USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 580 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 40 ASN : amide:sc= -0.167 K(o=0.78,f=-0.8) USER MOD Set 1.2: A 45 THR OG1 : rot 48:sc= 0.942 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -121:sc= 1.24 (180deg=0.362) USER MOD Single : A 3 SER OG : rot -64:sc= 1.26 USER MOD Single : A 5 GLN : amide:sc= -0.884 K(o=-0.88,f=-2.7!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl -171:sc= 0 (180deg=-0.0761) USER MOD Single : A 11 GLN : amide:sc= 1.25 K(o=1.3,f=-0.19) USER MOD Single : A 13 SER OG : rot 8:sc= 0.535 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0243 USER MOD Single : A 26 LYS NZ :NH3+ -146:sc= 1.14 (180deg=0.814) USER MOD Single : A 29 LYS NZ :NH3+ -145:sc= 0.993 (180deg=-0.0196!) USER MOD Single : A 31 MET CE :methyl -156:sc= 0 (180deg=-0.191) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.225 X(o=-0.23,f=-0.19) USER MOD Single : A 43 THR OG1 : rot -49:sc= 0.74 USER MOD Single : A 47 ASN : amide:sc= 0.683 K(o=0.68,f=-0.0029) USER MOD Single : A 50 TYR OH : rot 180:sc= -0.0153 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.00537 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.0726 USER MOD Single : A 61 GLN : amide:sc=-0.00383 X(o=-0.0038,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot -54:sc= -0.0346 USER MOD Single : A 70 HIS : no HE2:sc= 0.955 K(o=0.96,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.215 17.153 13.261 1.00 6.48 N ATOM 2 CA MET A 1 2.894 17.539 14.646 1.00 5.00 C ATOM 3 C MET A 1 1.627 16.814 15.099 1.00 3.12 C ATOM 4 O MET A 1 1.732 15.726 15.649 1.00 3.77 O ATOM 5 CB MET A 1 2.780 19.063 14.814 1.00 5.55 C ATOM 6 CG MET A 1 4.145 19.753 14.913 1.00 7.28 C ATOM 7 SD MET A 1 4.032 21.524 15.274 1.00 8.45 S ATOM 8 CE MET A 1 5.777 21.912 15.534 1.00 10.14 C ATOM 0 H1 MET A 1 4.163 16.726 13.230 1.00 6.48 H new ATOM 0 H2 MET A 1 2.514 16.464 12.921 1.00 6.48 H new ATOM 0 H3 MET A 1 3.196 17.996 12.652 1.00 6.48 H new ATOM 0 HA MET A 1 3.719 17.232 15.289 1.00 5.00 H new ATOM 0 HB2 MET A 1 2.229 19.477 13.969 1.00 5.55 H new ATOM 0 HB3 MET A 1 2.201 19.283 15.711 1.00 5.55 H new ATOM 0 HG2 MET A 1 4.733 19.268 15.692 1.00 7.28 H new ATOM 0 HG3 MET A 1 4.683 19.615 13.975 1.00 7.28 H new ATOM 0 HE1 MET A 1 5.883 22.971 15.768 1.00 10.14 H new ATOM 0 HE2 MET A 1 6.163 21.317 16.362 1.00 10.14 H new ATOM 0 HE3 MET A 1 6.340 21.682 14.629 1.00 10.14 H new ATOM 20 N LEU A 2 0.447 17.385 14.829 1.00 1.84 N ATOM 21 CA LEU A 2 -0.833 16.756 15.156 1.00 1.40 C ATOM 22 C LEU A 2 -0.916 15.329 14.599 1.00 1.51 C ATOM 23 O LEU A 2 -1.425 14.434 15.267 1.00 2.54 O ATOM 24 CB LEU A 2 -1.994 17.658 14.704 1.00 3.02 C ATOM 25 CG LEU A 2 -2.054 17.925 13.186 1.00 3.81 C ATOM 26 CD1 LEU A 2 -3.091 17.020 12.507 1.00 5.69 C ATOM 27 CD2 LEU A 2 -2.425 19.390 12.924 1.00 4.94 C ATOM 0 H LEU A 2 0.355 18.295 14.378 1.00 1.84 H new ATOM 0 HA LEU A 2 -0.914 16.650 16.238 1.00 1.40 H new ATOM 0 HB2 LEU A 2 -2.933 17.201 15.015 1.00 3.02 H new ATOM 0 HB3 LEU A 2 -1.917 18.613 15.224 1.00 3.02 H new ATOM 0 HG LEU A 2 -1.070 17.709 12.770 1.00 3.81 H new ATOM 0 HD11 LEU A 2 -3.112 17.230 11.438 1.00 5.69 H new ATOM 0 HD12 LEU A 2 -2.823 15.976 12.667 1.00 5.69 H new ATOM 0 HD13 LEU A 2 -4.076 17.211 12.934 1.00 5.69 H new ATOM 0 HD21 LEU A 2 -2.465 19.569 11.849 1.00 4.94 H new ATOM 0 HD22 LEU A 2 -3.399 19.603 13.364 1.00 4.94 H new ATOM 0 HD23 LEU A 2 -1.675 20.041 13.372 1.00 4.94 H new ATOM 39 N SER A 3 -0.346 15.134 13.407 1.00 0.72 N ATOM 40 CA SER A 3 0.007 13.851 12.839 1.00 0.63 C ATOM 41 C SER A 3 1.528 13.804 12.756 1.00 0.76 C ATOM 42 O SER A 3 2.164 14.841 12.525 1.00 1.30 O ATOM 43 CB SER A 3 -0.592 13.747 11.432 1.00 0.68 C ATOM 44 OG SER A 3 -1.977 13.514 11.534 1.00 1.19 O ATOM 0 H SER A 3 -0.111 15.911 12.790 1.00 0.72 H new ATOM 0 HA SER A 3 -0.372 13.028 13.445 1.00 0.63 H new ATOM 0 HB2 SER A 3 -0.406 14.666 10.876 1.00 0.68 H new ATOM 0 HB3 SER A 3 -0.115 12.938 10.880 1.00 0.68 H new ATOM 0 HG SER A 3 -2.132 12.649 11.968 1.00 1.19 H new ATOM 50 N GLU A 4 2.101 12.615 12.925 1.00 0.58 N ATOM 51 CA GLU A 4 3.425 12.280 12.442 1.00 0.49 C ATOM 52 C GLU A 4 3.282 11.684 11.038 1.00 0.40 C ATOM 53 O GLU A 4 2.188 11.638 10.484 1.00 0.58 O ATOM 54 CB GLU A 4 4.077 11.296 13.415 1.00 0.59 C ATOM 55 CG GLU A 4 4.908 11.975 14.489 1.00 0.80 C ATOM 56 CD GLU A 4 5.968 11.031 15.047 1.00 1.14 C ATOM 57 OE1 GLU A 4 5.619 10.239 15.947 1.00 2.08 O ATOM 58 OE2 GLU A 4 7.105 11.090 14.531 1.00 2.07 O ATOM 0 H GLU A 4 1.642 11.846 13.413 1.00 0.58 H new ATOM 0 HA GLU A 4 4.064 13.161 12.384 1.00 0.49 H new ATOM 0 HB2 GLU A 4 3.300 10.698 13.891 1.00 0.59 H new ATOM 0 HB3 GLU A 4 4.711 10.608 12.855 1.00 0.59 H new ATOM 0 HG2 GLU A 4 5.389 12.861 14.074 1.00 0.80 H new ATOM 0 HG3 GLU A 4 4.258 12.313 15.296 1.00 0.80 H new ATOM 65 N GLN A 5 4.395 11.235 10.456 1.00 0.37 N ATOM 66 CA GLN A 5 4.433 10.383 9.283 1.00 0.34 C ATOM 67 C GLN A 5 5.445 9.285 9.575 1.00 0.38 C ATOM 68 O GLN A 5 6.444 9.566 10.235 1.00 0.45 O ATOM 69 CB GLN A 5 4.944 11.197 8.097 1.00 0.40 C ATOM 70 CG GLN A 5 3.982 12.321 7.701 1.00 0.46 C ATOM 71 CD GLN A 5 2.818 11.888 6.811 1.00 0.53 C ATOM 72 OE1 GLN A 5 2.023 12.728 6.412 1.00 1.16 O ATOM 73 NE2 GLN A 5 2.707 10.609 6.454 1.00 0.47 N ATOM 0 H GLN A 5 5.324 11.467 10.807 1.00 0.37 H new ATOM 0 HA GLN A 5 3.446 9.979 9.056 1.00 0.34 H new ATOM 0 HB2 GLN A 5 5.915 11.625 8.345 1.00 0.40 H new ATOM 0 HB3 GLN A 5 5.096 10.535 7.244 1.00 0.40 H new ATOM 0 HG2 GLN A 5 3.579 12.771 8.608 1.00 0.46 H new ATOM 0 HG3 GLN A 5 4.546 13.097 7.184 1.00 0.46 H new ATOM 0 HE21 GLN A 5 3.380 9.923 6.797 1.00 0.47 H new ATOM 0 HE22 GLN A 5 1.949 10.316 5.838 1.00 0.47 H new ATOM 82 N LYS A 6 5.222 8.077 9.054 1.00 0.35 N ATOM 83 CA LYS A 6 6.244 7.056 8.909 1.00 0.34 C ATOM 84 C LYS A 6 6.066 6.294 7.602 1.00 0.32 C ATOM 85 O LYS A 6 4.983 6.280 7.009 1.00 0.32 O ATOM 86 CB LYS A 6 6.342 6.125 10.124 1.00 0.44 C ATOM 87 CG LYS A 6 6.883 6.897 11.335 1.00 0.95 C ATOM 88 CD LYS A 6 7.516 5.983 12.386 1.00 1.05 C ATOM 89 CE LYS A 6 8.118 6.868 13.489 1.00 2.13 C ATOM 90 NZ LYS A 6 8.968 6.102 14.419 1.00 2.96 N ATOM 0 H LYS A 6 4.306 7.782 8.716 1.00 0.35 H new ATOM 0 HA LYS A 6 7.205 7.569 8.866 1.00 0.34 H new ATOM 0 HB2 LYS A 6 5.361 5.711 10.355 1.00 0.44 H new ATOM 0 HB3 LYS A 6 6.997 5.284 9.896 1.00 0.44 H new ATOM 0 HG2 LYS A 6 7.624 7.622 10.997 1.00 0.95 H new ATOM 0 HG3 LYS A 6 6.071 7.461 11.793 1.00 0.95 H new ATOM 0 HD2 LYS A 6 6.768 5.309 12.804 1.00 1.05 H new ATOM 0 HD3 LYS A 6 8.288 5.361 11.934 1.00 1.05 H new ATOM 0 HE2 LYS A 6 8.707 7.663 13.033 1.00 2.13 H new ATOM 0 HE3 LYS A 6 7.314 7.348 14.047 1.00 2.13 H new ATOM 0 HZ1 