USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot -72:sc= 0.987 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 22 THR OG1 : rot -46:sc= 0.269 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.616 K(o=0.88,f=-3!) USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 0.43 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.00266 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -172:sc= 2.36 (180deg=2.35) USER MOD Single : A 2 GLN : amide:sc= -0.194 X(o=-0.19,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 178:sc= 1.21 (180deg=1.18) 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+ -162:sc= 1.22 (180deg=1.08) USER MOD Single : A 29 LYS NZ :NH3+ 140:sc= 1.25 (180deg=1.03) USER MOD Single : A 31 GLN : amide:sc= -0.721 X(o=-0.72,f=-1.1) USER MOD Single : A 33 LYS NZ :NH3+ -162:sc= -0.0593 (180deg=-0.461) USER MOD Single : A 40 GLN : amide:sc= -0.195 K(o=-0.2,f=-1.7!) USER MOD Single : A 41 GLN : amide:sc= -0.0863 K(o=-0.086,f=-6.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 90:sc= 0.473 USER MOD Single : A 60 ASN : amide:sc= -0.168 X(o=-0.17,f=-0.19) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 63 LYS NZ :NH3+ -127:sc= 1.25 (180deg=-0.287) 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 HE2:sc= 0.0186 X(o=0.019,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.319 -7.558 -4.990 1.00 9.67 N ATOM 2 CA MET A 1 11.222 -7.922 -3.549 1.00 10.38 C ATOM 3 C MET A 1 9.757 -8.103 -3.037 1.00 9.62 C ATOM 4 O MET A 1 8.794 -7.516 -3.603 1.00 9.62 O ATOM 5 CB MET A 1 11.929 -6.776 -2.760 1.00 13.77 C ATOM 6 CG MET A 1 11.121 -5.502 -2.480 1.00 16.29 C ATOM 7 SD MET A 1 12.096 -4.312 -1.654 1.00 17.17 S ATOM 8 CE MET A 1 10.777 -3.107 -1.363 1.00 16.11 C ATOM 0 H1 MET A 1 12.315 -7.588 -5.289 1.00 9.67 H new ATOM 0 H2 MET A 1 10.767 -8.233 -5.556 1.00 9.67 H new ATOM 0 H3 MET A 1 10.944 -6.599 -5.132 1.00 9.67 H new ATOM 0 HA MET A 1 11.694 -8.893 -3.398 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.259 -7.181 -1.804 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.825 -6.491 -3.312 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.752 -5.087 -3.418 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.248 -5.746 -1.874 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.183 -2.244 -0.835 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.361 -2.786 -2.318 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.992 -3.565 -0.761 1.00 16.11 H new ATOM 20 N GLN A 2 9.576 -8.984 -2.077 1.00 9.27 N ATOM 21 CA GLN A 2 8.290 -9.214 -1.428 1.00 9.07 C ATOM 22 C GLN A 2 7.964 -8.058 -0.454 1.00 8.72 C ATOM 23 O GLN A 2 8.758 -7.608 0.353 1.00 8.22 O ATOM 24 CB GLN A 2 8.435 -10.559 -0.656 1.00 14.46 C ATOM 25 CG GLN A 2 8.545 -11.794 -1.594 1.00 17.01 C ATOM 26 CD GLN A 2 8.504 -13.086 -0.731 1.00 20.10 C ATOM 27 OE1 GLN A 2 9.484 -13.430 -0.069 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.286 -13.740 -0.756 1.00 19.49 N ATOM 0 H GLN A 2 10.326 -9.573 -1.715 1.00 9.27 H new ATOM 0 HA GLN A 2 7.477 -9.258 -2.153 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.320 -10.513 -0.021 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.576 -10.687 0.003 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.726 -11.795 -2.314 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.472 -11.752 -2.166 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.527 -13.382 -1.336 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.147 -14.580 -0.194 1.00 19.49 H new ATOM 37 N ILE A 3 6.692 -7.638 -0.442 1.00 5.87 N ATOM 38 CA ILE A 3 6.173 -6.797 0.634 1.00 5.07 C ATOM 39 C ILE A 3 4.835 -7.317 1.153 1.00 4.01 C ATOM 40 O ILE A 3 4.227 -8.100 0.439 1.00 4.61 O ATOM 41 CB ILE A 3 6.104 -5.316 0.359 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.127 -5.038 -0.783 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.485 -4.696 0.061 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.667 -3.560 -0.893 1.00 10.83 C ATOM 0 H ILE A 3 6.009 -7.868 -1.164 1.00 5.87 H new ATOM 0 HA ILE A 3 6.933 -6.885 1.410 1.00 5.07 H new ATOM 0 HB ILE A 3 5.742 -4.838 1.269 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.595 -5.330 -1.723 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.248 -5.670 -0.654 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.371 -3.629 -0.129 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.143 -4.844 0.917 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.918 -5.177 -0.816 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.976 -3.455 -1.730 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.167 -3.265 0.030 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.534 -2.920 -1.056 1.00 10.83 H new ATOM 56 N PHE A 4 4.369 -7.034 2.395 1.00 4.55 N ATOM 57 CA PHE A 4 3.202 -7.569 2.966 1.00 4.68 C ATOM 58 C PHE A 4 2.262 -6.412 3.166 1.00 5.30 C ATOM 59 O PHE A 4 2.518 -5.345 3.715 1.00 5.58 O ATOM 60 CB PHE A 4 3.429 -8.329 4.270 1.00 4.83 C ATOM 61 CG PHE A 4 4.495 -9.391 4.125 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.368 -10.513 3.291 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.670 -9.251 4.963 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.360 -11.523 3.356 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.531 -10.357 5.085 1.00 10.61 C ATOM 66 CZ PHE A 4 6.403 -11.546 4.318 1.00 8.90 C ATOM 0 H PHE A 4 4.853 -6.390 3.021 1.00 4.55 H new ATOM 0 HA PHE A 4 2.792 -8.323 2.294 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.719 -7.628 5.053 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.495 -8.793 4.587 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.532 -10.605 2.614 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.878 -8.325 5.478 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.320 -12.322 2.631 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.336 -10.299 5.803 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.049 -12.400 4.456 1.00 8.90 H new ATOM 76 N VAL A 5 1.012 -6.596 2.766 1.00 4.44 N ATOM 77 CA VAL A 5 -0.086 -5.681 3.015 1.00 3.87 C ATOM 78 C VAL A 5 -1.113 -6.366 3.891 1.00 4.93 C ATOM 79 O VAL A 5 -1.683 -7.382 3.518 1.00 6.84 O ATOM 80 CB VAL A 5 -0.615 -5.179 1.659 1.00 2.99 C ATOM 81 CG1 VAL A 5 -2.061 -4.655 1.690 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.393 -4.115 1.127 1.00 9.13 C ATOM 0 H VAL A 5 0.727 -7.421 2.238 1.00 4.44 H new ATOM 0 HA VAL A 5 0.224 -4.795 3.569 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.676 -6.028 0.978 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.349 -4.323 0.693 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.730 -5.452 2.014 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -2.130 -3.818 2.385 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.048 -3.737 0.165 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.461 -3.291 1.837 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.375 -4.572 1.007 1.00 9.13 H new ATOM 92 N LYS A 6 -1.388 -5.788 5.046 1.00 6.04 N ATOM 93 CA LYS A 6 -2.108 -6.443 6.151 1.00 6.12 C ATOM 94 C LYS A 6 -3.277 -5.639 6.542 1.00 6.57 C ATOM 95 O LYS A 6 -3.140 -4.448 6.724 1.00 5.76 O ATOM 96 CB LYS A 6 -1.158 -6.676 7.371 1.00 7.45 C ATOM 97 CG LYS A 6 -1.836 -7.640 8.397 1.00 11.12 C ATOM 98 CD LYS A 6 -1.096 -8.110 9.710 1.00 14.54 C ATOM 99 CE LYS A 6 -1.711 -9.363 10.414 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.819 -9.816 11.518 1.00 20.55 N ATOM 0 H LYS A 6 -1.116 -4.828 5.258 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.458 -7.417 5.809 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.213 -7.099 7.031 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -0.927 -5.725 7.850 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.765 -7.164 8.712 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.110 -8.542 7.849 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.057 -8.326 9.463 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.090 -7.282 10.419 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -2.698 -9.121 10.809 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.846 -10.167 9.691 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.235 -10.649 11.981 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.114 -10.065 11.131 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.712 -9.051 12.214 1.00 20.55 H new ATOM 114 N THR A 7 -4.492 -6.252 6.525 1.00 7.41 N ATOM 115 CA THR A 7 -5.688 -5.499 7.001 1.00 7.48 C ATOM 116 C THR A 7 -5.781 -5.469 8.546 1.00 8.75 C ATOM 117 O THR A 7 -5.247 -6.368 9.218 1.00 8.58 O ATOM 118 CB THR A 7 -7.063 -5.936 6.448 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.187 -7.291 6.851 1.00 11.78 O ATOM 120 CG2 THR A 7 -7.021 -5.817 4.908 1.00 9.17 C ATOM 0 H THR A 7 -4.667 -7.206 6.208 1.00 7.41 H new ATOM 0 HA THR A 7 -5.497 -4.509 6.587 1.00 7.48 H new ATOM 0 HB THR A 7 -7.900 -5.336 6.806 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.044 -7.648 6.538 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.982 -6.121 4.493 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.815 -4.784 4.628 1.00 9.17 