USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 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 22 THR OG1 : rot -59:sc= 0.483 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.711 K(o=1.2,f=-5.4!) USER MOD Single : A 1 MET CE :methyl -152:sc= -0.0415 (180deg=-0.716) USER MOD Single : A 1 MET N :NH3+ 177:sc= 1.25 (180deg=1.24) USER MOD Single : A 2 GLN : amide:sc= -0.0286 X(o=-0.029,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.239 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0.409 (180deg=0.409) 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 USER MOD Single : A 27 LYS NZ :NH3+ 152:sc= 1.25 (180deg=1.19) USER MOD Single : A 29 LYS NZ :NH3+ -179:sc= 0.257 (180deg=0.256) USER MOD Single : A 31 GLN : amide:sc= -0.408 K(o=-0.41,f=-1.3) USER MOD Single : A 33 LYS NZ :NH3+ -158:sc= 0.724 (180deg=0.433) USER MOD Single : A 40 GLN : amide:sc= -0.0183 X(o=-0.018,f=-0.071) USER MOD Single : A 41 GLN : amide:sc= -0.0794 K(o=-0.079,f=-3.2) 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=-0.82) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.109 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 173:sc= 1.13 USER MOD Single : A 60 ASN : amide:sc= -0.119 X(o=-0.12,f=-0.011) USER MOD Single : A 62 GLN : amide:sc= -0.0888 X(o=-0.089,f=-0.17) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0225 X(o=-0.023,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.209 4.303 -3.908 1.00 9.67 N ATOM 2 CA MET A 1 -12.851 4.680 -2.522 1.00 10.38 C ATOM 3 C MET A 1 -11.438 5.137 -2.404 1.00 9.62 C ATOM 4 O MET A 1 -10.635 4.656 -3.202 1.00 9.62 O ATOM 5 CB MET A 1 -13.105 3.656 -1.403 1.00 13.77 C ATOM 6 CG MET A 1 -12.383 2.314 -1.537 1.00 16.29 C ATOM 7 SD MET A 1 -12.717 1.259 -0.094 1.00 17.17 S ATOM 8 CE MET A 1 -11.023 0.692 0.232 1.00 16.11 C ATOM 0 H1 MET A 1 -14.185 3.944 -3.929 1.00 9.67 H new ATOM 0 H2 MET A 1 -13.133 5.137 -4.525 1.00 9.67 H new ATOM 0 H3 MET A 1 -12.561 3.563 -4.245 1.00 9.67 H new ATOM 0 HA MET A 1 -13.563 5.487 -2.352 1.00 10.38 H new ATOM 0 HB2 MET A 1 -12.816 4.107 -0.454 1.00 13.77 H new ATOM 0 HB3 MET A 1 -14.177 3.464 -1.351 1.00 13.77 H new ATOM 0 HG2 MET A 1 -12.709 1.809 -2.446 1.00 16.29 H new ATOM 0 HG3 MET A 1 -11.310 2.480 -1.632 1.00 16.29 H new ATOM 0 HE1 MET A 1 -11.053 -0.288 0.708 1.00 16.11 H new ATOM 0 HE2 MET A 1 -10.475 0.622 -0.708 1.00 16.11 H new ATOM 0 HE3 MET A 1 -10.523 1.401 0.892 1.00 16.11 H new ATOM 20 N GLN A 2 -11.163 6.074 -1.479 1.00 9.27 N ATOM 21 CA GLN A 2 -9.853 6.546 -1.155 1.00 9.07 C ATOM 22 C GLN A 2 -9.241 5.669 -0.118 1.00 8.72 C ATOM 23 O GLN A 2 -9.924 5.342 0.851 1.00 8.22 O ATOM 24 CB GLN A 2 -9.723 8.040 -0.811 1.00 14.46 C ATOM 25 CG GLN A 2 -10.070 8.860 -2.055 1.00 17.01 C ATOM 26 CD GLN A 2 -9.597 10.303 -2.159 1.00 20.10 C ATOM 27 OE1 GLN A 2 -9.092 10.715 -3.202 1.00 21.89 O ATOM 28 NE2 GLN A 2 -9.645 10.969 -0.974 1.00 19.49 N ATOM 0 H GLN A 2 -11.893 6.526 -0.929 1.00 9.27 H new ATOM 0 HA GLN A 2 -9.288 6.476 -2.085 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -10.391 8.298 0.011 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -8.709 8.265 -0.480 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -9.677 8.325 -2.919 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -11.156 8.865 -2.150 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -10.089 10.537 -0.164 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -9.237 11.900 -0.896 1.00 19.49 H new ATOM 37 N ILE A 3 -7.947 5.307 -0.186 1.00 5.87 N ATOM 38 CA ILE A 3 -7.069 4.850 0.846 1.00 5.07 C ATOM 39 C ILE A 3 -5.962 5.848 0.869 1.00 4.01 C ATOM 40 O ILE A 3 -5.527 6.334 -0.174 1.00 4.61 O ATOM 41 CB ILE A 3 -6.649 3.413 0.751 1.00 6.55 C ATOM 42 CG1 ILE A 3 -5.856 3.146 -0.539 1.00 4.72 C ATOM 43 CG2 ILE A 3 -7.797 2.458 1.118 1.00 5.58 C ATOM 44 CD1 ILE A 3 -5.428 1.707 -0.824 1.00 10.83 C ATOM 0 H ILE A 3 -7.459 5.341 -1.081 1.00 5.87 H new ATOM 0 HA ILE A 3 -7.580 4.811 1.808 1.00 5.07 H new ATOM 0 HB ILE A 3 -5.915 3.179 1.522 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -6.458 3.490 -1.380 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -4.959 3.764 -0.515 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -7.453 1.427 1.037 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -8.120 2.653 2.141 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -8.633 2.616 0.437 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -4.879 1.670 -1.765 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -4.789 1.351 -0.016 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -6.311 1.072 -0.895 1.00 10.83 H new ATOM 56 N PHE A 4 -5.375 6.080 2.056 1.00 4.55 N ATOM 57 CA PHE A 4 -4.251 6.938 2.270 1.00 4.68 C ATOM 58 C PHE A 4 -2.966 6.193 2.390 1.00 5.30 C ATOM 59 O PHE A 4 -2.770 5.460 3.358 1.00 5.58 O ATOM 60 CB PHE A 4 -4.416 7.763 3.557 1.00 4.83 C ATOM 61 CG PHE A 4 -5.494 8.788 3.468 1.00 7.97 C ATOM 62 CD1 PHE A 4 -5.393 9.811 2.555 1.00 8.34 C ATOM 63 CD2 PHE A 4 -6.582 8.685 4.301 1.00 6.69 C ATOM 64 CE1 PHE A 4 -6.392 10.751 2.456 1.00 10.61 C ATOM 65 CE2 PHE A 4 -7.595 9.605 4.161 1.00 9.10 C ATOM 66 CZ PHE A 4 -7.520 10.615 3.232 1.00 8.90 C ATOM 0 H PHE A 4 -5.704 5.643 2.917 1.00 4.55 H new ATOM 0 HA PHE A 4 -4.216 7.582 1.392 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -4.633 7.090 4.386 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -3.472 8.258 3.786 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -4.527 9.877 1.914 1.00 8.34 H new ATOM 0 HD2 PHE A 4 -6.640 7.904 5.045 1.00 6.69 H new ATOM 0 HE1 PHE A 4 -6.292 11.585 1.778 1.00 10.61 H new ATOM 0 HE2 PHE A 4 -8.467 9.532 4.794 1.00 9.10 H new ATOM 0 HZ PHE A 4 -8.345 11.301 3.111 1.00 8.90 H new ATOM 76 N VAL A 5 -1.937 6.369 1.542 1.00 4.44 N ATOM 77 CA VAL A 5 -0.676 5.730 1.758 1.00 3.87 C ATOM 78 C VAL A 5 0.373 6.693 2.196 1.00 4.93 C ATOM 79 O VAL A 5 0.679 7.667 1.511 1.00 6.84 O ATOM 80 CB VAL A 5 -0.232 5.000 0.524 1.00 2.99 C ATOM 81 CG1 VAL A 5 1.123 4.328 0.802 1.00 5.28 C ATOM 82 CG2 VAL A 5 -1.251 3.995 -0.039 1.00 9.13 C ATOM 0 H VAL A 5 -1.978 6.954 0.707 1.00 4.44 H new ATOM 0 HA VAL A 5 -0.816 5.010 2.564 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.136 5.747 -0.264 1.00 2.99 H new ATOM 0 HG11 VAL A 5 1.454 3.795 -0.089 1.00 5.28 H new ATOM 0 HG12 VAL A 5 1.859 5.088 1.065 1.00 5.28 H new ATOM 0 HG13 VAL A 5 1.018 3.624 1.628 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.839 3.519 -0.929 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -1.466 3.235 0.712 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -2.171 4.518 -0.300 1.00 9.13 H new ATOM 92 N LYS A 6 0.961 6.410 3.373 1.00 6.04 N ATOM 93 CA LYS A 6 1.877 7.351 3.939 1.00 6.12 C ATOM 94 C LYS A 6 3.276 6.893 3.709 1.00 6.57 C ATOM 95 O LYS A 6 3.519 5.694 3.583 1.00 5.76 O ATOM 96 CB LYS A 6 1.499 7.462 5.425 1.00 7.45 C ATOM 97 CG LYS A 6 1.939 8.802 6.020 1.00 11.12 C ATOM 98 CD LYS A 6 1.381 8.865 7.444 1.00 14.54 C ATOM 99 CE LYS A 6 1.545 10.260 8.051 1.00 18.84 C ATOM 100 NZ LYS A 6 0.991 10.354 9.420 1.00 20.55 N ATOM 0 H LYS A 6 0.810 5.560 3.917 1.00 6.04 H new ATOM 0 HA LYS A 6 1.819 8.338 3.479 1.00 6.12 H new ATOM 0 HB2 LYS A 6 0.420 7.351 5.536 1.00 7.45 H new ATOM 0 HB3 LYS A 6 1.962 6.647 5.981 1.00 7.45 H new ATOM 0 HG2 LYS A 6 3.026 8.882 6.028 1.00 11.12 H new ATOM 0 HG3 LYS A 6 1.563 9.632 5.421 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.325 8.593 7.434 1.00 14.54 H new ATOM 0 HD3 LYS A 6 1.893 8.133 8.069 1.00 14.54 H new ATOM 0 HE2 LYS A 6 2.603 10.521 8.073 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.050 10.991 7.412 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.128 11.318 9.784 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.025 10.133 9.399 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 1.480 9.677 10.040 1.00 20.55 H new ATOM 114 N THR A 7 4.237 7.789 3.420 1.00 7.41 N ATOM 115 CA THR A 7 5.632 7.478 3.362 1.00 7.48 C ATOM 116 C THR A 7 6.245 7.542 4.718 1.00 8.75 C ATOM 117 O THR A 7 5.565 7.738 5.724 1.00 8.58 O ATOM 118 CB THR A 7 6.300 8.261 2.271 1.00 9.61 C ATOM 119 OG1 THR A 7 6.338 9.647 2.578 1.00 11.78 O ATOM 120 CG2 THR A 7 5.465 8.182 0.982 1.00 9.17 C ATOM 0 H THR A 7 4.034 8.768 3.219 1.00 7.41 H new ATOM 0 HA THR A 7 5.789 6.441 3.066 1.00 7.48 H new ATOM 0 HB THR A 7 7.300 7.842 2.161 1.00 9.61 H new ATOM 0 HG1 THR A 7 6.780 10.131 1.850 1.00 11.78 H new ATOM 0 HG21 THR A 7 5.957 8.753 0.194 1.00 9.17 H new ATOM 0 HG22 THR A 7 5.372 7.141 0.672 1.00 9.17 H new ATOM 0 HG23 THR A 7 4.473 8.596 1.165 1.00 9.17 H new ATOM 128 N LEU A 8 7.537 7.203 4.873 1.00 9.84 N ATOM 129 CA LEU A 8 8.249 7.147 6.112 1.00 14.15 C ATOM 130 C LEU A 8 8.321 8.444 6.840 1.00 17.37 C ATOM 131 O LEU A 8 8.008 8.612 8.018 1.00 17.01 O ATOM 132 CB LEU A 8 9.675 6.605 5.919 1.00 16.63 C ATOM 133 CG LEU A 8 10.615 6.450 7.126 1.00 18.88 C ATOM 134 CD1 LEU A 8 10.243 5.179 7.909 1.00 18.59 C ATOM 135 CD2 LEU A 8 12.059 6.296 6.619 1.00 19.31 C ATOM 0 H LEU A 8 8.124 6.951 4.078 1.00 