LYS A 6 9.351 6.741 15.145 1.00 2.96 H new ATOM 0 HZ2 LYS A 6 8.401 5.359 14.876 1.00 2.96 H new ATOM 0 HZ3 LYS A 6 9.752 5.665 13.893 1.00 2.96 H new ATOM 104 N GLU A 7 7.184 5.714 7.168 1.00 0.34 N ATOM 105 CA GLU A 7 7.439 5.128 5.878 1.00 0.32 C ATOM 106 C GLU A 7 7.558 3.629 6.083 1.00 0.35 C ATOM 107 O GLU A 7 8.626 3.102 6.393 1.00 0.61 O ATOM 108 CB GLU A 7 8.743 5.681 5.288 1.00 0.41 C ATOM 109 CG GLU A 7 9.021 7.165 5.579 1.00 0.48 C ATOM 110 CD GLU A 7 9.775 7.414 6.890 1.00 0.64 C ATOM 111 OE1 GLU A 7 9.505 6.686 7.873 1.00 0.82 O ATOM 112 OE2 GLU A 7 10.610 8.343 6.886 1.00 1.36 O ATOM 0 H GLU A 7 8.001 5.642 7.775 1.00 0.34 H new ATOM 0 HA GLU A 7 6.633 5.364 5.184 1.00 0.32 H new ATOM 0 HB2 GLU A 7 9.575 5.091 5.672 1.00 0.41 H new ATOM 0 HB3 GLU A 7 8.723 5.538 4.208 1.00 0.41 H new ATOM 0 HG2 GLU A 7 9.598 7.584 4.755 1.00 0.48 H new ATOM 0 HG3 GLU A 7 8.073 7.702 5.610 1.00 0.48 H new ATOM 119 N ILE A 8 6.448 2.924 5.945 1.00 0.28 N ATOM 120 CA ILE A 8 6.428 1.514 6.209 1.00 0.30 C ATOM 121 C ILE A 8 6.933 0.816 4.942 1.00 0.24 C ATOM 122 O ILE A 8 6.979 1.446 3.886 1.00 0.24 O ATOM 123 CB ILE A 8 5.009 1.142 6.616 1.00 0.43 C ATOM 124 CG1 ILE A 8 4.275 2.148 7.505 1.00 1.14 C ATOM 125 CG2 ILE A 8 4.995 -0.238 7.243 1.00 0.73 C ATOM 126 CD1 ILE A 8 5.057 2.482 8.751 1.00 1.97 C ATOM 0 H ILE A 8 5.553 3.315 5.651 1.00 0.28 H new ATOM 0 HA ILE A 8 7.076 1.202 7.028 1.00 0.30 H new ATOM 0 HB ILE A 8 4.442 1.153 5.685 1.00 0.43 H new ATOM 0 HG12 ILE A 8 4.087 3.061 6.940 1.00 1.14 H new ATOM 0 HG13 ILE A 8 3.303 1.742 7.786 1.00 1.14 H new ATOM 0 HG21 ILE A 8 3.976 -0.496 7.531 1.00 0.73 H new ATOM 0 HG22 ILE A 8 5.365 -0.968 6.523 1.00 0.73 H new ATOM 0 HG23 ILE A 8 5.634 -0.243 8.126 1.00 0.73 H new ATOM 0 HD11 ILE A 8 4.497 3.199 9.351 1.00 1.97 H new ATOM 0 HD12 ILE A 8 5.222 1.574 9.331 1.00 1.97 H new ATOM 0 HD13 ILE A 8 6.018 2.914 8.472 1.00 1.97 H new ATOM 138 N ALA A 9 7.353 -0.448 5.044 1.00 0.25 N ATOM 139 CA ALA A 9 7.978 -1.198 3.962 1.00 0.29 C ATOM 140 C ALA A 9 7.471 -2.640 4.006 1.00 0.39 C ATOM 141 O ALA A 9 7.695 -3.327 4.999 1.00 0.61 O ATOM 142 CB ALA A 9 9.496 -1.153 4.154 1.00 0.44 C ATOM 0 H ALA A 9 7.263 -0.988 5.905 1.00 0.25 H new ATOM 0 HA ALA A 9 7.728 -0.767 2.993 1.00 0.29 H new ATOM 0 HB1 ALA A 9 9.981 -1.710 3.352 1.00 0.44 H new ATOM 0 HB2 ALA A 9 9.835 -0.117 4.133 1.00 0.44 H new ATOM 0 HB3 ALA A 9 9.755 -1.600 5.114 1.00 0.44 H new ATOM 148 N MET A 10 6.754 -3.097 2.973 1.00 0.34 N ATOM 149 CA MET A 10 6.132 -4.422 2.953 1.00 0.39 C ATOM 150 C MET A 10 6.310 -5.080 1.577 1.00 0.37 C ATOM 151 O MET A 10 6.803 -4.439 0.649 1.00 0.38 O ATOM 152 CB MET A 10 4.650 -4.283 3.340 1.00 0.59 C ATOM 153 CG MET A 10 4.464 -3.925 4.822 1.00 1.37 C ATOM 154 SD MET A 10 2.776 -3.520 5.343 1.00 1.86 S ATOM 155 CE MET A 10 2.537 -1.927 4.521 1.00 1.74 C ATOM 0 H MET A 10 6.589 -2.555 2.125 1.00 0.34 H new ATOM 0 HA MET A 10 6.618 -5.074 3.679 1.00 0.39 H new ATOM 0 HB2 MET A 10 4.186 -3.514 2.722 1.00 0.59 H new ATOM 0 HB3 MET A 10 4.132 -5.218 3.127 1.00 0.59 H new ATOM 0 HG2 MET A 10 4.816 -4.763 5.423 1.00 1.37 H new ATOM 0 HG3 MET A 10 5.107 -3.075 5.052 1.00 1.37 H new ATOM 0 HE1 MET A 10 1.610 -1.472 4.871 1.00 1.74 H new ATOM 0 HE2 MET A 10 3.374 -1.269 4.753 1.00 1.74 H new ATOM 0 HE3 MET A 10 2.482 -2.078 3.443 1.00 1.74 H new ATOM 165 N GLN A 11 5.913 -6.354 1.457 1.00 0.40 N ATOM 166 CA GLN A 11 5.849 -7.121 0.210 1.00 0.44 C ATOM 167 C GLN A 11 4.400 -7.158 -0.276 1.00 0.34 C ATOM 168 O GLN A 11 3.497 -6.817 0.483 1.00 0.37 O ATOM 169 CB GLN A 11 6.360 -8.554 0.465 1.00 0.55 C ATOM 170 CG GLN A 11 7.652 -8.922 -0.275 1.00 1.26 C ATOM 171 CD GLN A 11 7.317 -9.677 -1.561 1.00 1.92 C ATOM 172 OE1 GLN A 11 7.183 -10.897 -1.541 1.00 3.55 O ATOM 173 NE2 GLN A 11 7.150 -8.963 -2.666 1.00 1.56 N ATOM 0 H GLN A 11 5.615 -6.901 2.265 1.00 0.40 H new ATOM 0 HA GLN A 11 6.473 -6.653 -0.551 1.00 0.44 H new ATOM 0 HB2 GLN A 11 6.523 -8.680 1.535 1.00 0.55 H new ATOM 0 HB3 GLN A 11 5.580 -9.259 0.176 1.00 0.55 H new ATOM 0 HG2 GLN A 11 8.217 -8.020 -0.509 1.00 1.26 H new ATOM 0 HG3 GLN A 11 8.285 -9.538 0.364 1.00 1.26 H new ATOM 0 HE21 GLN A 11 7.270 -7.950 -2.642 1.00 1.56 H new ATOM 0 HE22 GLN A 11 6.901 -9.426 -3.540 1.00 1.56 H new ATOM 182 N VAL A 12 4.154 -7.603 -1.511 1.00 0.40 N ATOM 183 CA VAL A 12 2.816 -7.826 -2.030 1.00 0.51 C ATOM 184 C VAL A 12 2.713 -9.226 -2.634 1.00 0.37 C ATOM 185 O VAL A 12 3.701 -9.953 -2.705 1.00 0.46 O ATOM 186 CB VAL A 12 2.458 -6.732 -3.044 1.00 0.97 C ATOM 187 CG1 VAL A 12 2.313 -5.361 -2.372 1.00 2.07 C ATOM 188 CG2 VAL A 12 3.470 -6.630 -4.184 1.00 1.65 C ATOM 0 H VAL A 12 4.892 -7.819 -2.181 1.00 0.40 H new ATOM 0 HA VAL A 12 2.093 -7.768 -1.216 1.00 0.51 H new ATOM 0 HB VAL A 12 1.498 -7.029 -3.467 1.00 0.97 H new ATOM 0 HG11 VAL A 12 2.059 -4.613 -3.123 1.00 2.07 H new ATOM 0 HG12 VAL A 12 1.523 -5.405 -1.622 1.00 2.07 H new ATOM 0 HG13 VAL A 12 3.254 -5.089 -1.893 1.00 2.07 H new ATOM 0 HG21 VAL A 12 3.166 -5.840 -4.871 1.00 1.65 H new ATOM 0 HG22 VAL A 12 4.454 -6.398 -3.777 1.00 1.65 H new ATOM 0 HG23 VAL A 12 3.513 -7.579 -4.719 1.00 1.65 H new ATOM 198 N SER A 13 1.513 -9.619 -3.059 1.00 0.39 N ATOM 199 CA SER A 13 1.264 -10.857 -3.782 1.00 0.47 C ATOM 200 C SER A 13 0.052 -10.648 -4.690 1.00 0.58 C ATOM 201 O SER A 13 -0.552 -9.575 -4.677 1.00 0.68 O ATOM 202 CB SER A 13 1.049 -11.993 -2.774 1.00 0.61 C ATOM 203 OG SER A 13 2.257 -12.281 -2.098 1.00 0.94 O ATOM 0 H SER A 13 0.668 -9.069 -2.904 1.00 0.39 H new ATOM 0 HA SER A 13 2.114 -11.132 -4.407 1.00 0.47 H new ATOM 0 HB2 SER A 13 0.280 -11.710 -2.055 1.00 0.61 H new ATOM 0 HB3 SER A 13 0.691 -12.884 -3.290 1.00 0.61 H new ATOM 0 HG SER A 13 2.933 -11.612 -2.336 1.00 0.94 H new ATOM 209 N GLY A 14 -0.285 -11.641 -5.519 1.00 0.67 N ATOM 210 CA GLY A 14 -1.441 -11.579 -6.409 1.00 0.80 C ATOM 211 C GLY A 14 -1.122 -10.892 -7.740 1.00 1.11 C ATOM 212 O GLY A 14 -1.671 -11.271 -8.771 1.00 2.40 O ATOM 0 H GLY A 14 0.241 -12.512 -5.589 1.00 0.67 H new ATOM 0 HA2 GLY A 14 -1.801 -12.590 -6.603 1.00 0.80 H new ATOM 0 HA3 GLY A 14 -2.249 -11.043 -5.912 1.00 0.80 H new ATOM 216 N MET A 15 -0.250 -9.878 -7.715 1.00 0.80 N ATOM 217 CA MET A 15 0.169 -9.132 -8.894 1.00 0.82 C ATOM 218 C MET A 15 0.574 -10.040 -10.061 1.00 0.89 C ATOM 219 O MET A 15 1.203 -11.077 -9.858 1.00 1.09 O ATOM 220 CB MET A 15 1.297 -8.155 -8.513 1.00 0.85 C ATOM 221 CG MET A 15 2.647 -8.815 -8.197 1.00 0.87 C ATOM 222 SD MET A 15 3.774 -9.023 -9.604 1.00 1.41 S ATOM 223 CE MET A 15 5.213 -9.694 -8.741 1.00 1.85 C ATOM 0 H MET A 15 0.190 -9.551 -6.855 1.00 0.80 H new ATOM 0 HA MET A 15 -0.689 -8.563 -9.252 1.00 0.82 H new ATOM 0 HB2 MET A 15 1.437 -7.449 -9.331 1.00 0.85 