.104 2.660 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.322 -5.570 3.322 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.529 -7.105 3.750 1.00 9.17 H new ATOM 128 N LEU A 8 -8.128 -5.652 7.036 1.00 9.84 N ATOM 129 CA LEU A 8 -9.075 -5.745 8.135 1.00 14.15 C ATOM 130 C LEU A 8 -9.525 -7.134 8.569 1.00 17.37 C ATOM 131 O LEU A 8 -9.608 -7.395 9.788 1.00 17.01 O ATOM 132 CB LEU A 8 -10.361 -4.953 7.789 1.00 16.63 C ATOM 133 CG LEU A 8 -11.323 -4.909 8.933 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.945 -3.919 10.056 1.00 19.31 C ATOM 135 CD2 LEU A 8 -12.692 -4.578 8.333 1.00 18.59 C ATOM 0 H LEU A 8 -8.432 -5.110 6.227 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.505 -5.340 8.971 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.093 -3.936 7.503 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.846 -5.410 6.926 1.00 16.63 H new ATOM 0 HG LEU A 8 -11.316 -5.876 9.435 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -11.699 -3.955 10.842 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.975 -4.193 10.471 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.894 -2.909 9.649 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -13.436 -4.533 9.128 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -12.644 -3.614 7.826 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -12.972 -5.351 7.617 1.00 18.59 H new ATOM 147 N THR A 9 -9.753 -8.113 7.650 1.00 18.33 N ATOM 148 CA THR A 9 -10.206 -9.492 7.950 1.00 19.24 C ATOM 149 C THR A 9 -8.977 -10.350 8.310 1.00 19.48 C ATOM 150 O THR A 9 -8.988 -11.544 8.435 1.00 23.14 O ATOM 151 CB THR A 9 -11.027 -10.055 6.757 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.326 -10.107 5.539 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.266 -9.218 6.471 1.00 19.70 C ATOM 0 H THR A 9 -9.621 -7.955 6.651 1.00 18.33 H new ATOM 0 HA THR A 9 -10.876 -9.505 8.809 1.00 19.24 H new ATOM 0 HB THR A 9 -11.273 -11.064 7.087 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.909 -10.473 4.841 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.809 -9.648 5.630 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.909 -9.207 7.351 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.968 -8.198 6.227 1.00 19.70 H new ATOM 161 N GLY A 10 -7.779 -9.725 8.436 1.00 19.43 N ATOM 162 CA GLY A 10 -6.492 -10.345 8.863 1.00 18.74 C ATOM 163 C GLY A 10 -5.814 -11.075 7.747 1.00 17.62 C ATOM 164 O GLY A 10 -4.799 -11.694 8.022 1.00 19.74 O ATOM 0 H GLY A 10 -7.676 -8.730 8.234 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.827 -9.570 9.244 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.680 -11.036 9.685 1.00 18.74 H new ATOM 168 N LYS A 11 -6.331 -11.083 6.536 1.00 13.56 N ATOM 169 CA LYS A 11 -5.497 -11.502 5.399 1.00 11.91 C ATOM 170 C LYS A 11 -4.291 -10.701 5.214 1.00 10.18 C ATOM 171 O LYS A 11 -4.234 -9.479 5.149 1.00 9.10 O ATOM 172 CB LYS A 11 -6.350 -11.494 4.164 1.00 13.43 C ATOM 173 CG LYS A 11 -5.805 -12.328 2.995 1.00 16.69 C ATOM 174 CD LYS A 11 -6.818 -12.265 1.746 1.00 17.92 C ATOM 175 CE LYS A 11 -6.319 -12.874 0.467 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.412 -12.945 -0.495 1.00 21.93 N ATOM 0 H LYS A 11 -7.288 -10.817 6.304 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.127 -12.505 5.610 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.342 -11.864 4.423 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.471 -10.463 3.830 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.826 -11.953 2.697 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.668 -13.363 3.310 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.744 -12.767 2.028 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.066 -11.221 1.556 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.502 -12.277 0.062 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -5.922 -13.871 0.657 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.485 -13.914 -0.866 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.304 -12.685 -0.027 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.228 -12.287 -1.279 1.00 21.93 H new ATOM 190 N THR A 12 -3.167 -11.408 4.979 1.00 9.63 N ATOM 191 CA THR A 12 -1.873 -10.783 4.755 1.00 9.85 C ATOM 192 C THR A 12 -1.381 -11.057 3.352 1.00 11.66 C ATOM 193 O THR A 12 -0.916 -12.138 2.975 1.00 12.33 O ATOM 194 CB THR A 12 -0.840 -11.181 5.789 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.372 -11.096 7.113 1.00 10.91 O ATOM 196 CG2 THR A 12 0.411 -10.249 5.663 1.00 9.63 C ATOM 0 H THR A 12 -3.144 -12.427 4.942 1.00 9.63 H new ATOM 0 HA THR A 12 -2.018 -9.709 4.867 1.00 9.85 H new ATOM 0 HB THR A 12 -0.553 -12.216 5.605 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.095 -11.882 7.628 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.154 -10.535 6.407 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.839 -10.348 4.666 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.112 -9.214 5.829 1.00 9.63 H new ATOM 204 N ILE A 13 -1.532 -10.004 2.500 1.00 10.42 N ATOM 205 CA ILE A 13 -1.219 -10.096 1.089 1.00 11.84 C ATOM 206 C ILE A 13 0.292 -9.980 0.874 1.00 10.55 C ATOM 207 O ILE A 13 1.004 -9.095 1.333 1.00 11.92 O ATOM 208 CB ILE A 13 -1.978 -9.029 0.202 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.414 -8.761 0.744 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.997 -9.458 -1.263 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.222 -7.717 -0.049 1.00 16.46 C ATOM 0 H ILE A 13 -1.872 -9.087 2.791 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.569 -11.075 0.761 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.432 -8.087 0.263 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.967 -9.701 0.747 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.340 -8.431 1.780 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.524 -8.709 -1.855 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.974 -9.554 -1.627 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.506 -10.417 -1.355 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.207 -7.599 0.403 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.698 -6.762 -0.032 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.334 -8.051 -1.081 1.00 16.46 H new ATOM 223 N THR A 14 0.930 -10.907 0.210 1.00 9.39 N ATOM 224 CA THR A 14 2.365 -10.873 -0.186 1.00 9.63 C ATOM 225 C THR A 14 2.507 -10.185 -1.543 1.00 11.20 C ATOM 226 O THR A 14 2.043 -10.639 -2.617 1.00 11.63 O ATOM 227 CB THR A 14 3.065 -12.245 -0.189 1.00 10.38 C ATOM 228 OG1 THR A 14 2.942 -12.795 1.156 1.00 16.30 O ATOM 229 CG2 THR A 14 4.562 -12.007 -0.467 1.00 11.66 C ATOM 0 H THR A 14 0.464 -11.761 -0.098 1.00 9.39 H new ATOM 0 HA THR A 14 2.880 -10.300 0.585 1.00 9.63 H new ATOM 0 HB THR A 14 2.632 -12.913 -0.933 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.377 -13.673 1.192 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.087 -12.962 -0.476 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.679 -11.520 -1.435 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.980 -11.370 0.313 1.00 11.66 H new ATOM 237 N LEU A 15 3.157 -9.024 -1.581 1.00 8.29 N ATOM 238 CA LEU A 15 3.425 -8.259 -2.804 1.00 9.03 C ATOM 239 C LEU A 15 4.871 -8.307 -3.282 1.00 8.59 C ATOM 240 O LEU A 15 5.779 -8.221 -2.457 1.00 7.79 O ATOM 241 CB LEU A 15 3.009 -6.753 -2.809 1.00 11.08 C ATOM 242 CG LEU A 15 1.456 -6.455 -2.616 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.200 -4.959 -2.820 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.456 -7.230 -3.566 1.00 15.27 C ATOM 0 H LEU A 15 3.523 -8.575 -0.742 1.00 8.29 H new ATOM 0 HA LEU A 15 2.767 -8.800 -3.484 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.557 -6.243 -2.017 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.328 -6.312 -3.753 1.00 11.08 H new ATOM 0 HG LEU A 15 1.249 -6.809 -1.606 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.138 -4.750 -2.689 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.775 -4.389 -2.090 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.505 -4.672 -3.826 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.568 -6.938 -3.332 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.676 -6.983 -4.605 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.570 -8.304 -3.416 1.00 15.27 H new ATOM 256 N GLU A 16 5.110 -8.483 -4.599 1.00 11.04 N ATOM 257 CA GLU A 16 6.427 -8.470 -5.234 1.00 11.50 C ATOM 258 C GLU A 16 6.597 -7.208 -6.025 1.00 10.13 C ATOM 259 O GLU A 16 5.994 -6.981 -7.079 1.00 9.83 O ATOM 260 CB GLU A 16 6.671 -9.722 -6.129 1.00 17.22 C ATOM 261 CG GLU A 16 8.155 -9.846 -6.789 1.00 23.33 C ATOM 262 CD GLU A 16 9.359 -9.899 -5.842 