H new ATOM 0 HG23 THR A 7 -6.236 -6.463 4.514 1.00 9.17 H new ATOM 128 N LEU A 8 -6.643 -4.550 9.148 1.00 9.84 N ATOM 129 CA LEU A 8 -6.970 -4.662 10.546 1.00 14.15 C ATOM 130 C LEU A 8 -7.787 -5.828 10.958 1.00 17.37 C ATOM 131 O LEU A 8 -7.799 -6.239 12.091 1.00 17.01 O ATOM 132 CB LEU A 8 -7.750 -3.433 11.059 1.00 16.63 C ATOM 133 CG LEU A 8 -6.992 -2.144 10.742 1.00 18.88 C ATOM 134 CD1 LEU A 8 -7.958 -1.041 10.323 1.00 19.31 C ATOM 135 CD2 LEU A 8 -6.102 -1.635 11.958 1.00 18.59 C ATOM 0 H LEU A 8 -7.084 -3.768 8.664 1.00 9.84 H new ATOM 0 HA LEU A 8 -5.975 -4.767 10.978 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.737 -3.404 10.598 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -7.903 -3.516 12.135 1.00 16.63 H new ATOM 0 HG LEU A 8 -6.319 -2.380 9.918 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -7.399 -0.132 10.102 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.506 -1.355 9.435 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.661 -0.846 11.133 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -5.588 -0.717 11.673 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -6.740 -1.441 12.820 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -5.367 -2.398 12.215 1.00 18.59 H new ATOM 147 N THR A 9 -8.507 -6.376 9.962 1.00 18.33 N ATOM 148 CA THR A 9 -9.492 -7.421 10.209 1.00 19.24 C ATOM 149 C THR A 9 -8.892 -8.781 9.870 1.00 19.48 C ATOM 150 O THR A 9 -9.584 -9.782 9.872 1.00 23.14 O ATOM 151 CB THR A 9 -10.718 -7.220 9.307 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.389 -6.870 7.978 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.572 -6.150 9.958 1.00 19.70 C ATOM 0 H THR A 9 -8.418 -6.106 8.982 1.00 18.33 H new ATOM 0 HA THR A 9 -9.782 -7.374 11.259 1.00 19.24 H new ATOM 0 HB THR A 9 -11.255 -8.164 9.219 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.211 -6.758 7.456 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.459 -5.972 9.350 1.00 19.70 H new ATOM 0 HG22 THR A 9 -11.874 -6.480 10.952 1.00 19.70 H new ATOM 0 HG23 THR A 9 -10.998 -5.227 10.041 1.00 19.70 H new ATOM 161 N GLY A 10 -7.576 -8.894 9.604 1.00 19.43 N ATOM 162 CA GLY A 10 -6.833 -10.178 9.738 1.00 18.74 C ATOM 163 C GLY A 10 -6.396 -10.872 8.425 1.00 17.62 C ATOM 164 O GLY A 10 -6.133 -12.107 8.410 1.00 19.74 O ATOM 0 H GLY A 10 -6.998 -8.113 9.294 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.942 -9.994 10.338 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.456 -10.874 10.299 1.00 18.74 H new ATOM 168 N LYS A 11 -6.283 -10.143 7.329 1.00 13.56 N ATOM 169 CA LYS A 11 -5.803 -10.710 6.040 1.00 11.91 C ATOM 170 C LYS A 11 -4.517 -10.063 5.604 1.00 10.18 C ATOM 171 O LYS A 11 -4.461 -8.855 5.386 1.00 9.10 O ATOM 172 CB LYS A 11 -6.882 -10.525 4.883 1.00 13.43 C ATOM 173 CG LYS A 11 -6.368 -11.129 3.558 1.00 16.69 C ATOM 174 CD LYS A 11 -7.533 -11.149 2.534 1.00 17.92 C ATOM 175 CE LYS A 11 -7.074 -11.989 1.357 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.115 -12.214 0.385 1.00 21.93 N ATOM 0 H LYS A 11 -6.514 -9.150 7.286 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.637 -11.773 6.212 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.817 -11.007 5.170 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.098 -9.465 4.746 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.536 -10.540 3.172 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.993 -12.139 3.724 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.433 -11.571 2.982 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.781 -10.138 2.212 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.232 -11.495 0.872 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.712 -12.950 1.723 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.734 -12.764 -0.411 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.895 -12.740 0.827 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.468 -11.300 0.036 1.00 21.93 H new ATOM 190 N THR A 12 -3.421 -10.879 5.561 1.00 9.63 N ATOM 191 CA THR A 12 -2.202 -10.453 4.960 1.00 9.85 C ATOM 192 C THR A 12 -2.211 -10.902 3.476 1.00 11.66 C ATOM 193 O THR A 12 -2.729 -11.994 3.177 1.00 12.33 O ATOM 194 CB THR A 12 -0.958 -11.136 5.651 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.919 -10.904 7.015 1.00 10.91 O ATOM 196 CG2 THR A 12 0.307 -10.391 5.163 1.00 9.63 C ATOM 0 H THR A 12 -3.397 -11.824 5.944 1.00 9.63 H new ATOM 0 HA THR A 12 -2.124 -9.371 5.063 1.00 9.85 H new ATOM 0 HB THR A 12 -1.015 -12.200 5.423 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.134 -11.347 7.400 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.191 -10.836 5.621 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.381 -10.471 4.078 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.242 -9.340 5.446 1.00 9.63 H new ATOM 204 N ILE A 13 -1.753 -10.046 2.564 1.00 10.42 N ATOM 205 CA ILE A 13 -1.500 -10.293 1.132 1.00 11.84 C ATOM 206 C ILE A 13 -0.032 -9.979 0.954 1.00 10.55 C ATOM 207 O ILE A 13 0.532 -9.087 1.548 1.00 11.92 O ATOM 208 CB ILE A 13 -2.477 -9.720 0.116 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.325 -8.166 0.043 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.870 -10.134 0.502 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.387 -7.526 -0.906 1.00 16.46 C ATOM 0 H ILE A 13 -1.529 -9.084 2.820 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.717 -11.330 0.876 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.265 -10.108 -0.880 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.428 -7.743 1.042 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.324 -7.914 -0.308 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.582 -9.730 -0.218 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.938 -11.222 0.508 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.101 -9.750 1.496 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.249 -6.445 -0.930 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.267 -7.930 -1.911 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.388 -7.756 -0.540 1.00 16.46 H new ATOM 223 N THR A 14 0.658 -10.809 0.073 1.00 9.39 N ATOM 224 CA THR A 14 2.033 -10.785 -0.249 1.00 9.63 C ATOM 225 C THR A 14 2.060 -10.278 -1.653 1.00 11.20 C ATOM 226 O THR A 14 1.359 -10.759 -2.525 1.00 11.63 O ATOM 227 CB THR A 14 2.756 -12.172 -0.228 1.00 10.38 C ATOM 228 OG1 THR A 14 2.656 -12.793 1.037 1.00 16.30 O ATOM 229 CG2 THR A 14 4.281 -11.910 -0.399 1.00 11.66 C ATOM 0 H THR A 14 0.170 -11.547 -0.436 1.00 9.39 H new ATOM 0 HA THR A 14 2.558 -10.185 0.495 1.00 9.63 H new ATOM 0 HB THR A 14 2.307 -12.791 -1.005 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.117 -13.658 1.014 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.817 -12.859 -0.389 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.459 -11.403 -1.347 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.637 -11.284 0.419 1.00 11.66 H new ATOM 237 N LEU A 15 2.916 -9.284 -1.957 1.00 8.29 N ATOM 238 CA LEU A 15 2.970 -8.626 -3.251 1.00 9.03 C ATOM 239 C LEU A 15 4.410 -8.720 -3.740 1.00 8.59 C ATOM 240 O LEU A 15 5.327 -8.771 -2.911 1.00 7.79 O ATOM 241 CB LEU A 15 2.487 -7.187 -3.337 1.00 11.08 C ATOM 242 CG LEU A 15 1.144 -6.836 -2.612 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.997 -5.258 -2.757 1.00 15.88 C ATOM 244 CD2 LEU A 15 -0.119 -7.471 -3.239 1.00 15.27 C ATOM 0 H LEU A 15 3.596 -8.919 -1.290 1.00 8.29 H new ATOM 0 HA LEU A 15 2.250 -9.153 -3.877 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.268 -6.544 -2.931 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.379 -6.930 -4.391 1.00 11.08 H new ATOM 0 HG LEU A 15 1.199 -7.215 -1.592 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.077 -4.932 -2.273 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.849 -4.768 -2.285 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.965 -4.991 -3.813 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.998 -7.171 -2.669 1.00 15.27 H new ATOM 0 HD22 LEU A 15 -0.222 -7.133 -4.270 1.00 15.27 H new ATOM 0 HD23 LEU A 15 -0.028 -8.557 -3.220 1.00 15.27 H new ATOM 256 N GLU A 16 4.701 -8.760 -5.048 1.00 11.04 N ATOM 257 CA GLU A 16 6.071 -8.713 -5.568 1.00 11.50 C ATOM 258 C GLU A 16 6.269 -7.347 -6.222 1.00 10.13 C ATOM 259 O GLU A 16 5.751 -7.005 -7.277 1.00 9.83 O ATOM 260 CB GLU A 16 6.333 -9.867 -6.603 1.00 17.22 C ATOM 261 CG GLU A 16 7.724 -9.844 -7.345 1.00 23.33 C ATOM 262 CD GLU A 16 8.992 -9.875 -6.517 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.139 -10.838 -5.722 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.756 -8.948 -6.672 1.00 28.90 O ATOM 0 H GLU A 16 3.989 -8.826 -5.776 1.00 11.04 H new ATOM 0 HA GLU A 16 6.781 -8.856 -4.754 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.240 -10.820 -6.082 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.545 -9.836 -7.355 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.751 -10.697 -8.023 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.754 -8.946 -7.962 1.00 23.33 H new ATOM 271 N VAL A 17 7.205 -6.525 -5.620 1.00 8.99 N ATOM 272 CA VAL A 17 7.419 -5.120 -6.008 1.00 8.85 C ATOM 