H new ATOM 0 HB3 MET A 15 0.980 -7.578 -7.645 1.00 0.85 H new ATOM 0 HG2 MET A 15 3.152 -8.219 -7.436 1.00 0.87 H new ATOM 0 HG3 MET A 15 2.457 -9.795 -7.760 1.00 0.87 H new ATOM 0 HE1 MET A 15 6.011 -9.884 -9.458 1.00 1.85 H new ATOM 0 HE2 MET A 15 5.558 -8.977 -7.996 1.00 1.85 H new ATOM 0 HE3 MET A 15 4.939 -10.627 -8.248 1.00 1.85 H new ATOM 233 N THR A 16 0.220 -9.625 -11.279 1.00 0.97 N ATOM 234 CA THR A 16 0.651 -10.246 -12.524 1.00 1.15 C ATOM 235 C THR A 16 1.734 -9.395 -13.188 1.00 1.06 C ATOM 236 O THR A 16 2.736 -9.941 -13.647 1.00 1.44 O ATOM 237 CB THR A 16 -0.555 -10.427 -13.456 1.00 1.57 C ATOM 238 OG1 THR A 16 -1.489 -9.385 -13.242 1.00 1.76 O ATOM 239 CG2 THR A 16 -1.238 -11.775 -13.210 1.00 2.24 C ATOM 0 H THR A 16 -0.393 -8.823 -11.426 1.00 0.97 H new ATOM 0 HA THR A 16 1.075 -11.228 -12.312 1.00 1.15 H new ATOM 0 HB THR A 16 -0.197 -10.397 -14.485 1.00 1.57 H new ATOM 0 HG1 THR A 16 -2.256 -9.505 -13.841 1.00 1.76 H new ATOM 0 HG21 THR A 16 -2.089 -11.880 -13.882 1.00 2.24 H new ATOM 0 HG22 THR A 16 -0.528 -12.582 -13.395 1.00 2.24 H new ATOM 0 HG23 THR A 16 -1.583 -11.825 -12.177 1.00 2.24 H new ATOM 247 N CYS A 17 1.531 -8.073 -13.269 1.00 1.00 N ATOM 248 CA CYS A 17 2.428 -7.158 -13.959 1.00 1.44 C ATOM 249 C CYS A 17 2.733 -5.936 -13.093 1.00 1.31 C ATOM 250 O CYS A 17 1.997 -5.612 -12.156 1.00 2.07 O ATOM 251 CB CYS A 17 1.814 -6.769 -15.311 1.00 1.83 C ATOM 252 SG CYS A 17 0.380 -5.673 -15.105 1.00 1.75 S ATOM 0 H CYS A 17 0.725 -7.610 -12.848 1.00 1.00 H new ATOM 0 HA CYS A 17 3.381 -7.653 -14.146 1.00 1.44 H new ATOM 0 HB2 CYS A 17 2.567 -6.273 -15.924 1.00 1.83 H new ATOM 0 HB3 CYS A 17 1.511 -7.669 -15.846 1.00 1.83 H new ATOM 257 N ALA A 18 3.816 -5.234 -13.434 1.00 1.39 N ATOM 258 CA ALA A 18 4.250 -4.021 -12.755 1.00 1.32 C ATOM 259 C ALA A 18 3.388 -2.828 -13.178 1.00 1.19 C ATOM 260 O ALA A 18 3.905 -1.821 -13.656 1.00 2.08 O ATOM 261 CB ALA A 18 5.736 -3.788 -13.055 1.00 1.68 C ATOM 0 H ALA A 18 4.425 -5.502 -14.207 1.00 1.39 H new ATOM 0 HA ALA A 18 4.126 -4.134 -11.678 1.00 1.32 H new ATOM 0 HB1 ALA A 18 6.071 -2.882 -12.551 1.00 1.68 H new ATOM 0 HB2 ALA A 18 6.317 -4.638 -12.697 1.00 1.68 H new ATOM 0 HB3 ALA A 18 5.877 -3.679 -14.130 1.00 1.68 H new ATOM 267 N ALA A 19 2.071 -2.939 -12.992 1.00 0.70 N ATOM 268 CA ALA A 19 1.120 -1.871 -13.267 1.00 0.69 C ATOM 269 C ALA A 19 0.022 -1.880 -12.208 1.00 0.61 C ATOM 270 O ALA A 19 -0.170 -0.887 -11.511 1.00 0.64 O ATOM 271 CB ALA A 19 0.544 -2.005 -14.680 1.00 0.97 C ATOM 0 H ALA A 19 1.633 -3.790 -12.640 1.00 0.70 H new ATOM 0 HA ALA A 19 1.634 -0.911 -13.221 1.00 0.69 H new ATOM 0 HB1 ALA A 19 -0.164 -1.196 -14.863 1.00 0.97 H new ATOM 0 HB2 ALA A 19 1.352 -1.951 -15.409 1.00 0.97 H new ATOM 0 HB3 ALA A 19 0.033 -2.963 -14.775 1.00 0.97 H new ATOM 277 N CYS A 20 -0.690 -3.001 -12.061 1.00 0.63 N ATOM 278 CA CYS A 20 -1.837 -3.090 -11.163 1.00 0.64 C ATOM 279 C CYS A 20 -1.475 -2.656 -9.739 1.00 0.47 C ATOM 280 O CYS A 20 -2.199 -1.885 -9.107 1.00 0.48 O ATOM 281 CB CYS A 20 -2.399 -4.518 -11.180 1.00 0.77 C ATOM 282 SG CYS A 20 -2.801 -5.045 -12.869 1.00 1.39 S ATOM 0 H CYS A 20 -0.486 -3.867 -12.560 1.00 0.63 H new ATOM 0 HA CYS A 20 -2.605 -2.403 -11.518 1.00 0.64 H new ATOM 0 HB2 CYS A 20 -1.671 -5.203 -10.746 1.00 0.77 H new ATOM 0 HB3 CYS A 20 -3.293 -4.567 -10.558 1.00 0.77 H new ATOM 287 N ALA A 21 -0.312 -3.109 -9.263 1.00 0.45 N ATOM 288 CA ALA A 21 0.222 -2.774 -7.951 1.00 0.46 C ATOM 289 C ALA A 21 0.324 -1.258 -7.714 1.00 0.46 C ATOM 290 O ALA A 21 0.340 -0.810 -6.571 1.00 0.47 O ATOM 291 CB ALA A 21 1.581 -3.455 -7.774 1.00 0.54 C ATOM 0 H ALA A 21 0.294 -3.733 -9.796 1.00 0.45 H new ATOM 0 HA ALA A 21 -0.476 -3.143 -7.200 1.00 0.46 H new ATOM 0 HB1 ALA A 21 1.987 -3.208 -6.793 1.00 0.54 H new ATOM 0 HB2 ALA A 21 1.460 -4.535 -7.855 1.00 0.54 H new ATOM 0 HB3 ALA A 21 2.266 -3.107 -8.548 1.00 0.54 H new ATOM 297 N ALA A 22 0.383 -0.448 -8.775 1.00 0.48 N ATOM 298 CA ALA A 22 0.313 0.997 -8.654 1.00 0.50 C ATOM 299 C ALA A 22 -1.091 1.425 -8.247 1.00 0.48 C ATOM 300 O ALA A 22 -1.257 2.257 -7.356 1.00 0.44 O ATOM 301 CB ALA A 22 0.690 1.642 -9.990 1.00 0.61 C ATOM 0 H ALA A 22 0.480 -0.781 -9.734 1.00 0.48 H new ATOM 0 HA ALA A 22 1.013 1.324 -7.885 1.00 0.50 H new ATOM 0 HB1 ALA A 22 0.637 2.727 -9.898 1.00 0.61 H new ATOM 0 HB2 ALA A 22 1.704 1.350 -10.262 1.00 0.61 H new ATOM 0 HB3 ALA A 22 -0.003 1.309 -10.763 1.00 0.61 H new ATOM 307 N ARG A 23 -2.109 0.889 -8.923 1.00 0.55 N ATOM 308 CA ARG A 23 -3.476 1.355 -8.760 1.00 0.50 C ATOM 309 C ARG A 23 -3.891 1.210 -7.305 1.00 0.45 C ATOM 310 O ARG A 23 -4.400 2.158 -6.704 1.00 0.35 O ATOM 311 CB ARG A 23 -4.436 0.589 -9.675 1.00 0.57 C ATOM 312 CG ARG A 23 -4.044 0.742 -11.150 1.00 0.83 C ATOM 313 CD ARG A 23 -5.213 0.353 -12.067 1.00 1.82 C ATOM 314 NE ARG A 23 -6.361 1.267 -11.917 1.00 2.24 N ATOM 315 CZ ARG A 23 -6.432 2.519 -12.402 1.00 2.97 C ATOM 316 NH1 ARG A 23 -5.424 3.008 -13.133 1.00 3.39 N ATOM 317 NH2 ARG A 23 -7.504 3.278 -12.147 1.00 4.22 N ATOM 0 H ARG A 23 -2.005 0.126 -9.592 1.00 0.55 H new ATOM 0 HA ARG A 23 -3.523 2.406 -9.044 1.00 0.50 H new ATOM 0 HB2 ARG A 23 -4.435 -0.467 -9.404 1.00 0.57 H new ATOM 0 HB3 ARG A 23 -5.452 0.955 -9.527 1.00 0.57 H new ATOM 0 HG2 ARG A 23 -3.748 1.772 -11.348 1.00 0.83 H new ATOM 0 HG3 ARG A 23 -3.180 0.115 -11.368 1.00 0.83 H new ATOM 0 HD2 ARG A 23 -4.878 0.359 -13.104 1.00 1.82 H new ATOM 0 HD3 ARG A 23 -5.528 -0.665 -11.840 1.00 1.82 H new ATOM 0 HE ARG A 23 -7.170 0.920 -11.402 1.00 2.24 H new ATOM 0 HH11 ARG A 23 -4.604 2.431 -13.321 1.00 3.39 H new ATOM 0 HH12 ARG A 23 -5.475 3.957 -13.502 1.00 3.39 H new ATOM 0 HH21 ARG A 23 -8.269 2.907 -11.584 1.00 4.22 H new ATOM 0 HH22 ARG A 23 -7.556 4.228 -12.516 1.00 4.22 H new ATOM 331 N ILE A 24 -3.637 0.025 -6.741 1.00 0.55 N ATOM 332 CA ILE A 24 -3.967 -0.230 -5.351 1.00 0.54 C ATOM 333 C ILE A 24 -3.305 0.815 -4.457 1.00 0.48 C ATOM 334 O ILE A 24 -3.977 1.476 -3.672 1.00 0.45 O ATOM 335 CB ILE A 24 -3.691 -1.682 -4.934 1.00 0.57 C ATOM 336 CG1 ILE A 24 -2.196 -1.924 -4.757 1.00 0.57 C ATOM 337 CG2 ILE A 24 -4.315 -2.641 -5.954 1.00 0.64 C ATOM 338 CD1 ILE A 24 -1.798 -3.380 -4.559 1.00 0.64 C ATOM 0 H ILE A 24 -3.207 -0.762 -7.228 1.00 0.55 H new ATOM 0 HA ILE A 24 -5.044 -0.121 -5.222 1.00 0.54 H new ATOM 0 HB ILE A 24 -4.155 -1.872 -3.966 1.00 0.57 H new ATOM 0 HG12 ILE A 24 -1.675 -1.536 -5.632 1.00 0.57 H new ATOM 0 HG13 ILE A 24 -1.849 -1.348 -3.899 1.00 0.57 H new ATOM 0 HG21 ILE A 24 -4.117 -3.670 -5.654 1.00 0.64 H new ATOM 0 HG22 ILE A 24 -5.392 -2.476 -5.997 1.00 0.64 H new ATOM 0 HG23 ILE A 24 -3.881 -2.459 -6.937 1.00 0.64 H new ATOM 0 HD11 ILE A 24 -0.716 -3.449 -4.442 1.00 0.64 H new ATOM 0 HD12 