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.323 -10.515 -4.777 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.386 -9.216 -6.218 1.00 28.90 O ATOM 0 H GLU A 16 4.356 -8.644 -5.267 1.00 11.04 H new ATOM 0 HA GLU A 16 7.175 -8.505 -4.442 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.485 -10.614 -5.531 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.936 -9.718 -6.934 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.173 -10.746 -7.404 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.294 -8.998 -7.460 1.00 23.33 H new ATOM 271 N VAL A 17 7.364 -6.299 -5.470 1.00 8.99 N ATOM 272 CA VAL A 17 7.437 -4.924 -5.902 1.00 8.85 C ATOM 273 C VAL A 17 8.857 -4.487 -6.062 1.00 8.04 C ATOM 274 O VAL A 17 9.753 -5.119 -5.468 1.00 8.99 O ATOM 275 CB VAL A 17 6.780 -3.978 -4.865 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.258 -4.314 -4.835 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.306 -4.211 -3.407 1.00 10.54 C ATOM 0 H VAL A 17 7.974 -6.504 -4.679 1.00 8.99 H new ATOM 0 HA VAL A 17 6.911 -4.869 -6.855 1.00 8.85 H new ATOM 0 HB VAL A 17 7.008 -2.954 -5.160 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.757 -3.668 -4.115 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.831 -4.154 -5.825 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.121 -5.356 -4.545 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.809 -3.520 -2.726 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.093 -5.236 -3.103 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.382 -4.040 -3.377 1.00 10.54 H new ATOM 287 N GLU A 18 9.063 -3.396 -6.840 1.00 7.29 N ATOM 288 CA GLU A 18 10.379 -2.748 -6.969 1.00 7.08 C ATOM 289 C GLU A 18 10.331 -1.489 -6.009 1.00 6.45 C ATOM 290 O GLU A 18 9.345 -0.790 -6.016 1.00 5.28 O ATOM 291 CB GLU A 18 10.604 -2.306 -8.377 1.00 10.28 C ATOM 292 CG GLU A 18 11.944 -1.731 -8.819 1.00 12.65 C ATOM 293 CD GLU A 18 11.856 -1.409 -10.259 1.00 14.15 C ATOM 294 OE1 GLU A 18 10.754 -1.627 -10.868 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.847 -0.878 -10.803 1.00 14.33 O ATOM 0 H GLU A 18 8.327 -2.950 -7.387 1.00 7.29 H new ATOM 0 HA GLU A 18 11.189 -3.429 -6.708 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.399 -3.165 -9.017 1.00 10.28 H new ATOM 0 HB3 GLU A 18 9.846 -1.555 -8.600 1.00 10.28 H new ATOM 0 HG2 GLU A 18 12.182 -0.837 -8.243 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.744 -2.449 -8.638 1.00 12.65 H new ATOM 302 N PRO A 19 11.386 -1.101 -5.295 1.00 7.24 N ATOM 303 CA PRO A 19 11.542 0.089 -4.494 1.00 7.07 C ATOM 304 C PRO A 19 11.206 1.333 -5.244 1.00 6.65 C ATOM 305 O PRO A 19 10.997 2.369 -4.582 1.00 6.37 O ATOM 306 CB PRO A 19 13.053 0.038 -4.063 1.00 7.61 C ATOM 307 CG PRO A 19 13.466 -1.509 -4.132 1.00 8.16 C ATOM 308 CD PRO A 19 12.547 -2.048 -5.199 1.00 7.49 C ATOM 0 HA PRO A 19 10.861 0.114 -3.643 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.672 0.639 -4.729 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.188 0.436 -3.057 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.515 -1.637 -4.398 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.316 -2.011 -3.176 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.066 -2.121 -6.155 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.206 -3.052 -4.944 1.00 7.49 H new ATOM 316 N SER A 20 11.338 1.413 -6.588 1.00 6.80 N ATOM 317 CA SER A 20 11.057 2.519 -7.393 1.00 6.28 C ATOM 318 C SER A 20 9.664 2.536 -7.847 1.00 8.45 C ATOM 319 O SER A 20 9.291 3.505 -8.453 1.00 7.26 O ATOM 320 CB SER A 20 11.941 2.570 -8.633 1.00 8.57 C ATOM 321 OG SER A 20 13.357 2.391 -8.317 1.00 11.13 O ATOM 0 H SER A 20 11.673 0.620 -7.135 1.00 6.80 H new ATOM 0 HA SER A 20 11.253 3.384 -6.759 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.627 1.795 -9.332 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.802 3.527 -9.136 1.00 8.57 H new ATOM 0 HG SER A 20 13.884 2.429 -9.142 1.00 11.13 H new ATOM 327 N ASP A 21 8.873 1.473 -7.612 1.00 7.50 N ATOM 328 CA ASP A 21 7.459 1.524 -7.695 1.00 7.70 C ATOM 329 C ASP A 21 6.789 2.582 -6.922 1.00 7.08 C ATOM 330 O ASP A 21 7.245 2.913 -5.814 1.00 8.11 O ATOM 331 CB ASP A 21 6.717 0.160 -7.343 1.00 11.00 C ATOM 332 CG ASP A 21 6.956 -0.899 -8.423 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.351 -0.595 -9.572 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.749 -2.107 -8.078 1.00 14.36 O ATOM 0 H ASP A 21 9.235 0.554 -7.357 1.00 7.50 H new ATOM 0 HA ASP A 21 7.358 1.753 -8.756 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.072 -0.212 -6.382 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.647 0.342 -7.240 1.00 11.00 H new ATOM 339 N THR A 22 5.722 3.253 -7.394 1.00 5.37 N ATOM 340 CA THR A 22 5.109 4.316 -6.597 1.00 6.01 C ATOM 341 C THR A 22 4.013 3.718 -5.734 1.00 8.01 C ATOM 342 O THR A 22 3.566 2.565 -5.912 1.00 8.11 O ATOM 343 CB THR A 22 4.561 5.392 -7.466 1.00 8.92 C ATOM 344 OG1 THR A 22 3.538 4.920 -8.410 1.00 10.22 O ATOM 345 CG2 THR A 22 5.776 6.048 -8.282 1.00 9.65 C ATOM 0 H THR A 22 5.281 3.081 -8.298 1.00 5.37 H new ATOM 0 HA THR A 22 5.871 4.767 -5.961 1.00 6.01 H new ATOM 0 HB THR A 22 4.070 6.118 -6.818 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.229 5.670 -8.960 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.396 6.841 -8.926 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.501 6.465 -7.583 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.259 5.285 -8.892 1.00 9.65 H new ATOM 353 N ILE A 23 3.546 4.451 -4.725 1.00 8.32 N ATOM 354 CA ILE A 23 2.422 4.041 -3.870 1.00 9.92 C ATOM 355 C ILE A 23 1.127 3.815 -4.684 1.00 10.01 C ATOM 356 O ILE A 23 0.328 2.960 -4.456 1.00 8.71 O ATOM 357 CB ILE A 23 2.176 4.914 -2.605 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.499 5.181 -1.747 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.019 4.320 -1.756 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.997 3.976 -0.895 1.00 12.30 C ATOM 0 H ILE A 23 3.939 5.358 -4.471 1.00 8.32 H new ATOM 0 HA ILE A 23 2.742 3.082 -3.462 1.00 9.92 H new ATOM 0 HB ILE A 23 1.870 5.902 -2.949 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.298 5.479 -2.426 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.316 6.024 -1.081 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.858 4.941 -0.875 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.107 4.293 -2.352 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.279 3.308 -1.444 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.898 4.262 -0.353 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.222 3.688 -0.185 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.220 3.134 -1.551 1.00 12.30 H new ATOM 372 N GLU A 24 0.910 4.601 -5.753 1.00 9.54 N ATOM 373 CA GLU A 24 -0.055 4.349 -6.844 1.00 11.81 C ATOM 374 C GLU A 24 0.021 2.953 -7.501 1.00 11.14 C ATOM 375 O GLU A 24 -0.893 2.163 -7.691 1.00 10.62 O ATOM 376 CB GLU A 24 0.156 5.431 -7.982 1.00 19.24 C ATOM 377 CG GLU A 24 -0.874 5.238 -9.126 1.00 27.76 C ATOM 378 CD GLU A 24 -0.541 5.842 -10.502 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.510 7.083 -10.525 1.00 36.51 O ATOM 380 OE2 GLU A 24 -0.137 5.133 -11.458 1.00 34.80 O ATOM 0 H GLU A 24 1.425 5.471 -5.889 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.034 4.408 -6.369 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.055 6.432 -7.561 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.167 5.353 -8.381 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.030 4.167 -9.259 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.824 5.660 -8.796 1.00 27.76 H new ATOM 387 N ASN A 25 1.262 2.533 -7.880 1.00 9.43 N ATOM 388 CA ASN A 25 1.468 1.190 -8.420 1.00 10.96 C ATOM 389 C ASN A 25 1.284 0.028 -7.354 1.00 9.68 C ATOM 390 O ASN A 25 0.865 -1.009 -7.751 1.00 9.33 O ATOM 391 CB ASN A 25 2.776 1.067 -9.167 1.00 16.78 C ATOM 392 CG ASN A 25 2.683 -0.001 -10.188 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.232 -1.102 -10.018 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.140 0.307 -11.371 1.00 24.70 N ATOM 0 H ASN A 25 2.106 3.102 -7.817 1.00 9.43 H new ATOM 0 HA ASN A 25 0.664 1.051 -9.142 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.021 2.016 -9.644 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.582 0.843 -8.469 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.176 -0.364 -12.139 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.690 1.213 -11.505 1.00 24.70 H new ATOM 401 N VAL A 26 1.516 0.293 -6.044 1.00 6.52 N ATOM 402 CA VAL A 26 1.160 -0.639 -4.976 1.00 5.53 C ATOM 403 C VAL A 26 -0.357 -0.587 -4.929 1.00 4.42 C ATOM 404 O VAL A 26 -0.977 -1.625 -4.926 1.00 3.40 O ATOM 405 CB VAL A 26 