273 C VAL A 17 8.859 -4.844 -6.239 1.00 8.04 C ATOM 274 O VAL A 17 9.722 -5.625 -5.861 1.00 8.99 O ATOM 275 CB VAL A 17 6.875 -4.086 -5.090 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.354 -4.365 -4.814 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.611 -4.096 -3.658 1.00 10.54 C ATOM 0 H VAL A 17 7.814 -6.836 -4.863 1.00 8.99 H new ATOM 0 HA VAL A 17 6.838 -5.029 -6.926 1.00 8.85 H new ATOM 0 HB VAL A 17 7.034 -3.125 -5.579 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.961 -3.604 -4.140 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.803 -4.338 -5.754 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.242 -5.348 -4.356 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.179 -3.323 -3.022 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.478 -5.070 -3.187 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.675 -3.901 -3.794 1.00 10.54 H new ATOM 287 N GLU A 18 9.165 -3.660 -6.767 1.00 7.29 N ATOM 288 CA GLU A 18 10.482 -3.036 -6.640 1.00 7.08 C ATOM 289 C GLU A 18 10.564 -1.800 -5.768 1.00 6.45 C ATOM 290 O GLU A 18 9.576 -1.071 -5.661 1.00 5.28 O ATOM 291 CB GLU A 18 11.090 -2.737 -7.976 1.00 10.28 C ATOM 292 CG GLU A 18 11.399 -3.989 -8.823 1.00 12.65 C ATOM 293 CD GLU A 18 12.410 -4.986 -8.257 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.640 -4.666 -8.158 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.035 -6.127 -7.950 1.00 18.17 O ATOM 0 H GLU A 18 8.499 -3.101 -7.300 1.00 7.29 H new ATOM 0 HA GLU A 18 11.054 -3.802 -6.116 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.412 -2.092 -8.535 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.013 -2.177 -7.826 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.462 -4.519 -8.995 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.761 -3.657 -9.796 1.00 12.65 H new ATOM 302 N PRO A 19 11.685 -1.426 -5.106 1.00 7.24 N ATOM 303 CA PRO A 19 11.688 -0.224 -4.246 1.00 7.07 C ATOM 304 C PRO A 19 11.481 1.093 -4.939 1.00 6.65 C ATOM 305 O PRO A 19 11.132 2.142 -4.328 1.00 6.37 O ATOM 306 CB PRO A 19 13.107 -0.266 -3.576 1.00 7.61 C ATOM 307 CG PRO A 19 13.765 -1.632 -4.031 1.00 8.16 C ATOM 308 CD PRO A 19 12.797 -2.371 -4.842 1.00 7.49 C ATOM 0 HA PRO A 19 10.840 -0.264 -3.562 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.713 0.583 -3.892 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.027 -0.214 -2.490 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.672 -1.442 -4.605 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.056 -2.220 -3.160 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.248 -2.714 -5.773 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.441 -3.256 -4.315 1.00 7.49 H new ATOM 316 N SER A 20 11.748 1.131 -6.240 1.00 6.80 N ATOM 317 CA SER A 20 11.423 2.388 -7.047 1.00 6.28 C ATOM 318 C SER A 20 9.948 2.604 -7.410 1.00 8.45 C ATOM 319 O SER A 20 9.600 3.701 -7.714 1.00 7.26 O ATOM 320 CB SER A 20 12.294 2.427 -8.305 1.00 8.57 C ATOM 321 OG SER A 20 11.966 1.430 -9.238 1.00 11.13 O ATOM 0 H SER A 20 12.167 0.368 -6.772 1.00 6.80 H new ATOM 0 HA SER A 20 11.650 3.217 -6.377 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.194 3.404 -8.778 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.340 2.317 -8.018 1.00 8.57 H new ATOM 0 HG SER A 20 12.553 1.507 -10.019 1.00 11.13 H new ATOM 327 N ASP A 21 9.178 1.524 -7.369 1.00 7.50 N ATOM 328 CA ASP A 21 7.746 1.536 -7.602 1.00 7.70 C ATOM 329 C ASP A 21 6.942 2.348 -6.615 1.00 7.08 C ATOM 330 O ASP A 21 7.153 2.391 -5.443 1.00 8.11 O ATOM 331 CB ASP A 21 7.220 0.027 -7.553 1.00 11.00 C ATOM 332 CG ASP A 21 7.530 -0.743 -8.791 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.565 -0.125 -9.891 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.696 -1.999 -8.674 1.00 18.03 O ATOM 0 H ASP A 21 9.545 0.594 -7.167 1.00 7.50 H new ATOM 0 HA ASP A 21 7.602 2.012 -8.572 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.666 -0.479 -6.697 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.142 0.030 -7.395 1.00 11.00 H new ATOM 339 N THR A 22 6.021 3.207 -7.080 1.00 5.37 N ATOM 340 CA THR A 22 5.279 4.204 -6.398 1.00 6.01 C ATOM 341 C THR A 22 4.145 3.604 -5.504 1.00 8.01 C ATOM 342 O THR A 22 3.773 2.416 -5.699 1.00 8.11 O ATOM 343 CB THR A 22 4.684 5.326 -7.256 1.00 8.92 C ATOM 344 OG1 THR A 22 3.842 4.808 -8.305 1.00 10.22 O ATOM 345 CG2 THR A 22 5.856 6.037 -7.842 1.00 9.65 C ATOM 0 H THR A 22 5.771 3.191 -8.069 1.00 5.37 H new ATOM 0 HA THR A 22 6.051 4.668 -5.784 1.00 6.01 H new ATOM 0 HB THR A 22 4.053 5.983 -6.657 1.00 8.92 H new ATOM 0 HG1 THR A 22 4.294 4.059 -8.747 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.507 6.856 -8.471 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.479 6.434 -7.040 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.440 5.341 -8.444 1.00 9.65 H new ATOM 353 N ILE A 23 3.598 4.331 -4.488 1.00 8.32 N ATOM 354 CA ILE A 23 2.381 3.916 -3.851 1.00 9.92 C ATOM 355 C ILE A 23 1.225 3.847 -4.885 1.00 10.01 C ATOM 356 O ILE A 23 0.306 3.050 -4.821 1.00 8.71 O ATOM 357 CB ILE A 23 1.962 4.618 -2.554 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.067 4.548 -1.408 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.593 4.094 -2.058 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.401 3.201 -0.890 1.00 12.30 C ATOM 0 H ILE A 23 3.999 5.193 -4.119 1.00 8.32 H new ATOM 0 HA ILE A 23 2.621 2.921 -3.477 1.00 9.92 H new ATOM 0 HB ILE A 23 1.859 5.675 -2.798 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.982 5.003 -1.788 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.730 5.161 -0.572 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.319 4.608 -1.137 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.166 4.282 -2.818 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.660 3.023 -1.870 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.164 3.288 -0.116 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.507 2.741 -0.468 1.00 12.30 H new ATOM 0 HD13 ILE A 23 3.778 2.581 -1.704 1.00 12.30 H new ATOM 372 N GLU A 24 1.283 4.651 -5.964 1.00 9.54 N ATOM 373 CA GLU A 24 0.417 4.531 -7.070 1.00 11.81 C ATOM 374 C GLU A 24 0.412 3.157 -7.684 1.00 11.14 C ATOM 375 O GLU A 24 -0.553 2.432 -7.755 1.00 10.62 O ATOM 376 CB GLU A 24 0.631 5.636 -8.090 1.00 19.24 C ATOM 377 CG GLU A 24 -0.512 5.837 -9.149 1.00 27.76 C ATOM 378 CD GLU A 24 -0.167 6.824 -10.264 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.463 6.338 -11.261 1.00 34.80 O ATOM 380 OE2 GLU A 24 -0.590 8.018 -10.163 1.00 36.51 O ATOM 0 H GLU A 24 1.961 5.407 -6.058 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.590 4.665 -6.675 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.769 6.575 -7.553 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.560 5.434 -8.623 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.752 4.872 -9.595 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.409 6.184 -8.637 1.00 27.76 H new ATOM 387 N ASN A 25 1.634 2.612 -8.045 1.00 9.43 N ATOM 388 CA ASN A 25 1.753 1.208 -8.458 1.00 10.96 C ATOM 389 C ASN A 25 1.341 0.146 -7.475 1.00 9.68 C ATOM 390 O ASN A 25 0.804 -0.895 -7.849 1.00 9.33 O ATOM 391 CB ASN A 25 3.197 0.827 -8.858 1.00 16.78 C ATOM 392 CG ASN A 25 3.663 1.703 -9.964 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.666 2.426 -9.826 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.976 1.755 -11.133 1.00 24.70 N ATOM 0 H ASN A 25 2.512 3.131 -8.050 1.00 9.43 H new ATOM 0 HA ASN A 25 1.044 1.203 -9.286 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.860 0.927 -7.999 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.234 -0.217 -9.169 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.285 2.379 -11.879 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.151 1.170 -11.266 1.00 24.70 H new ATOM 401 N VAL A 26 1.609 0.267 -6.170 1.00 6.52 N ATOM 402 CA VAL A 26 1.305 -0.667 -5.108 1.00 5.53 C ATOM 403 C VAL A 26 -0.180 -0.757 -4.873 1.00 4.42 C ATOM 404 O VAL A 26 -0.731 -1.876 -4.810 1.00 3.40 O ATOM 405 CB VAL A 26 1.916 -0.186 -3.754 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.329 -1.069 -2.573 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.437 -0.371 -3.887 1.00 8.12 C ATOM 0 H VAL A 26 2.085 1.095 -5.812 1.00 6.52 H new ATOM 0 HA VAL A 26 1.718 -1.627 -5.418 1.00 5.53 H new ATOM 0 HB VAL A 26 1.675 0.854 -3.533 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.753 -0.737 -1.625 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.245 -0.962 -2.543 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.586 -2.115 -2.739 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.924 -0.050 -2.966 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.661 -1.422 -4.069 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.805 0.228 -4.720 1.00 8.12 H new ATOM 417 N LYS A 27 -0.928 0.372 -4.908 1.00 2.64 N ATOM 418 CA LYS A 27 -2.371 0.469 -5.076 1.00 4.14 C ATOM 419 C LYS A 27 -2.908 -0.357 -6.242 1.00 5.58 C ATOM 420 O LYS A 27 -3.822 -1.151 -6.090 1.00 4.11 O ATOM 421 CB LYS A 27 -3.004 1.964 -5.093 1.00 3.97 C ATOM 422 CG LYS A 27 -3.018 2.614 -3.716 1.00 