ILE A 24 -2.285 -3.772 -3.666 1.00 0.64 H new ATOM 0 HD13 ILE A 24 -2.107 -3.963 -5.427 1.00 0.64 H new ATOM 350 N GLU A 25 -1.996 1.004 -4.626 1.00 0.52 N ATOM 351 CA GLU A 25 -1.229 1.971 -3.869 1.00 0.50 C ATOM 352 C GLU A 25 -1.779 3.389 -3.963 1.00 0.39 C ATOM 353 O GLU A 25 -1.811 4.116 -2.978 1.00 0.37 O ATOM 354 CB GLU A 25 0.240 1.946 -4.290 1.00 0.61 C ATOM 355 CG GLU A 25 1.110 2.090 -3.038 1.00 0.67 C ATOM 356 CD GLU A 25 2.474 2.689 -3.328 1.00 2.91 C ATOM 357 OE1 GLU A 25 2.648 3.332 -4.397 1.00 4.52 O ATOM 358 OE2 GLU A 25 3.330 2.516 -2.439 1.00 3.88 O ATOM 0 H GLU A 25 -1.440 0.480 -5.302 1.00 0.52 H new ATOM 0 HA GLU A 25 -1.315 1.672 -2.824 1.00 0.50 H new ATOM 0 HB2 GLU A 25 0.470 1.013 -4.805 1.00 0.61 H new ATOM 0 HB3 GLU A 25 0.447 2.756 -4.990 1.00 0.61 H new ATOM 0 HG2 GLU A 25 0.591 2.716 -2.312 1.00 0.67 H new ATOM 0 HG3 GLU A 25 1.240 1.110 -2.578 1.00 0.67 H new ATOM 365 N LYS A 26 -2.155 3.825 -5.160 1.00 0.37 N ATOM 366 CA LYS A 26 -2.609 5.195 -5.352 1.00 0.33 C ATOM 367 C LYS A 26 -4.006 5.367 -4.737 1.00 0.33 C ATOM 368 O LYS A 26 -4.264 6.351 -4.044 1.00 0.45 O ATOM 369 CB LYS A 26 -2.460 5.605 -6.826 1.00 0.33 C ATOM 370 CG LYS A 26 -1.037 6.126 -7.137 1.00 0.49 C ATOM 371 CD LYS A 26 0.096 5.145 -6.787 1.00 1.17 C ATOM 372 CE LYS A 26 1.498 5.736 -6.978 1.00 0.89 C ATOM 373 NZ LYS A 26 2.550 4.782 -6.559 1.00 2.14 N ATOM 0 H LYS A 26 -2.154 3.254 -6.005 1.00 0.37 H new ATOM 0 HA LYS A 26 -1.978 5.903 -4.815 1.00 0.33 H new ATOM 0 HB2 LYS A 26 -2.682 4.750 -7.465 1.00 0.33 H new ATOM 0 HB3 LYS A 26 -3.190 6.379 -7.064 1.00 0.33 H new ATOM 0 HG2 LYS A 26 -0.976 6.366 -8.198 1.00 0.49 H new ATOM 0 HG3 LYS A 26 -0.877 7.055 -6.590 1.00 0.49 H new ATOM 0 HD2 LYS A 26 -0.017 4.826 -5.751 1.00 1.17 H new ATOM 0 HD3 LYS A 26 -0.001 4.254 -7.407 1.00 1.17 H new ATOM 0 HE2 LYS A 26 1.642 6.002 -8.025 1.00 0.89 H new ATOM 0 HE3 LYS A 26 1.588 6.656 -6.400 1.00 0.89 H new ATOM 0 HZ1 LYS A 26 3.351 5.305 -6.152 1.00 2.14 H new ATOM 0 HZ2 LYS A 26 2.164 4.130 -5.846 1.00 2.14 H new ATOM 0 HZ3 LYS A 26 2.875 4.239 -7.384 1.00 2.14 H new ATOM 387 N GLY A 27 -4.885 4.376 -4.914 1.00 0.35 N ATOM 388 CA GLY A 27 -6.143 4.323 -4.180 1.00 0.45 C ATOM 389 C GLY A 27 -5.901 4.332 -2.667 1.00 0.47 C ATOM 390 O GLY A 27 -6.620 4.984 -1.915 1.00 0.64 O ATOM 0 H GLY A 27 -4.744 3.601 -5.561 1.00 0.35 H new ATOM 0 HA2 GLY A 27 -6.765 5.174 -4.457 1.00 0.45 H new ATOM 0 HA3 GLY A 27 -6.692 3.423 -4.458 1.00 0.45 H new ATOM 394 N LEU A 28 -4.873 3.610 -2.222 1.00 0.39 N ATOM 395 CA LEU A 28 -4.480 3.513 -0.823 1.00 0.47 C ATOM 396 C LEU A 28 -4.001 4.890 -0.331 1.00 0.56 C ATOM 397 O LEU A 28 -4.418 5.352 0.729 1.00 0.72 O ATOM 398 CB LEU A 28 -3.468 2.363 -0.714 1.00 0.46 C ATOM 399 CG LEU A 28 -3.035 1.905 0.680 1.00 0.56 C ATOM 400 CD1 LEU A 28 -2.243 0.603 0.517 1.00 1.83 C ATOM 401 CD2 LEU A 28 -2.132 2.955 1.332 1.00 1.83 C ATOM 0 H LEU A 28 -4.277 3.063 -2.844 1.00 0.39 H new ATOM 0 HA LEU A 28 -5.303 3.263 -0.153 1.00 0.47 H new ATOM 0 HB2 LEU A 28 -3.888 1.501 -1.231 1.00 0.46 H new ATOM 0 HB3 LEU A 28 -2.572 2.657 -1.260 1.00 0.46 H new ATOM 0 HG LEU A 28 -3.912 1.760 1.310 1.00 0.56 H new ATOM 0 HD11 LEU A 28 -1.919 0.249 1.496 1.00 1.83 H new ATOM 0 HD12 LEU A 28 -2.876 -0.152 0.050 1.00 1.83 H new ATOM 0 HD13 LEU A 28 -1.370 0.784 -0.110 1.00 1.83 H new ATOM 0 HD21 LEU A 28 -1.833 2.613 2.323 1.00 1.83 H new ATOM 0 HD22 LEU A 28 -1.245 3.104 0.717 1.00 1.83 H new ATOM 0 HD23 LEU A 28 -2.674 3.896 1.421 1.00 1.83 H new ATOM 413 N LYS A 29 -3.186 5.595 -1.122 1.00 0.50 N ATOM 414 CA LYS A 29 -2.750 6.949 -0.802 1.00 0.61 C ATOM 415 C LYS A 29 -3.947 7.866 -0.545 1.00 0.66 C ATOM 416 O LYS A 29 -3.904 8.718 0.335 1.00 0.80 O ATOM 417 CB LYS A 29 -1.858 7.525 -1.908 1.00 0.63 C ATOM 418 CG LYS A 29 -1.139 8.779 -1.388 1.00 0.75 C ATOM 419 CD LYS A 29 -0.697 9.724 -2.512 1.00 1.02 C ATOM 420 CE LYS A 29 0.368 9.083 -3.410 1.00 2.54 C ATOM 421 NZ LYS A 29 1.088 10.093 -4.208 1.00 3.66 N ATOM 0 H LYS A 29 -2.812 5.239 -2.002 1.00 0.50 H new ATOM 0 HA LYS A 29 -2.159 6.894 0.112 1.00 0.61 H new ATOM 0 HB2 LYS A 29 -1.128 6.780 -2.226 1.00 0.63 H new ATOM 0 HB3 LYS A 29 -2.460 7.774 -2.782 1.00 0.63 H new ATOM 0 HG2 LYS A 29 -1.801 9.316 -0.709 1.00 0.75 H new ATOM 0 HG3 LYS A 29 -0.266 8.477 -0.810 1.00 0.75 H new ATOM 0 HD2 LYS A 29 -1.562 10.001 -3.115 1.00 1.02 H new ATOM 0 HD3 LYS A 29 -0.302 10.643 -2.080 1.00 1.02 H new ATOM 0 HE2 LYS A 29 1.079 8.531 -2.795 1.00 2.54 H new ATOM 0 HE3 LYS A 29 -0.104 8.361 -4.077 1.00 2.54 H new ATOM 0 HZ1 LYS A 29 1.322 9.696 -5.140 1.00 3.66 H new ATOM 0 HZ2 LYS A 29 0.486 10.932 -4.330 1.00 3.66 H new ATOM 0 HZ3 LYS A 29 1.964 10.363 -3.717 1.00 3.66 H new ATOM 435 N ARG A 30 -5.013 7.704 -1.327 1.00 0.66 N ATOM 436 CA ARG A 30 -6.215 8.515 -1.196 1.00 0.72 C ATOM 437 C ARG A 30 -6.939 8.364 0.152 1.00 0.73 C ATOM 438 O ARG A 30 -7.874 9.128 0.396 1.00 0.83 O ATOM 439 CB ARG A 30 -7.151 8.231 -2.388 1.00 0.72 C ATOM 440 CG ARG A 30 -7.002 9.267 -3.516 1.00 1.10 C ATOM 441 CD ARG A 30 -8.318 10.028 -3.742 1.00 1.37 C ATOM 442 NE ARG A 30 -8.086 11.359 -4.326 1.00 1.89 N ATOM 443 CZ ARG A 30 -7.747 12.451 -3.618 1.00 3.08 C ATOM 444 NH1 ARG A 30 -7.519 12.348 -2.303 1.00 4.35 N ATOM 445 NH2 ARG A 30 -7.635 13.636 -4.227 1.00 3.59 N ATOM 0 H ARG A 30 -5.064 7.006 -2.069 1.00 0.66 H new ATOM 0 HA ARG A 30 -5.901 9.559 -1.213 1.00 0.72 H new ATOM 0 HB2 ARG A 30 -6.940 7.237 -2.782 1.00 0.72 H new ATOM 0 HB3 ARG A 30 -8.184 8.223 -2.040 1.00 0.72 H new ATOM 0 HG2 ARG A 30 -6.209 9.971 -3.265 1.00 1.10 H new ATOM 0 HG3 ARG A 30 -6.704 8.766 -4.437 1.00 1.10 H new ATOM 0 HD2 ARG A 30 -8.964 9.449 -4.402 1.00 1.37 H new ATOM 0 HD3 ARG A 30 -8.844 10.134 -2.793 1.00 1.37 H new ATOM 0 HE ARG A 30 -8.189 11.460 -5.336 1.00 1.89 H new ATOM 0 HH11 ARG A 30 -7.603 11.443 -1.840 1.00 4.35 H new ATOM 0 HH12 ARG A 30 -7.262 13.175 -1.764 1.00 4.35 H new ATOM 0 HH21 ARG A 30 -7.807 13.712 -5.230 1.00 3.59 H new ATOM 0 HH22 ARG A 30 -7.378 14.464 -3.689 1.00 3.59 H new ATOM 459 N MET A 31 -6.557 7.417 1.016 1.00 0.65 N ATOM 460 CA MET A 31 -7.238 7.193 2.288 1.00 0.61 C ATOM 461 C MET A 31 -6.761 8.180 3.364 1.00 0.61 C ATOM 462 O MET A 31 -5.622 8.641 3.309 1.00 0.66 O ATOM 463 CB MET A 31 -7.003 5.742 2.723 1.00 0.54 C ATOM 464 CG MET A 31 -7.418 4.749 1.633 1.00 1.68 C ATOM 465 SD MET A 31 -9.077 4.916 0.913 1.00 3.41 S ATOM 466 CE MET A 31 -10.126 4.641 2.355 1.00 3.44 C ATOM 0 H MET A 31 -5.770 6.789 0.851 1.00 0.65 H new ATOM 0 HA MET A 31 -8.306 7.366 2.158 1.00 0.61 H new ATOM 0 HB2 MET A 31 -5.949 5.600 2.962 1.00 0.54 H new ATOM 0 HB3 MET A 31 -7.567 5.539 3.634 1.00 0.54 H new ATOM 0 HG2 MET A 31 -6.693 4.822 0.822 1.00 1.68 