1.860 -0.243 -3.721 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.541 -1.026 -2.444 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.400 -0.353 -3.935 1.00 8.12 C ATOM 0 H VAL A 26 1.952 1.154 -5.714 1.00 6.52 H new ATOM 0 HA VAL A 26 1.474 -1.671 -5.132 1.00 5.53 H new ATOM 0 HB VAL A 26 1.490 0.768 -3.548 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.125 -0.625 -1.616 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.479 -0.935 -2.217 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.792 -2.077 -2.589 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.916 -0.064 -3.019 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.660 -1.381 -4.189 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.703 0.309 -4.746 1.00 8.12 H new ATOM 417 N LYS A 27 -1.096 0.565 -4.939 1.00 2.64 N ATOM 418 CA LYS A 27 -2.517 0.566 -5.063 1.00 4.14 C ATOM 419 C LYS A 27 -3.101 -0.201 -6.304 1.00 5.58 C ATOM 420 O LYS A 27 -4.055 -0.952 -6.195 1.00 4.11 O ATOM 421 CB LYS A 27 -3.082 2.065 -4.906 1.00 3.97 C ATOM 422 CG LYS A 27 -2.827 2.678 -3.544 1.00 7.45 C ATOM 423 CD LYS A 27 -3.521 4.010 -3.318 1.00 9.02 C ATOM 424 CE LYS A 27 -3.052 4.786 -2.040 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.918 5.910 -1.696 1.00 15.47 N ATOM 0 H LYS A 27 -0.687 1.496 -4.859 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.891 -0.038 -4.236 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.626 2.696 -5.669 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.155 2.060 -5.096 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.153 1.977 -2.776 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.753 2.815 -3.415 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.357 4.642 -4.191 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.595 3.837 -3.247 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.013 4.095 -1.198 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.038 5.153 -2.198 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.391 6.587 -1.109 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.237 6.381 -2.566 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.744 5.563 -1.167 1.00 15.47 H new ATOM 439 N ALA A 28 -2.556 -0.045 -7.517 1.00 6.61 N ATOM 440 CA ALA A 28 -2.994 -0.676 -8.676 1.00 7.74 C ATOM 441 C ALA A 28 -2.940 -2.178 -8.629 1.00 9.17 C ATOM 442 O ALA A 28 -3.684 -2.913 -9.282 1.00 11.45 O ATOM 443 CB ALA A 28 -2.207 -0.170 -9.901 1.00 7.68 C ATOM 0 H ALA A 28 -1.756 0.567 -7.679 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.048 -0.411 -8.762 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.565 -0.676 -10.798 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.353 0.905 -10.008 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.146 -0.381 -9.764 1.00 7.68 H new ATOM 449 N LYS A 29 -1.899 -2.659 -7.950 1.00 8.96 N ATOM 450 CA LYS A 29 -1.579 -4.012 -7.769 1.00 7.90 C ATOM 451 C LYS A 29 -2.468 -4.683 -6.701 1.00 6.92 C ATOM 452 O LYS A 29 -2.841 -5.834 -6.743 1.00 6.87 O ATOM 453 CB LYS A 29 -0.056 -4.053 -7.408 1.00 10.28 C ATOM 454 CG LYS A 29 0.468 -5.461 -7.014 1.00 14.94 C ATOM 455 CD LYS A 29 2.012 -5.496 -6.690 1.00 19.69 C ATOM 456 CE LYS A 29 2.846 -6.068 -7.779 1.00 22.63 C ATOM 457 NZ LYS A 29 2.914 -5.129 -8.919 1.00 24.98 N ATOM 0 H LYS A 29 -1.229 -2.041 -7.492 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.771 -4.587 -8.675 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.518 -3.690 -8.261 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.129 -3.365 -6.583 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -0.085 -5.814 -6.144 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.261 -6.157 -7.827 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.352 -4.482 -6.481 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.169 -6.078 -5.782 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.850 -6.274 -7.408 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.426 -7.019 -8.107 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 3.500 -5.541 -9.673 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 1.955 -4.954 -9.282 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.335 -4.231 -8.605 1.00 24.98 H new ATOM 471 N ILE A 30 -2.929 -3.896 -5.691 1.00 4.57 N ATOM 472 CA ILE A 30 -3.923 -4.339 -4.738 1.00 5.58 C ATOM 473 C ILE A 30 -5.301 -4.343 -5.361 1.00 7.26 C ATOM 474 O ILE A 30 -6.196 -5.126 -5.084 1.00 9.46 O ATOM 475 CB ILE A 30 -3.826 -3.483 -3.459 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.435 -3.737 -2.674 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.979 -3.709 -2.514 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.147 -2.793 -1.480 1.00 2.00 C ATOM 0 H ILE A 30 -2.607 -2.941 -5.535 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.729 -5.372 -4.448 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.865 -2.448 -3.798 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.429 -4.764 -2.309 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.616 -3.648 -3.388 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.856 -3.080 -1.633 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.914 -3.455 -3.013 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.002 -4.756 -2.212 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.189 -3.056 -1.031 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.112 -1.762 -1.832 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.937 -2.896 -0.736 1.00 2.00 H new ATOM 490 N GLN A 31 -5.643 -3.451 -6.395 1.00 7.06 N ATOM 491 CA GLN A 31 -6.863 -3.647 -7.182 1.00 8.67 C ATOM 492 C GLN A 31 -6.874 -5.007 -7.950 1.00 10.90 C ATOM 493 O GLN A 31 -7.893 -5.696 -7.996 1.00 9.63 O ATOM 494 CB GLN A 31 -7.021 -2.568 -8.221 1.00 9.12 C ATOM 495 CG GLN A 31 -8.504 -2.467 -8.781 1.00 10.76 C ATOM 496 CD GLN A 31 -8.644 -1.379 -9.857 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.415 -0.431 -9.773 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.921 -1.556 -10.981 1.00 14.76 N ATOM 0 H GLN A 31 -5.089 -2.637 -6.660 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.675 -3.624 -6.456 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.734 -1.609 -7.789 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.338 -2.763 -9.048 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.799 -3.429 -9.199 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -9.187 -2.253 -7.959 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -7.278 -2.344 -11.055 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.017 -0.902 -11.758 1.00 14.76 H new ATOM 507 N ASP A 32 -5.748 -5.358 -8.575 1.00 10.93 N ATOM 508 CA ASP A 32 -5.523 -6.583 -9.264 1.00 14.01 C ATOM 509 C ASP A 32 -5.598 -7.841 -8.324 1.00 14.04 C ATOM 510 O ASP A 32 -6.173 -8.872 -8.693 1.00 13.39 O ATOM 511 CB ASP A 32 -4.108 -6.433 -9.900 1.00 18.01 C ATOM 512 CG ASP A 32 -3.876 -7.442 -10.974 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.678 -7.523 -11.957 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.841 -8.113 -10.881 1.00 25.17 O ATOM 0 H ASP A 32 -4.935 -4.743 -8.602 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.299 -6.756 -10.009 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.999 -5.430 -10.313 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.348 -6.543 -9.127 1.00 18.01 H new ATOM 519 N LYS A 33 -5.000 -7.784 -7.136 1.00 14.22 N ATOM 520 CA LYS A 33 -5.216 -8.778 -6.084 1.00 14.00 C ATOM 521 C LYS A 33 -6.650 -8.890 -5.659 1.00 12.37 C ATOM 522 O LYS A 33 -7.274 -9.918 -5.824 1.00 12.17 O ATOM 523 CB LYS A 33 -4.251 -8.567 -4.914 1.00 18.62 C ATOM 524 CG LYS A 33 -2.804 -8.688 -5.267 1.00 24.00 C ATOM 525 CD LYS A 33 -2.306 -10.131 -5.344 1.00 27.61 C ATOM 526 CE LYS A 33 -0.923 -10.182 -5.938 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.524 -11.597 -6.069 1.00 30.06 N ATOM 0 H LYS A 33 -4.349 -7.044 -6.874 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.982 -9.752 -6.515 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.426 -7.578 -4.491 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.483 -9.293 -4.135 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.632 -8.203 -6.228 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.213 -8.149 -4.527 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.296 -10.572 -4.347 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.990 -10.726 -5.949 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.910 -9.693 -6.912 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.217 -9.646 -5.303 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.430 -11.652 -6.478 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.525 -12.046 -5.131 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.196 -12.091 -6.690 1.00 30.06 H new ATOM 541 N GLU A 34 -7.204 -7.799 -5.101 1.00 10.11 N ATOM 542 CA GLU A 34 -8.396 -7.948 -4.281 1.00 10.07 C ATOM 543 C GLU A 34 -9.637 -7.207 -4.725 1.00 9.32 C ATOM 544 O GLU A 34 -10.730 -7.356 -4.188 1.00 11.61 O ATOM 545 CB GLU A 34 -8.080 -7.553 -2.857 1.00 14.77 C ATOM 546 CG GLU A 34 -7.131 -8.554 -2.055 1.00 18.75 C ATOM 547 CD GLU A 34 -7.916 -9.799 -1.683 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.895 -9.635 -0.953 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.635 -10.900 -2.159 1.00 25.19 O ATOM 0 H GLU A 34 -6.856 -6.846 -5.202 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.653 -9.002 -4.386 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.612 -6.569 -2.868 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.018 -7.454 -2.310 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.268 -8.823 -2.665 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.748 -8.069 -1.157 1.00 18.75 H new ATOM 556 N GLY A 35 -9.600 -6.406 -5.862 1.00 7.22 N ATOM 557 CA GLY A 35 -10.742 -5.708 -6.406 1.00 6.29 C ATOM 558 C GLY A 35 -10.950 -4.292 -5.921 1.00 6.93 C ATOM 559 O GLY A 35 -12.000 -3.710 -6.226 1.00 7.41 O ATOM 0 H GLY A 35 -8.746 -6.255 -6.399 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.646 -5.688 -7.492 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.638 -6.284 -6.175 1.00 6.29 H new ATOM 563 N ILE A 36 -10.010 -3.797 -5.117 1.00 5.86 N ATOM 564 CA ILE A 36 -10.316 -2.627 -4.277 1.00 6.07 C ATOM 565 C ILE A 36 -10.023 -1.357 -5.055 1.00 6.36 C ATOM 566 O ILE A 36 -8.930 -1.214 -5.540 1.00 6.18 O ATOM 567 CB ILE A 36 -9.563 -2.710 -3.035 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.790 -4.058 -2.348 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.768 -1.475 -2.060 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.093 -4.208 -1.041 1.00 9.49 C ATOM 0 H ILE A 36 -9.064 -4.166 -5.026 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.373 -2.610 -4.013 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.511 -2.649 -3.313 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.860 -4.197 -2.193 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.458 -4.853 -3.016 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.171 -1.619 -1.160 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.454 -0.560 -2.561 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.821 -1.397 -1.788 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.309 -5.192 -0.624 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.018 -4.104 -1.188 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.441 -3.438 -0.352 1.00 9.49 H new ATOM 582 N PRO A 37 -10.929 -0.325 -5.111 1.00 8.65 N ATOM 583 CA PRO A 37 -10.653 0.910 -5.739 1.00 9.18 C ATOM 584 C PRO A 37 -9.378 1.558 -5.229 1.00 9.85 C ATOM 585 O PRO A 37 -9.476 1.815 -4.011 1.00 8.51 O ATOM 586 CB PRO A 37 -11.814 1.775 -5.518 1.00 11.42 C ATOM 587 CG PRO A 37 -12.933 0.722 -5.531 1.00 9.27 C ATOM 588 CD PRO A 37 -12.325 -0.504 -4.787 1.00 8.33 C ATOM 0 HA PRO A 37 -10.483 0.746 -6.803 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.759 2.314 -4.572 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.934 2.521 -6.303 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.828 1.088 -5.027 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.223 0.464 -6.549 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.511 -0.475 -3.713 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.720 -1.452 -5.153 1.00 8.33 H new ATOM 596 N PRO A 38 -8.223 1.929 -5.899 1.00 8.71 N ATOM 597 CA PRO A 38 -7.177 2.837 -5.357 1.00 9.08 C ATOM 598 C PRO A 38 -7.615 4.056 -4.561 1.00 9.28 C ATOM 599 O PRO A 38 -6.926 4.440 -3.620 1.00 6.50 O ATOM 600 CB PRO A 38 -6.399 3.243 -6.548 1.00 10.31 C ATOM 601 CG PRO A 38 -6.530 2.129 -7.566 1.00 10.81 C ATOM 602 CD PRO A 38 -7.966 1.662 -7.324 1.00 12.00 C ATOM 0 HA PRO A 38 -6.627 2.287 -4.594 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.777 4.182 -6.953 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.353 3.406 -6.288 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.381 2.485 -8.585 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.806 1.332 -7.398 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.668 2.202 -7.959 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -8.080 0.602 -7.553 1.00 12.00 H new ATOM 610 N ASP A 39 -8.754 4.731 -4.880 1.00 11.20 N ATOM 611 CA ASP A 39 -9.147 5.988 -4.252 1.00 14.96 C ATOM 612 C ASP A 39 -9.928 5.674 -2.936 1.00 13.99 C ATOM 613 O ASP A 39 -10.312 6.594 -2.232 1.00 13.75 O ATOM 614 CB ASP A 39 -10.017 6.816 -5.267 1.00 24.16 C ATOM 615 CG ASP A 39 -9.188 7.213 -6.460 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.304 8.103 -6.253 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.371 6.699 -7.583 1.00 34.22 O ATOM 0 H ASP A 39 -9.415 4.403 -5.584 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.273 6.585 -3.992 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.873 6.224 -5.591 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.412 7.706 -4.777 1.00 24.16 H new ATOM 622 N GLN A 40 -10.191 4.380 -2.685 1.00 11.60 N ATOM 623 CA GLN A 40 -10.713 3.811 -1.450 1.00 10.76 C ATOM 624 C GLN A 40 -9.607 3.201 -0.656 1.00 8.01 C ATOM 625 O GLN A 40 -9.655 2.867 0.534 1.00 8.96 O ATOM 626 CB GLN A 40 -11.916 2.936 -1.738 1.00 11.14 C ATOM 627 CG GLN A 40 -12.582 2.206 -0.502 1.00 14.85 C ATOM 628 CD GLN A 40 -13.845 1.426 -0.875 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.155 1.099 -2.010 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.639 1.167 0.198 1.00 18.16 N ATOM 0 H GLN A 40 -10.031 3.663 -3.393 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.110 4.585 -0.793 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.676 3.552 -2.218 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.618 2.176 -2.461 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -11.858 1.523 -0.058 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.830 2.946 0.259 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.346 1.456 1.131 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.528 0.684 0.070 1.00 18.16 H new ATOM 639 N GLN A 41 -8.399 3.102 -1.213 1.00 6.52 N ATOM 640 CA GLN A 41 -7.226 2.586 -0.543 1.00 3.87 C ATOM 641 C GLN A 41 -6.471 3.691 0.229 1.00 4.79 C ATOM 642 O GLN A 41 -5.944 4.614 -0.367 1.00 6.34 O ATOM 643 CB GLN A 41 -6.230 1.855 -1.459 1.00 4.20 C ATOM 644 CG GLN A 41 -6.808 0.644 -2.093 1.00 3.20 C ATOM 645 CD GLN A 41 -5.751 -0.177 -2.904 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.597 -0.282 -2.472 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.245 -0.757 -3.986 1.00 7.13 N ATOM 0 H GLN A 41 -8.215 3.391 -2.174 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.629 1.847 0.150 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.891 2.539 -2.237 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.352 1.571 -0.879 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.242 0.008 -1.322 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.620 0.939 -2.757 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.217 -0.599 -4.250 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.653 -1.362 -4.556 1.00 7.13 H new ATOM 656 N ARG A 42 -6.335 3.470 1.549 1.00 5.73 N ATOM 657 CA ARG A 42 -5.363 4.241 2.314 1.00 6.97 C ATOM 658 C ARG A 42 -4.260 3.219 2.811 1.00 7.15 C ATOM 659 O ARG A 42 -4.518 2.190 3.362 1.00 7.33 O ATOM 660 CB ARG A 42 -5.937 5.097 3.472 1.00 13.23 C ATOM 661 CG ARG A 42 -4.968 5.932 4.330 1.00 21.27 C ATOM 662 CD ARG A 42 -5.734 6.973 5.110 1.00 26.14 C ATOM 663 NE ARG A 42 -6.154 7.996 4.128 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.288 8.752 4.312 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.137 8.532 5.292 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.413 9.744 3.460 1.00 36.39 N ATOM 0 H ARG A 42 -6.870 2.787 2.085 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.945 5.004 1.657 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.671 5.780 3.045 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.477 4.427 4.141 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.423 5.282 5.014 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -4.228 6.415 3.692 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.598 6.531 5.605 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.111 7.413 5.889 1.00 26.14 H new ATOM 0 HE ARG A 42 -5.588 8.145 3.293 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.967 7.775 5.954 