7.45 C ATOM 423 CD LYS A 27 -3.519 4.021 -3.790 1.00 9.02 C ATOM 424 CE LYS A 27 -3.614 4.751 -2.448 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.048 6.131 -2.580 1.00 15.47 N ATOM 0 H LYS A 27 -0.497 1.291 -4.812 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.724 0.026 -4.144 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.431 2.588 -5.779 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.022 1.918 -5.479 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.650 2.034 -3.043 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -2.012 2.604 -3.296 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.862 4.589 -4.449 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.506 4.014 -4.252 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -4.309 4.218 -1.800 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.640 4.728 -1.959 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.807 6.655 -1.714 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.571 6.569 -3.394 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -5.077 6.159 -2.726 1.00 15.47 H new ATOM 439 N ALA A 28 -2.325 -0.187 -7.418 1.00 6.61 N ATOM 440 CA ALA A 28 -2.658 -0.954 -8.592 1.00 7.74 C ATOM 441 C ALA A 28 -2.472 -2.497 -8.447 1.00 9.17 C ATOM 442 O ALA A 28 -3.221 -3.239 -9.037 1.00 11.45 O ATOM 443 CB ALA A 28 -1.880 -0.509 -9.863 1.00 7.68 C ATOM 0 H ALA A 28 -1.593 0.504 -7.579 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.721 -0.741 -8.705 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.180 -1.128 -10.708 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.105 0.535 -10.080 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.809 -0.621 -9.692 1.00 7.68 H new ATOM 449 N LYS A 29 -1.432 -3.008 -7.709 1.00 8.96 N ATOM 450 CA LYS A 29 -1.113 -4.344 -7.365 1.00 7.90 C ATOM 451 C LYS A 29 -2.171 -4.869 -6.338 1.00 6.92 C ATOM 452 O LYS A 29 -2.613 -6.010 -6.389 1.00 6.87 O ATOM 453 CB LYS A 29 0.300 -4.412 -6.839 1.00 10.28 C ATOM 454 CG LYS A 29 0.957 -5.750 -7.068 1.00 14.94 C ATOM 455 CD LYS A 29 2.409 -5.730 -7.377 1.00 19.69 C ATOM 456 CE LYS A 29 2.772 -5.659 -8.873 1.00 22.63 C ATOM 457 NZ LYS A 29 4.315 -5.609 -9.000 1.00 24.98 N ATOM 0 H LYS A 29 -0.740 -2.370 -7.315 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.153 -4.991 -8.241 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.896 -3.635 -7.318 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.294 -4.196 -5.771 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.806 -6.361 -6.178 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.440 -6.248 -7.888 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.858 -4.875 -6.872 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.864 -6.625 -6.953 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.376 -6.527 -9.401 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.325 -4.776 -9.330 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.617 -6.199 -9.802 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.619 -4.627 -9.159 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.747 -5.968 -8.125 1.00 24.98 H new ATOM 471 N ILE A 30 -2.594 -3.963 -5.399 1.00 4.57 N ATOM 472 CA ILE A 30 -3.695 -4.310 -4.531 1.00 5.58 C ATOM 473 C ILE A 30 -4.988 -4.489 -5.235 1.00 7.26 C ATOM 474 O ILE A 30 -5.803 -5.393 -4.994 1.00 9.46 O ATOM 475 CB ILE A 30 -3.753 -3.450 -3.267 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.385 -3.552 -2.415 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.936 -3.925 -2.384 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.258 -2.362 -1.436 1.00 2.00 C ATOM 0 H ILE A 30 -2.191 -3.038 -5.251 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.478 -5.313 -4.164 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.889 -2.412 -3.569 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.366 -4.490 -1.859 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.530 -3.565 -3.091 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.983 -3.316 -1.481 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.868 -3.823 -2.939 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.789 -4.970 -2.110 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.329 -2.452 -0.873 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.253 -1.428 -1.998 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.102 -2.366 -0.746 1.00 2.00 H new ATOM 490 N GLN A 31 -5.269 -3.663 -6.250 1.00 7.06 N ATOM 491 CA GLN A 31 -6.431 -3.684 -7.183 1.00 8.67 C ATOM 492 C GLN A 31 -6.459 -4.952 -8.048 1.00 10.90 C ATOM 493 O GLN A 31 -7.469 -5.599 -8.320 1.00 9.63 O ATOM 494 CB GLN A 31 -6.437 -2.491 -8.104 1.00 9.12 C ATOM 495 CG GLN A 31 -7.678 -2.306 -9.010 1.00 10.76 C ATOM 496 CD GLN A 31 -7.639 -1.007 -9.711 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.572 -0.562 -10.154 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.767 -0.410 -9.912 1.00 14.76 N ATOM 0 H GLN A 31 -4.641 -2.890 -6.469 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.314 -3.660 -6.544 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.326 -1.593 -7.496 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.557 -2.553 -8.744 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.723 -3.115 -9.740 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.584 -2.370 -8.407 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.628 -0.805 -9.532 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.797 0.456 -10.450 1.00 14.76 H new ATOM 507 N ASP A 32 -5.256 -5.277 -8.505 1.00 10.93 N ATOM 508 CA ASP A 32 -4.915 -6.435 -9.345 1.00 14.01 C ATOM 509 C ASP A 32 -5.160 -7.824 -8.657 1.00 14.04 C ATOM 510 O ASP A 32 -5.503 -8.820 -9.281 1.00 13.39 O ATOM 511 CB ASP A 32 -3.422 -6.294 -9.849 1.00 18.01 C ATOM 512 CG ASP A 32 -3.081 -7.152 -11.011 1.00 24.33 C ATOM 513 OD1 ASP A 32 -3.396 -6.749 -12.164 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.346 -8.141 -10.856 1.00 26.29 O ATOM 0 H ASP A 32 -4.437 -4.709 -8.290 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.598 -6.424 -10.194 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.239 -5.253 -10.116 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.750 -6.535 -9.026 1.00 18.01 H new ATOM 519 N LYS A 33 -4.848 -7.864 -7.365 1.00 14.22 N ATOM 520 CA LYS A 33 -5.037 -9.127 -6.550 1.00 14.00 C ATOM 521 C LYS A 33 -6.361 -9.196 -5.831 1.00 12.37 C ATOM 522 O LYS A 33 -7.061 -10.174 -5.995 1.00 12.17 O ATOM 523 CB LYS A 33 -3.837 -9.106 -5.583 1.00 18.62 C ATOM 524 CG LYS A 33 -3.777 -10.410 -4.763 1.00 24.00 C ATOM 525 CD LYS A 33 -2.458 -10.522 -3.979 1.00 27.61 C ATOM 526 CE LYS A 33 -1.280 -10.931 -4.859 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.477 -12.214 -5.505 1.00 30.06 N ATOM 0 H LYS A 33 -4.470 -7.074 -6.842 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.065 -10.017 -7.179 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -2.912 -8.981 -6.146 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -3.919 -8.251 -4.911 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -4.618 -10.444 -4.070 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -3.879 -11.266 -5.430 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.238 -9.564 -3.508 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.578 -11.251 -3.178 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.119 -10.168 -5.620 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.376 -10.971 -4.252 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.561 -12.583 -5.831 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.898 -12.882 -4.829 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.113 -12.099 -6.319 1.00 30.06 H new ATOM 541 N GLU A 34 -6.745 -8.166 -5.078 1.00 10.11 N ATOM 542 CA GLU A 34 -8.007 -8.181 -4.333 1.00 10.07 C ATOM 543 C GLU A 34 -9.204 -7.533 -5.048 1.00 9.32 C ATOM 544 O GLU A 34 -10.332 -7.687 -4.567 1.00 11.61 O ATOM 545 CB GLU A 34 -7.821 -7.537 -2.950 1.00 14.77 C ATOM 546 CG GLU A 34 -6.862 -8.302 -2.015 1.00 18.75 C ATOM 547 CD GLU A 34 -7.319 -9.730 -1.696 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.280 -9.907 -0.891 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.814 -10.707 -2.279 1.00 25.19 O ATOM 0 H GLU A 34 -6.202 -7.310 -4.967 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.260 -9.237 -4.242 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.447 -6.522 -3.083 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.794 -7.457 -2.466 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.875 -8.340 -2.475 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.758 -7.747 -1.083 1.00 18.75 H new ATOM 556 N GLY A 35 -8.988 -6.746 -6.151 1.00 7.22 N ATOM 557 CA GLY A 35 -10.079 -6.033 -6.689 1.00 6.29 C ATOM 558 C GLY A 35 -10.608 -4.772 -6.017 1.00 6.93 C ATOM 559 O GLY A 35 -11.719 -4.393 -6.349 1.00 7.41 O ATOM 0 H GLY A 35 -8.095 -6.625 -6.629 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.809 -5.760 -7.709 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -10.913 -6.731 -6.756 1.00 6.29 H new ATOM 563 N ILE A 36 -9.863 -4.167 -5.115 1.00 5.86 N