H new ATOM 0 HG3 MET A 31 -7.333 3.744 2.047 1.00 1.68 H new ATOM 0 HE1 MET A 31 -11.107 4.293 2.030 1.00 3.44 H new ATOM 0 HE2 MET A 31 -9.669 3.890 2.999 1.00 3.44 H new ATOM 0 HE3 MET A 31 -10.237 5.574 2.908 1.00 3.44 H new ATOM 476 N PRO A 32 -7.610 8.515 4.355 1.00 0.62 N ATOM 477 CA PRO A 32 -7.237 9.425 5.428 1.00 0.62 C ATOM 478 C PRO A 32 -6.026 8.887 6.195 1.00 0.61 C ATOM 479 O PRO A 32 -5.774 7.682 6.227 1.00 0.77 O ATOM 480 CB PRO A 32 -8.483 9.574 6.309 1.00 0.71 C ATOM 481 CG PRO A 32 -9.263 8.287 6.044 1.00 0.74 C ATOM 482 CD PRO A 32 -8.950 7.995 4.578 1.00 0.71 C ATOM 0 HA PRO A 32 -6.929 10.401 5.053 1.00 0.62 H new ATOM 0 HB2 PRO A 32 -8.220 9.675 7.362 1.00 0.71 H new ATOM 0 HB3 PRO A 32 -9.062 10.457 6.039 1.00 0.71 H new ATOM 0 HG2 PRO A 32 -8.938 7.476 6.696 1.00 0.74 H new ATOM 0 HG3 PRO A 32 -10.332 8.421 6.210 1.00 0.74 H new ATOM 0 HD2 PRO A 32 -8.995 6.925 4.373 1.00 0.71 H new ATOM 0 HD3 PRO A 32 -9.672 8.477 3.919 1.00 0.71 H new ATOM 490 N GLY A 33 -5.227 9.793 6.754 1.00 0.63 N ATOM 491 CA GLY A 33 -4.008 9.460 7.471 1.00 0.66 C ATOM 492 C GLY A 33 -2.834 9.164 6.534 1.00 0.59 C ATOM 493 O GLY A 33 -1.683 9.336 6.931 1.00 0.65 O ATOM 0 H GLY A 33 -5.416 10.795 6.718 1.00 0.63 H new ATOM 0 HA2 GLY A 33 -3.742 10.286 8.130 1.00 0.66 H new ATOM 0 HA3 GLY A 33 -4.190 8.592 8.105 1.00 0.66 H new ATOM 497 N VAL A 34 -3.089 8.721 5.299 1.00 0.57 N ATOM 498 CA VAL A 34 -2.036 8.496 4.322 1.00 0.49 C ATOM 499 C VAL A 34 -1.753 9.806 3.590 1.00 0.53 C ATOM 500 O VAL A 34 -2.685 10.553 3.302 1.00 0.83 O ATOM 501 CB VAL A 34 -2.410 7.357 3.362 1.00 0.50 C ATOM 502 CG1 VAL A 34 -1.183 6.976 2.520 1.00 0.42 C ATOM 503 CG2 VAL A 34 -2.925 6.124 4.120 1.00 0.56 C ATOM 0 H VAL A 34 -4.027 8.511 4.957 1.00 0.57 H new ATOM 0 HA VAL A 34 -1.123 8.180 4.827 1.00 0.49 H new ATOM 0 HB VAL A 34 -3.213 7.708 2.714 1.00 0.50 H new ATOM 0 HG11 VAL A 34 -1.447 6.168 1.838 1.00 0.42 H new ATOM 0 HG12 VAL A 34 -0.852 7.842 1.946 1.00 0.42 H new ATOM 0 HG13 VAL A 34 -0.378 6.648 3.178 1.00 0.42 H new ATOM 0 HG21 VAL A 34 -3.180 5.339 3.408 1.00 0.56 H new ATOM 0 HG22 VAL A 34 -2.150 5.763 4.796 1.00 0.56 H new ATOM 0 HG23 VAL A 34 -3.811 6.394 4.695 1.00 0.56 H new ATOM 513 N THR A 35 -0.476 10.090 3.302 1.00 0.38 N ATOM 514 CA THR A 35 -0.094 11.306 2.588 1.00 0.39 C ATOM 515 C THR A 35 0.619 10.978 1.280 1.00 0.40 C ATOM 516 O THR A 35 0.311 11.603 0.266 1.00 0.50 O ATOM 517 CB THR A 35 0.668 12.280 3.510 1.00 0.49 C ATOM 518 OG1 THR A 35 0.011 13.533 3.525 1.00 1.38 O ATOM 519 CG2 THR A 35 2.138 12.521 3.148 1.00 0.97 C ATOM 0 H THR A 35 0.309 9.490 3.555 1.00 0.38 H new ATOM 0 HA THR A 35 -0.996 11.842 2.293 1.00 0.39 H new ATOM 0 HB THR A 35 0.667 11.793 4.485 1.00 0.49 H new ATOM 0 HG1 THR A 35 0.496 14.150 4.113 1.00 1.38 H new ATOM 0 HG21 THR A 35 2.578 13.220 3.859 1.00 0.97 H new ATOM 0 HG22 THR A 35 2.681 11.577 3.184 1.00 0.97 H new ATOM 0 HG23 THR A 35 2.202 12.938 2.143 1.00 0.97 H new ATOM 527 N ASP A 36 1.544 10.007 1.270 1.00 0.40 N ATOM 528 CA ASP A 36 2.199 9.609 0.037 1.00 0.49 C ATOM 529 C ASP A 36 2.443 8.112 0.015 1.00 0.49 C ATOM 530 O ASP A 36 2.216 7.421 1.007 1.00 0.36 O ATOM 531 CB ASP A 36 3.477 10.417 -0.241 1.00 0.61 C ATOM 532 CG ASP A 36 3.457 11.002 -1.647 1.00 0.86 C ATOM 533 OD1 ASP A 36 2.973 10.288 -2.557 1.00 1.73 O ATOM 534 OD2 ASP A 36 3.880 12.164 -1.804 1.00 1.89 O ATOM 0 H ASP A 36 1.846 9.493 2.098 1.00 0.40 H new ATOM 0 HA ASP A 36 1.521 9.844 -0.783 1.00 0.49 H new ATOM 0 HB2 ASP A 36 3.570 11.220 0.490 1.00 0.61 H new ATOM 0 HB3 ASP A 36 4.350 9.776 -0.122 1.00 0.61 H new ATOM 539 N ALA A 37 2.830 7.604 -1.150 1.00 0.68 N ATOM 540 CA ALA A 37 3.053 6.181 -1.362 1.00 0.75 C ATOM 541 C ALA A 37 3.942 5.940 -2.579 1.00 0.92 C ATOM 542 O ALA A 37 4.007 6.785 -3.475 1.00 1.22 O ATOM 543 CB ALA A 37 1.709 5.452 -1.442 1.00 0.79 C ATOM 0 H ALA A 37 2.999 8.174 -1.979 1.00 0.68 H new ATOM 0 HA ALA A 37 3.595 5.766 -0.512 1.00 0.75 H new ATOM 0 HB1 ALA A 37 1.881 4.387 -1.601 1.00 0.79 H new ATOM 0 HB2 ALA A 37 1.161 5.596 -0.511 1.00 0.79 H new ATOM 0 HB3 ALA A 37 1.126 5.853 -2.272 1.00 0.79 H new ATOM 549 N ASN A 38 4.649 4.809 -2.596 1.00 0.75 N ATOM 550 CA ASN A 38 5.720 4.497 -3.524 1.00 0.79 C ATOM 551 C ASN A 38 5.861 2.973 -3.637 1.00 0.65 C ATOM 552 O ASN A 38 6.574 2.332 -2.860 1.00 0.78 O ATOM 553 CB ASN A 38 7.063 5.176 -3.156 1.00 0.81 C ATOM 554 CG ASN A 38 7.095 6.052 -1.900 1.00 0.80 C ATOM 555 OD1 ASN A 38 7.514 7.202 -1.957 1.00 1.00 O ATOM 556 ND2 ASN A 38 6.682 5.532 -0.748 1.00 0.64 N ATOM 0 H ASN A 38 4.477 4.056 -1.930 1.00 0.75 H new ATOM 0 HA ASN A 38 5.453 4.909 -4.497 1.00 0.79 H new ATOM 0 HB2 ASN A 38 7.814 4.394 -3.039 1.00 0.81 H new ATOM 0 HB3 ASN A 38 7.371 5.790 -4.002 1.00 0.81 H new ATOM 0 HD21 ASN A 38 6.711 6.092 0.104 1.00 0.64 H new ATOM 0 HD22 ASN A 38 6.336 4.573 -0.716 1.00 0.64 H new ATOM 563 N VAL A 39 5.204 2.389 -4.643 1.00 0.49 N ATOM 564 CA VAL A 39 5.215 0.949 -4.837 1.00 0.38 C ATOM 565 C VAL A 39 6.533 0.536 -5.503 1.00 0.24 C ATOM 566 O VAL A 39 6.673 0.542 -6.726 1.00 0.52 O ATOM 567 CB VAL A 39 3.953 0.502 -5.605 1.00 0.53 C ATOM 568 CG1 VAL A 39 3.696 1.261 -6.914 1.00 0.97 C ATOM 569 CG2 VAL A 39 3.965 -1.004 -5.861 1.00 0.62 C ATOM 0 H VAL A 39 4.657 2.901 -5.335 1.00 0.49 H new ATOM 0 HA VAL A 39 5.174 0.431 -3.879 1.00 0.38 H new ATOM 0 HB VAL A 39 3.123 0.756 -4.946 1.00 0.53 H new ATOM 0 HG11 VAL A 39 2.789 0.879 -7.384 1.00 0.97 H new ATOM 0 HG12 VAL A 39 3.575 2.323 -6.701 1.00 0.97 H new ATOM 0 HG13 VAL A 39 4.541 1.120 -7.588 1.00 0.97 H new ATOM 0 HG21 VAL A 39 3.063 -1.288 -6.404 1.00 0.62 H new ATOM 0 HG22 VAL A 39 4.842 -1.265 -6.453 1.00 0.62 H new ATOM 0 HG23 VAL A 39 3.998 -1.535 -4.909 1.00 0.62 H new ATOM 579 N ASN A 40 7.524 0.154 -4.693 1.00 0.42 N ATOM 580 CA ASN A 40 8.862 -0.192 -5.155 1.00 0.36 C ATOM 581 C ASN A 40 8.879 -1.639 -5.666 1.00 0.33 C ATOM 582 O ASN A 40 9.632 -2.495 -5.193 1.00 0.32 O ATOM 583 CB ASN A 40 9.852 0.033 -4.005 1.00 0.36 C ATOM 584 CG ASN A 40 11.297 -0.237 -4.417 1.00 0.34 C ATOM 585 OD1 ASN A 40 11.620 -0.291 -5.600 1.00 0.51 O ATOM 586 ND2 ASN A 40 12.183 -0.408 -3.442 1.00 0.62 N ATOM 0 H ASN A 40 7.413 0.077 -3.682 1.00 0.42 H new ATOM 0 HA ASN A 40 9.160 0.443 -5.989 1.00 0.36 H new ATOM 0 HB2 ASN A 40 9.765 1.060 -3.650 1.00 0.36 H new ATOM 0 HB3 ASN A 40 9.588 -0.616 -3.170 1.00 0.36 H new ATOM 0 HD21 ASN A 40 13.161 -0.590 -3.668 1.00 0.62 H new ATOM 0 HD22 ASN A 40 11.885 -0.358 -2.468 1.00 0.62 H new ATOM 593 N LEU A 41 8.036 -1.902 -6.667 1.00 0.36 N ATOM 594 CA LEU A 41 7.878 -3.210 -7.290 1.00 0.39 C ATOM 595 C LEU A 41 9.114 -3.581 -8.105 1.00 0.43 C ATOM 596 O LEU A 41 9.357 -4.763 -8.332 1.00 0.50 O ATOM 