9.84 H new ATOM 0 HA LEU A 8 7.664 6.464 6.728 1.00 14.15 H new ATOM 0 HB2 LEU A 8 9.587 5.625 5.450 1.00 16.63 H new ATOM 0 HB3 LEU A 8 10.174 7.257 5.203 1.00 16.63 H new ATOM 0 HG LEU A 8 10.524 7.326 7.769 1.00 18.88 H new ATOM 0 HD11 LEU A 8 10.910 5.070 8.764 1.00 18.59 H new ATOM 0 HD12 LEU A 8 9.214 5.256 8.259 1.00 18.59 H new ATOM 0 HD13 LEU A 8 10.342 4.309 7.259 1.00 18.59 H new ATOM 0 HD21 LEU A 8 12.733 6.185 7.468 1.00 19.31 H new ATOM 0 HD22 LEU A 8 12.129 5.414 5.983 1.00 19.31 H new ATOM 0 HD23 LEU A 8 12.340 7.180 6.046 1.00 19.31 H new ATOM 147 N THR A 9 8.727 9.508 6.124 1.00 18.33 N ATOM 148 CA THR A 9 8.889 10.880 6.495 1.00 19.24 C ATOM 149 C THR A 9 7.568 11.440 6.895 1.00 19.48 C ATOM 150 O THR A 9 7.403 11.878 8.033 1.00 23.14 O ATOM 151 CB THR A 9 9.665 11.718 5.523 1.00 18.97 C ATOM 152 OG1 THR A 9 9.034 11.797 4.254 1.00 20.24 O ATOM 153 CG2 THR A 9 11.078 11.136 5.349 1.00 19.70 C ATOM 0 H THR A 9 8.976 9.381 5.143 1.00 18.33 H new ATOM 0 HA THR A 9 9.546 10.913 7.364 1.00 19.24 H new ATOM 0 HB THR A 9 9.715 12.726 5.934 1.00 18.97 H new ATOM 0 HG1 THR A 9 9.574 12.354 3.654 1.00 20.24 H new ATOM 0 HG21 THR A 9 11.639 11.747 4.642 1.00 19.70 H new ATOM 0 HG22 THR A 9 11.591 11.131 6.311 1.00 19.70 H new ATOM 0 HG23 THR A 9 11.007 10.116 4.970 1.00 19.70 H new ATOM 161 N GLY A 10 6.592 11.366 5.973 1.00 19.43 N ATOM 162 CA GLY A 10 5.194 11.576 6.187 1.00 18.74 C ATOM 163 C GLY A 10 4.599 12.355 5.065 1.00 17.62 C ATOM 164 O GLY A 10 3.859 13.310 5.294 1.00 19.74 O ATOM 0 H GLY A 10 6.799 11.141 5.000 1.00 19.43 H new ATOM 0 HA2 GLY A 10 4.687 10.615 6.278 1.00 18.74 H new ATOM 0 HA3 GLY A 10 5.041 12.107 7.126 1.00 18.74 H new ATOM 168 N LYS A 11 4.806 12.016 3.780 1.00 13.56 N ATOM 169 CA LYS A 11 3.985 12.458 2.695 1.00 11.91 C ATOM 170 C LYS A 11 2.900 11.486 2.384 1.00 10.18 C ATOM 171 O LYS A 11 3.016 10.277 2.580 1.00 9.10 O ATOM 172 CB LYS A 11 4.878 12.578 1.449 1.00 13.43 C ATOM 173 CG LYS A 11 4.087 13.281 0.344 1.00 16.69 C ATOM 174 CD LYS A 11 5.011 13.376 -0.872 1.00 17.92 C ATOM 175 CE LYS A 11 5.287 12.033 -1.552 1.00 20.81 C ATOM 176 NZ LYS A 11 6.107 12.229 -2.768 1.00 21.93 N ATOM 0 H LYS A 11 5.573 11.412 3.485 1.00 13.56 H new ATOM 0 HA LYS A 11 3.527 13.407 2.975 1.00 11.91 H new ATOM 0 HB2 LYS A 11 5.781 13.141 1.684 1.00 13.43 H new ATOM 0 HB3 LYS A 11 5.196 11.590 1.116 1.00 13.43 H new ATOM 0 HG2 LYS A 11 3.184 12.722 0.100 1.00 16.69 H new ATOM 0 HG3 LYS A 11 3.770 14.273 0.667 1.00 16.69 H new ATOM 0 HD2 LYS A 11 4.568 14.056 -1.600 1.00 17.92 H new ATOM 0 HD3 LYS A 11 5.959 13.816 -0.561 1.00 17.92 H new ATOM 0 HE2 LYS A 11 5.804 11.368 -0.861 1.00 20.81 H new ATOM 0 HE3 LYS A 11 4.345 11.551 -1.815 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 6.286 11.309 -3.218 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 5.600 12.847 -3.433 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 7.013 12.669 -2.509 1.00 21.93 H new ATOM 190 N THR A 12 1.697 11.951 2.002 1.00 9.63 N ATOM 191 CA THR A 12 0.505 11.215 1.717 1.00 9.85 C ATOM 192 C THR A 12 0.148 11.185 0.270 1.00 11.66 C ATOM 193 O THR A 12 -0.172 12.151 -0.421 1.00 12.33 O ATOM 194 CB THR A 12 -0.763 11.528 2.455 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.566 11.542 3.861 1.00 10.91 O ATOM 196 CG2 THR A 12 -1.968 10.600 2.230 1.00 9.63 C ATOM 0 H THR A 12 1.547 12.953 1.881 1.00 9.63 H new ATOM 0 HA THR A 12 0.848 10.253 2.099 1.00 9.85 H new ATOM 0 HB THR A 12 -1.006 12.501 2.028 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.413 11.751 4.308 1.00 10.91 H new ATOM 0 HG21 THR A 12 -2.811 10.948 2.826 1.00 9.63 H new ATOM 0 HG22 THR A 12 -2.242 10.608 1.175 1.00 9.63 H new ATOM 0 HG23 THR A 12 -1.706 9.585 2.529 1.00 9.63 H new ATOM 204 N ILE A 13 0.388 9.965 -0.241 1.00 10.42 N ATOM 205 CA ILE A 13 -0.010 9.486 -1.529 1.00 11.84 C ATOM 206 C ILE A 13 -1.394 8.940 -1.445 1.00 10.55 C ATOM 207 O ILE A 13 -1.661 8.029 -0.662 1.00 11.92 O ATOM 208 CB ILE A 13 0.863 8.354 -1.983 1.00 14.86 C ATOM 209 CG1 ILE A 13 2.362 8.681 -1.876 1.00 14.87 C ATOM 210 CG2 ILE A 13 0.486 7.912 -3.407 1.00 17.08 C ATOM 211 CD1 ILE A 13 3.276 7.458 -1.932 1.00 16.46 C ATOM 0 H ILE A 13 0.900 9.259 0.288 1.00 10.42 H new ATOM 0 HA ILE A 13 0.063 10.322 -2.224 1.00 11.84 H new ATOM 0 HB ILE A 13 0.682 7.520 -1.304 1.00 14.86 H new ATOM 0 HG12 ILE A 13 2.633 9.360 -2.684 1.00 14.87 H new ATOM 0 HG13 ILE A 13 2.541 9.212 -0.941 1.00 14.87 H new ATOM 0 HG21 ILE A 13 1.132 7.090 -3.716 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.553 7.583 -3.423 1.00 17.08 H new ATOM 0 HG23 ILE A 13 0.612 8.750 -4.093 1.00 17.08 H new ATOM 0 HD11 ILE A 13 4.315 7.776 -1.850 1.00 16.46 H new ATOM 0 HD12 ILE A 13 3.036 6.786 -1.108 1.00 16.46 H new ATOM 0 HD13 ILE A 13 3.130 6.937 -2.878 1.00 16.46 H new ATOM 223 N THR A 14 -2.374 9.516 -2.163 1.00 9.39 N ATOM 224 CA THR A 14 -3.702 8.988 -2.110 1.00 9.63 C ATOM 225 C THR A 14 -3.966 8.192 -3.342 1.00 11.20 C ATOM 226 O THR A 14 -3.655 8.676 -4.429 1.00 11.63 O ATOM 227 CB THR A 14 -4.773 10.011 -1.871 1.00 10.38 C ATOM 228 OG1 THR A 14 -4.407 11.129 -1.077 1.00 16.30 O ATOM 229 CG2 THR A 14 -5.950 9.363 -1.122 1.00 11.66 C ATOM 0 H THR A 14 -2.253 10.329 -2.767 1.00 9.39 H new ATOM 0 HA THR A 14 -3.749 8.344 -1.232 1.00 9.63 H new ATOM 0 HB THR A 14 -5.007 10.368 -2.874 1.00 10.38 H new ATOM 0 HG1 THR A 14 -5.175 11.731 -0.986 1.00 16.30 H new ATOM 0 HG21 THR A 14 -6.726 10.108 -0.950 1.00 11.66 H new ATOM 0 HG22 THR A 14 -6.357 8.547 -1.720 1.00 11.66 H new ATOM 0 HG23 THR A 14 -5.602 8.974 -0.165 1.00 11.66 H new ATOM 237 N LEU A 15 -4.491 6.958 -3.234 1.00 8.29 N ATOM 238 CA LEU A 15 -4.835 6.163 -4.371 1.00 9.03 C ATOM 239 C LEU A 15 -6.275 5.797 -4.255 1.00 8.59 C ATOM 240 O LEU A 15 -6.753 5.381 -3.201 1.00 7.79 O ATOM 241 CB LEU A 15 -4.043 4.856 -4.547 1.00 11.08 C ATOM 242 CG LEU A 15 -2.515 5.022 -4.607 1.00 15.79 C ATOM 243 CD1 LEU A 15 -2.032 6.170 -5.509 1.00 15.27 C ATOM 244 CD2 LEU A 15 -1.890 5.056 -3.203 1.00 15.88 C ATOM 0 H LEU A 15 -4.680 6.504 -2.340 1.00 8.29 H new ATOM 0 HA LEU A 15 -4.594 6.779 -5.238 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -4.288 4.187 -3.722 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -4.376 4.368 -5.463 1.00 11.08 H new ATOM 0 HG LEU A 15 -2.145 4.125 -5.104 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.943 6.213 -5.491 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -2.372 5.998 -6.530 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -2.439 7.114 -5.146 1.00 15.27 H new ATOM 0 HD21 LEU A 15 -0.810 5.174 -3.288 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -2.303 5.893 -2.641 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -2.113 4.124 -2.683 1.00 15.88 H new ATOM 256 N GLU A 16 -7.037 5.930 -5.356 1.00 11.04 N ATOM 257 CA GLU A 16 -8.461 5.807 -5.324 1.00 11.50 C ATOM 258 C GLU A 16 -8.773 4.531 -6.026 1.00 10.13 C ATOM 259 O GLU A 16 -8.411 4.372 -7.191 1.00 9.83 O ATOM 260 CB GLU A 16 -9.191 6.981 -5.999 1.00 17.22 C ATOM 261 CG GLU A 16 -10.719 6.914 -5.966 1.00 23.33 C ATOM 262 CD GLU A 16 -11.313 8.295 -6.205 1.00 26.99 C ATOM 263 OE1 GLU A 16 -11.262 8.813 -7.353 1.00 28.86 O ATOM 264 OE2 GLU A 16 -11.782 8.830 -5.165 1.00 28.90 O ATOM 0 H GLU A 16 -6.658 6.126 -6.283 1.00 11.04 H new ATOM 0 HA GLU A 16 -8.807 5.815 -4.290 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -8.875 7.907 -5.518 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -8.870 7.036 -7.039 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -11.076 6.220 -6.727 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -11.052 6.529 -5.002 1.00 23.33 H new ATOM 271 N VAL A 17 -9.320 3.536 -5.305 1.00 8.99 N ATOM 272 CA VAL A 17 -9.216 2.133 -5.562 1.00 8.85 C ATOM 273 C VAL A 17 -10.591 1.603 -5.341 1.00 8.04 C ATOM 274 O VAL A 17 -11.526 2.308 -4.965 1.00 8.99 O ATOM 275 CB VAL A 17 -8.260 1.433 -4.642 1.00 9.78 C ATOM 276 CG1 VAL A 17 -6.848 1.975 -4.921 1.00 12.05 C ATOM 277 CG2 VAL A 17 -8.699 1.656 -3.185 1.00 10.54 C ATOM 0 H VAL A 17 -9.880 3.730 -4.475 1.00 8.99 H new ATOM 0 HA VAL A 17 -8.833 1.963 -6.568 1.00 8.85 H new ATOM 0 HB VAL A 17 -8.255 0.356 -4.812 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -6.132 1.481 -4.264 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -6.582 1.779 -5.960 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -6.828 3.049 -4.738 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -8.006 1.148 -2.514 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -8.701 2.724 -2.965 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -9.702 1.254 -3.042 1.00 10.54 H new ATOM 287 N GLU A 18 -10.754 0.289 -5.576 1.00 7.29 N ATOM 288 CA GLU A 18 -11.890 -0.509 -5.232 1.00 7.08 C ATOM 289 C GLU A 18 -11.465 -1.453 -4.160 1.00 6.45 C ATOM 290 O GLU A 18 -10.269 -1.557 -3.894 1.00 5.28 O ATOM 291 CB GLU A 18 -12.545 -1.233 -6.419 1.00 10.28 C ATOM 292 CG GLU A 18 -13.215 -0.414 -7.525 1.00 12.65 C ATOM 293 CD GLU A 18 -14.232 0.584 -6.990 1.00 14.15 