ATOM 564 CA ILE A 36 -10.217 -2.922 -4.476 1.00 6.07 C ATOM 565 C ILE A 36 -9.865 -1.676 -5.294 1.00 6.36 C ATOM 566 O ILE A 36 -8.699 -1.451 -5.553 1.00 6.18 O ATOM 567 CB ILE A 36 -9.491 -2.886 -3.126 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.740 -4.136 -2.236 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.080 -1.667 -2.411 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.801 -4.224 -0.998 1.00 9.49 C ATOM 0 H ILE A 36 -8.968 -4.541 -4.799 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.301 -2.893 -4.366 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.415 -2.853 -3.294 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.775 -4.127 -1.895 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.612 -5.033 -2.842 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.617 -1.562 -1.430 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.888 -0.771 -3.001 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.155 -1.799 -2.292 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.035 -5.122 -0.427 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.764 -4.266 -1.330 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.945 -3.346 -0.369 1.00 9.49 H new ATOM 582 N PRO A 37 -10.704 -0.809 -5.850 1.00 8.65 N ATOM 583 CA PRO A 37 -10.256 0.480 -6.414 1.00 9.18 C ATOM 584 C PRO A 37 -9.242 1.304 -5.589 1.00 9.85 C ATOM 585 O PRO A 37 -9.432 1.358 -4.377 1.00 8.51 O ATOM 586 CB PRO A 37 -11.522 1.238 -6.428 1.00 11.42 C ATOM 587 CG PRO A 37 -12.570 0.157 -6.788 1.00 9.27 C ATOM 588 CD PRO A 37 -12.124 -0.988 -5.870 1.00 8.33 C ATOM 0 HA PRO A 37 -9.733 0.300 -7.353 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.730 1.695 -5.461 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.503 2.042 -7.163 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.589 0.482 -6.578 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.534 -0.119 -7.842 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.561 -0.908 -4.874 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.408 -1.963 -6.265 1.00 8.33 H new ATOM 596 N PRO A 38 -8.222 1.977 -6.194 1.00 8.71 N ATOM 597 CA PRO A 38 -7.285 2.819 -5.436 1.00 9.08 C ATOM 598 C PRO A 38 -7.889 3.824 -4.492 1.00 9.28 C ATOM 599 O PRO A 38 -7.232 4.238 -3.574 1.00 6.50 O ATOM 600 CB PRO A 38 -6.500 3.492 -6.575 1.00 10.31 C ATOM 601 CG PRO A 38 -6.436 2.391 -7.720 1.00 10.81 C ATOM 602 CD PRO A 38 -7.743 1.677 -7.542 1.00 12.00 C ATOM 0 HA PRO A 38 -6.697 2.226 -4.736 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -7.000 4.396 -6.922 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.502 3.785 -6.250 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.347 2.837 -8.710 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.585 1.721 -7.595 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.466 2.006 -8.289 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.615 0.603 -7.674 1.00 12.00 H new ATOM 610 N ASP A 39 -9.129 4.317 -4.744 1.00 11.20 N ATOM 611 CA ASP A 39 -9.688 5.376 -3.872 1.00 14.96 C ATOM 612 C ASP A 39 -10.348 4.822 -2.646 1.00 13.99 C ATOM 613 O ASP A 39 -10.758 5.528 -1.735 1.00 13.75 O ATOM 614 CB ASP A 39 -10.807 6.064 -4.687 1.00 24.16 C ATOM 615 CG ASP A 39 -10.118 6.851 -5.764 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.746 6.299 -6.830 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.991 8.111 -5.643 1.00 35.55 O ATOM 0 H ASP A 39 -9.735 4.014 -5.507 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.876 6.036 -3.565 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.485 5.327 -5.117 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.407 6.716 -4.052 1.00 24.16 H new ATOM 622 N GLN A 40 -10.444 3.455 -2.582 1.00 11.60 N ATOM 623 CA GLN A 40 -10.924 2.719 -1.401 1.00 10.76 C ATOM 624 C GLN A 40 -9.741 2.034 -0.750 1.00 8.01 C ATOM 625 O GLN A 40 -9.916 0.987 -0.126 1.00 8.96 O ATOM 626 CB GLN A 40 -11.958 1.712 -1.806 1.00 11.14 C ATOM 627 CG GLN A 40 -13.186 2.451 -2.385 1.00 14.85 C ATOM 628 CD GLN A 40 -14.285 1.576 -2.926 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.012 0.590 -3.624 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.509 1.855 -2.383 1.00 18.16 N ATOM 0 H GLN A 40 -10.186 2.847 -3.359 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.385 3.407 -0.692 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.546 1.028 -2.548 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.253 1.110 -0.947 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.605 3.086 -1.605 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.846 3.110 -3.184 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.637 2.695 -1.819 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -16.293 1.223 -2.542 1.00 18.16 H new ATOM 639 N GLN A 41 -8.538 2.599 -0.915 1.00 6.52 N ATOM 640 CA GLN A 41 -7.346 2.117 -0.251 1.00 3.87 C ATOM 641 C GLN A 41 -6.630 3.309 0.349 1.00 4.79 C ATOM 642 O GLN A 41 -6.539 4.344 -0.316 1.00 6.34 O ATOM 643 CB GLN A 41 -6.372 1.498 -1.328 1.00 4.20 C ATOM 644 CG GLN A 41 -6.920 0.262 -2.121 1.00 3.20 C ATOM 645 CD GLN A 41 -5.859 -0.203 -3.105 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.694 -0.048 -2.908 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.316 -0.696 -4.238 1.00 7.13 N ATOM 0 H GLN A 41 -8.376 3.406 -1.518 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.616 1.379 0.504 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.112 2.278 -2.044 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.449 1.204 -0.828 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.175 -0.544 -1.433 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.834 0.530 -2.651 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.320 -0.816 -4.374 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.666 -0.958 -4.979 1.00 7.13 H new ATOM 656 N ARG A 42 -6.063 3.109 1.514 1.00 5.73 N ATOM 657 CA ARG A 42 -5.384 4.057 2.246 1.00 6.97 C ATOM 658 C ARG A 42 -4.426 3.243 3.075 1.00 7.15 C ATOM 659 O ARG A 42 -4.771 2.369 3.794 1.00 7.33 O ATOM 660 CB ARG A 42 -6.226 4.937 3.154 1.00 13.23 C ATOM 661 CG ARG A 42 -5.462 5.814 4.121 1.00 21.27 C ATOM 662 CD ARG A 42 -6.339 6.467 5.192 1.00 26.14 C ATOM 663 NE ARG A 42 -7.199 7.455 4.442 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.884 8.504 4.933 1.00 34.32 C ATOM 665 NH1 ARG A 42 -7.942 8.739 6.243 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.363 9.348 4.024 1.00 36.39 N ATOM 0 H ARG A 42 -6.087 2.200 1.977 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.929 4.776 1.564 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.851 5.576 2.530 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.897 4.297 3.727 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.694 5.215 4.610 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -4.949 6.595 3.560 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.948 5.726 5.709 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.733 6.965 5.949 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.270 7.309 3.435 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.462 8.118 6.894 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.467 9.540 6.595 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.200 9.176 3.032 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.893 10.168 4.319 1.00 36.39 H new ATOM 680 N LEU A 43 -3.108 3.516 3.012 1.00 4.65 N ATOM 681 CA LEU A 43 -2.002 2.627 3.443 1.00 3.51 C ATOM 682 C LEU A 43 -1.256 3.395 4.526 1.00 5.56 C ATOM 683 O LEU A 43 -1.026 4.586 4.443 1.00 4.19 O ATOM 684 CB LEU A 43 -0.964 2.358 2.320 1.00 3.74 C ATOM 685 CG LEU A 43 -1.309 1.344 1.223 1.00 6.32 C ATOM 686 CD1 LEU A 43 -2.137 1.937 0.088 1.00 9.55 C ATOM 687 CD2 LEU A 43 0.005 0.931 0.578 1.00 6.41 C ATOM 0 H LEU A 43 -2.765 4.403 2.643 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.425 1.672 3.754 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.749 3.310 1.834 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.041 2.028 2.796 1.00 3.74 H new ATOM 0 HG LEU A 43 -1.874 0.538 1.692 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -2.345 1.165 -0.653 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -3.077 2.321 0.485 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -1.582 2.750 -0.381 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -0.190 0.207 -0.213 1.00 6.41 H new ATOM 0 HD22 LEU A 43 0.494 1.808 0.154 1.00 6.41 H new ATOM 0 HD23 LEU A 43 0.654 0.482 1.330 1.00 6.41 H new ATOM 699 N ILE A 44 -0.850 2.658 5.617 1.00 4.58 N ATOM 700 CA ILE A 44 -0.159 3.239 6.790 1.00 5.55 C ATOM 701 C ILE A 44 1.134 2.520 7.027 1.00 5.46 C ATOM 702 O ILE A 44 1.192 1.338 7.099 1.00 6.04 O ATOM 703 CB ILE A 44 -0.875 3.454 8.139 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.417 3.828 7.847 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.221 4.489 9.129 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.662 5.239 7.387 1.00 13.90 C ATOM 0 H ILE A 44 -0.999 1.652 5.692 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.063 4.271 6.452 1.00 5.55 H new ATOM 0 HB ILE A 44 -0.779 