597 CB LEU A 41 6.590 -3.242 -8.132 1.00 0.47 C ATOM 598 CG LEU A 41 5.493 -4.164 -7.572 1.00 0.59 C ATOM 599 CD1 LEU A 41 5.740 -5.622 -7.969 1.00 0.83 C ATOM 600 CD2 LEU A 41 5.325 -4.060 -6.050 1.00 1.01 C ATOM 0 H LEU A 41 7.430 -1.190 -7.074 1.00 0.36 H new ATOM 0 HA LEU A 41 7.781 -3.966 -6.511 1.00 0.39 H new ATOM 0 HB2 LEU A 41 6.194 -2.229 -8.208 1.00 0.47 H new ATOM 0 HB3 LEU A 41 6.838 -3.564 -9.143 1.00 0.47 H new ATOM 0 HG LEU A 41 4.562 -3.817 -8.020 1.00 0.59 H new ATOM 0 HD11 LEU A 41 4.949 -6.250 -7.559 1.00 0.83 H new ATOM 0 HD12 LEU A 41 5.745 -5.707 -9.056 1.00 0.83 H new ATOM 0 HD13 LEU A 41 6.703 -5.948 -7.575 1.00 0.83 H new ATOM 0 HD21 LEU A 41 4.535 -4.737 -5.724 1.00 1.01 H new ATOM 0 HD22 LEU A 41 6.261 -4.332 -5.561 1.00 1.01 H new ATOM 0 HD23 LEU A 41 5.060 -3.037 -5.782 1.00 1.01 H new ATOM 612 N ALA A 42 9.926 -2.585 -8.479 1.00 0.43 N ATOM 613 CA ALA A 42 11.244 -2.784 -9.070 1.00 0.50 C ATOM 614 C ALA A 42 12.034 -3.876 -8.349 1.00 0.52 C ATOM 615 O ALA A 42 12.723 -4.659 -8.998 1.00 0.68 O ATOM 616 CB ALA A 42 12.041 -1.483 -9.007 1.00 0.47 C ATOM 0 H ALA A 42 9.676 -1.602 -8.375 1.00 0.43 H new ATOM 0 HA ALA A 42 11.092 -3.093 -10.104 1.00 0.50 H new ATOM 0 HB1 ALA A 42 13.025 -1.637 -9.450 1.00 0.47 H new ATOM 0 HB2 ALA A 42 11.513 -0.706 -9.559 1.00 0.47 H new ATOM 0 HB3 ALA A 42 12.155 -1.176 -7.967 1.00 0.47 H new ATOM 622 N THR A 43 11.937 -3.916 -7.015 1.00 0.45 N ATOM 623 CA THR A 43 12.497 -4.999 -6.221 1.00 0.57 C ATOM 624 C THR A 43 11.432 -5.573 -5.278 1.00 0.64 C ATOM 625 O THR A 43 11.738 -5.922 -4.138 1.00 1.23 O ATOM 626 CB THR A 43 13.796 -4.544 -5.530 1.00 0.77 C ATOM 627 OG1 THR A 43 14.350 -5.601 -4.774 1.00 0.87 O ATOM 628 CG2 THR A 43 13.609 -3.331 -4.615 1.00 0.96 C ATOM 0 H THR A 43 11.468 -3.197 -6.463 1.00 0.45 H new ATOM 0 HA THR A 43 12.790 -5.828 -6.866 1.00 0.57 H new ATOM 0 HB THR A 43 14.470 -4.249 -6.334 1.00 0.77 H new ATOM 0 HG1 THR A 43 13.654 -6.000 -4.210 1.00 0.87 H new ATOM 0 HG21 THR A 43 14.564 -3.066 -4.162 1.00 0.96 H new ATOM 0 HG22 THR A 43 13.238 -2.489 -5.199 1.00 0.96 H new ATOM 0 HG23 THR A 43 12.891 -3.573 -3.832 1.00 0.96 H new ATOM 636 N GLU A 44 10.197 -5.708 -5.777 1.00 0.40 N ATOM 637 CA GLU A 44 9.095 -6.378 -5.097 1.00 0.43 C ATOM 638 C GLU A 44 8.869 -5.891 -3.656 1.00 0.50 C ATOM 639 O GLU A 44 8.720 -6.676 -2.719 1.00 0.78 O ATOM 640 CB GLU A 44 9.279 -7.897 -5.213 1.00 0.48 C ATOM 641 CG GLU A 44 8.597 -8.490 -6.458 1.00 0.86 C ATOM 642 CD GLU A 44 7.990 -9.859 -6.165 1.00 1.80 C ATOM 643 OE1 GLU A 44 7.188 -9.921 -5.203 1.00 3.30 O ATOM 644 OE2 GLU A 44 8.320 -10.802 -6.914 1.00 1.94 O ATOM 0 H GLU A 44 9.935 -5.341 -6.692 1.00 0.40 H new ATOM 0 HA GLU A 44 8.167 -6.106 -5.600 1.00 0.43 H new ATOM 0 HB2 GLU A 44 10.344 -8.127 -5.244 1.00 0.48 H new ATOM 0 HB3 GLU A 44 8.875 -8.376 -4.321 1.00 0.48 H new ATOM 0 HG2 GLU A 44 7.817 -7.812 -6.805 1.00 0.86 H new ATOM 0 HG3 GLU A 44 9.324 -8.579 -7.265 1.00 0.86 H new ATOM 651 N THR A 45 8.748 -4.580 -3.489 1.00 0.39 N ATOM 652 CA THR A 45 8.440 -3.937 -2.229 1.00 0.43 C ATOM 653 C THR A 45 7.311 -2.929 -2.447 1.00 0.32 C ATOM 654 O THR A 45 7.079 -2.488 -3.570 1.00 0.35 O ATOM 655 CB THR A 45 9.705 -3.239 -1.706 1.00 0.65 C ATOM 656 OG1 THR A 45 10.716 -3.104 -2.688 1.00 2.09 O ATOM 657 CG2 THR A 45 10.297 -3.997 -0.517 1.00 1.11 C ATOM 0 H THR A 45 8.867 -3.918 -4.256 1.00 0.39 H new ATOM 0 HA THR A 45 8.114 -4.671 -1.492 1.00 0.43 H new ATOM 0 HB THR A 45 9.381 -2.242 -1.407 1.00 0.65 H new ATOM 0 HG1 THR A 45 10.327 -2.739 -3.510 1.00 2.09 H new ATOM 0 HG21 THR A 45 11.191 -3.482 -0.166 1.00 1.11 H new ATOM 0 HG22 THR A 45 9.564 -4.041 0.288 1.00 1.11 H new ATOM 0 HG23 THR A 45 10.559 -5.009 -0.825 1.00 1.11 H new ATOM 665 N VAL A 46 6.635 -2.527 -1.370 1.00 0.32 N ATOM 666 CA VAL A 46 5.719 -1.398 -1.360 1.00 0.29 C ATOM 667 C VAL A 46 6.066 -0.529 -0.153 1.00 0.27 C ATOM 668 O VAL A 46 6.309 -1.073 0.926 1.00 0.29 O ATOM 669 CB VAL A 46 4.259 -1.893 -1.387 1.00 0.28 C ATOM 670 CG1 VAL A 46 3.913 -2.850 -0.240 1.00 0.35 C ATOM 671 CG2 VAL A 46 3.278 -0.718 -1.372 1.00 0.35 C ATOM 0 H VAL A 46 6.714 -2.990 -0.465 1.00 0.32 H new ATOM 0 HA VAL A 46 5.824 -0.782 -2.253 1.00 0.29 H new ATOM 0 HB VAL A 46 4.162 -2.451 -2.318 1.00 0.28 H new ATOM 0 HG11 VAL A 46 2.870 -3.156 -0.324 1.00 0.35 H new ATOM 0 HG12 VAL A 46 4.555 -3.729 -0.293 1.00 0.35 H new ATOM 0 HG13 VAL A 46 4.067 -2.346 0.714 1.00 0.35 H new ATOM 0 HG21 VAL A 46 2.256 -1.097 -1.392 1.00 0.35 H new ATOM 0 HG22 VAL A 46 3.429 -0.129 -0.467 1.00 0.35 H new ATOM 0 HG23 VAL A 46 3.449 -0.090 -2.246 1.00 0.35 H new ATOM 681 N ASN A 47 6.133 0.797 -0.344 1.00 0.29 N ATOM 682 CA ASN A 47 6.401 1.757 0.719 1.00 0.30 C ATOM 683 C ASN A 47 5.254 2.756 0.770 1.00 0.36 C ATOM 684 O ASN A 47 4.965 3.377 -0.250 1.00 0.59 O ATOM 685 CB ASN A 47 7.707 2.518 0.458 1.00 0.31 C ATOM 686 CG ASN A 47 8.954 1.751 0.870 1.00 0.32 C ATOM 687 OD1 ASN A 47 9.743 1.326 0.030 1.00 0.35 O ATOM 688 ND2 ASN A 47 9.169 1.609 2.173 1.00 0.34 N ATOM 0 H ASN A 47 6.000 1.231 -1.257 1.00 0.29 H new ATOM 0 HA ASN A 47 6.495 1.219 1.662 1.00 0.30 H new ATOM 0 HB2 ASN A 47 7.772 2.757 -0.604 1.00 0.31 H new ATOM 0 HB3 ASN A 47 7.679 3.465 0.997 1.00 0.31 H new ATOM 0 HD21 ASN A 47 10.010 1.135 2.502 1.00 0.34 H new ATOM 0 HD22 ASN A 47 8.493 1.974 2.844 1.00 0.34 H new ATOM 695 N VAL A 48 4.632 2.960 1.934 1.00 0.22 N ATOM 696 CA VAL A 48 3.490 3.843 2.085 1.00 0.27 C ATOM 697 C VAL A 48 3.860 4.804 3.204 1.00 0.23 C ATOM 698 O VAL A 48 4.354 4.364 4.247 1.00 0.21 O ATOM 699 CB VAL A 48 2.210 3.051 2.396 1.00 0.34 C ATOM 700 CG1 VAL A 48 1.003 3.996 2.471 1.00 2.21 C ATOM 701 CG2 VAL A 48 1.930 1.977 1.337 1.00 1.85 C ATOM 0 H VAL A 48 4.916 2.508 2.803 1.00 0.22 H new ATOM 0 HA VAL A 48 3.272 4.385 1.165 1.00 0.27 H new ATOM 0 HB VAL A 48 2.365 2.560 3.357 1.00 0.34 H new ATOM 0 HG11 VAL A 48 0.104 3.421 2.692 1.00 2.21 H new ATOM 0 HG12 VAL A 48 1.166 4.732 3.258 1.00 2.21 H new ATOM 0 HG13 VAL A 48 0.881 4.507 1.516 1.00 2.21 H new ATOM 0 HG21 VAL A 48 1.017 1.441 1.595 1.00 1.85 H new ATOM 0 HG22 VAL A 48 1.810 2.450 0.362 1.00 1.85 H new ATOM 0 HG23 VAL A 48 2.764 1.276 1.300 1.00 1.85 H new ATOM 711 N ILE A 49 3.665 6.099 2.949 1.00 0.26 N ATOM 712 CA ILE A 49 4.029 7.187 3.826 1.00 0.27 C ATOM 713 C ILE A 49 2.740 7.718 4.471 1.00 0.23 C ATOM 714 O ILE A 49 1.981 8.473 3.844 1.00 0.25 O ATOM 715 CB ILE A 49 4.762 8.294 3.035 1.00 0.38 C ATOM 716 CG1 ILE A 49 5.772 7.775 1.993 1.00 0.49 C ATOM 717 CG2 ILE A 49 5.426 9.274 4.012 1.00 0.47 C ATOM 718 CD1 ILE A 49 6.867 6.881 2.574 1.00 0.42 C ATOM 0 H ILE A 49 3.229 6.420 2.085 1.00 0.26 H new ATOM 0 HA ILE A 49 4.714 6.845 4.602 1.00 0.27 H new