C ATOM 294 OE1 GLU A 18 -14.968 0.223 -6.033 1.00 14.33 O ATOM 295 OE2 GLU A 18 -14.131 1.765 -7.417 1.00 18.17 O ATOM 0 H GLU A 18 -10.032 -0.258 -6.045 1.00 7.29 H new ATOM 0 HA GLU A 18 -12.680 0.152 -4.877 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -11.779 -1.850 -6.888 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -13.296 -1.911 -6.014 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -12.450 0.121 -8.088 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -13.709 -1.090 -8.222 1.00 12.65 H new ATOM 302 N PRO A 19 -12.298 -2.205 -3.504 1.00 7.24 N ATOM 303 CA PRO A 19 -11.868 -3.095 -2.465 1.00 7.07 C ATOM 304 C PRO A 19 -11.314 -4.315 -3.116 1.00 6.65 C ATOM 305 O PRO A 19 -10.637 -5.097 -2.450 1.00 6.37 O ATOM 306 CB PRO A 19 -13.136 -3.467 -1.699 1.00 7.61 C ATOM 307 CG PRO A 19 -13.911 -2.140 -1.751 1.00 8.16 C ATOM 308 CD PRO A 19 -13.668 -1.800 -3.230 1.00 7.49 C ATOM 0 HA PRO A 19 -11.115 -2.656 -1.810 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -13.681 -4.282 -2.175 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -12.923 -3.780 -0.677 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -14.968 -2.256 -1.511 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -13.510 -1.388 -1.071 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -14.370 -2.330 -3.874 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -13.806 -0.735 -3.415 1.00 7.49 H new ATOM 316 N SER A 20 -11.567 -4.507 -4.423 1.00 6.80 N ATOM 317 CA SER A 20 -11.183 -5.659 -5.177 1.00 6.28 C ATOM 318 C SER A 20 -9.882 -5.552 -5.896 1.00 8.45 C ATOM 319 O SER A 20 -9.461 -6.454 -6.620 1.00 7.26 O ATOM 320 CB SER A 20 -12.232 -5.893 -6.277 1.00 8.57 C ATOM 321 OG SER A 20 -13.534 -6.217 -5.811 1.00 11.13 O ATOM 0 H SER A 20 -12.068 -3.819 -4.985 1.00 6.80 H new ATOM 0 HA SER A 20 -11.097 -6.457 -4.440 1.00 6.28 H new ATOM 0 HB2 SER A 20 -12.296 -4.996 -6.892 1.00 8.57 H new ATOM 0 HB3 SER A 20 -11.884 -6.698 -6.924 1.00 8.57 H new ATOM 0 HG SER A 20 -14.133 -6.346 -6.576 1.00 11.13 H new ATOM 327 N ASP A 21 -9.120 -4.484 -5.603 1.00 7.50 N ATOM 328 CA ASP A 21 -7.726 -4.336 -5.885 1.00 7.70 C ATOM 329 C ASP A 21 -6.823 -5.011 -4.911 1.00 7.08 C ATOM 330 O ASP A 21 -7.005 -4.992 -3.694 1.00 8.11 O ATOM 331 CB ASP A 21 -7.511 -2.813 -5.919 1.00 11.00 C ATOM 332 CG ASP A 21 -7.895 -2.226 -7.270 1.00 15.32 C ATOM 333 OD1 ASP A 21 -7.347 -2.688 -8.307 1.00 18.03 O ATOM 334 OD2 ASP A 21 -8.764 -1.317 -7.350 1.00 14.36 O ATOM 0 H ASP A 21 -9.507 -3.665 -5.135 1.00 7.50 H new ATOM 0 HA ASP A 21 -7.467 -4.827 -6.823 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -8.105 -2.343 -5.135 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -6.466 -2.587 -5.707 1.00 11.00 H new ATOM 339 N THR A 22 -5.729 -5.664 -5.343 1.00 5.37 N ATOM 340 CA THR A 22 -4.773 -6.411 -4.587 1.00 6.01 C ATOM 341 C THR A 22 -3.687 -5.478 -4.172 1.00 8.01 C ATOM 342 O THR A 22 -3.603 -4.301 -4.520 1.00 8.11 O ATOM 343 CB THR A 22 -4.158 -7.590 -5.280 1.00 8.92 C ATOM 344 OG1 THR A 22 -3.462 -7.160 -6.441 1.00 10.22 O ATOM 345 CG2 THR A 22 -5.192 -8.672 -5.633 1.00 9.65 C ATOM 0 H THR A 22 -5.491 -5.666 -6.335 1.00 5.37 H new ATOM 0 HA THR A 22 -5.325 -6.837 -3.749 1.00 6.01 H new ATOM 0 HB THR A 22 -3.454 -8.048 -4.585 1.00 8.92 H new ATOM 0 HG1 THR A 22 -4.083 -6.700 -7.043 1.00 10.22 H new ATOM 0 HG21 THR A 22 -4.693 -9.503 -6.133 1.00 9.65 H new ATOM 0 HG22 THR A 22 -5.669 -9.031 -4.721 1.00 9.65 H new ATOM 0 HG23 THR A 22 -5.948 -8.251 -6.296 1.00 9.65 H new ATOM 353 N ILE A 23 -2.777 -5.915 -3.284 1.00 8.32 N ATOM 354 CA ILE A 23 -1.748 -5.071 -2.762 1.00 9.92 C ATOM 355 C ILE A 23 -0.760 -4.815 -3.847 1.00 10.01 C ATOM 356 O ILE A 23 -0.237 -3.704 -3.924 1.00 8.71 O ATOM 357 CB ILE A 23 -1.090 -5.547 -1.501 1.00 10.78 C ATOM 358 CG1 ILE A 23 -2.108 -5.492 -0.348 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.160 -4.746 -1.100 1.00 10.90 C ATOM 360 CD1 ILE A 23 -2.518 -4.224 0.398 1.00 12.30 C ATOM 0 H ILE A 23 -2.755 -6.869 -2.923 1.00 8.32 H new ATOM 0 HA ILE A 23 -2.229 -4.146 -2.444 1.00 9.92 H new ATOM 0 HB ILE A 23 -0.755 -6.565 -1.698 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -3.030 -5.919 -0.742 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -1.737 -6.180 0.412 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.574 -5.155 -0.178 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.905 -4.812 -1.893 1.00 10.90 H new ATOM 0 HG23 ILE A 23 -0.112 -3.702 -0.944 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -3.252 -4.474 1.164 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -1.641 -3.778 0.867 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -2.954 -3.514 -0.304 1.00 12.30 H new ATOM 372 N GLU A 24 -0.573 -5.733 -4.812 1.00 9.54 N ATOM 373 CA GLU A 24 0.074 -5.595 -6.080 1.00 11.81 C ATOM 374 C GLU A 24 -0.442 -4.443 -6.872 1.00 11.14 C ATOM 375 O GLU A 24 0.313 -3.568 -7.292 1.00 10.62 O ATOM 376 CB GLU A 24 0.046 -6.916 -6.868 1.00 19.24 C ATOM 377 CG GLU A 24 1.121 -7.113 -7.938 1.00 27.76 C ATOM 378 CD GLU A 24 1.077 -8.414 -8.726 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.113 -8.562 -9.524 1.00 34.80 O ATOM 380 OE2 GLU A 24 1.954 -9.289 -8.494 1.00 36.51 O ATOM 0 H GLU A 24 -0.918 -6.684 -4.684 1.00 9.54 H new ATOM 0 HA GLU A 24 1.120 -5.362 -5.879 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.124 -7.737 -6.155 1.00 19.24 H new ATOM 0 HB3 GLU A 24 -0.929 -7.003 -7.348 1.00 19.24 H new ATOM 0 HG2 GLU A 24 1.052 -6.286 -8.645 1.00 27.76 H new ATOM 0 HG3 GLU A 24 2.096 -7.041 -7.457 1.00 27.76 H new ATOM 387 N ASN A 25 -1.777 -4.382 -7.024 1.00 9.43 N ATOM 388 CA ASN A 25 -2.376 -3.233 -7.628 1.00 10.96 C ATOM 389 C ASN A 25 -2.077 -1.888 -7.061 1.00 9.68 C ATOM 390 O ASN A 25 -1.883 -0.931 -7.810 1.00 9.33 O ATOM 391 CB ASN A 25 -3.902 -3.420 -7.670 1.00 16.78 C ATOM 392 CG ASN A 25 -4.244 -4.622 -8.538 1.00 22.31 C ATOM 393 OD1 ASN A 25 -5.101 -5.403 -8.128 1.00 25.66 O ATOM 394 ND2 ASN A 25 -3.508 -4.825 -9.664 1.00 24.70 N ATOM 0 H ASN A 25 -2.430 -5.111 -6.736 1.00 9.43 H new ATOM 0 HA ASN A 25 -1.904 -3.204 -8.610 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -4.289 -3.565 -6.661 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -4.378 -2.524 -8.068 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -3.652 -5.666 -10.223 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -2.812 -4.136 -9.949 1.00 24.70 H new ATOM 401 N VAL A 26 -2.086 -1.771 -5.721 1.00 6.52 N ATOM 402 CA VAL A 26 -1.919 -0.525 -5.040 1.00 5.53 C ATOM 403 C VAL A 26 -0.532 -0.031 -5.264 1.00 4.42 C ATOM 404 O VAL A 26 -0.387 1.143 -5.602 1.00 3.40 O ATOM 405 CB VAL A 26 -2.333 -0.494 -3.598 1.00 3.86 C ATOM 406 CG1 VAL A 26 -2.147 0.940 -3.074 1.00 7.25 C ATOM 407 CG2 VAL A 26 -3.815 -0.846 -3.389 1.00 8.12 C ATOM 0 H VAL A 26 -2.213 -2.565 -5.094 1.00 6.52 H new ATOM 0 HA VAL A 26 -2.636 0.166 -5.485 1.00 5.53 H new ATOM 0 HB VAL A 26 -1.722 -1.230 -3.076 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -2.443 0.986 -2.026 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -1.100 1.229 -3.169 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -2.766 1.623 -3.656 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -4.052 -0.806 -2.326 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -4.438 -0.131 -3.927 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -4.007 -1.851 -3.766 1.00 8.12 H new ATOM 417 N LYS A 27 0.506 -0.883 -5.186 1.00 2.64 N ATOM 418 CA LYS A 27 1.828 -0.587 -5.645 1.00 4.14 C ATOM 419 C LYS A 27 1.960 -0.220 -7.083 1.00 5.58 C ATOM 420 O LYS A 27 2.797 0.627 -7.393 1.00 4.11 O ATOM 421 CB LYS A 27 2.843 -1.707 -5.360 1.00 3.97 C ATOM 422 CG LYS A 27 3.141 -1.867 -3.868 1.00 7.45 C ATOM 423 CD LYS A 27 4.126 -3.017 -3.647 1.00 9.02 C ATOM 424 CE LYS A 27 3.355 -4.339 -3.630 1.00 12.90 C ATOM 425 NZ LYS A 27 4.293 -5.406 -4.043 1.00 15.47 N ATOM 0 H LYS A 27 0.420 -1.817 -4.786 1.00 2.64 H new ATOM 0 HA LYS A 27 2.054 0.300 -5.054 1.00 4.14 H new ATOM 0 HB2 LYS A 27 2.459 -2.648 -5.753 1.00 3.97 H new ATOM 0 HB3 LYS A 27 3.771 -1.495 -5.891 1.00 3.97 H new ATOM 0 HG2 LYS A 27 3.557 -0.941 -3.471 1.00 7.45 H new ATOM 0 HG3 LYS A 27 2.217 -2.060 -3.324 1.00 7.45 H new ATOM 0 HD2 LYS A 27 4.875 -3.028 -4.439 1.00 9.02 H new ATOM 0 HD3 LYS A 27 4.659 -2.880 -2.706 1.00 9.02 H new ATOM 0 HE2 LYS A 27 2.960 -4.540 -2.634 1.00 12.90 H new ATOM 0 HE3 LYS A 27 2.502 -4.294 -4.308 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 4.003 -6.308 -3.614 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 4.282 -5.496 -5.079 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 5.254 -5.165 -3.726 1.00 15.47 H new ATOM 439 N ALA A 28 1.193 -0.804 -8.021 1.00 6.61 N ATOM 440 CA ALA A 28 1.060 -0.448 -9.400 1.00 7.74 C ATOM 441 C ALA A 28 0.669 0.965 -9.669 1.00 9.17 C ATOM 442 O ALA A 28 1.215 1.530 -10.615 1.00 11.45 O ATOM 443 CB ALA A 28 0.171 -1.464 -10.136 1.00 7.68 C ATOM 0 H ALA A 28 0.608 -1.606 -7.787 1.00 6.61 H new ATOM 0 HA ALA A 28 2.068 -0.500 -9.811 