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.966 9.118 5.390 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -6.702 9.895 2.745 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.221 10.364 3.514 1.00 36.39 H new ATOM 680 N LEU A 43 -2.997 3.549 2.548 1.00 4.65 N ATOM 681 CA LEU A 43 -1.872 2.740 2.866 1.00 3.51 C ATOM 682 C LEU A 43 -1.151 3.457 3.980 1.00 5.56 C ATOM 683 O LEU A 43 -0.997 4.678 3.907 1.00 4.19 O ATOM 684 CB LEU A 43 -1.039 2.348 1.670 1.00 3.74 C ATOM 685 CG LEU A 43 -1.725 1.324 0.745 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.918 1.102 -0.596 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.973 -0.059 1.383 1.00 6.41 C ATOM 0 H LEU A 43 -2.743 4.424 2.090 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.172 1.752 3.215 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.802 3.243 1.094 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.093 1.933 2.018 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.695 1.778 0.543 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.438 0.373 -1.217 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.840 2.047 -1.134 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.081 0.733 -0.363 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.459 -0.712 0.658 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.021 -0.496 1.685 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.614 0.053 2.257 1.00 6.41 H new ATOM 699 N ILE A 44 -0.815 2.718 5.045 1.00 4.58 N ATOM 700 CA ILE A 44 -0.110 3.103 6.260 1.00 5.55 C ATOM 701 C ILE A 44 1.073 2.248 6.472 1.00 5.46 C ATOM 702 O ILE A 44 1.080 0.996 6.544 1.00 6.04 O ATOM 703 CB ILE A 44 -1.067 3.070 7.490 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.210 4.067 7.161 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.314 3.387 8.815 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.134 4.395 8.360 1.00 13.90 C ATOM 0 H ILE A 44 -1.061 1.728 5.072 1.00 4.58 H new ATOM 0 HA ILE A 44 0.241 4.128 6.143 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.481 2.076 7.662 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.772 4.994 6.790 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.815 3.655 6.353 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.015 3.354 9.649 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.472 2.648 8.973 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.129 4.381 8.753 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.905 5.098 8.044 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.604 3.479 8.719 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.545 4.839 9.162 1.00 13.90 H new ATOM 718 N PHE A 45 2.281 2.800 6.604 1.00 6.75 N ATOM 719 CA PHE A 45 3.498 2.192 7.091 1.00 4.70 C ATOM 720 C PHE A 45 4.017 3.054 8.213 1.00 6.34 C ATOM 721 O PHE A 45 4.290 4.224 8.000 1.00 5.45 O ATOM 722 CB PHE A 45 4.559 2.052 5.973 1.00 5.51 C ATOM 723 CG PHE A 45 5.930 1.624 6.374 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.214 0.286 6.555 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.958 2.496 6.688 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.521 -0.201 6.931 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.191 2.124 7.150 1.00 6.64 C ATOM 728 CZ PHE A 45 8.485 0.776 7.193 1.00 6.84 C ATOM 0 H PHE A 45 2.434 3.775 6.346 1.00 6.75 H new ATOM 0 HA PHE A 45 3.288 1.182 7.443 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.184 1.337 5.241 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.642 3.013 5.466 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.421 -0.432 6.408 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.772 3.552 6.558 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.740 -1.256 7.005 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.911 2.862 7.471 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.491 0.467 7.437 1.00 6.84 H new ATOM 738 N ALA A 46 4.171 2.466 9.376 1.00 6.53 N ATOM 739 CA ALA A 46 4.809 3.110 10.528 1.00 7.15 C ATOM 740 C ALA A 46 4.148 4.394 11.005 1.00 9.00 C ATOM 741 O ALA A 46 4.825 5.391 11.341 1.00 11.15 O ATOM 742 CB ALA A 46 6.345 3.121 10.418 1.00 8.99 C ATOM 0 H ALA A 46 3.857 1.514 9.564 1.00 6.53 H new ATOM 0 HA ALA A 46 4.609 2.463 11.382 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.769 3.609 11.296 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.713 2.097 10.359 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.642 3.665 9.521 1.00 8.99 H new ATOM 748 N GLY A 47 2.809 4.384 10.978 1.00 9.35 N ATOM 749 CA GLY A 47 2.100 5.546 11.443 1.00 11.68 C ATOM 750 C GLY A 47 2.007 6.604 10.412 1.00 11.14 C ATOM 751 O GLY A 47 1.246 7.552 10.610 1.00 13.93 O ATOM 0 H GLY A 47 2.229 3.611 10.651 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.096 5.255 11.752 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.602 5.945 12.324 1.00 11.68 H new ATOM 755 N LYS A 48 2.584 6.477 9.187 1.00 10.47 N ATOM 756 CA LYS A 48 2.532 7.465 8.170 1.00 8.82 C ATOM 757 C LYS A 48 1.687 7.017 7.019 1.00 7.68 C ATOM 758 O LYS A 48 1.905 5.938 6.444 1.00 6.47 O ATOM 759 CB LYS A 48 3.963 7.827 7.660 1.00 9.74 C ATOM 760 CG LYS A 48 4.794 8.575 8.676 1.00 14.14 C ATOM 761 CD LYS A 48 6.116 9.135 8.134 1.00 16.32 C ATOM 762 CE LYS A 48 6.846 9.920 9.187 1.00 20.04 C ATOM 763 NZ LYS A 48 8.015 10.554 8.649 1.00 23.92 N ATOM 0 H LYS A 48 3.105 5.645 8.910 1.00 10.47 H new ATOM 0 HA LYS A 48 2.080 8.354 8.611 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.483 6.911 7.381 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.876 8.432 6.757 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.202 9.399 9.074 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.012 7.907 9.510 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.745 8.316 7.786 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.918 9.773 7.273 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.181 10.675 9.607 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.132 9.258 10.004 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.497 11.088 9.400 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.659 9.831 8.270 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.737 11.204 7.886 1.00 23.92 H new ATOM 777 N GLN A 49 0.730 7.933 6.731 1.00 8.89 N ATOM 778 CA GLN A 49 -0.139 7.739 5.565 1.00 7.18 C ATOM 779 C GLN A 49 0.537 7.891 4.263 1.00 8.23 C ATOM 780 O GLN A 49 1.170 8.953 4.039 1.00 9.70 O ATOM 781 CB GLN A 49 -1.347 8.766 5.610 1.00 11.67 C ATOM 782 CG GLN A 49 -2.427 8.292 6.636 1.00 15.82 C ATOM 783 CD GLN A 49 -2.366 8.634 8.096 1.00 20.21 C ATOM 784 OE1 GLN A 49 -2.441 7.652 8.901 1.00 23.23 O ATOM 785 NE2 GLN A 49 -2.231 9.890 8.437 1.00 20.67 N ATOM 0 H GLN A 49 0.551 8.779 7.272 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.478 6.705 5.635 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -0.982 9.755 5.887 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.792 8.857 4.619 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -3.385 8.661 6.271 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.459 7.204 6.573 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.180 10.611 7.717 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -2.177 10.148 9.422 1.00 20.67 H new ATOM 794 N LEU A 50 0.499 6.908 3.332 1.00 6.51 N ATOM 795 CA LEU A 50 1.334 6.973 2.147 1.00 7.41 C ATOM 796 C LEU A 50 0.699 7.592 0.963 1.00 8.27 C ATOM 797 O LEU A 50 -0.470 7.520 0.660 1.00 8.34 O ATOM 798 CB LEU A 50 1.965 5.604 1.830 1.00 7.13 C ATOM 799 CG LEU A 50 2.610 4.895 3.045 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.092 3.557 2.644 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.635 5.684 3.762 1.00 9.11 C ATOM 0 H LEU A 50 -0.096 6.081 3.392 1.00 6.51 H new ATOM 0 HA LEU A 50 2.135 7.667 2.402 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.197 4.953 1.412 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.724 5.738 1.059 1.00 7.13 H new ATOM 0 HG LEU A 50 1.824 4.783 3.791 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.545 3.061 3.502 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.254 2.962 2.282 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.833 3.660 1.851 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.026 5.101 4.596 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.448 5.931 3.079 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.188 6.603 4.140 1.00 9.11 H new ATOM 813 N GLU A 51 1.474 8.347 0.175 1.00 9.43 N ATOM 814 CA GLU A 51 0.960 9.178 -0.882 1.00 11.90 C ATOM 815 C GLU A 51 1.333 8.693 -2.293 1.00 11.49 C ATOM 816 O GLU A 51 2.418 8.195 -2.591 1.00 9.88 O ATOM 817 CB GLU A 51 1.407 10.649 -0.617 