2.510 8.676 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.802 3.145 7.090 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.994 3.655 8.756 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.818 4.549 10.039 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.789 4.165 9.379 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.181 5.470 8.656 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.729 5.387 7.219 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.315 5.936 8.150 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.120 5.418 6.458 1.00 13.90 H new ATOM 718 N PHE A 45 2.270 3.278 7.137 1.00 6.75 N ATOM 719 CA PHE A 45 3.554 2.696 7.409 1.00 4.70 C ATOM 720 C PHE A 45 4.351 3.626 8.228 1.00 6.34 C ATOM 721 O PHE A 45 4.449 4.783 7.908 1.00 5.45 O ATOM 722 CB PHE A 45 4.372 2.205 6.185 1.00 5.51 C ATOM 723 CG PHE A 45 5.705 1.594 6.472 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.888 0.292 6.986 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.836 2.377 6.338 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.122 -0.212 7.283 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.108 1.983 6.795 1.00 6.64 C ATOM 728 CZ PHE A 45 8.239 0.675 7.264 1.00 6.84 C ATOM 0 H PHE A 45 2.285 4.293 7.035 1.00 6.75 H new ATOM 0 HA PHE A 45 3.332 1.775 7.949 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.771 1.473 5.645 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.522 3.051 5.514 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.020 -0.329 7.151 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.739 3.340 5.858 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.249 -1.257 7.526 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.946 2.664 6.783 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.199 0.330 7.617 1.00 6.84 H new ATOM 738 N ALA A 46 4.972 3.128 9.289 1.00 6.53 N ATOM 739 CA ALA A 46 5.780 3.855 10.255 1.00 7.15 C ATOM 740 C ALA A 46 5.001 4.963 11.024 1.00 9.00 C ATOM 741 O ALA A 46 5.565 5.860 11.688 1.00 11.15 O ATOM 742 CB ALA A 46 7.042 4.464 9.656 1.00 8.99 C ATOM 0 H ALA A 46 4.919 2.134 9.512 1.00 6.53 H new ATOM 0 HA ALA A 46 6.068 3.082 10.968 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.596 4.991 10.433 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.665 3.673 9.239 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.769 5.164 8.867 1.00 8.99 H new ATOM 748 N GLY A 47 3.701 4.932 10.833 1.00 9.35 N ATOM 749 CA GLY A 47 2.769 5.846 11.402 1.00 11.68 C ATOM 750 C GLY A 47 2.322 6.934 10.469 1.00 11.14 C ATOM 751 O GLY A 47 1.402 7.728 10.786 1.00 13.93 O ATOM 0 H GLY A 47 3.255 4.228 10.245 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.894 5.291 11.740 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.218 6.302 12.285 1.00 11.68 H new ATOM 755 N LYS A 48 2.948 6.978 9.298 1.00 10.47 N ATOM 756 CA LYS A 48 2.640 7.909 8.200 1.00 8.82 C ATOM 757 C LYS A 48 1.719 7.361 7.167 1.00 7.68 C ATOM 758 O LYS A 48 1.760 6.238 6.679 1.00 6.47 O ATOM 759 CB LYS A 48 3.909 8.311 7.411 1.00 9.74 C ATOM 760 CG LYS A 48 4.857 9.161 8.313 1.00 14.14 C ATOM 761 CD LYS A 48 6.210 9.493 7.524 1.00 16.32 C ATOM 762 CE LYS A 48 7.165 10.314 8.221 1.00 20.04 C ATOM 763 NZ LYS A 48 8.416 10.503 7.353 1.00 23.92 N ATOM 0 H LYS A 48 3.715 6.345 9.071 1.00 10.47 H new ATOM 0 HA LYS A 48 2.175 8.748 8.719 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.429 7.418 7.064 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.630 8.881 6.525 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.361 10.086 8.606 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.085 8.617 9.230 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.694 8.552 7.261 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.949 9.989 6.589 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.724 11.283 8.455 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.435 9.849 9.169 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 9.104 11.096 7.860 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.842 9.576 7.151 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.152 10.965 6.459 1.00 23.92 H new ATOM 777 N GLN A 49 0.776 8.129 6.696 1.00 8.89 N ATOM 778 CA GLN A 49 -0.083 7.842 5.571 1.00 7.18 C ATOM 779 C GLN A 49 0.552 8.088 4.153 1.00 8.23 C ATOM 780 O GLN A 49 1.296 9.063 4.018 1.00 9.70 O ATOM 781 CB GLN A 49 -1.299 8.769 5.699 1.00 11.67 C ATOM 782 CG GLN A 49 -2.519 8.218 4.900 1.00 15.82 C ATOM 783 CD GLN A 49 -3.528 9.296 4.739 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.330 9.524 5.659 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.453 10.047 3.596 1.00 20.67 N ATOM 0 H GLN A 49 0.570 9.036 7.115 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.312 6.777 5.614 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.568 8.876 6.750 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.041 9.763 5.333 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.196 7.858 3.923 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.958 7.369 5.424 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.772 9.810 2.874 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.078 10.843 3.467 1.00 20.67 H new ATOM 794 N LEU A 50 0.496 7.203 3.112 1.00 6.51 N ATOM 795 CA LEU A 50 1.559 7.068 2.185 1.00 7.41 C ATOM 796 C LEU A 50 1.196 7.762 0.889 1.00 8.27 C ATOM 797 O LEU A 50 0.276 7.399 0.173 1.00 8.34 O ATOM 798 CB LEU A 50 2.095 5.641 1.922 1.00 7.13 C ATOM 799 CG LEU A 50 2.479 4.919 3.227 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.999 3.476 2.919 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.620 5.596 4.100 1.00 9.11 C ATOM 0 H LEU A 50 -0.298 6.589 2.931 1.00 6.51 H new ATOM 0 HA LEU A 50 2.404 7.553 2.673 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.337 5.060 1.396 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.965 5.696 1.268 1.00 7.13 H new ATOM 0 HG LEU A 50 1.552 4.951 3.799 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.266 2.979 3.851 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.217 2.907 2.416 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.876 3.535 2.275 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.801 4.996 4.992 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.537 5.660 3.514 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.307 6.598 4.395 1.00 9.11 H new ATOM 813 N GLU A 51 1.867 8.851 0.489 1.00 9.43 N ATOM 814 CA GLU A 51 1.582 9.570 -0.691 1.00 11.90 C ATOM 815 C GLU A 51 1.732 8.921 -2.024 1.00 11.49 C ATOM 816 O GLU A 51 2.647 8.197 -2.300 1.00 9.88 O ATOM 817 CB GLU A 51 2.371 10.903 -0.668 1.00 16.56 C ATOM 818 CG GLU A 51 1.644 11.848 0.347 1.00 26.06 C ATOM 819 CD GLU A 51 2.230 13.242 0.374 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.436 13.324 0.763 1.00 32.13 O ATOM 821 OE2 GLU A 51 1.583 14.249 -0.070 1.00 33.44 O ATOM 0 H GLU A 51 2.645 9.243 1.020 1.00 9.43 H new ATOM 0 HA GLU A 51 0.499 9.683 -0.633 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.404 10.734 -0.365 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.399 11.352 -1.661 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.587 11.908 0.087 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.703 11.415 1.346 1.00 26.06 H new ATOM 828 N ASP A 52 0.808 9.206 -2.958 1.00 12.71 N ATOM 829 CA ASP A 52 0.691 8.399 -4.148 1.00 16.56 C ATOM 830 C ASP A 52 1.914 8.389 -5.073 1.00 15.83 C ATOM 831 O ASP A 52 2.404 7.349 -5.519 1.00 17.21 O ATOM 832 CB ASP A 52 -0.569 8.754 -4.933 1.00 21.05 C ATOM 833 CG ASP A 52 -1.752 8.572 -3.987 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.001 9.408 -3.071 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.494 7.564 -4.161 1.00 25.82 O ATOM 0 H ASP A 52 0.148 9.981 -2.899 1.00 12.71 H new ATOM 0 HA ASP A 52 0.622 7.380 -3.768 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.520 9.781 -5.296 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.672 8.111 -5.807 1.00 21.05 H new ATOM 840 N GLY A 53 2.351 9.629 -5.270 1.00 15.00 N ATOM 841 CA GLY A 53 3.510 9.937 -6.145 1.00 11.77 C ATOM 842 C GLY A 53 4.876 9.763 -5.506 1.00 11.10 C ATOM 843 O GLY A 53 5.799 10.416 -5.936 1.00 11.25 O ATOM 0 H GLY A 53 1.927 10.450 -4.839 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.457 9.299 -7.027 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.418 10.967 -6.491 1.00 11.77 H new ATOM 847 N ARG A 54 4.959 8.866 -4.470 1.00 8.53 N ATOM 848 CA ARG A 54 6.203 8.578 -3.785 1.00 9.05 C ATOM 849 C ARG A 54 6.442 7.053 -3.701 1.00 8.96 C ATOM 850 O ARG A 54 5.530 6.242 -3.790 1.00 11.60 O ATOM 851 CB ARG A 54 6.189 9.186 -2.365 1.00 7.97 C ATOM 852 CG ARG A 54 5.809 10.663 -2.373 1.00 9.62 C ATOM 853 CD ARG A 54 6.100 11.372 -1.023 1.00 12.20 C ATOM 854 NE ARG A 54 5.551 12.745 -1.059 1.00 18.23 N ATOM 855 CZ ARG A 54 6.305 13.767 -1.398 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.600 13.610 -1.855 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.844 15.004 -1.296 1.00 23.38 N ATOM 0 H ARG A 54 4.159 8.344 -4.113 1.00 8.53 H new ATOM 0 HA ARG A 54 7.016 