1.00 7.74 H new ATOM 0 HB1 ALA A 28 0.081 -1.177 -11.184 1.00 7.68 H new ATOM 0 HB2 ALA A 28 0.619 -2.455 -10.068 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.818 -1.481 -9.678 1.00 7.68 H new ATOM 449 N LYS A 29 -0.192 1.500 -8.784 1.00 8.96 N ATOM 450 CA LYS A 29 -0.558 2.879 -8.867 1.00 7.90 C ATOM 451 C LYS A 29 0.503 3.713 -8.234 1.00 6.92 C ATOM 452 O LYS A 29 0.677 4.857 -8.652 1.00 6.87 O ATOM 453 CB LYS A 29 -1.913 3.176 -8.203 1.00 10.28 C ATOM 454 CG LYS A 29 -2.963 2.272 -8.853 1.00 14.94 C ATOM 455 CD LYS A 29 -4.324 2.951 -8.689 1.00 19.69 C ATOM 456 CE LYS A 29 -5.502 2.115 -9.193 1.00 22.63 C ATOM 457 NZ LYS A 29 -6.767 2.882 -9.236 1.00 24.98 N ATOM 0 H LYS A 29 -0.630 0.985 -8.020 1.00 8.96 H new ATOM 0 HA LYS A 29 -0.658 3.124 -9.924 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -1.861 2.990 -7.130 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -2.180 4.225 -8.332 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -2.736 2.119 -9.908 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -2.966 1.289 -8.382 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -4.479 3.180 -7.635 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -4.311 3.901 -9.223 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -5.275 1.739 -10.191 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -5.630 1.247 -8.546 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -7.536 2.265 -9.568 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -6.992 3.234 -8.284 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -6.663 3.687 -9.887 1.00 24.98 H new ATOM 471 N ILE A 30 1.251 3.240 -7.221 1.00 4.57 N ATOM 472 CA ILE A 30 2.364 4.008 -6.755 1.00 5.58 C ATOM 473 C ILE A 30 3.484 4.185 -7.721 1.00 7.26 C ATOM 474 O ILE A 30 4.009 5.279 -7.922 1.00 9.46 O ATOM 475 CB ILE A 30 2.926 3.552 -5.441 1.00 5.36 C ATOM 476 CG1 ILE A 30 1.807 3.520 -4.387 1.00 2.94 C ATOM 477 CG2 ILE A 30 4.095 4.408 -4.926 1.00 2.78 C ATOM 478 CD1 ILE A 30 2.174 2.702 -3.150 1.00 2.00 C ATOM 0 H ILE A 30 1.094 2.356 -6.738 1.00 4.57 H new ATOM 0 HA ILE A 30 1.894 4.982 -6.622 1.00 5.58 H new ATOM 0 HB ILE A 30 3.332 2.555 -5.613 1.00 5.36 H new ATOM 0 HG12 ILE A 30 1.572 4.540 -4.084 1.00 2.94 H new ATOM 0 HG13 ILE A 30 0.905 3.105 -4.836 1.00 2.94 H new ATOM 0 HG21 ILE A 30 4.443 4.012 -3.972 1.00 2.78 H new ATOM 0 HG22 ILE A 30 4.910 4.383 -5.649 1.00 2.78 H new ATOM 0 HG23 ILE A 30 3.761 5.437 -4.791 1.00 2.78 H new ATOM 0 HD11 ILE A 30 1.344 2.718 -2.444 1.00 2.00 H new ATOM 0 HD12 ILE A 30 2.382 1.673 -3.443 1.00 2.00 H new ATOM 0 HD13 ILE A 30 3.059 3.131 -2.680 1.00 2.00 H new ATOM 490 N GLN A 31 3.793 3.052 -8.378 1.00 7.06 N ATOM 491 CA GLN A 31 4.648 3.011 -9.523 1.00 8.67 C ATOM 492 C GLN A 31 4.246 3.926 -10.628 1.00 10.90 C ATOM 493 O GLN A 31 5.176 4.472 -11.219 1.00 9.63 O ATOM 494 CB GLN A 31 4.822 1.575 -10.047 1.00 9.12 C ATOM 495 CG GLN A 31 5.887 1.420 -11.135 1.00 10.76 C ATOM 496 CD GLN A 31 5.883 0.055 -11.807 1.00 13.78 C ATOM 497 OE1 GLN A 31 5.247 -0.878 -11.319 1.00 14.48 O ATOM 498 NE2 GLN A 31 6.660 -0.006 -12.921 1.00 14.76 N ATOM 0 H GLN A 31 3.437 2.137 -8.104 1.00 7.06 H new ATOM 0 HA GLN A 31 5.609 3.381 -9.165 1.00 8.67 H new ATOM 0 HB2 GLN A 31 5.079 0.925 -9.210 1.00 9.12 H new ATOM 0 HB3 GLN A 31 3.867 1.227 -10.440 1.00 9.12 H new ATOM 0 HG2 GLN A 31 5.734 2.188 -11.893 1.00 10.76 H new ATOM 0 HG3 GLN A 31 6.869 1.596 -10.697 1.00 10.76 H new ATOM 0 HE21 GLN A 31 7.150 0.827 -13.247 1.00 14.76 H new ATOM 0 HE22 GLN A 31 6.753 -0.885 -13.430 1.00 14.76 H new ATOM 507 N ASP A 32 2.961 4.116 -10.974 1.00 10.93 N ATOM 508 CA ASP A 32 2.647 5.244 -11.795 1.00 14.01 C ATOM 509 C ASP A 32 2.816 6.572 -11.139 1.00 14.04 C ATOM 510 O ASP A 32 3.562 7.390 -11.675 1.00 13.39 O ATOM 511 CB ASP A 32 1.152 5.014 -12.075 1.00 18.01 C ATOM 512 CG ASP A 32 0.675 5.933 -13.191 1.00 24.33 C ATOM 513 OD1 ASP A 32 1.098 5.652 -14.344 1.00 25.17 O ATOM 514 OD2 ASP A 32 -0.247 6.747 -12.920 1.00 26.29 O ATOM 0 H ASP A 32 2.176 3.524 -10.703 1.00 10.93 H new ATOM 0 HA ASP A 32 3.310 5.293 -12.659 1.00 14.01 H new ATOM 0 HB2 ASP A 32 0.983 3.974 -12.354 1.00 18.01 H new ATOM 0 HB3 ASP A 32 0.573 5.199 -11.170 1.00 18.01 H new ATOM 519 N LYS A 33 2.213 6.831 -9.965 1.00 14.22 N ATOM 520 CA LYS A 33 2.161 8.147 -9.409 1.00 14.00 C ATOM 521 C LYS A 33 3.418 8.849 -9.027 1.00 12.37 C ATOM 522 O LYS A 33 3.664 10.025 -9.294 1.00 12.17 O ATOM 523 CB LYS A 33 1.167 8.218 -8.237 1.00 18.62 C ATOM 524 CG LYS A 33 0.348 9.510 -8.205 1.00 24.00 C ATOM 525 CD LYS A 33 -0.650 9.610 -7.049 1.00 27.61 C ATOM 526 CE LYS A 33 -1.768 10.604 -7.370 1.00 27.64 C ATOM 527 NZ LYS A 33 -2.675 10.549 -6.201 1.00 30.06 N ATOM 0 H LYS A 33 1.756 6.119 -9.395 1.00 14.22 H new ATOM 0 HA LYS A 33 1.835 8.708 -10.285 1.00 14.00 H new ATOM 0 HB2 LYS A 33 0.487 7.368 -8.296 1.00 18.62 H new ATOM 0 HB3 LYS A 33 1.716 8.122 -7.300 1.00 18.62 H new ATOM 0 HG2 LYS A 33 1.033 10.356 -8.149 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -0.196 9.602 -9.145 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.079 8.628 -6.849 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -0.131 9.922 -6.143 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.373 11.609 -7.516 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -2.289 10.330 -8.287 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -3.619 10.888 -6.477 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -2.745 9.568 -5.862 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.299 11.152 -5.441 1.00 30.06 H new ATOM 541 N GLU A 34 4.340 8.124 -8.369 1.00 10.11 N ATOM 542 CA GLU A 34 5.556 8.598 -7.783 1.00 10.07 C ATOM 543 C GLU A 34 6.687 8.289 -8.703 1.00 9.32 C ATOM 544 O GLU A 34 7.599 9.085 -8.922 1.00 11.61 O ATOM 545 CB GLU A 34 5.952 7.947 -6.447 1.00 14.77 C ATOM 546 CG GLU A 34 4.943 8.472 -5.424 1.00 18.75 C ATOM 547 CD GLU A 34 5.210 9.924 -5.055 1.00 22.28 C ATOM 548 OE1 GLU A 34 6.412 10.281 -4.935 1.00 21.95 O ATOM 549 OE2 GLU A 34 4.276 10.736 -4.821 1.00 25.19 O ATOM 0 H GLU A 34 4.223 7.119 -8.236 1.00 10.11 H new ATOM 0 HA GLU A 34 5.373 9.658 -7.609 1.00 10.07 H new ATOM 0 HB2 GLU A 34 5.914 6.860 -6.513 1.00 14.77 H new ATOM 0 HB3 GLU A 34 6.971 8.214 -6.167 1.00 14.77 H new ATOM 0 HG2 GLU A 34 3.935 8.380 -5.829 1.00 18.75 H new ATOM 0 HG3 GLU A 34 4.983 7.856 -4.526 1.00 18.75 H new ATOM 556 N GLY A 35 6.475 7.179 -9.432 1.00 7.22 N ATOM 557 CA GLY A 35 7.458 6.636 -10.317 1.00 6.29 C ATOM 558 C GLY A 35 8.416 5.783 -9.560 1.00 6.93 C ATOM 559 O GLY A 35 9.605 5.765 -9.874 1.00 7.41 O ATOM 0 H GLY A 35 5.604 6.648 -9.406 1.00 7.22 H new ATOM 0 HA2 GLY A 35 6.972 6.047 -11.095 1.00 6.29 H new ATOM 0 HA3 GLY A 35 7.994 7.443 -10.816 1.00 6.29 H new ATOM 563 N ILE A 36 8.006 5.003 -8.544 1.00 5.86 N ATOM 564 CA ILE A 36 8.817 4.080 -7.812 1.00 6.07 C ATOM 565 C ILE A 36 8.575 2.672 -8.233 1.00 6.36 C ATOM 566 O ILE A 36 7.420 2.260 -8.330 1.00 6.18 O ATOM 567 CB ILE A 36 8.574 4.182 -6.335 1.00 7.47 C ATOM 568 CG1 ILE A 36 8.833 5.557 -5.698 1.00 8.52 C ATOM 569 CG2 ILE A 36 9.521 3.193 -5.636 1.00 7.36 C ATOM 570 CD1 ILE A 36 8.136 5.733 -4.350 1.00 9.49 C ATOM 0 H ILE A 36 7.042 5.019 -8.212 1.00 5.86 H new ATOM 0 HA ILE A 36 9.850 4.349 -8.032 1.00 6.07 H new ATOM 0 HB ILE A 36 7.511 3.976 -6.205 1.00 7.47 H new ATOM 0 HG12 ILE A 36 9.906 5.693 -5.566 1.00 8.52 H new ATOM 0 HG13 ILE A 36 8.494 6.337 -6.380 1.00 8.52 H new ATOM 0 HG21 ILE A 36 9.368 3.243 -4.558 1.00 7.36 H new ATOM 0 HG22 ILE A 36 9.313 2.182 -5.985 1.00 7.36 H new ATOM 0 HG23 ILE A 36 10.554 3.452 -5.869 1.00 7.36 H new ATOM 0 HD11 ILE A 36 8.358 6.723 -3.952 1.00 9.49 H new ATOM 0 HD12 ILE A 36 7.059 5.627 -4.481 1.00 9.49 H new ATOM 0 HD13 ILE A 36 8.493 4.974 -3.654 1.00 9.49 H new ATOM 582 N PRO A 37 9.522 1.849 -8.574 1.00 8.65 N ATOM 583 CA PRO A 37 9.317 0.503 -9.024 1.00 9.18 C ATOM 584 C PRO A 37 8.799 -0.299 -7.880 1.00 9.85 C ATOM 585 O PRO A 37 9.089 0.043 -6.735 1.00 8.51 O ATOM 586 CB PRO A 37 10.690 -0.048 -9.406 1.00 11.42 C ATOM 587 CG PRO A 37 11.588 1.171 -9.671 1.00 9.27 C ATOM 588 CD PRO A 37 10.917 2.214 -8.764 1.00 8.33 C ATOM 0 HA PRO A 37 8.619 0.463 -9.860 1.00 9.18 H new ATOM 0 HB2 PRO A 37 11.098 -0.664 -8.605 1.00 11.42 H new ATOM 0 HB3 PRO A 37 10.622 -0.680 -10.291 1.00 11.42 H new ATOM 0 HG2 PRO A 37 12.627 0.989 -9.395 1.00 9.27 H new ATOM 0 HG3 PRO A 37 11.584 1.469 -10.719 1.00 9.27 H new ATOM 0 HD2 PRO A 37 11.428 2.261 -7.802 1.00 8.33 H new ATOM 0 HD3 PRO A 37 10.989 3.205 -9.212 1.00 8.33 H new ATOM 596 N PRO A 38 7.953 -1.282 -7.968 1.00 8.71 N ATOM 597 CA PRO A 38 7.217 -1.895 -6.900 1.00 9.08 C ATOM 598 C PRO A 38 7.986 -2.904 -6.118 1.00 9.28 C ATOM 599 O PRO A 38 7.520 -3.528 -5.167 1.00 6.50 O ATOM 600 CB PRO A 38 6.116 -2.627 -7.664 1.00 10.31 C ATOM 601 CG PRO A 38 6.793 -3.089 -8.965 1.00 10.81 C ATOM 602 CD PRO A 38 7.765 -1.934 -9.255 1.00 12.00 C ATOM 0 HA PRO A 38 6.903 -1.152 -6.167 1.00 9.08 H new ATOM 0 HB2 PRO A 38 5.732 -3.473 -7.094 