ATOM 0 HB ILE A 49 4.000 8.808 2.449 1.00 0.38 H new ATOM 0 HG12 ILE A 49 5.233 7.219 1.226 1.00 0.49 H new ATOM 0 HG13 ILE A 49 6.238 8.628 1.499 1.00 0.49 H new ATOM 0 HG21 ILE A 49 5.942 10.053 3.451 1.00 0.47 H new ATOM 0 HG22 ILE A 49 4.664 9.727 4.646 1.00 0.47 H new ATOM 0 HG23 ILE A 49 6.144 8.738 4.633 1.00 0.47 H new ATOM 0 HD11 ILE A 49 7.535 6.559 1.776 1.00 0.42 H new ATOM 0 HD12 ILE A 49 7.434 7.438 3.319 1.00 0.42 H new ATOM 0 HD13 ILE A 49 6.413 6.007 3.042 1.00 0.42 H new ATOM 730 N TYR A 50 2.468 7.307 5.713 1.00 0.24 N ATOM 731 CA TYR A 50 1.224 7.641 6.400 1.00 0.26 C ATOM 732 C TYR A 50 1.477 7.972 7.857 1.00 0.27 C ATOM 733 O TYR A 50 2.586 7.778 8.343 1.00 0.32 O ATOM 734 CB TYR A 50 0.213 6.499 6.275 1.00 0.26 C ATOM 735 CG TYR A 50 0.591 5.189 6.929 1.00 0.27 C ATOM 736 CD1 TYR A 50 0.253 4.955 8.271 1.00 1.84 C ATOM 737 CD2 TYR A 50 1.155 4.153 6.164 1.00 2.03 C ATOM 738 CE1 TYR A 50 0.508 3.703 8.845 1.00 1.73 C ATOM 739 CE2 TYR A 50 1.237 2.856 6.694 1.00 2.17 C ATOM 740 CZ TYR A 50 0.880 2.624 8.033 1.00 0.52 C ATOM 741 OH TYR A 50 0.955 1.373 8.570 1.00 0.68 O ATOM 0 H TYR A 50 3.105 6.734 6.267 1.00 0.24 H new ATOM 0 HA TYR A 50 0.805 8.526 5.921 1.00 0.26 H new ATOM 0 HB2 TYR A 50 -0.733 6.833 6.701 1.00 0.26 H new ATOM 0 HB3 TYR A 50 0.037 6.313 5.215 1.00 0.26 H new ATOM 0 HD1 TYR A 50 -0.202 5.738 8.859 1.00 1.84 H new ATOM 0 HD2 TYR A 50 1.525 4.355 5.170 1.00 2.03 H new ATOM 0 HE1 TYR A 50 0.418 3.570 9.913 1.00 1.73 H new ATOM 0 HE2 TYR A 50 1.574 2.038 6.074 1.00 2.17 H new ATOM 0 HH TYR A 50 1.225 0.735 7.877 1.00 0.68 H new ATOM 751 N ASP A 51 0.444 8.464 8.537 1.00 0.33 N ATOM 752 CA ASP A 51 0.484 8.772 9.958 1.00 0.45 C ATOM 753 C ASP A 51 0.077 7.532 10.755 1.00 0.44 C ATOM 754 O ASP A 51 -1.114 7.210 10.770 1.00 0.45 O ATOM 755 CB ASP A 51 -0.478 9.925 10.267 1.00 0.62 C ATOM 756 CG ASP A 51 -0.558 10.209 11.764 1.00 2.07 C ATOM 757 OD1 ASP A 51 0.225 9.594 12.523 1.00 3.22 O ATOM 758 OD2 ASP A 51 -1.418 11.032 12.137 1.00 2.69 O ATOM 0 H ASP A 51 -0.459 8.662 8.105 1.00 0.33 H new ATOM 0 HA ASP A 51 1.495 9.069 10.237 1.00 0.45 H new ATOM 0 HB2 ASP A 51 -0.150 10.823 9.744 1.00 0.62 H new ATOM 0 HB3 ASP A 51 -1.471 9.681 9.889 1.00 0.62 H new ATOM 763 N PRO A 52 1.009 6.840 11.436 1.00 0.55 N ATOM 764 CA PRO A 52 0.684 5.647 12.196 1.00 0.64 C ATOM 765 C PRO A 52 -0.107 5.951 13.477 1.00 0.75 C ATOM 766 O PRO A 52 -0.362 5.029 14.249 1.00 0.87 O ATOM 767 CB PRO A 52 2.024 4.968 12.481 1.00 0.77 C ATOM 768 CG PRO A 52 2.966 6.165 12.611 1.00 0.81 C ATOM 769 CD PRO A 52 2.427 7.140 11.562 1.00 0.64 C ATOM 0 HA PRO A 52 0.019 4.993 11.632 1.00 0.64 H new ATOM 0 HB2 PRO A 52 1.993 4.372 13.393 1.00 0.77 H new ATOM 0 HB3 PRO A 52 2.323 4.300 11.673 1.00 0.77 H new ATOM 0 HG2 PRO A 52 2.939 6.594 13.613 1.00 0.81 H new ATOM 0 HG3 PRO A 52 4.001 5.888 12.411 1.00 0.81 H new ATOM 0 HD2 PRO A 52 2.582 8.173 11.872 1.00 0.64 H new ATOM 0 HD3 PRO A 52 2.940 7.012 10.609 1.00 0.64 H new ATOM 777 N ALA A 53 -0.503 7.208 13.725 1.00 0.78 N ATOM 778 CA ALA A 53 -1.480 7.526 14.746 1.00 0.90 C ATOM 779 C ALA A 53 -2.881 7.414 14.151 1.00 0.75 C ATOM 780 O ALA A 53 -3.812 7.068 14.876 1.00 0.89 O ATOM 781 CB ALA A 53 -1.242 8.945 15.263 1.00 1.08 C ATOM 0 H ALA A 53 -0.150 8.021 13.220 1.00 0.78 H new ATOM 0 HA ALA A 53 -1.384 6.828 15.578 1.00 0.90 H new ATOM 0 HB1 ALA A 53 -1.979 9.181 16.031 1.00 1.08 H new ATOM 0 HB2 ALA A 53 -0.240 9.014 15.688 1.00 1.08 H new ATOM 0 HB3 ALA A 53 -1.337 9.653 14.440 1.00 1.08 H new ATOM 787 N GLU A 54 -3.034 7.745 12.858 1.00 0.53 N ATOM 788 CA GLU A 54 -4.337 7.900 12.232 1.00 0.49 C ATOM 789 C GLU A 54 -4.659 6.678 11.367 1.00 0.40 C ATOM 790 O GLU A 54 -5.656 5.996 11.602 1.00 0.54 O ATOM 791 CB GLU A 54 -4.433 9.237 11.475 1.00 0.66 C ATOM 792 CG GLU A 54 -5.890 9.723 11.449 1.00 0.65 C ATOM 793 CD GLU A 54 -6.083 10.987 10.620 1.00 1.47 C ATOM 794 OE1 GLU A 54 -6.002 10.870 9.377 1.00 2.54 O ATOM 795 OE2 GLU A 54 -6.344 12.041 11.238 1.00 2.68 O ATOM 0 H GLU A 54 -2.251 7.911 12.226 1.00 0.53 H new ATOM 0 HA GLU A 54 -5.106 7.944 13.004 1.00 0.49 H new ATOM 0 HB2 GLU A 54 -3.801 9.983 11.956 1.00 0.66 H new ATOM 0 HB3 GLU A 54 -4.063 9.115 10.457 1.00 0.66 H new ATOM 0 HG2 GLU A 54 -6.524 8.932 11.048 1.00 0.65 H new ATOM 0 HG3 GLU A 54 -6.223 9.911 12.470 1.00 0.65 H new ATOM 802 N THR A 55 -3.788 6.372 10.401 1.00 0.35 N ATOM 803 CA THR A 55 -3.646 5.032 9.854 1.00 0.42 C ATOM 804 C THR A 55 -2.719 4.137 10.659 1.00 0.43 C ATOM 805 O THR A 55 -2.243 4.479 11.734 1.00 0.44 O ATOM 806 CB THR A 55 -3.508 4.963 8.316 1.00 0.47 C ATOM 807 OG1 THR A 55 -2.978 6.165 7.827 1.00 0.56 O ATOM 808 CG2 THR A 55 -4.899 4.845 7.695 1.00 0.51 C ATOM 0 H THR A 55 -3.161 7.056 9.978 1.00 0.35 H new ATOM 0 HA THR A 55 -4.621 4.566 9.998 1.00 0.42 H new ATOM 0 HB THR A 55 -2.869 4.115 8.070 1.00 0.47 H new ATOM 0 HG1 THR A 55 -2.892 6.112 6.852 1.00 0.56 H new ATOM 0 HG21 THR A 55 -4.810 4.796 6.610 1.00 0.51 H new ATOM 0 HG22 THR A 55 -5.385 3.940 8.061 1.00 0.51 H new ATOM 0 HG23 THR A 55 -5.496 5.714 7.971 1.00 0.51 H new ATOM 816 N GLY A 56 -2.573 2.928 10.139 1.00 0.64 N ATOM 817 CA GLY A 56 -1.892 1.788 10.680 1.00 0.70 C ATOM 818 C GLY A 56 -2.073 0.737 9.596 1.00 1.10 C ATOM 819 O GLY A 56 -2.171 1.063 8.414 1.00 2.53 O ATOM 0 H GLY A 56 -2.977 2.711 9.228 1.00 0.64 H new ATOM 0 HA2 GLY A 56 -0.839 1.998 10.867 1.00 0.70 H new ATOM 0 HA3 GLY A 56 -2.327 1.470 11.628 1.00 0.70 H new ATOM 823 N THR A 57 -2.236 -0.511 9.998 1.00 0.67 N ATOM 824 CA THR A 57 -2.534 -1.621 9.122 1.00 0.84 C ATOM 825 C THR A 57 -3.982 -1.495 8.661 1.00 0.63 C ATOM 826 O THR A 57 -4.291 -1.747 7.502 1.00 0.64 O ATOM 827 CB THR A 57 -2.294 -2.893 9.936 1.00 1.39 C ATOM 828 OG1 THR A 57 -2.943 -2.741 11.188 1.00 1.59 O ATOM 829 CG2 THR A 57 -0.790 -3.065 10.180 1.00 1.60 C ATOM 0 H THR A 57 -2.161 -0.785 10.978 1.00 0.67 H new ATOM 0 HA THR A 57 -1.908 -1.641 8.230 1.00 0.84 H new ATOM 0 HB THR A 57 -2.679 -3.761 9.401 1.00 1.39 H new ATOM 0 HG1 THR A 57 -2.804 -3.547 11.728 1.00 1.59 H new ATOM 0 HG21 THR A 57 -0.617 -3.971 10.760 1.00 1.60 H new ATOM 0 HG22 THR A 57 -0.273 -3.142 9.224 1.00 1.60 H new ATOM 0 HG23 THR A 57 -0.410 -2.204 10.730 1.00 1.60 H new ATOM 837 N ALA A 58 -4.854 -1.099 9.595 1.00 0.65 N ATOM 838 CA ALA A 58 -6.301 -1.103 9.475 1.00 0.73 C ATOM 839 C ALA A 58 -6.812 -0.696 8.101 1.00 0.66 C ATOM 840 O ALA A 58 -7.463 -1.483 7.413 1.00 0.73 O ATOM 841 CB ALA A 58 -6.903 -0.219 10.573 1.00 0.81 C ATOM 0 H ALA A 58 -4.543 -0.749 10.501 1.00 0.65 H new ATOM 0 HA ALA A 58 -6.628 -2.135 9.602 1.00 0.73 H new ATOM 0 HB1 ALA A 58 -7.990 -0.220 10.486 1.00 0.81 H new ATOM 0 HB2 ALA A 58 -6.617 -0.608 11.550 1.00 0.81 H