9.027 -4.356 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.484 8.635 -1.743 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.173 9.069 -1.912 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.357 11.169 -3.168 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.748 10.758 -2.606 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.653 10.812 -0.202 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.174 11.403 -0.840 1.00 12.20 H new ATOM 0 HE ARG A 54 4.572 12.901 -0.817 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.002 12.676 -1.939 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.154 14.428 -2.109 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.898 15.169 -0.952 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.435 15.792 -1.561 1.00 23.38 H new ATOM 871 N THR A 55 7.716 6.643 -3.492 1.00 9.05 N ATOM 872 CA THR A 55 8.229 5.307 -3.686 1.00 9.03 C ATOM 873 C THR A 55 8.410 4.647 -2.332 1.00 8.15 C ATOM 874 O THR A 55 8.530 5.292 -1.271 1.00 5.91 O ATOM 875 CB THR A 55 9.545 5.194 -4.494 1.00 11.15 C ATOM 876 OG1 THR A 55 10.597 5.922 -3.850 1.00 11.95 O ATOM 877 CG2 THR A 55 9.419 5.888 -5.805 1.00 11.71 C ATOM 0 H THR A 55 8.436 7.287 -3.166 1.00 9.05 H new ATOM 0 HA THR A 55 7.484 4.801 -4.299 1.00 9.03 H new ATOM 0 HB THR A 55 9.749 4.127 -4.587 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.436 6.884 -3.947 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.355 5.796 -6.357 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.612 5.434 -6.381 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.198 6.942 -5.639 1.00 11.71 H new ATOM 885 N LEU A 56 8.528 3.303 -2.356 1.00 6.91 N ATOM 886 CA LEU A 56 8.813 2.408 -1.266 1.00 8.29 C ATOM 887 C LEU A 56 10.193 2.792 -0.640 1.00 8.05 C ATOM 888 O LEU A 56 10.318 2.830 0.581 1.00 10.17 O ATOM 889 CB LEU A 56 8.716 1.069 -1.899 1.00 6.60 C ATOM 890 CG LEU A 56 7.242 0.676 -2.391 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.437 -0.383 -3.467 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.365 0.166 -1.239 1.00 8.64 C ATOM 0 H LEU A 56 8.411 2.791 -3.230 1.00 6.91 H new ATOM 0 HA LEU A 56 8.137 2.446 -0.411 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.393 1.034 -2.753 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.061 0.318 -1.188 1.00 6.60 H new ATOM 0 HG LEU A 56 6.713 1.546 -2.781 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.465 -0.698 -3.848 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.030 0.032 -4.282 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.955 -1.242 -3.042 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.376 -0.088 -1.620 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.823 -0.720 -0.798 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.273 0.943 -0.480 1.00 8.64 H new ATOM 904 N SER A 57 11.233 3.156 -1.442 1.00 8.92 N ATOM 905 CA SER A 57 12.498 3.645 -0.892 1.00 9.00 C ATOM 906 C SER A 57 12.483 5.041 -0.279 1.00 9.44 C ATOM 907 O SER A 57 13.273 5.355 0.603 1.00 10.91 O ATOM 908 CB SER A 57 13.695 3.491 -1.840 1.00 10.32 C ATOM 909 OG SER A 57 13.362 4.152 -3.043 1.00 13.59 O ATOM 0 H SER A 57 11.206 3.115 -2.461 1.00 8.92 H new ATOM 0 HA SER A 57 12.632 2.962 -0.053 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.593 3.923 -1.399 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.906 2.438 -2.025 1.00 10.32 H new ATOM 0 HG SER A 57 14.107 4.076 -3.675 1.00 13.59 H new ATOM 915 N ASP A 58 11.530 5.911 -0.608 1.00 9.11 N ATOM 916 CA ASP A 58 11.299 7.208 0.062 1.00 7.91 C ATOM 917 C ASP A 58 10.926 7.087 1.512 1.00 9.12 C ATOM 918 O ASP A 58 11.508 7.727 2.375 1.00 8.61 O ATOM 919 CB ASP A 58 10.289 8.098 -0.705 1.00 8.41 C ATOM 920 CG ASP A 58 10.675 8.500 -2.145 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.845 8.911 -2.346 1.00 11.70 O ATOM 922 OD2 ASP A 58 9.890 8.371 -3.114 1.00 10.05 O ATOM 0 H ASP A 58 10.873 5.736 -1.369 1.00 9.11 H new ATOM 0 HA ASP A 58 12.268 7.708 0.040 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.334 7.575 -0.742 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.131 9.009 -0.128 1.00 8.41 H new ATOM 927 N TYR A 59 10.028 6.097 1.833 1.00 7.97 N ATOM 928 CA TYR A 59 9.657 5.865 3.176 1.00 8.45 C ATOM 929 C TYR A 59 10.602 4.840 3.871 1.00 10.98 C ATOM 930 O TYR A 59 10.395 4.471 5.030 1.00 12.95 O ATOM 931 CB TYR A 59 8.244 5.272 3.210 1.00 7.94 C ATOM 932 CG TYR A 59 7.280 6.340 2.821 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.952 7.321 3.806 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.609 6.364 1.588 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.987 8.339 3.500 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.669 7.396 1.307 1.00 6.52 C ATOM 937 CZ TYR A 59 5.417 8.410 2.236 1.00 6.76 C ATOM 938 OH TYR A 59 4.395 9.323 1.998 1.00 7.63 O ATOM 0 H TYR A 59 9.581 5.482 1.153 1.00 7.97 H new ATOM 0 HA TYR A 59 9.714 6.820 3.699 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.170 4.426 2.526 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.013 4.897 4.207 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.427 7.297 4.776 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.806 5.599 0.852 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.703 9.054 4.258 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.144 7.395 0.363 1.00 6.52 H new ATOM 0 HH TYR A 59 4.779 10.173 1.697 1.00 7.63 H new ATOM 948 N ASN A 60 11.672 4.383 3.120 1.00 12.38 N ATOM 949 CA ASN A 60 12.667 3.445 3.562 1.00 13.94 C ATOM 950 C ASN A 60 12.078 2.116 3.939 1.00 14.16 C ATOM 951 O ASN A 60 12.368 1.558 4.969 1.00 14.26 O ATOM 952 CB ASN A 60 13.577 4.111 4.610 1.00 19.23 C ATOM 953 CG ASN A 60 14.732 3.302 5.199 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.710 3.085 6.397 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.699 2.882 4.395 1.00 24.09 N ATOM 0 H ASN A 60 11.830 4.696 2.162 1.00 12.38 H new ATOM 0 HA ASN A 60 13.323 3.179 2.733 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.999 5.009 4.159 1.00 19.23 H new ATOM 0 HB3 ASN A 60 12.946 4.436 5.437 1.00 19.23 H new ATOM 0 HD21 ASN A 60 16.480 2.346 4.773 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.662 3.095 3.398 1.00 24.09 H new ATOM 962 N ILE A 61 11.135 1.568 3.034 1.00 11.08 N ATOM 963 CA ILE A 61 10.586 0.241 3.186 1.00 11.78 C ATOM 964 C ILE A 61 11.699 -0.582 2.622 1.00 13.74 C ATOM 965 O ILE A 61 12.388 -0.316 1.647 1.00 14.60 O ATOM 966 CB ILE A 61 9.253 0.159 2.420 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.154 0.891 3.247 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.859 -1.332 2.072 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.005 1.161 2.311 1.00 11.42 C ATOM 0 H ILE A 61 10.782 2.070 2.219 1.00 11.08 H new ATOM 0 HA ILE A 61 10.320 -0.082 4.192 1.00 11.78 H new ATOM 0 HB ILE A 61 9.359 0.659 1.457 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.831 0.277 4.087 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.540 1.822 3.662 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.912 -1.342 1.532 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.636 -1.778 1.451 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.757 -1.906 2.993 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.209 1.675 2.850 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.347 1.786 1.486 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.626 0.217 1.918 1.00 11.42 H new ATOM 981 N GLN A 62 11.894 -1.733 3.278 1.00 13.97 N ATOM 982 CA GLN A 62 12.855 -2.774 2.821 1.00 15.52 C ATOM 983 C GLN A 62 12.069 -4.045 2.552 1.00 13.94 C ATOM 984 O GLN A 62 10.853 -4.102 2.767 1.00 12.15 O ATOM 985 CB GLN A 62 13.901 -3.080 3.905 1.00 19.53 C ATOM 986 CG GLN A 62 14.894 -1.894 3.946 1.00 26.38 C ATOM 987 CD GLN A 62 16.047 -2.294 4.880 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.060 -3.148 5.787 1.00 33.23 O ATOM 989 NE2 GLN A 62 17.199 -1.679 4.543 1.00 32.71 N ATOM 0 H GLN A 62 11.399 -1.978 4.136 1.00 13.97 H new ATOM 0 HA GLN A 62 13.370 -2.415 1.930 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.420 -3.211 4.875 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.424 -4.010 3.681 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.269 -1.672 2.947 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.401 -0.992 4.309 1.00 26.38 H new ATOM 0 HE21 GLN A 62 17.205 -0.978 3.803 1.00 32.71 H new ATOM 0 HE22 GLN A 62 18.064 -1.915 5.029 1.00 32.71 H new ATOM 998 N LYS A 63 12.796 -5.074 2.087 1.00 11.73 N ATOM 999 CA LYS A 63 12.158 -6.346 1.718 1.00 11.97 C ATOM 1000 C LYS A 63 11.491 -7.014 2.939 1.00 10.41 C ATOM 1001 O LYS A 63 11.909 -6.897 4.089 1.00 9.59 O ATOM 1002 CB LYS A 63 13.174 -7.228 1.021 1.00 13.73 C ATOM 1003 CG LYS A 63 14.372 -7.553 1.911 1.00 16.98 C ATOM 1004 CD LYS A 63 15.406 -8.548 1.355 1.00 20.19 C ATOM 1005 CE LYS A 63 15.000 -10.039 1.356 1.00 23.42 C ATOM 1006 NZ LYS A 63 14.629 -10.644 2.657 1.00 25.97 N ATOM 0 H LYS A 63 13.808 -5.051 1.960 1.00 11.73 H new ATOM 0 HA LYS A 63 11.345 -6.165 1.014 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.693 -8.156 0.711 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.522 -6.731 0.116 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.888 -6.620 2.139 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.996 -7.948 2.855 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.640 -8.259 0.330 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.324 -8.444 1.933 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.157 -10.159 0.676 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.828 -10.614 0.941 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 15.191 -11.505 2.812 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 14.818 -9.965 3.422 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 13.618 -10.887 2.651 1.00 25.97 H new ATOM 1020 N GLU A 64 10.295 -7.671 2.655 1.00 10.04 N ATOM 1021 CA GLU A 64 9.503 -8.370 3.602 1.00 10.94 C ATOM 1022 C GLU A 64 8.987 -7.529 4.707 1.00 9.74 C ATOM 1023 O GLU A 64 9.048 -7.937 5.849 1.00 9.42 O ATOM 1024 CB GLU A 64 10.172 -9.628 4.091 1.00 18.31 C ATOM 1025 CG GLU A 64 10.311 -10.687 2.949 1.00 24.16 C ATOM 1026 CD GLU A 64 11.324 -11.715 3.370 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.229 -12.300 4.479 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.306 -12.024 2.649 1.00 32.61 O ATOM 0 H GLU A 64 9.898 -7.693 1.716 1.00 10.04 H new ATOM 0 HA GLU A 64 8.613 -8.677 3.053 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.159 -9.386 4.486 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.595 -10.052 4.913 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.349 -11.161 2.754 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.623 -10.205 2.022 1.00 24.16 H new ATOM 1035 N SER A 65 8.442 -6.369 4.380 1.00 6.85 N ATOM 1036 CA SER A 65 7.928 -5.406 5.349 1.00 6.90 C ATOM 1037 C SER A 65 6.415 -5.185 5.287 1.00 4.72 C ATOM 1038 O SER A 65 5.778 -5.432 4.254 1.00 3.91 O ATOM 1039 CB SER A 65 8.497 -3.994 5.174 1.00 7.28 C ATOM 1040 OG SER A 65 8.445 -3.300 6.486 1.00 10.56 O ATOM 0 H SER A 65 8.341 -6.061 3.413 1.00 6.85 H new ATOM 0 HA SER A 65 8.232 -5.871 6.287 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.524 -4.041 4.811 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.921 -3.443 4.431 1.00 7.28 H new ATOM 0 HG SER A 65 8.807 -2.394 6.392 1.00 10.56 H new ATOM 1046 N THR A 66 5.778 -4.896 6.438 1.00 4.48 N ATOM 1047 CA THR A 66 4.359 -4.996 6.649 1.00 3.80 C ATOM 1048 C THR A 66 3.796 -3.624 6.653 1.00 4.60 C ATOM 1049 O THR A 66 4.127 -2.842 7.560 1.00 5.33 O ATOM 1050 CB THR A 66 3.997 -5.705 7.941 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.375 -7.083 7.769 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.463 -5.745 8.230 1.00 3.40 C ATOM 0 H THR A 66 6.277 -4.575 7.268 1.00 4.48 H new ATOM 0 HA THR A 66 3.939 -5.597 5.843 1.00 3.80 H new ATOM 0 HB THR A 66 4.494 -5.173 8.752 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.161 -7.585 8.583 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.283 -6.267 9.170 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.080 -4.727 8.302 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.954 -6.268 7.421 1.00 3.40 H new ATOM 1060 N LEU A 67 2.977 -3.276 5.646 1.00 4.17 N ATOM 1061 CA LEU A 67 2.264 -2.007 5.471 1.00 3.85 C ATOM 1062 C LEU A 67 0.812 -2.288 5.809 1.00 3.80 C ATOM 1063 O LEU A 67 0.189 -3.252 5.284 1.00 5.54 O ATOM 1064 CB LEU A 67 2.351 -1.490 3.982 1.00 7.18 C ATOM 1065 CG LEU A 67 3.712 -1.570 3.235 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.562 -1.006 1.786 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.948 -1.018 3.890 1.00 11.66 C ATOM 0 H LEU A 67 2.785 -3.922 4.881 1.00 4.17 H new ATOM 0 HA LEU A 67 2.705 -1.240 6.108 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.621 -2.049 3.396 1.00 7.18 H new ATOM 0 HB3 LEU A 67 2.033 -0.447 3.977 1.00 7.18 H new ATOM 0 HG LEU A 67 3.917 -2.640 3.251 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.521 -1.066 1.271 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.821 -1.592 1.243 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.240 0.034 1.832 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.803 -1.158 3.229 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.812 0.045 4.087 1.00 11.66 H new ATOM 0 HD23 LEU A 67 5.126 -1.541 4.830 1.00 11.66 H new ATOM 1079 N HIS A 68 0.213 -1.393 6.594 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.187 -1.569 7.133 1.00 4.17 C ATOM 1081 C HIS A 68 -2.210 -0.933 6.226 1.00 5.32 C ATOM 1082 O HIS A 68 -1.967 0.107 5.604 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.194 -0.906 8.593 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.049 -1.379 9.471 1.00 9.95 C ATOM 1085 ND1 HIS A 68 1.157 -0.790 9.501 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.054 -2.444 10.278 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.987 -1.580 10.269 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.284 -2.573 10.813 1.00 16.30 N ATOM 0 H HIS A 68 0.658 -0.523 6.888 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.457 -2.624 7.186 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.142 0.178 8.493 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.139 -1.136 9.085 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.413 0.083 9.040 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -0.760 -3.125 10.478 1.00 12.79 H new ATOM 0 HE1 HIS A 68 3.046 -1.418 10.408 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.384 -1.617 5.987 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.316 -1.217 4.939 1.00 3.97 C ATOM 1098 C LEU A 69 -5.684 -0.917 5.444 1.00 5.07 C ATOM 1099 O LEU A 69 -6.340 -1.731 6.064 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.390 -2.395 3.884 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.123 -2.113 2.591 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -4.530 -0.954 1.767 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.269 -3.327 1.719 1.00 9.96 C ATOM 0 H LEU A 69 -3.679 -2.437 6.517 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.946 -0.292 4.496 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.371 -2.694 3.638 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.866 -3.250 4.364 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.113 -1.802 2.925 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.114 -0.819 0.857 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.558 -0.037 2.356 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -3.498 -1.185 1.504 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -5.803 -3.058 0.808 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.282 -3.711 1.461 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.828 -4.094 2.254 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.111 0.304 5.167 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.313 0.917 5.557 1.00 6.26 C ATOM 1117 C VAL A 70 -8.239 1.202 4.349 1.00 9.22 C ATOM 1118 O VAL A 70 -7.819 1.698 3.326 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.057 2.230 6.247 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.329 2.889 6.693 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.146 2.036 7.496 1.00 8.54 C ATOM 0 H VAL A 70 -5.543 0.934 4.601 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.798 0.215 6.236 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.562 2.868 5.515 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.096 3.833 7.186 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.964 3.078 5.827 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.852 2.235 7.391 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.977 3.000 7.976 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.632 1.361 8.200 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.191 1.612 7.187 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.528 0.794 4.468 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.410 0.549 3.305 1.00 16.06 C ATOM 1133 C LEU A 71 -11.802 1.156 3.589 1.00 18.09 C ATOM 1134 O LEU A 71 -12.401 0.897 4.593 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.662 -0.903 2.865 1.00 17.10 C ATOM 1136 CG LEU A 71 -9.432 -1.773 2.630 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -9.839 -3.262 2.583 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -8.592 -1.278 1.522 1.00 19.57 C ATOM 0 H LEU A 71 -9.980 0.627 5.367 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.851 1.009 2.490 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.280 -1.385 3.623 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.245 -0.883 1.944 1.00 17.10 H new ATOM 0 HG LEU A 71 -8.753 -1.694 3.479 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -8.954 -3.876 2.415 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -10.301 -3.543 3.529 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -10.550 -3.420 1.772 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -7.730 -1.934 1.398 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.175 -1.266 0.601 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.250 -0.268 1.748 1.00 19.57 H new