1.00 10.31 H new ATOM 0 HB3 PRO A 38 5.270 -1.970 -7.868 1.00 10.31 H new ATOM 0 HG2 PRO A 38 7.315 -4.038 -8.838 1.00 10.81 H new ATOM 0 HG3 PRO A 38 6.073 -3.227 -9.772 1.00 10.81 H new ATOM 0 HD2 PRO A 38 8.710 -2.302 -9.655 1.00 12.00 H new ATOM 0 HD3 PRO A 38 7.353 -1.245 -9.992 1.00 12.00 H new ATOM 610 N ASP A 39 9.272 -3.085 -6.467 1.00 11.20 N ATOM 611 CA ASP A 39 10.174 -4.015 -5.863 1.00 14.96 C ATOM 612 C ASP A 39 10.916 -3.298 -4.788 1.00 13.99 C ATOM 613 O ASP A 39 11.114 -3.792 -3.679 1.00 13.75 O ATOM 614 CB ASP A 39 11.102 -4.767 -6.832 1.00 24.16 C ATOM 615 CG ASP A 39 11.741 -3.733 -7.747 1.00 31.06 C ATOM 616 OD1 ASP A 39 11.076 -3.341 -8.743 1.00 34.22 O ATOM 617 OD2 ASP A 39 12.907 -3.363 -7.447 1.00 35.55 O ATOM 0 H ASP A 39 9.708 -2.549 -7.217 1.00 11.20 H new ATOM 0 HA ASP A 39 9.580 -4.827 -5.445 1.00 14.96 H new ATOM 0 HB2 ASP A 39 11.866 -5.317 -6.282 1.00 24.16 H new ATOM 0 HB3 ASP A 39 10.539 -5.498 -7.413 1.00 24.16 H new ATOM 622 N GLN A 40 11.443 -2.098 -5.090 1.00 11.60 N ATOM 623 CA GLN A 40 11.858 -1.149 -4.103 1.00 10.76 C ATOM 624 C GLN A 40 10.851 -0.812 -3.058 1.00 8.01 C ATOM 625 O GLN A 40 11.214 -0.578 -1.906 1.00 8.96 O ATOM 626 CB GLN A 40 12.209 0.165 -4.821 1.00 11.14 C ATOM 627 CG GLN A 40 13.377 0.067 -5.804 1.00 14.85 C ATOM 628 CD GLN A 40 14.615 -0.239 -4.972 1.00 16.11 C ATOM 629 OE1 GLN A 40 14.933 -1.427 -4.979 1.00 20.52 O ATOM 630 NE2 GLN A 40 15.243 0.768 -4.308 1.00 18.16 N ATOM 0 H GLN A 40 11.585 -1.778 -6.048 1.00 11.60 H new ATOM 0 HA GLN A 40 12.694 -1.622 -3.587 1.00 10.76 H new ATOM 0 HB2 GLN A 40 11.328 0.515 -5.359 1.00 11.14 H new ATOM 0 HB3 GLN A 40 12.446 0.920 -4.071 1.00 11.14 H new ATOM 0 HG2 GLN A 40 13.200 -0.717 -6.540 1.00 14.85 H new ATOM 0 HG3 GLN A 40 13.500 0.999 -6.355 1.00 14.85 H new ATOM 0 HE21 GLN A 40 14.888 1.722 -4.375 1.00 18.16 H new ATOM 0 HE22 GLN A 40 16.069 0.569 -3.743 1.00 18.16 H new ATOM 639 N GLN A 41 9.541 -0.873 -3.355 1.00 6.52 N ATOM 640 CA GLN A 41 8.417 -0.684 -2.491 1.00 3.87 C ATOM 641 C GLN A 41 8.144 -1.763 -1.501 1.00 4.79 C ATOM 642 O GLN A 41 8.030 -2.919 -1.908 1.00 6.34 O ATOM 643 CB GLN A 41 7.139 -0.283 -3.248 1.00 4.20 C ATOM 644 CG GLN A 41 7.120 0.867 -4.256 1.00 3.20 C ATOM 645 CD GLN A 41 5.712 1.075 -4.796 1.00 4.89 C ATOM 646 OE1 GLN A 41 4.731 1.188 -4.062 1.00 5.21 O ATOM 647 NE2 GLN A 41 5.606 1.059 -6.151 1.00 7.13 N ATOM 0 H GLN A 41 9.239 -1.078 -4.308 1.00 6.52 H new ATOM 0 HA GLN A 41 8.740 0.159 -1.880 1.00 3.87 H new ATOM 0 HB2 GLN A 41 6.796 -1.171 -3.779 1.00 4.20 H new ATOM 0 HB3 GLN A 41 6.387 -0.052 -2.494 1.00 4.20 H new ATOM 0 HG2 GLN A 41 7.473 1.782 -3.780 1.00 3.20 H new ATOM 0 HG3 GLN A 41 7.803 0.651 -5.077 1.00 3.20 H new ATOM 0 HE21 GLN A 41 6.442 0.964 -6.727 1.00 7.13 H new ATOM 0 HE22 GLN A 41 4.690 1.142 -6.592 1.00 7.13 H new ATOM 656 N ARG A 42 7.833 -1.443 -0.232 1.00 5.73 N ATOM 657 CA ARG A 42 7.197 -2.340 0.682 1.00 6.97 C ATOM 658 C ARG A 42 5.892 -1.725 1.053 1.00 7.15 C ATOM 659 O ARG A 42 5.896 -0.802 1.866 1.00 7.33 O ATOM 660 CB ARG A 42 8.123 -2.609 1.880 1.00 13.23 C ATOM 661 CG ARG A 42 7.520 -3.438 3.016 1.00 21.27 C ATOM 662 CD ARG A 42 8.540 -3.666 4.133 1.00 26.14 C ATOM 663 NE ARG A 42 9.235 -4.981 4.040 1.00 32.26 N ATOM 664 CZ ARG A 42 9.937 -5.706 4.959 1.00 34.32 C ATOM 665 NH1 ARG A 42 10.030 -5.436 6.293 1.00 35.30 N ATOM 666 NH2 ARG A 42 10.485 -6.874 4.512 1.00 36.39 N ATOM 0 H ARG A 42 8.031 -0.528 0.172 1.00 5.73 H new ATOM 0 HA ARG A 42 7.004 -3.318 0.242 1.00 6.97 H new ATOM 0 HB2 ARG A 42 9.015 -3.119 1.518 1.00 13.23 H new ATOM 0 HB3 ARG A 42 8.447 -1.651 2.287 1.00 13.23 H new ATOM 0 HG2 ARG A 42 6.644 -2.928 3.417 1.00 21.27 H new ATOM 0 HG3 ARG A 42 7.180 -4.398 2.629 1.00 21.27 H new ATOM 0 HD2 ARG A 42 9.282 -2.868 4.106 1.00 26.14 H new ATOM 0 HD3 ARG A 42 8.034 -3.598 5.096 1.00 26.14 H new ATOM 0 HE ARG A 42 9.175 -5.420 3.121 1.00 32.26 H new ATOM 0 HH11 ARG A 42 9.547 -4.628 6.685 1.00 35.30 H new ATOM 0 HH12 ARG A 42 10.583 -6.043 6.899 1.00 35.30 H new ATOM 0 HH21 ARG A 42 10.358 -7.158 3.541 1.00 36.39 H new ATOM 0 HH22 ARG A 42 11.022 -7.462 5.149 1.00 36.39 H new ATOM 680 N LEU A 43 4.699 -2.153 0.604 1.00 4.65 N ATOM 681 CA LEU A 43 3.473 -1.516 0.971 1.00 3.51 C ATOM 682 C LEU A 43 2.857 -2.382 2.016 1.00 5.56 C ATOM 683 O LEU A 43 2.609 -3.557 1.748 1.00 4.19 O ATOM 684 CB LEU A 43 2.517 -1.297 -0.214 1.00 3.74 C ATOM 685 CG LEU A 43 1.202 -0.532 0.009 1.00 6.32 C ATOM 686 CD1 LEU A 43 1.442 0.717 0.874 1.00 6.41 C ATOM 687 CD2 LEU A 43 0.540 -0.379 -1.371 1.00 9.55 C ATOM 0 H LEU A 43 4.584 -2.951 -0.021 1.00 4.65 H new ATOM 0 HA LEU A 43 3.674 -0.511 1.342 1.00 3.51 H new ATOM 0 HB2 LEU A 43 3.073 -0.772 -0.990 1.00 3.74 H new ATOM 0 HB3 LEU A 43 2.261 -2.278 -0.614 1.00 3.74 H new ATOM 0 HG LEU A 43 0.465 -1.057 0.617 1.00 6.32 H new ATOM 0 HD11 LEU A 43 0.500 1.245 1.020 1.00 6.41 H new ATOM 0 HD12 LEU A 43 1.844 0.418 1.842 1.00 6.41 H new ATOM 0 HD13 LEU A 43 2.152 1.375 0.374 1.00 6.41 H new ATOM 0 HD21 LEU A 43 -0.401 0.160 -1.265 1.00 9.55 H new ATOM 0 HD22 LEU A 43 1.204 0.176 -2.033 1.00 9.55 H new ATOM 0 HD23 LEU A 43 0.348 -1.365 -1.794 1.00 9.55 H new ATOM 699 N ILE A 44 2.601 -1.877 3.236 1.00 4.58 N ATOM 700 CA ILE A 44 2.127 -2.626 4.358 1.00 5.55 C ATOM 701 C ILE A 44 0.913 -1.929 4.870 1.00 5.46 C ATOM 702 O ILE A 44 0.626 -0.787 4.518 1.00 6.04 O ATOM 703 CB ILE A 44 3.134 -2.877 5.440 1.00 6.80 C ATOM 704 CG1 ILE A 44 3.803 -1.529 5.759 1.00 10.31 C ATOM 705 CG2 ILE A 44 4.105 -3.862 4.767 1.00 7.39 C ATOM 706 CD1 ILE A 44 4.760 -1.668 6.942 1.00 13.90 C ATOM 0 H ILE A 44 2.733 -0.889 3.451 1.00 4.58 H new ATOM 0 HA ILE A 44 1.896 -3.634 4.015 1.00 5.55 H new ATOM 0 HB ILE A 44 2.745 -3.274 6.378 1.00 6.80 H new ATOM 0 HG12 ILE A 44 4.347 -1.171 4.885 1.00 10.31 H new ATOM 0 HG13 ILE A 44 3.041 -0.784 5.987 1.00 10.31 H new ATOM 0 HG21 ILE A 44 4.898 -4.126 5.466 1.00 7.39 H new ATOM 0 HG22 ILE A 44 3.565 -4.762 4.474 1.00 7.39 H new ATOM 0 HG23 ILE A 44 4.541 -3.397 3.883 1.00 7.39 H new ATOM 0 HD11 ILE A 44 5.223 -0.703 7.151 1.00 13.90 H new ATOM 0 HD12 ILE A 44 4.207 -2.003 7.820 1.00 13.90 H new ATOM 0 HD13 ILE A 44 5.534 -2.397 6.700 1.00 13.90 H new ATOM 718 N PHE A 45 0.203 -2.577 5.811 1.00 6.75 N ATOM 719 CA PHE A 45 -0.857 -2.024 6.595 1.00 4.70 C ATOM 720 C PHE A 45 -0.414 -1.548 7.936 1.00 6.34 C ATOM 721 O PHE A 45 -0.776 -0.436 8.318 1.00 5.45 O ATOM 722 CB PHE A 45 -2.003 -3.048 6.644 1.00 5.51 C ATOM 723 CG PHE A 45 -3.367 -2.589 7.029 1.00 5.98 C ATOM 724 CD1 PHE A 45 -3.906 -1.359 6.732 1.00 5.87 C ATOM 725 CD2 PHE A 45 -4.191 -3.506 7.638 1.00 6.86 C ATOM 726 CE1 PHE A 45 -5.173 -1.018 7.142 1.00 6.64 C ATOM 727 CE2 PHE A 45 -5.493 -3.247 7.997 1.00 6.68 C ATOM 728 CZ PHE A 45 -5.940 -1.964 7.780 1.00 6.84 C ATOM 0 H PHE A 45 0.383 -3.555 6.039 1.00 6.75 H new ATOM 0 HA PHE A 45 -1.221 -1.114 6.119 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -2.077 -3.507 5.658 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -1.712 -3.834 7.340 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -3.323 -0.648 6.166 1.00 5.87 H new ATOM 0 HD2 PHE A 45 -3.792 -4.488 7.847 1.00 6.86 H new ATOM 0 HE1 PHE A 45 -5.559 -0.025 6.966 1.00 6.64 H new ATOM 0 HE2 PHE A 45 -6.129 -4.008 8.425 1.00 6.68 H new ATOM 0 HZ PHE A 45 -6.927 -1.691 8.123 1.00 6.84 H new ATOM 738 N ALA A 46 0.221 -2.391 8.769 1.00 6.53 N ATOM 739 CA ALA A 46 0.688 -2.056 10.078 1.00 7.15 C ATOM 740 C ALA A 46 2.054 -2.571 10.378 1.00 9.00 C ATOM 741 O ALA A 46 3.048 -1.847 10.357 1.00 11.15 O ATOM 742 CB ALA A 46 -0.397 -2.501 11.073 1.00 8.99 C ATOM 0 H ALA A 46 0.419 -3.359 8.515 1.00 6.53 H new ATOM 0 HA ALA A 46 0.831 -0.979 10.161 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -0.079 -2.263 12.088 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -1.329 -1.980 10.853 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -0.553 -3.576 10.984 1.00 8.99 H new ATOM 748 N GLY A 47 2.155 -3.860 10.748 1.00 9.35 N ATOM 749 CA GLY A 47 3.416 -4.442 11.089 1.00 11.68 C ATOM 750 C GLY A 47 3.760 -5.700 10.368 1.00 11.14 C ATOM 751 O GLY A 47 4.854 -6.235 10.535 1.00 13.93 O ATOM 0 H GLY A 47 1.363 -4.500 10.811 1.00 9.35 H new ATOM 0 HA2 GLY A 47 4.199 -3.708 10.896 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.425 -4.644 12.160 1.00 11.68 H new ATOM 755 N LYS A 48 2.773 -6.306 9.683 1.00 10.47 N ATOM 756 CA LYS A 48 3.088 -7.545 9.041 1.00 8.82 C ATOM 757 C LYS A 48 3.423 -7.402 7.597 1.00 7.68 C ATOM 758 O LYS A 48 2.623 -6.728 6.950 1.00 6.47 O ATOM 759 CB LYS A 48 1.891 -8.507 9.115 1.00 9.74 C ATOM 760 CG LYS A 48 1.613 -9.062 10.513 1.00 14.14 C ATOM 761 CD LYS A 48 0.358 -9.913 10.715 1.00 16.32 C ATOM 762 CE LYS A 48 -1.006 -9.241 10.541 1.00 20.04 C ATOM 763 NZ LYS A 48 -2.108 -10.223 10.645 1.00 23.92 N ATOM 0 H LYS A 48 1.817 -5.967 9.576 1.00 10.47 H new ATOM 0 HA LYS A 48 3.960 -7.924 9.574 1.00 8.82 H new ATOM 0 HB2 LYS A 48 1.001 -7.988 8.760 1.00 9.74 H new ATOM 0 HB3 LYS A 48 2.067 -9.340 