1.00 16.56 C ATOM 818 CG GLU A 51 0.685 11.598 -1.517 1.00 26.06 C ATOM 819 CD GLU A 51 1.146 13.022 -1.549 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.270 13.301 -2.107 1.00 32.13 O ATOM 821 OE2 GLU A 51 0.386 13.924 -1.085 1.00 33.44 O ATOM 0 H GLU A 51 2.489 8.387 0.268 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.128 9.116 -0.866 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.213 10.910 0.423 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.482 10.740 -0.774 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.742 11.205 -2.532 1.00 26.06 H new ATOM 0 HG3 GLU A 51 -0.367 11.594 -1.232 1.00 26.06 H new ATOM 828 N ASP A 52 0.339 8.671 -3.195 1.00 12.71 N ATOM 829 CA ASP A 52 0.257 8.032 -4.475 1.00 16.56 C ATOM 830 C ASP A 52 1.475 8.159 -5.433 1.00 15.83 C ATOM 831 O ASP A 52 2.017 7.143 -5.871 1.00 17.21 O ATOM 832 CB ASP A 52 -0.999 8.485 -5.322 1.00 21.05 C ATOM 833 CG ASP A 52 -2.218 8.428 -4.427 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.394 9.270 -3.532 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.024 7.395 -4.600 1.00 28.37 O ATOM 0 H ASP A 52 -0.527 9.172 -2.996 1.00 12.71 H new ATOM 0 HA ASP A 52 0.198 6.995 -4.146 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.855 9.495 -5.705 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.130 7.833 -6.186 1.00 21.05 H new ATOM 840 N GLY A 53 1.968 9.364 -5.693 1.00 15.00 N ATOM 841 CA GLY A 53 3.060 9.602 -6.628 1.00 11.77 C ATOM 842 C GLY A 53 4.416 9.385 -6.035 1.00 11.10 C ATOM 843 O GLY A 53 5.447 9.671 -6.667 1.00 11.25 O ATOM 0 H GLY A 53 1.615 10.215 -5.254 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.940 8.944 -7.489 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.994 10.625 -6.997 1.00 11.77 H new ATOM 847 N ARG A 54 4.434 8.947 -4.753 1.00 8.53 N ATOM 848 CA ARG A 54 5.733 8.764 -4.008 1.00 9.05 C ATOM 849 C ARG A 54 6.141 7.305 -4.177 1.00 8.96 C ATOM 850 O ARG A 54 5.344 6.418 -4.339 1.00 11.60 O ATOM 851 CB ARG A 54 5.558 8.993 -2.485 1.00 7.97 C ATOM 852 CG ARG A 54 5.006 10.396 -2.152 1.00 9.62 C ATOM 853 CD ARG A 54 5.839 11.548 -2.696 1.00 12.20 C ATOM 854 NE ARG A 54 5.042 12.757 -2.354 1.00 18.23 N ATOM 855 CZ ARG A 54 5.492 13.795 -1.689 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.754 14.066 -1.538 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.554 14.567 -1.204 1.00 23.38 N ATOM 0 H ARG A 54 3.599 8.716 -4.214 1.00 8.53 H new ATOM 0 HA ARG A 54 6.462 9.474 -4.398 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.883 8.237 -2.083 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.519 8.858 -1.989 1.00 7.97 H new ATOM 0 HG2 ARG A 54 3.994 10.478 -2.548 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.934 10.496 -1.069 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.827 11.578 -2.238 1.00 12.20 H new ATOM 0 HD3 ARG A 54 5.989 11.459 -3.772 1.00 12.20 H new ATOM 0 HE ARG A 54 4.069 12.781 -2.661 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.460 13.455 -1.949 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.039 14.890 -1.009 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.573 14.336 -1.359 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.804 15.400 -0.671 1.00 23.38 H new ATOM 871 N THR A 55 7.455 7.052 -4.099 1.00 9.05 N ATOM 872 CA THR A 55 7.997 5.719 -4.118 1.00 9.03 C ATOM 873 C THR A 55 8.149 5.074 -2.751 1.00 8.15 C ATOM 874 O THR A 55 8.315 5.746 -1.745 1.00 5.91 O ATOM 875 CB THR A 55 9.384 5.722 -4.781 1.00 11.15 C ATOM 876 OG1 THR A 55 10.382 6.504 -4.181 1.00 11.95 O ATOM 877 CG2 THR A 55 9.288 6.184 -6.200 1.00 11.71 C ATOM 0 H THR A 55 8.162 7.783 -4.021 1.00 9.05 H new ATOM 0 HA THR A 55 7.269 5.133 -4.679 1.00 9.03 H new ATOM 0 HB THR A 55 9.691 4.682 -4.673 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.190 5.964 -4.056 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.280 6.179 -6.652 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.632 5.515 -6.757 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.882 7.195 -6.227 1.00 11.71 H new ATOM 885 N LEU A 56 8.190 3.736 -2.735 1.00 6.91 N ATOM 886 CA LEU A 56 8.611 2.900 -1.599 1.00 8.29 C ATOM 887 C LEU A 56 9.960 3.269 -1.070 1.00 8.05 C ATOM 888 O LEU A 56 10.102 3.586 0.124 1.00 10.17 O ATOM 889 CB LEU A 56 8.518 1.442 -2.021 1.00 6.60 C ATOM 890 CG LEU A 56 7.101 0.916 -2.429 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.336 -0.440 -2.969 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.152 0.915 -1.220 1.00 8.64 C ATOM 0 H LEU A 56 7.920 3.181 -3.547 1.00 6.91 H new ATOM 0 HA LEU A 56 7.940 3.074 -0.758 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.193 1.288 -2.863 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.886 0.826 -1.200 1.00 6.60 H new ATOM 0 HG LEU A 56 6.615 1.549 -3.171 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.387 -0.878 -3.278 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.004 -0.379 -3.828 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.790 -1.064 -2.200 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.173 0.546 -1.526 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.556 0.269 -0.441 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.053 1.930 -0.834 1.00 8.64 H new ATOM 904 N SER A 57 10.970 3.508 -1.885 1.00 8.92 N ATOM 905 CA SER A 57 12.282 3.984 -1.570 1.00 9.00 C ATOM 906 C SER A 57 12.301 5.348 -0.910 1.00 9.44 C ATOM 907 O SER A 57 13.246 5.642 -0.119 1.00 10.91 O ATOM 908 CB SER A 57 13.241 4.075 -2.817 1.00 10.32 C ATOM 909 OG SER A 57 12.692 4.857 -3.862 1.00 13.59 O ATOM 0 H SER A 57 10.868 3.353 -2.888 1.00 8.92 H new ATOM 0 HA SER A 57 12.640 3.227 -0.872 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.195 4.503 -2.508 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.447 3.071 -3.188 1.00 10.32 H new ATOM 0 HG SER A 57 12.074 4.310 -4.390 1.00 13.59 H new ATOM 915 N ASP A 58 11.380 6.254 -1.279 1.00 9.11 N ATOM 916 CA ASP A 58 11.326 7.497 -0.579 1.00 7.91 C ATOM 917 C ASP A 58 10.914 7.306 0.891 1.00 9.12 C ATOM 918 O ASP A 58 11.484 7.977 1.776 1.00 8.61 O ATOM 919 CB ASP A 58 10.350 8.425 -1.281 1.00 8.41 C ATOM 920 CG ASP A 58 10.514 9.860 -0.858 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.424 10.222 -0.038 1.00 11.70 O ATOM 922 OD2 ASP A 58 9.696 10.689 -1.342 1.00 10.05 O ATOM 0 H ASP A 58 10.699 6.136 -2.029 1.00 9.11 H new ATOM 0 HA ASP A 58 12.324 7.936 -0.582 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.492 8.349 -2.359 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.331 8.102 -1.070 1.00 8.41 H new ATOM 927 N TYR A 59 10.016 6.364 1.139 1.00 7.97 N ATOM 928 CA TYR A 59 9.499 6.109 2.486 1.00 8.45 C ATOM 929 C TYR A 59 10.436 5.156 3.238 1.00 10.98 C ATOM 930 O TYR A 59 10.286 4.948 4.422 1.00 12.95 O ATOM 931 CB TYR A 59 8.036 5.587 2.355 1.00 7.94 C ATOM 932 CG TYR A 59 7.002 6.700 2.135 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.823 7.706 3.096 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.180 6.832 0.961 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.859 8.728 2.974 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.272 7.877 0.796 1.00 6.52 C ATOM 937 CZ TYR A 59 5.064 8.779 1.827 1.00 6.76 C ATOM 938 OH TYR A 59 4.039 9.684 1.700 1.00 7.63 O ATOM 0 H TYR A 59 9.624 5.755 0.421 1.00 7.97 H new ATOM 0 HA TYR A 59 9.469 7.020 3.084 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.983 4.884 1.523 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.775 5.033 3.257 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.454 7.697 3.972 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.270 6.093 0.178 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.737 9.462 3.757 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.732 7.983 -0.133 1.00 6.52 H new ATOM 0 HH TYR A 59 3.900 9.890 0.752 1.00 7.63 H new ATOM 948 N ASN A 60 11.508 4.680 2.594 1.00 12.38 N ATOM 949 CA ASN A 60 12.545 3.868 3.304 1.00 13.94 C ATOM 950 C ASN A 60 12.023 2.490 3.721 1.00 14.16 C ATOM 951 O ASN A 60 12.485 1.855 4.671 1.00 14.26 O ATOM 952 CB ASN A 60 13.204 4.655 4.466 1.00 19.23 C ATOM 953 CG ASN A 60 13.884 5.961 4.116 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.712 6.920 4.812 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.736 6.057 3.058 1.00 24.09 N ATOM 0 H ASN A 60 11.693 4.830 1.602 1.00 12.38 H new ATOM 0 HA ASN A 60 13.342 3.671 2.587 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.437 4.862 5.212 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.941 4.006 4.939 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.217 6.937 2.868 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.894 