8.435 1.00 9.74 H new ATOM 0 HG2 LYS A 48 2.473 -9.661 10.811 1.00 14.14 H new ATOM 0 HG3 LYS A 48 1.558 -8.219 11.201 1.00 14.14 H new ATOM 0 HD2 LYS A 48 0.408 -10.751 10.019 1.00 16.32 H new ATOM 0 HD3 LYS A 48 0.397 -10.331 11.721 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -1.132 -8.468 11.299 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -1.048 -8.746 9.571 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -3.019 -9.737 10.523 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 -2.000 -10.946 9.905 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 -2.081 -10.677 11.580 1.00 23.92 H new ATOM 777 N GLN A 49 4.584 -7.872 7.106 1.00 8.89 N ATOM 778 CA GLN A 49 4.833 -7.877 5.698 1.00 7.18 C ATOM 779 C GLN A 49 3.733 -8.536 4.940 1.00 8.23 C ATOM 780 O GLN A 49 3.561 -9.747 5.077 1.00 9.70 O ATOM 781 CB GLN A 49 6.068 -8.710 5.316 1.00 11.67 C ATOM 782 CG GLN A 49 6.519 -8.699 3.854 1.00 15.82 C ATOM 783 CD GLN A 49 7.800 -9.499 3.664 1.00 20.21 C ATOM 784 OE1 GLN A 49 8.601 -9.694 4.576 1.00 23.23 O ATOM 785 NE2 GLN A 49 7.989 -10.088 2.452 1.00 20.67 N ATOM 0 H GLN A 49 5.343 -8.245 7.677 1.00 8.89 H new ATOM 0 HA GLN A 49 4.951 -6.821 5.453 1.00 7.18 H new ATOM 0 HB2 GLN A 49 6.904 -8.366 5.926 1.00 11.67 H new ATOM 0 HB3 GLN A 49 5.873 -9.745 5.597 1.00 11.67 H new ATOM 0 HG2 GLN A 49 5.732 -9.115 3.225 1.00 15.82 H new ATOM 0 HG3 GLN A 49 6.678 -7.671 3.528 1.00 15.82 H new ATOM 0 HE21 GLN A 49 7.323 -9.925 1.696 1.00 20.67 H new ATOM 0 HE22 GLN A 49 8.796 -10.692 2.299 1.00 20.67 H new ATOM 794 N LEU A 50 3.054 -7.819 4.027 1.00 6.51 N ATOM 795 CA LEU A 50 1.929 -8.230 3.246 1.00 7.41 C ATOM 796 C LEU A 50 2.279 -9.022 2.033 1.00 8.27 C ATOM 797 O LEU A 50 3.285 -8.872 1.340 1.00 8.34 O ATOM 798 CB LEU A 50 1.000 -7.084 2.811 1.00 7.13 C ATOM 799 CG LEU A 50 0.235 -6.390 3.950 1.00 7.53 C ATOM 800 CD1 LEU A 50 -0.786 -5.421 3.328 1.00 9.11 C ATOM 801 CD2 LEU A 50 -0.422 -7.388 4.918 1.00 8.14 C ATOM 0 H LEU A 50 3.321 -6.857 3.817 1.00 6.51 H new ATOM 0 HA LEU A 50 1.396 -8.870 3.949 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.594 -6.336 2.286 1.00 7.13 H new ATOM 0 HB3 LEU A 50 0.277 -7.476 2.096 1.00 7.13 H new ATOM 0 HG LEU A 50 0.941 -5.830 4.563 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -1.340 -4.918 4.121 1.00 9.11 H new ATOM 0 HD12 LEU A 50 -0.263 -4.680 2.724 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -1.479 -5.978 2.698 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -0.948 -6.842 5.702 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -1.130 -8.012 4.372 1.00 8.14 H new ATOM 0 HD23 LEU A 50 0.346 -8.018 5.367 1.00 8.14 H new ATOM 813 N GLU A 51 1.387 -10.000 1.799 1.00 9.43 N ATOM 814 CA GLU A 51 1.340 -10.919 0.704 1.00 11.90 C ATOM 815 C GLU A 51 0.719 -10.205 -0.447 1.00 11.49 C ATOM 816 O GLU A 51 -0.379 -9.665 -0.320 1.00 9.88 O ATOM 817 CB GLU A 51 0.629 -12.267 0.909 1.00 16.56 C ATOM 818 CG GLU A 51 1.275 -13.050 2.054 1.00 26.06 C ATOM 819 CD GLU A 51 0.560 -14.382 2.233 1.00 29.86 C ATOM 820 OE1 GLU A 51 -0.602 -14.334 2.718 1.00 32.13 O ATOM 821 OE2 GLU A 51 1.159 -15.463 1.987 1.00 33.44 O ATOM 0 H GLU A 51 0.617 -10.162 2.448 1.00 9.43 H new ATOM 0 HA GLU A 51 2.376 -11.219 0.549 1.00 11.90 H new ATOM 0 HB2 GLU A 51 -0.426 -12.098 1.127 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.675 -12.852 -0.010 1.00 16.56 H new ATOM 0 HG2 GLU A 51 2.331 -13.219 1.842 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.224 -12.472 2.977 1.00 26.06 H new ATOM 828 N ASP A 52 1.388 -10.147 -1.613 1.00 12.71 N ATOM 829 CA ASP A 52 0.936 -9.446 -2.774 1.00 16.56 C ATOM 830 C ASP A 52 -0.483 -9.587 -3.205 1.00 15.83 C ATOM 831 O ASP A 52 -1.204 -8.599 -3.338 1.00 17.21 O ATOM 832 CB ASP A 52 1.859 -9.534 -4.002 1.00 21.05 C ATOM 833 CG ASP A 52 3.308 -9.114 -3.805 1.00 25.12 C ATOM 834 OD1 ASP A 52 3.513 -7.908 -3.503 1.00 28.37 O ATOM 835 OD2 ASP A 52 4.272 -9.914 -3.945 1.00 25.82 O ATOM 0 H ASP A 52 2.286 -10.611 -1.752 1.00 12.71 H new ATOM 0 HA ASP A 52 0.993 -8.446 -2.345 1.00 16.56 H new ATOM 0 HB2 ASP A 52 1.850 -10.563 -4.360 1.00 21.05 H new ATOM 0 HB3 ASP A 52 1.431 -8.917 -4.793 1.00 21.05 H new ATOM 840 N GLY A 53 -0.887 -10.850 -3.427 1.00 15.00 N ATOM 841 CA GLY A 53 -1.999 -11.157 -4.272 1.00 11.77 C ATOM 842 C GLY A 53 -3.346 -11.146 -3.634 1.00 11.10 C ATOM 843 O GLY A 53 -4.294 -11.516 -4.324 1.00 11.25 O ATOM 0 H GLY A 53 -0.437 -11.668 -3.016 1.00 15.00 H new ATOM 0 HA2 GLY A 53 -2.007 -10.444 -5.097 1.00 11.77 H new ATOM 0 HA3 GLY A 53 -1.835 -12.144 -4.705 1.00 11.77 H new ATOM 847 N ARG A 54 -3.456 -10.641 -2.392 1.00 8.53 N ATOM 848 CA ARG A 54 -4.710 -10.673 -1.705 1.00 9.05 C ATOM 849 C ARG A 54 -5.366 -9.341 -1.837 1.00 8.96 C ATOM 850 O ARG A 54 -4.692 -8.313 -1.867 1.00 11.60 O ATOM 851 CB ARG A 54 -4.417 -10.951 -0.221 1.00 7.97 C ATOM 852 CG ARG A 54 -3.805 -12.306 0.138 1.00 9.62 C ATOM 853 CD ARG A 54 -3.464 -12.496 1.618 1.00 12.20 C ATOM 854 NE ARG A 54 -4.774 -12.349 2.313 1.00 18.23 N ATOM 855 CZ ARG A 54 -4.927 -12.125 3.651 1.00 22.08 C ATOM 856 NH1 ARG A 54 -3.878 -11.979 4.512 1.00 23.38 N ATOM 857 NH2 ARG A 54 -6.212 -11.901 4.052 1.00 25.50 N ATOM 0 H ARG A 54 -2.689 -10.217 -1.870 1.00 8.53 H new ATOM 0 HA ARG A 54 -5.365 -11.440 -2.118 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -3.745 -10.173 0.140 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -5.351 -10.847 0.331 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -4.499 -13.091 -0.162 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -2.896 -12.443 -0.448 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -3.022 -13.475 1.803 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -2.745 -11.752 1.960 1.00 12.20 H new ATOM 0 HE ARG A 54 -5.619 -12.421 1.747 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -2.921 -12.036 4.164 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -4.051 -11.813 5.503 1.00 23.38 H new ATOM 0 HH21 ARG A 54 -6.969 -11.910 3.368 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -6.416 -11.725 5.036 1.00 25.50 H new ATOM 871 N THR A 55 -6.709 -9.274 -1.797 1.00 9.05 N ATOM 872 CA THR A 55 -7.456 -8.061 -1.915 1.00 9.03 C ATOM 873 C THR A 55 -7.573 -7.225 -0.687 1.00 8.15 C ATOM 874 O THR A 55 -7.377 -7.648 0.452 1.00 5.91 O ATOM 875 CB THR A 55 -8.838 -8.223 -2.476 1.00 11.15 C ATOM 876 OG1 THR A 55 -9.768 -8.895 -1.640 1.00 11.95 O ATOM 877 CG2 THR A 55 -8.675 -8.992 -3.798 1.00 11.71 C ATOM 0 H THR A 55 -7.298 -10.098 -1.678 1.00 9.05 H new ATOM 0 HA THR A 55 -6.820 -7.533 -2.626 1.00 9.03 H new ATOM 0 HB THR A 55 -9.266 -7.228 -2.595 1.00 11.15 H new ATOM 0 HG1 THR A 55 -10.636 -8.948 -2.092 1.00 11.95 H new ATOM 0 HG21 THR A 55 -9.653 -9.141 -4.255 1.00 11.71 H new ATOM 0 HG22 THR A 55 -8.041 -8.420 -4.476 1.00 11.71 H new ATOM 0 HG23 THR A 55 -8.215 -9.961 -3.601 1.00 11.71 H new ATOM 885 N LEU A 56 -7.926 -5.945 -0.899 1.00 6.91 N ATOM 886 CA LEU A 56 -7.912 -4.981 0.158 1.00 8.29 C ATOM 887 C LEU A 56 -9.131 -5.298 0.954 1.00 8.05 C ATOM 888 O LEU A 56 -9.115 -5.065 2.162 1.00 10.17 O ATOM 889 CB LEU A 56 -8.126 -3.532 -0.311 1.00 6.60 C ATOM 890 CG LEU A 56 -6.928 -2.981 -1.103 1.00 7.73 C ATOM 891 CD1 LEU A 56 -7.439 -1.989 -2.162 1.00 8.64 C ATOM 892 CD2 LEU A 56 -5.868 -2.375 -0.168 1.00 9.85 C ATOM 0 H LEU A 56 -8.222 -5.577 -1.803 1.00 6.91 H new ATOM 0 HA LEU A 56 -6.949 -5.036 0.665 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -9.020 -3.484 -0.933 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -8.306 -2.897 0.556 1.00 6.60 H new ATOM 0 HG LEU A 56 -6.423 -3.795 -1.623 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -6.595 -1.594 -2.728 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -8.123 -2.500 -2.840 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -7.962 -1.169 -1.670 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -5.035 -1.995 -0.760 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -6.310 -1.558 0.402 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -5.506 -3.142 0.517 1.00 9.85 H new ATOM 904 N SER A 57 -10.154 -5.832 0.263 1.00 8.92 N ATOM 905 CA SER A 57 -11.356 -6.306 0.876 1.00 9.00 C ATOM 906 C SER A 57 -11.117 -7.417 1.840 1.00 9.44 C ATOM 907 O SER A 57 -11.610 -7.417 2.967 1.00 10.91 O ATOM 908 CB SER A 57 -12.359 -6.819 -0.170 1.00 10.32 C ATOM 909 OG SER A 57 -13.612 -7.032 0.463 1.00 13.59 O ATOM 0 H SER A 57 -10.145 -5.937 -0.752 1.00 8.92 H new ATOM 0 HA SER A 57 -11.758 -5.444 1.409 1.00 9.00 H new ATOM 0 HB2 SER A 57 -12.463 -6.096 -0.979 1.00 10.32 H new ATOM 0 HB3 SER A 57 -11.999 -7.746 -0.615 1.00 10.32 H new ATOM 0 HG SER A 57 -14.260 -7.358 -0.196 1.00 13.59 H new ATOM 915 N ASP A 58 -10.320 -8.432 1.461 1.00 9.11 N ATOM 916 CA ASP A 58 -9.924 -9.583 2.211 1.00 7.91 C ATOM 917 C ASP A 58 -9.225 -9.190 3.467 1.00 9.12 C ATOM 918 O ASP A 58 -9.554 -9.641 4.563 1.00 8.61 O ATOM 919 CB ASP A 58 -9.112 -10.574 1.359 1.00 8.41 C ATOM 920 CG ASP A 58 -8.537 -11.899 1.838 1.00 11.50 C ATOM 921 OD1 ASP A 58 -9.222 -12.645 2.588 1.00 10.05 O ATOM 922 OD2 ASP A 58 -7.443 -12.188 1.284 1.00 11.70 O ATOM 0 H ASP A 58 -9.910 -8.444 0.527 1.00 9.11 H new ATOM 0 HA ASP A 58 -10.828 -10.116 2.507 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -9.746 -10.818 0.507 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -8.265 -10.007 0.974 1.00 8.41 H new ATOM 927 N TYR A 59 -8.241 -8.273 3.443 1.00 7.97 N ATOM 928 CA TYR A 59 -7.443 -7.715 4.490 1.00 8.45 C ATOM 929 C TYR A 59 -8.217 -6.964 5.518 1.00 10.98 C ATOM 930 O TYR A 59 -7.890 -7.062 6.700 1.00 12.95 O ATOM 931 CB TYR A 59 -6.338 -6.879 3.823 1.00 7.94 C ATOM 932 CG TYR A 59 -5.111 -7.601 3.382 1.00 6.91 C ATOM 933 CD1 TYR A 59 -4.364 -8.440 4.174 1.00 6.98 C ATOM 934 CD2 TYR A 59 -4.662 -7.370 2.103 1.00 4.59 C ATOM 935 CE1 TYR A 59 -3.213 -9.060 3.748 1.00 6.52 C ATOM 936 CE2 TYR A 59 -3.542 -8.020 1.641 1.00 5.39 C ATOM 937 CZ TYR A 59 -2.808 -8.855 2.450 1.00 6.76 C ATOM 938 OH TYR A 59 -1.594 -9.442 2.036 1.00 7.63 O ATOM 0 H TYR A 59 -7.969 -7.865 2.548 1.00 7.97 H new ATOM 0 HA TYR A 59 -7.002 -8.522 5.075 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -6.768 -6.382 2.954 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -6.038 -6.097 4.521 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -4.699 -8.622 5.185 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -5.189 -6.679 1.462 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -2.643 -9.690 4.414 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -3.231 -7.871 0.617 1.00 5.39 H new ATOM 0 HH TYR A 59 -1.485 -9.321 1.070 1.00 7.63 H new ATOM 948 N ASN A 60 -9.290 -6.305 5.046 1.00 12.38 N ATOM 949 CA ASN A 60 -10.189 -5.510 5.824 1.00 13.94 C ATOM 950 C ASN A 60 -9.809 -4.070 5.864 1.00 14.16 C ATOM 951 O ASN A 60 -10.184 -3.398 6.824 1.00 14.26 O ATOM 952 CB ASN A 60 -10.740 -6.082 7.141 1.00 19.23 C ATOM 953 CG ASN A 60 -11.183 -7.529 6.980 1.00 22.65 C ATOM 954 OD1 ASN A 60 -10.620 -8.548 7.377 1.00 25.45 O ATOM 955 ND2 ASN A 60 -12.251 -7.689 6.154 1.00 24.09 N ATOM 0 H ASN A 60 -9.545 -6.329 4.059 1.00 12.38 H new ATOM 0 HA ASN A 60 -11.103 -5.577 5.234 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -9.975 -6.019 7.914 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -11.583 -5.478 7.477 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -12.554 -8.626 5.888 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -12.749 -6.872 5.800 1.00 24.09 H new ATOM 962 N ILE A 61 -9.154 -3.505 4.835 1.00 11.08 N ATOM 963 CA ILE A 61 -8.712 -2.149 4.722 1.00 11.78 C ATOM 964 C ILE A 61 -9.763 -1.283 4.118 1.00 13.74 C ATOM 965 O ILE A 61 -10.180 -1.417 2.968 1.00 14.60 O ATOM 966 CB ILE A 61 -7.471 -2.103 3.881 1.00 11.80 C ATOM 967 CG1 ILE A 61 -6.336 -3.061 4.280 1.00 11.56 C ATOM 968 CG2 ILE A 61 -7.016 -0.634 3.933 1.00 13.29 C ATOM 969 CD1 ILE A 61 -5.112 -2.819 3.397 1.00 11.42 C ATOM 0 H ILE A 61 -8.912 -4.049 4.007 1.00 11.08 H new ATOM 0 HA ILE A 61 -8.501 -1.770 5.722 1.00 11.78 H new ATOM 0 HB ILE A 61 -7.713 -2.456 2.879 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -6.074 -2.911 5.327 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -6.669 -4.094 4.179 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -6.109 -0.513 3.340 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -7.802 0.005 3.529 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -6.814 -0.352 4.966 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -4.313 -3.502 3.687 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -5.376 -2.992 2.354 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -4.772 -1.791 3.520 1.00 11.42 H new ATOM 981 N GLN A 62 -10.411 -0.384 4.880 1.00 13.97 N ATOM 982 CA GLN A 62 -11.575 0.355 4.501 1.00 15.52 C ATOM 983 C GLN A 62 -11.303 1.637 3.790 1.00 13.94 C ATOM 984 O GLN A 62 -10.137 2.002 3.645 1.00 12.15 O ATOM 985 CB GLN A 62 -12.369 0.687 5.775 1.00 19.53 C ATOM 986 CG GLN A 62 -12.785 -0.609 6.473 1.00 26.38 C ATOM 987 CD GLN A 62 -13.525 -1.647 5.641 1.00 30.61 C ATOM 988 OE1 GLN A 62 -12.963 -2.496 4.951 1.00 33.23 O ATOM 989 NE2 GLN A 62 -14.882 -1.559 5.664 1.00 32.71 N ATOM 0 H GLN A 62 -10.100 -0.159 5.825 1.00 13.97 H new ATOM 0 HA GLN A 62 -12.120 -0.279 3.801 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -11.762 1.295 6.446 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -13.251 1.275 5.523 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -11.887 -1.078 6.875 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -13.416 -0.347 7.322 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -15.337 -0.851 6.240 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -15.444 -2.201 5.105 1.00 32.71 H new ATOM 998 N LYS A 63 -12.334 2.397 3.379 1.00 11.73 N ATOM 999 CA LYS A 63 -12.232 3.746 2.915 1.00 11.97 C ATOM 1000 C LYS A 63 -11.742 4.722 3.928 1.00 10.41 C ATOM 1001 O LYS A 63 -12.167 4.863 5.073 1.00 9.59 O ATOM 1002 CB LYS A 63 -13.605 4.214 2.404 1.00 13.73 C ATOM 1003 CG LYS A 63 -13.589 5.690 2.003 1.00 16.98 C ATOM 1004 CD LYS A 63 -14.927 5.948 1.307 1.00 20.19 C ATOM 1005 CE LYS A 63 -16.059 6.265 2.287 1.00 23.42 C ATOM 1006 NZ LYS A 63 -17.205 6.726 1.473 1.00 25.97 N ATOM 0 H LYS A 63 -13.293 2.050 3.370 1.00 11.73 H new ATOM 0 HA LYS A 63 -11.484 3.727 2.123 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -13.900 3.608 1.547 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -14.355 4.056 3.179 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -13.473 6.331 2.877 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -12.754 5.905 1.336 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -14.814 6.779 0.610 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -15.199 5.072 0.718 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -16.327 5.383 2.869 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -15.753 7.034 2.997 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -18.004 6.955 2.097 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -16.931 7.574 0.936 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -17.486 5.974 0.812 1.00 25.97 H new ATOM 1020 N GLU A 64 -10.682 5.462 3.556 1.00 10.04 N ATOM 1021 CA GLU A 64 -9.961 6.461 4.282 1.00 10.94 C ATOM 1022 C GLU A 64 -9.081 5.824 5.301 1.00 9.74 C ATOM 1023 O GLU A 64 -9.064 6.200 6.472 1.00 9.42 O ATOM 1024 CB GLU A 64 -10.892 7.641 4.609 1.00 18.31 C ATOM 1025 CG GLU A 64 -11.256 8.402 3.334 1.00 24.16 C ATOM 1026 CD GLU A 64 -12.213 9.576 3.493 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -12.256 10.202 4.586 1.00 32.61 O ATOM 1028 OE2 GLU A 64 -13.123 9.856 2.668 1.00 31.72 O ATOM 0 H GLU A 64 -10.283 5.340 2.625 1.00 10.04 H new ATOM 0 HA GLU A 64 -9.198 6.989 3.710 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -11.798 7.275 5.093 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -10.404 8.313 5.314 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -10.335 8.771 2.882 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -11.696 7.696 2.629 1.00 24.16 H new ATOM 1035 N SER A 65 -8.403 4.731 4.908 1.00 6.85 N ATOM 1036 CA SER A 65 -7.601 3.881 5.732 1.00 6.90 C ATOM 1037 C SER A 65 -6.175 4.087 5.354 1.00 4.72 C ATOM 1038 O SER A 65 -5.826 4.355 4.205 1.00 3.91 O ATOM 1039 CB SER A 65 -8.039 2.406 5.760 1.00 7.28 C ATOM 1040 OG SER A 65 -7.597 1.793 6.962 1.00 10.56 O ATOM 0 H SER A 65 -8.418 4.418 3.937 1.00 6.85 H new ATOM 0 HA SER A 65 -7.744 4.170 6.773 1.00 6.90 H new ATOM 0 HB2 SER A 65 -9.124 2.338 5.685 1.00 7.28 H new ATOM 0 HB3 SER A 65 -7.627 1.879 4.900 1.00 7.28 H new ATOM 0 HG SER A 65 -7.880 0.855 6.974 1.00 10.56 H new ATOM 1046 N THR A 66 -5.309 4.074 6.383 1.00 4.48 N ATOM 1047 CA THR A 66 -3.911 4.293 6.176 1.00 3.80 C ATOM 1048 C THR A 66 -3.083 3.080 5.929 1.00 4.60 C ATOM 1049 O THR A 66 -3.118 2.165 6.750 1.00 5.33 O ATOM 1050 CB THR A 66 -3.289 5.003 7.342 1.00 2.85 C ATOM 1051 OG1 THR A 66 -4.007 6.122 7.841 1.00 2.15 O ATOM 1052 CG2 THR A 66 -1.910 5.602 7.022 1.00 3.40 C ATOM 0 H THR A 66 -5.575 3.913 7.354 1.00 4.48 H new ATOM 0 HA THR A 66 -3.903 4.889 5.264 1.00 3.80 H new ATOM 0 HB THR A 66 -3.262 4.193 8.071 1.00 2.85 H new ATOM 0 HG1 THR A 66 -3.521 6.512 8.598 1.00 2.15 H new ATOM 0 HG21 THR A 66 -1.516 6.101 7.907 1.00 3.40 H new ATOM 0 HG22 THR A 66 -1.229 4.806 6.720 1.00 3.40 H new ATOM 0 HG23 THR A 66 -2.006 6.324 6.211 1.00 3.40 H new ATOM 1060 N LEU A 67 -2.278 3.104 4.852 1.00 4.17 N ATOM 1061 CA LEU A 67 -1.265 2.124 4.607 1.00 3.85 C ATOM 1062 C LEU A 67 0.050 2.807 4.761 1.00 3.80 C ATOM 1063 O LEU A 67 0.118 4.034 4.807 1.00 5.54 O ATOM 1064 CB LEU A 67 -1.399 1.511 3.203 1.00 7.18 C ATOM 1065 CG LEU A 67 -2.646 0.661 2.907 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -3.781 1.630 2.537 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -2.492 -0.216 1.652 1.00 8.12 C ATOM 0 H LEU A 67 -2.333 3.824 4.132 1.00 4.17 H new ATOM 0 HA LEU A 67 -1.362 1.300 5.313 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -1.369 2.325 2.478 1.00 7.18 H new ATOM 0 HB3 LEU A 67 -0.521 