5.249 2.455 1.00 24.09 H new ATOM 962 N ILE A 61 11.040 1.945 2.936 1.00 11.08 N ATOM 963 CA ILE A 61 10.422 0.642 3.109 1.00 11.78 C ATOM 964 C ILE A 61 11.377 -0.417 2.454 1.00 13.74 C ATOM 965 O ILE A 61 11.556 -0.546 1.206 1.00 14.60 O ATOM 966 CB ILE A 61 9.017 0.588 2.370 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.012 1.597 3.033 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.487 -0.856 2.534 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.653 1.652 2.283 1.00 11.42 C ATOM 0 H ILE A 61 10.658 2.448 2.135 1.00 11.08 H new ATOM 0 HA ILE A 61 10.264 0.443 4.169 1.00 11.78 H new ATOM 0 HB ILE A 61 9.120 0.860 1.320 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.841 1.308 4.070 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.457 2.592 3.049 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.519 -0.946 2.041 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.191 -1.555 2.082 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.377 -1.085 3.594 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.992 2.363 2.779 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.818 1.968 1.253 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.193 0.664 2.290 1.00 11.42 H new ATOM 981 N GLN A 62 12.003 -1.155 3.407 1.00 13.97 N ATOM 982 CA GLN A 62 12.970 -2.202 3.141 1.00 15.52 C ATOM 983 C GLN A 62 12.229 -3.509 3.039 1.00 13.94 C ATOM 984 O GLN A 62 11.026 -3.599 3.317 1.00 12.15 O ATOM 985 CB GLN A 62 14.132 -2.254 4.166 1.00 19.53 C ATOM 986 CG GLN A 62 14.911 -0.885 4.197 1.00 26.38 C ATOM 987 CD GLN A 62 15.658 -0.557 2.923 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.155 -1.359 2.146 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.815 0.777 2.746 1.00 32.71 N ATOM 0 H GLN A 62 11.830 -1.019 4.403 1.00 13.97 H new ATOM 0 HA GLN A 62 13.468 -1.984 2.196 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.739 -2.476 5.158 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.816 -3.061 3.906 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.202 -0.083 4.404 1.00 26.38 H new ATOM 0 HG3 GLN A 62 15.621 -0.904 5.024 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.393 1.432 3.404 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.355 1.126 1.954 1.00 32.71 H new ATOM 998 N LYS A 63 12.899 -4.556 2.526 1.00 11.73 N ATOM 999 CA LYS A 63 12.455 -5.888 2.500 1.00 11.97 C ATOM 1000 C LYS A 63 11.792 -6.503 3.735 1.00 10.41 C ATOM 1001 O LYS A 63 12.199 -6.164 4.874 1.00 9.59 O ATOM 1002 CB LYS A 63 13.596 -6.915 2.033 1.00 13.73 C ATOM 1003 CG LYS A 63 14.652 -7.301 3.015 1.00 16.98 C ATOM 1004 CD LYS A 63 15.659 -8.457 2.685 1.00 20.19 C ATOM 1005 CE LYS A 63 16.736 -8.732 3.762 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.087 -9.105 4.967 1.00 25.97 N ATOM 0 H LYS A 63 13.820 -4.446 2.101 1.00 11.73 H new ATOM 0 HA LYS A 63 11.650 -5.762 1.776 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.104 -7.828 1.700 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.093 -6.485 1.163 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.243 -6.408 3.220 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.147 -7.569 3.943 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.092 -9.373 2.521 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.161 -8.221 1.747 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.407 -9.526 3.432 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.347 -7.844 3.921 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.692 -9.764 5.498 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.910 -8.257 5.543 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.182 -9.568 4.745 1.00 25.97 H new ATOM 1020 N GLU A 64 10.759 -7.397 3.564 1.00 10.04 N ATOM 1021 CA GLU A 64 9.956 -8.051 4.588 1.00 10.94 C ATOM 1022 C GLU A 64 9.231 -7.047 5.490 1.00 9.74 C ATOM 1023 O GLU A 64 8.995 -7.328 6.653 1.00 9.42 O ATOM 1024 CB GLU A 64 10.840 -9.012 5.413 1.00 18.31 C ATOM 1025 CG GLU A 64 11.723 -9.966 4.579 1.00 24.16 C ATOM 1026 CD GLU A 64 12.843 -10.786 5.356 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.517 -11.448 6.337 1.00 32.61 O ATOM 1028 OE2 GLU A 64 13.952 -10.735 4.792 1.00 31.72 O ATOM 0 H GLU A 64 10.468 -7.680 2.628 1.00 10.04 H new ATOM 0 HA GLU A 64 9.179 -8.627 4.086 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.484 -8.421 6.063 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.196 -9.609 6.059 1.00 18.31 H new ATOM 0 HG2 GLU A 64 11.069 -10.679 4.077 1.00 24.16 H new ATOM 0 HG3 GLU A 64 12.212 -9.380 3.801 1.00 24.16 H new ATOM 1035 N SER A 65 8.998 -5.803 5.001 1.00 6.85 N ATOM 1036 CA SER A 65 8.245 -4.809 5.836 1.00 6.90 C ATOM 1037 C SER A 65 6.766 -5.231 5.909 1.00 4.72 C ATOM 1038 O SER A 65 6.284 -5.956 5.049 1.00 3.91 O ATOM 1039 CB SER A 65 8.225 -3.450 5.138 1.00 7.28 C ATOM 1040 OG SER A 65 9.480 -2.810 5.289 1.00 10.56 O ATOM 0 H SER A 65 9.298 -5.468 4.085 1.00 6.85 H new ATOM 0 HA SER A 65 8.723 -4.761 6.814 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.998 -3.579 4.080 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.436 -2.827 5.560 1.00 7.28 H new ATOM 0 HG SER A 65 10.004 -2.919 4.468 1.00 10.56 H new ATOM 1046 N THR A 66 6.075 -4.692 6.902 1.00 4.48 N ATOM 1047 CA THR A 66 4.615 -4.772 6.964 1.00 3.80 C ATOM 1048 C THR A 66 3.930 -3.409 6.706 1.00 4.60 C ATOM 1049 O THR A 66 4.237 -2.394 7.333 1.00 5.33 O ATOM 1050 CB THR A 66 3.952 -5.343 8.292 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.418 -6.654 8.494 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.432 -5.419 8.198 1.00 3.40 C ATOM 0 H THR A 66 6.500 -4.191 7.682 1.00 4.48 H new ATOM 0 HA THR A 66 4.441 -5.501 6.173 1.00 3.80 H new ATOM 0 HB THR A 66 4.221 -4.669 9.106 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.020 -7.021 9.311 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.029 -5.815 9.130 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.028 -4.422 8.023 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.151 -6.074 7.374 1.00 3.40 H new ATOM 1060 N LEU A 67 3.037 -3.438 5.679 1.00 4.17 N ATOM 1061 CA LEU A 67 2.156 -2.402 5.239 1.00 3.85 C ATOM 1062 C LEU A 67 0.781 -2.661 5.768 1.00 3.80 C ATOM 1063 O LEU A 67 0.275 -3.777 5.684 1.00 5.54 O ATOM 1064 CB LEU A 67 2.214 -2.349 3.677 1.00 7.18 C ATOM 1065 CG LEU A 67 3.334 -1.344 3.086 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.724 -1.886 3.303 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.068 -1.192 1.575 1.00 11.66 C ATOM 0 H LEU A 67 2.932 -4.277 5.109 1.00 4.17 H new ATOM 0 HA LEU A 67 2.456 -1.426 5.620 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.407 -3.353 3.298 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.237 -2.048 3.299 1.00 7.18 H new ATOM 0 HG LEU A 67 3.272 -0.384 3.598 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.455 -1.188 2.895 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.902 -2.014 4.371 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.822 -2.848 2.801 1.00 8.12 H new ATOM 0 HD21 LEU A 67 3.807 -0.518 1.141 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.139 -2.167 1.093 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.070 -0.783 1.421 1.00 11.66 H new ATOM 1079 N HIS A 68 0.070 -1.660 6.355 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.366 -1.752 6.653 1.00 4.17 C ATOM 1081 C HIS A 68 -2.288 -1.181 5.627 1.00 5.32 C ATOM 1082 O HIS A 68 -2.099 -0.048 5.182 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.658 -1.001 7.976 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.699 -1.422 9.023 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.366 -0.668 9.438 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.628 -2.550 9.768 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.071 -1.387 10.363 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.444 -2.501 10.700 1.00 16.30 N ATOM 0 H HIS A 68 0.487 -0.771 6.631 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.563 -2.823 6.694 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.585 0.075 7.816 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.678 -1.206 8.302 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -1.304 -3.386 9.666 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.024 -1.082 10.769 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.673 -3.161 11.443 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.288 -2.023 5.196 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.276 -1.523 4.255 1.00 3.97 C ATOM 1098 C LEU A 69 -5.564 -1.168 5.028 1.00 5.07 C ATOM 1099 O LEU A 69 -6.212 -2.067 5.611 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.613 -2.562 3.185 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.691 -2.282 2.165 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.612 -0.891 1.512 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.538 -3.432 1.062 1.00 9.96 C ATOM 0 H LEU A 69 -3.405 -2.995 5.484 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.861 -0.645 3.759 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.695 -2.769 2.636 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.889 -3.481 3.703 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.662 -2.282 2.659 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.425 -0.779 0.794 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.698 -0.123 2.280 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.657 -0.784 0.998 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.290 -3.294 0.286 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.544 -3.380 0.617 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.675 -4.406 1.531 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.895 0.163 5.052 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.130 0.638 5.589 1.00 6.26 C ATOM 1117 C VAL A 70 -7.985 1.312 4.525 1.00 9.22 C ATOM 1118 O VAL A 70 -7.518 2.127 3.760 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.936 1.468 6.853 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.398 0.554 7.946 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.866 2.604 6.701 1.00 8.54 C ATOM 0 H VAL A 70 -5.289 0.900 4.692 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.701 -0.231 5.915 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.905 1.916 7.075 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.251 1.128 8.861 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.111 -0.249 8.132 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.446 0.128 7.628 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.782 3.152 7.639 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -4.901 2.164 6.450 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.170 3.287 5.908 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.326 1.029 4.455 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.205 1.538 3.475 1.00 16.06 C ATOM 1133 C LEU A 71 -10.840 2.878 3.930 1.00 18.09 C ATOM 1134 O LEU A 71 -11.498 2.978 4.961 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.276 0.554 3.047 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.731 -0.754 2.421 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.876 -1.597 1.754 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.695 -0.417 1.305 1.00 19.57 C ATOM 0 H LEU A 71 -9.790 0.415 5.125 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.589 1.720 2.594 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.886 0.301 3.914 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.933 1.041 2.326 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.275 -1.328 3.228 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.456 -2.507 1.326 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.620 -1.860 2.506 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.348 -1.010 0.966 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.316 -1.341 0.869 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.176 0.179 0.530 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.868 0.147 1.735 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.578 3.963 3.208 1.00 21.47 N ATOM 1151 CA ARG A 72 -10.972 5.333 3.573 1.00 25.83 C ATOM 1152 C ARG A 72 -12.333 5.727 3.110 1.00 27.74 C ATOM 1153 O ARG A 72 -12.922 5.123 2.253 1.00 30.65 O ATOM 1154 CB ARG A 72 -9.938 6.379 3.061 1.00 28.49 C ATOM 1155 CG ARG A 72 -9.684 6.186 1.612 1.00 31.79 C ATOM 1156 CD ARG A 72 -8.819 7.356 1.069 1.00 34.05 C ATOM 1157 NE ARG A 72 -9.584 8.680 1.235 1.00 35.08 N ATOM 1158 CZ ARG A 72 -9.059 9.812 0.743 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -8.013 9.851 -0.119 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -9.490 10.972 1.199 1.00 35.02 N ATOM 0 H ARG A 72 -10.070 3.919 2.324 1.00 21.47 H new ATOM 0 HA ARG A 72 -10.995 5.327 4.663 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.311 7.387 3.240 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -9.006 6.281 3.617 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -9.174 5.237 1.446 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -10.629 6.139 1.071 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -7.872 7.401 1.606 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -8.582 7.190 0.018 1.00 34.05 H new ATOM 0 HE ARG A 72 -10.484 8.697 1.715 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -7.577 8.983 -0.431 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -7.662 10.748 -0.455 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -10.214 11.001 1.917 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -9.099 11.841 0.834 1.00 35.02 H new ATOM 1174 N LEU A 73 -12.901 6.818 3.644 1.00 28.93 N ATOM 1175 CA LEU A 73 -13.971 7.590 2.982 1.00 30.76 C ATOM 1176 C LEU A 73 -13.348 8.512 1.949 1.00 32.18 C ATOM 1177 O LEU A 73 -12.206 8.964 2.079 1.00 32.31 O ATOM 1178 CB LEU A 73 -14.799 8.452 3.945 1.00 30.53 C ATOM 1179 CG LEU A 73 -15.429 7.658 5.062 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -16.149 8.560 6.107 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.522 6.728 4.536 1.00 29.11 C ATOM 0 H LEU A 73 -12.632 7.195 4.553 1.00 28.93 H new ATOM 0 HA LEU A 73 -14.645 6.859 2.535 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -14.159 9.224 4.373 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -15.582 8.962 3.384 1.00 30.53 H new ATOM 0 HG LEU A 73 -14.599 7.115 5.514 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -16.584 7.936 6.888 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -15.430 9.248 6.551 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -16.938 9.128 5.615 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -16.956 6.170 5.366 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.299 7.318 4.050 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -16.092 6.031 3.816 1.00 29.11 H new ATOM 1193 N ARG A 74 -13.994 8.800 0.804 1.00 33.82 N ATOM 1194 CA ARG A 74 -13.364 9.429 -0.308 1.00 35.33 C ATOM 1195 C ARG A 74 -13.069 10.925 -0.003 1.00 36.22 C ATOM 1196 O ARG A 74 -12.162 11.523 -0.546 1.00 36.70 O ATOM 1197 CB ARG A 74 -14.208 9.409 -1.661 1.00 36.91 C ATOM 1198 CG ARG A 74 -14.633 8.012 -2.201 1.00 38.62 C ATOM 1199 CD ARG A 74 -13.429 7.096 -2.495 1.00 39.75 C ATOM 1200 NE ARG A 74 -13.965 5.745 -2.713 1.00 41.13 N ATOM 1201 CZ ARG A 74 -14.154 5.205 -3.946 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -13.971 5.900 -5.081 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -14.656 3.984 -4.082 1.00 41.93 N ATOM 0 H ARG A 74 -14.980 8.589 0.651 1.00 33.82 H new ATOM 0 HA ARG A 74 -12.459 8.841 -0.457 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -15.109 10.003 -1.508 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -13.624 9.909 -2.434 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -15.283 7.528 -1.472 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -15.217 8.142 -3.112 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -12.886 7.442 -3.374 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -12.726 7.103 -1.662 1.00 39.75 H new ATOM 0 HE ARG A 74 -14.208 5.184 -1.897 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -13.678 6.876 -5.040 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -14.125 5.452 -5.984 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -14.905 3.440 -3.256 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -14.793 3.590 -5.013 1.00 41.93 H new ATOM 1217 N GLY A 75 -13.938 11.573 0.828 1.00 36.31 N ATOM 1218 CA GLY A 75 -13.655 12.903 1.305 1.00 36.07 C ATOM 1219 C GLY A 75 -12.972 12.898 2.679 1.00 36.16 C ATOM 1220 O GLY A 75 -12.925 13.974 3.229 1.00 36.26 O ATOM 0 H GLY A 75 -14.818 11.179 1.160 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -13.016 13.416 0.586 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -14.584 13.470 1.366 1.00 36.07 H new ATOM 1224 N GLY A 76 -12.543 11.763 3.277 1.00 36.05 N ATOM 1225 CA GLY A 76 -11.913 11.710 4.584 1.00 36.19 C ATOM 1226 C GLY A 76 -10.609 10.874 4.498 1.00 36.20 C ATOM 1227 O GLY A 76 -9.709 11.345 3.774 1.00 0.00 O ATOM 1228 OXT GLY A 76 -10.470 9.865 5.213 1.00 0.00 O ATOM 0 H GLY A 76 -12.635 10.846 2.841 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -11.689 12.718 4.932 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -12.594 11.266 5.310 1.00 36.19 H new TER 1232 GLY A 76