0.891 3.023 1.00 7.18 H new ATOM 0 HG LEU A 67 -2.821 0.038 3.784 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -4.686 1.064 2.319 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -3.968 2.307 3.371 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -3.494 2.208 1.658 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -3.404 -0.792 1.496 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -2.311 0.419 0.785 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -1.651 -0.897 1.785 1.00 8.12 H new ATOM 1079 N HIS A 68 1.187 2.089 4.748 1.00 2.94 N ATOM 1080 CA HIS A 68 2.460 2.679 5.027 1.00 4.17 C ATOM 1081 C HIS A 68 3.380 2.139 3.986 1.00 5.32 C ATOM 1082 O HIS A 68 3.539 0.951 3.709 1.00 7.70 O ATOM 1083 CB HIS A 68 3.003 2.315 6.419 1.00 5.57 C ATOM 1084 CG HIS A 68 2.101 2.869 7.481 1.00 9.95 C ATOM 1085 ND1 HIS A 68 2.132 4.196 7.859 1.00 13.74 N ATOM 1086 CD2 HIS A 68 1.185 2.220 8.249 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.192 4.283 8.837 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.623 3.127 9.124 1.00 16.30 N ATOM 0 H HIS A 68 1.224 1.091 4.542 1.00 2.94 H new ATOM 0 HA HIS A 68 2.374 3.765 5.014 1.00 4.17 H new ATOM 0 HB2 HIS A 68 3.074 1.232 6.519 1.00 5.57 H new ATOM 0 HB3 HIS A 68 4.010 2.713 6.541 1.00 5.57 H new ATOM 0 HD2 HIS A 68 0.939 1.170 8.185 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.936 5.208 9.331 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -0.081 2.944 9.839 1.00 16.30 H new ATOM 1096 N LEU A 69 4.065 3.077 3.308 1.00 5.29 N ATOM 1097 CA LEU A 69 5.041 2.672 2.345 1.00 3.97 C ATOM 1098 C LEU A 69 6.381 2.703 2.996 1.00 5.07 C ATOM 1099 O LEU A 69 6.895 3.695 3.512 1.00 4.34 O ATOM 1100 CB LEU A 69 5.085 3.650 1.159 1.00 6.08 C ATOM 1101 CG LEU A 69 6.146 3.391 0.076 1.00 7.37 C ATOM 1102 CD1 LEU A 69 5.995 2.032 -0.628 1.00 9.96 C ATOM 1103 CD2 LEU A 69 6.007 4.452 -1.029 1.00 6.87 C ATOM 0 H LEU A 69 3.950 4.084 3.420 1.00 5.29 H new ATOM 0 HA LEU A 69 4.781 1.676 1.986 1.00 3.97 H new ATOM 0 HB2 LEU A 69 4.106 3.646 0.681 1.00 6.08 H new ATOM 0 HB3 LEU A 69 5.243 4.654 1.554 1.00 6.08 H new ATOM 0 HG LEU A 69 7.106 3.419 0.592 1.00 7.37 H new ATOM 0 HD11 LEU A 69 6.778 1.922 -1.378 1.00 9.96 H new ATOM 0 HD12 LEU A 69 6.080 1.231 0.106 1.00 9.96 H new ATOM 0 HD13 LEU A 69 5.020 1.979 -1.112 1.00 9.96 H new ATOM 0 HD21 LEU A 69 6.756 4.274 -1.800 1.00 6.87 H new ATOM 0 HD22 LEU A 69 5.012 4.391 -1.469 1.00 6.87 H new ATOM 0 HD23 LEU A 69 6.154 5.444 -0.602 1.00 6.87 H new ATOM 1115 N VAL A 70 7.015 1.526 3.145 1.00 4.29 N ATOM 1116 CA VAL A 70 8.379 1.484 3.574 1.00 6.26 C ATOM 1117 C VAL A 70 9.090 1.250 2.285 1.00 9.22 C ATOM 1118 O VAL A 70 8.585 0.580 1.386 1.00 9.36 O ATOM 1119 CB VAL A 70 8.431 0.416 4.625 1.00 8.69 C ATOM 1120 CG1 VAL A 70 9.870 -0.016 4.954 1.00 9.76 C ATOM 1121 CG2 VAL A 70 7.679 0.807 5.908 1.00 8.54 C ATOM 0 H VAL A 70 6.591 0.615 2.971 1.00 4.29 H new ATOM 0 HA VAL A 70 8.835 2.351 4.052 1.00 6.26 H new ATOM 0 HB VAL A 70 7.916 -0.441 4.191 1.00 8.69 H new ATOM 0 HG11 VAL A 70 9.851 -0.791 5.720 1.00 9.76 H new ATOM 0 HG12 VAL A 70 10.347 -0.406 4.055 1.00 9.76 H new ATOM 0 HG13 VAL A 70 10.433 0.843 5.320 1.00 9.76 H new ATOM 0 HG21 VAL A 70 7.750 -0.004 6.633 1.00 8.54 H new ATOM 0 HG22 VAL A 70 8.122 1.710 6.328 1.00 8.54 H new ATOM 0 HG23 VAL A 70 6.631 0.992 5.673 1.00 8.54 H new ATOM 1131 N LEU A 71 10.346 1.726 2.203 1.00 12.71 N ATOM 1132 CA LEU A 71 11.155 1.440 1.059 1.00 16.06 C ATOM 1133 C LEU A 71 12.080 0.333 1.432 1.00 18.09 C ATOM 1134 O LEU A 71 11.941 -0.315 2.469 1.00 19.26 O ATOM 1135 CB LEU A 71 11.867 2.668 0.468 1.00 17.10 C ATOM 1136 CG LEU A 71 10.908 3.707 -0.136 1.00 19.37 C ATOM 1137 CD1 LEU A 71 11.849 4.821 -0.626 1.00 19.57 C ATOM 1138 CD2 LEU A 71 10.000 3.268 -1.297 1.00 17.51 C ATOM 0 H LEU A 71 10.796 2.300 2.916 1.00 12.71 H new ATOM 0 HA LEU A 71 10.514 1.124 0.236 1.00 16.06 H new ATOM 0 HB2 LEU A 71 12.460 3.144 1.249 1.00 17.10 H new ATOM 0 HB3 LEU A 71 12.563 2.337 -0.303 1.00 17.10 H new ATOM 0 HG LEU A 71 10.181 3.974 0.631 1.00 19.37 H new ATOM 0 HD11 LEU A 71 11.262 5.620 -1.079 1.00 19.57 H new ATOM 0 HD12 LEU A 71 12.413 5.218 0.218 1.00 19.57 H new ATOM 0 HD13 LEU A 71 12.540 4.415 -1.365 1.00 19.57 H new ATOM 0 HD21 LEU A 71 9.383 4.109 -1.614 1.00 17.51 H new ATOM 0 HD22 LEU A 71 10.614 2.933 -2.133 1.00 17.51 H new ATOM 0 HD23 LEU A 71 9.358 2.451 -0.968 1.00 17.51 H new ATOM 1150 N ARG A 72 13.024 0.027 0.524 1.00 21.47 N ATOM 1151 CA ARG A 72 13.822 -1.156 0.615 1.00 25.83 C ATOM 1152 C ARG A 72 15.068 -1.033 1.422 1.00 27.74 C ATOM 1153 O ARG A 72 15.450 -1.834 2.274 1.00 30.65 O ATOM 1154 CB ARG A 72 14.294 -1.732 -0.731 1.00 28.49 C ATOM 1155 CG ARG A 72 14.638 -3.213 -0.561 1.00 31.79 C ATOM 1156 CD ARG A 72 15.332 -3.840 -1.771 1.00 34.05 C ATOM 1157 NE ARG A 72 15.614 -5.275 -1.490 1.00 35.08 N ATOM 1158 CZ ARG A 72 16.305 -6.115 -2.316 1.00 34.67 C ATOM 1159 NH1 ARG A 72 16.920 -5.752 -3.479 1.00 35.02 N ATOM 1160 NH2 ARG A 72 16.330 -7.443 -2.002 1.00 34.97 N ATOM 0 H ARG A 72 13.237 0.610 -0.286 1.00 21.47 H new ATOM 0 HA ARG A 72 13.103 -1.814 1.103 1.00 25.83 H new ATOM 0 HB2 ARG A 72 13.514 -1.613 -1.483 1.00 28.49 H new ATOM 0 HB3 ARG A 72 15.166 -1.184 -1.087 1.00 28.49 H new ATOM 0 HG2 ARG A 72 15.281 -3.327 0.312 1.00 31.79 H new ATOM 0 HG3 ARG A 72 13.721 -3.766 -0.356 1.00 31.79 H new ATOM 0 HD2 ARG A 72 14.700 -3.748 -2.655 1.00 34.05 H new ATOM 0 HD3 ARG A 72 16.260 -3.311 -1.986 1.00 34.05 H new ATOM 0 HE ARG A 72 15.264 -5.660 -0.613 1.00 35.08 H new ATOM 0 HH11 ARG A 72 16.885 -4.782 -3.794 1.00 35.02 H new ATOM 0 HH12 ARG A 72 17.415 -6.450 -4.034 1.00 35.02 H new ATOM 0 HH21 ARG A 72 15.842 -7.780 -1.172 1.00 34.97 H new ATOM 0 HH22 ARG A 72 16.837 -8.098 -2.597 1.00 34.97 H new ATOM 1174 N LEU A 73 15.853 0.040 1.218 1.00 28.93 N ATOM 1175 CA LEU A 73 17.160 0.289 1.743 1.00 30.76 C ATOM 1176 C LEU A 73 17.157 0.870 3.115 1.00 32.18 C ATOM 1177 O LEU A 73 17.443 0.191 4.099 1.00 32.31 O ATOM 1178 CB LEU A 73 18.033 1.119 0.787 1.00 30.53 C ATOM 1179 CG LEU A 73 19.433 1.542 1.262 1.00 30.16 C ATOM 1180 CD1 LEU A 73 20.216 0.224 1.143 1.00 29.11 C ATOM 1181 CD2 LEU A 73 20.005 2.686 0.408 1.00 29.57 C ATOM 0 H LEU A 73 15.538 0.809 0.626 1.00 28.93 H new ATOM 0 HA LEU A 73 17.615 -0.698 1.832 1.00 30.76 H new ATOM 0 HB2 LEU A 73 18.152 0.549 -0.134 1.00 30.53 H new ATOM 0 HB3 LEU A 73 17.481 2.024 0.533 1.00 30.53 H new ATOM 0 HG LEU A 73 19.464 1.957 2.269 1.00 30.16 H new ATOM 0 HD11 LEU A 73 21.248 0.384 1.456 1.00 29.11 H new ATOM 0 HD12 LEU A 73 19.757 -0.531 1.781 1.00 29.11 H new ATOM 0 HD13 LEU A 73 20.199 -0.117 0.108 1.00 29.11 H new ATOM 0 HD21 LEU A 73 20.995 2.955 0.776 1.00 29.57 H new ATOM 0 HD22 LEU A 73 20.080 2.363 -0.630 1.00 29.57 H new ATOM 0 HD23 LEU A 73 19.346 3.552 0.472 1.00 29.57 H new ATOM 1193 N ARG A 74 16.823 2.171 3.185 1.00 33.82 N ATOM 1194 CA ARG A 74 16.906 2.943 4.386 1.00 35.33 C ATOM 1195 C ARG A 74 15.599 2.983 5.101 1.00 36.22 C ATOM 1196 O ARG A 74 14.548 3.020 4.464 1.00 36.70 O ATOM 1197 CB ARG A 74 17.382 4.401 4.272 1.00 36.91 C ATOM 1198 CG ARG A 74 18.878 4.412 3.950 1.00 38.62 C ATOM 1199 CD ARG A 74 19.564 5.778 4.014 1.00 39.75 C ATOM 1200 NE ARG A 74 18.994 6.628 2.931 1.00 41.13 N ATOM 1201 CZ ARG A 74 18.821 7.981 2.987 1.00 41.91 C ATOM 1202 NH1 ARG A 74 18.872 8.618 4.192 1.00 42.75 N ATOM 1203 NH2 ARG A 74 18.671 8.700 1.836 1.00 41.93 N ATOM 0 H ARG A 74 16.485 2.702 2.382 1.00 33.82 H new ATOM 0 HA ARG A 74 17.684 2.402 4.926 1.00 35.33 H new ATOM 0 HB2 ARG A 74 16.825 4.919 3.491 1.00 36.91 H new ATOM 0 HB3 ARG A 74 17.194 4.933 5.205 1.00 36.91 H new ATOM 0 HG2 ARG A 74 19.384 3.740 4.643 1.00 38.62 H new ATOM 0 HG3 ARG A 74 19.018 4.003 2.949 1.00 38.62 H new ATOM 0 HD2 ARG A 74 19.402 6.241 4.987 1.00 39.75 H new ATOM 0 HD3 ARG A 74 20.641 5.670 3.887 1.00 39.75 H new ATOM 0 HE ARG A 74 18.708 6.158 2.072 1.00 41.13 H new ATOM 0 HH11 ARG A 74 19.039 8.084 5.045 1.00 42.75 H new ATOM 0 HH12 ARG A 74 18.744 9.629 4.240 1.00 42.75 H new ATOM 0 HH21 ARG A 74 18.688 8.226 0.933 1.00 41.93 H new ATOM 0 HH22 ARG A 74 18.542 9.711 1.879 1.00 41.93 H new ATOM 1217 N GLY A 75 15.616 2.931 6.444 1.00 36.31 N ATOM 1218 CA GLY A 75 14.414 2.929 7.220 1.00 36.07 C ATOM 1219 C GLY A 75 14.733 3.427 8.588 1.00 36.16 C ATOM 1220 O GLY A 75 15.821 3.951 8.824 1.00 36.26 O ATOM 0 H GLY A 75 16.471 2.890 6.998 1.00 36.31 H new ATOM 0 HA2 GLY A 75 13.660 3.563 6.752 1.00 36.07 H new ATOM 0 HA3 GLY A 75 13.998 1.923 7.271 1.00 36.07 H new ATOM 1224 N GLY A 76 13.866 3.168 9.582 1.00 36.05 N ATOM 1225 CA GLY A 76 14.128 3.580 10.926 1.00 36.19 C ATOM 1226 C GLY A 76 12.864 3.836 11.735 1.00 36.20 C ATOM 1227 O GLY A 76 12.260 4.916 11.498 1.00 36.13 O ATOM 1228 OXT GLY A 76 12.426 3.027 12.597 1.00 36.27 O ATOM 0 H GLY A 76 12.983 2.673 9.456 1.00 36.05 H new ATOM 0 HA2 GLY A 76 14.721 2.813 11.425 1.00 36.19 H new ATOM 0 HA3 GLY A 76 14.730 4.488 10.909 1.00 36.19 H new TER 1232 GLY A 76