new ATOM 0 HB3 ALA A 58 -6.531 0.800 10.465 1.00 0.81 H new ATOM 847 N ALA A 59 -6.523 0.542 7.706 1.00 0.57 N ATOM 848 CA ALA A 59 -7.186 1.083 6.517 1.00 0.54 C ATOM 849 C ALA A 59 -6.613 0.411 5.284 1.00 0.46 C ATOM 850 O ALA A 59 -7.323 0.044 4.346 1.00 0.45 O ATOM 851 CB ALA A 59 -7.036 2.596 6.413 1.00 0.60 C ATOM 0 H ALA A 59 -5.863 1.169 8.167 1.00 0.57 H new ATOM 0 HA ALA A 59 -8.253 0.876 6.597 1.00 0.54 H new ATOM 0 HB1 ALA A 59 -7.544 2.951 5.516 1.00 0.60 H new ATOM 0 HB2 ALA A 59 -7.479 3.067 7.291 1.00 0.60 H new ATOM 0 HB3 ALA A 59 -5.978 2.854 6.357 1.00 0.60 H new ATOM 857 N ILE A 60 -5.291 0.273 5.323 1.00 0.47 N ATOM 858 CA ILE A 60 -4.511 -0.369 4.303 1.00 0.45 C ATOM 859 C ILE A 60 -5.050 -1.756 4.021 1.00 0.47 C ATOM 860 O ILE A 60 -5.378 -2.012 2.876 1.00 0.47 O ATOM 861 CB ILE A 60 -3.026 -0.315 4.705 1.00 0.46 C ATOM 862 CG1 ILE A 60 -2.475 1.048 4.267 1.00 0.44 C ATOM 863 CG2 ILE A 60 -2.194 -1.439 4.079 1.00 0.51 C ATOM 864 CD1 ILE A 60 -2.287 2.046 5.412 1.00 0.79 C ATOM 0 H ILE A 60 -4.726 0.621 6.098 1.00 0.47 H new ATOM 0 HA ILE A 60 -4.590 0.156 3.351 1.00 0.45 H new ATOM 0 HB ILE A 60 -2.955 -0.450 5.784 1.00 0.46 H new ATOM 0 HG12 ILE A 60 -1.517 0.897 3.770 1.00 0.44 H new ATOM 0 HG13 ILE A 60 -3.151 1.481 3.530 1.00 0.44 H new ATOM 0 HG21 ILE A 60 -1.157 -1.346 4.400 1.00 0.51 H new ATOM 0 HG22 ILE A 60 -2.588 -2.404 4.398 1.00 0.51 H new ATOM 0 HG23 ILE A 60 -2.245 -1.368 2.993 1.00 0.51 H new ATOM 0 HD11 ILE A 60 -1.894 2.983 5.017 1.00 0.79 H new ATOM 0 HD12 ILE A 60 -3.246 2.230 5.896 1.00 0.79 H new ATOM 0 HD13 ILE A 60 -1.586 1.637 6.140 1.00 0.79 H new ATOM 876 N GLN A 61 -5.172 -2.635 5.016 1.00 0.51 N ATOM 877 CA GLN A 61 -5.661 -3.986 4.779 1.00 0.58 C ATOM 878 C GLN A 61 -7.077 -3.938 4.187 1.00 0.56 C ATOM 879 O GLN A 61 -7.345 -4.603 3.187 1.00 0.56 O ATOM 880 CB GLN A 61 -5.590 -4.833 6.060 1.00 0.69 C ATOM 881 CG GLN A 61 -4.682 -6.074 5.943 1.00 0.74 C ATOM 882 CD GLN A 61 -3.483 -6.014 6.886 1.00 0.99 C ATOM 883 OE1 GLN A 61 -3.279 -6.903 7.704 1.00 1.50 O ATOM 884 NE2 GLN A 61 -2.672 -4.965 6.788 1.00 0.96 N ATOM 0 H GLN A 61 -4.939 -2.433 5.988 1.00 0.51 H new ATOM 0 HA GLN A 61 -5.015 -4.474 4.049 1.00 0.58 H new ATOM 0 HB2 GLN A 61 -5.230 -4.208 6.877 1.00 0.69 H new ATOM 0 HB3 GLN A 61 -6.597 -5.156 6.326 1.00 0.69 H new ATOM 0 HG2 GLN A 61 -5.266 -6.969 6.160 1.00 0.74 H new ATOM 0 HG3 GLN A 61 -4.328 -6.165 4.916 1.00 0.74 H new ATOM 0 HE21 GLN A 61 -2.861 -4.237 6.100 1.00 0.96 H new ATOM 0 HE22 GLN A 61 -1.861 -4.889 7.401 1.00 0.96 H new ATOM 893 N GLU A 62 -7.961 -3.124 4.780 1.00 0.55 N ATOM 894 CA GLU A 62 -9.324 -2.926 4.285 1.00 0.56 C ATOM 895 C GLU A 62 -9.320 -2.666 2.775 1.00 0.51 C ATOM 896 O GLU A 62 -9.946 -3.371 1.982 1.00 0.51 O ATOM 897 CB GLU A 62 -9.980 -1.750 5.041 1.00 0.59 C ATOM 898 CG GLU A 62 -11.182 -2.196 5.880 1.00 0.94 C ATOM 899 CD GLU A 62 -12.361 -2.608 5.011 1.00 2.03 C ATOM 900 OE1 GLU A 62 -12.664 -1.855 4.056 1.00 2.91 O ATOM 901 OE2 GLU A 62 -12.935 -3.679 5.300 1.00 2.72 O ATOM 0 H GLU A 62 -7.747 -2.584 5.619 1.00 0.55 H new ATOM 0 HA GLU A 62 -9.903 -3.832 4.464 1.00 0.56 H new ATOM 0 HB2 GLU A 62 -9.241 -1.281 5.690 1.00 0.59 H new ATOM 0 HB3 GLU A 62 -10.301 -0.994 4.324 1.00 0.59 H new ATOM 0 HG2 GLU A 62 -10.890 -3.032 6.516 1.00 0.94 H new ATOM 0 HG3 GLU A 62 -11.485 -1.384 6.541 1.00 0.94 H new ATOM 908 N LYS A 63 -8.600 -1.625 2.369 1.00 0.47 N ATOM 909 CA LYS A 63 -8.547 -1.208 0.996 1.00 0.47 C ATOM 910 C LYS A 63 -7.782 -2.193 0.122 1.00 0.42 C ATOM 911 O LYS A 63 -8.218 -2.449 -0.993 1.00 0.44 O ATOM 912 CB LYS A 63 -7.961 0.193 0.977 1.00 0.49 C ATOM 913 CG LYS A 63 -9.026 1.239 1.328 1.00 0.55 C ATOM 914 CD LYS A 63 -10.102 1.449 0.246 1.00 0.73 C ATOM 915 CE LYS A 63 -11.367 0.588 0.434 1.00 1.99 C ATOM 916 NZ LYS A 63 -12.602 1.396 0.495 1.00 2.65 N ATOM 0 H LYS A 63 -8.038 -1.051 2.998 1.00 0.47 H new ATOM 0 HA LYS A 63 -9.547 -1.191 0.562 1.00 0.47 H new ATOM 0 HB2 LYS A 63 -7.137 0.256 1.687 1.00 0.49 H new ATOM 0 HB3 LYS A 63 -7.549 0.405 -0.009 1.00 0.49 H new ATOM 0 HG2 LYS A 63 -9.516 0.942 2.255 1.00 0.55 H new ATOM 0 HG3 LYS A 63 -8.531 2.191 1.519 1.00 0.55 H new ATOM 0 HD2 LYS A 63 -10.390 2.500 0.236 1.00 0.73 H new ATOM 0 HD3 LYS A 63 -9.668 1.228 -0.729 1.00 0.73 H new ATOM 0 HE2 LYS A 63 -11.443 -0.123 -0.389 1.00 1.99 H new ATOM 0 HE3 LYS A 63 -11.273 0.006 1.351 1.00 1.99 H new ATOM 0 HZ1 LYS A 63 -13.422 0.768 0.622 1.00 2.65 H new ATOM 0 HZ2 LYS A 63 -12.545 2.057 1.296 1.00 2.65 H new ATOM 0 HZ3 LYS A 63 -12.710 1.932 -0.390 1.00 2.65 H new ATOM 930 N ILE A 64 -6.677 -2.753 0.613 1.00 0.39 N ATOM 931 CA ILE A 64 -5.897 -3.779 -0.048 1.00 0.40 C ATOM 932 C ILE A 64 -6.877 -4.871 -0.525 1.00 0.43 C ATOM 933 O ILE A 64 -6.911 -5.227 -1.704 1.00 0.47 O ATOM 934 CB ILE A 64 -4.847 -4.301 0.946 1.00 0.44 C ATOM 935 CG1 ILE A 64 -3.542 -3.498 0.861 1.00 0.46 C ATOM 936 CG2 ILE A 64 -4.590 -5.800 0.869 1.00 0.47 C ATOM 937 CD1 ILE A 64 -2.646 -3.938 -0.295 1.00 0.53 C ATOM 0 H ILE A 64 -6.292 -2.488 1.519 1.00 0.39 H new ATOM 0 HA ILE A 64 -5.358 -3.407 -0.919 1.00 0.40 H new ATOM 0 HB ILE A 64 -5.287 -4.142 1.931 1.00 0.44 H new ATOM 0 HG12 ILE A 64 -3.779 -2.440 0.748 1.00 0.46 H new ATOM 0 HG13 ILE A 64 -2.995 -3.603 1.798 1.00 0.46 H new ATOM 0 HG21 ILE A 64 -3.836 -6.078 1.605 1.00 0.47 H new ATOM 0 HG22 ILE A 64 -5.515 -6.339 1.075 1.00 0.47 H new ATOM 0 HG23 ILE A 64 -4.235 -6.057 -0.129 1.00 0.47 H new ATOM 0 HD11 ILE A 64 -1.739 -3.334 -0.303 1.00 0.53 H new ATOM 0 HD12 ILE A 64 -2.381 -4.988 -0.171 1.00 0.53 H new ATOM 0 HD13 ILE A 64 -3.177 -3.807 -1.238 1.00 0.53 H new ATOM 949 N GLU A 65 -7.708 -5.352 0.410 1.00 0.46 N ATOM 950 CA GLU A 65 -8.739 -6.348 0.159 1.00 0.51 C ATOM 951 C GLU A 65 -9.752 -5.837 -0.864 1.00 0.53 C ATOM 952 O GLU A 65 -9.950 -6.466 -1.899 1.00 0.59 O ATOM 953 CB GLU A 65 -9.434 -6.721 1.476 1.00 0.54 C ATOM 954 CG GLU A 65 -8.584 -7.668 2.333 1.00 0.61 C ATOM 955 CD GLU A 65 -8.900 -9.132 2.043 1.00 0.90 C ATOM 956 OE1 GLU A 65 -9.016 -9.465 0.844 1.00 1.30 O ATOM 957 OE2 GLU A 65 -9.059 -9.882 3.030 1.00 1.92 O ATOM 0 H GLU A 65 -7.675 -5.047 1.383 1.00 0.46 H new ATOM 0 HA GLU A 65 -8.270 -7.240 -0.256 1.00 0.51 H new ATOM 0 HB2 GLU A 65 -9.647 -5.814 2.042 1.00 0.54 H new ATOM 0 HB3 GLU A 65 -10.392 -7.193 1.258 1.00 0.54 H new ATOM 0 HG2 GLU A 65 -7.527 -7.480 2.143 1.00 0.61 H new ATOM 0 HG3 GLU A 65 -8.760 -7.460 3.388 1.00 0.61 H new ATOM 964 N LYS A 66 -10.411 -4.703 -0.598 1.00 0.52 N ATOM 965 CA LYS A 66 -11.446 -4.192 -1.500 1.00 0.58 C ATOM 966 C LYS A 66 -10.924 -3.981 -2.929 1.00 0.62 C ATOM 967 O LYS A 66 -11.648 -4.219 -3.893 1.00 0.73 O ATOM 968 CB LYS A 66 -12.068 -2.897 -0.953 1.00 0.62 C ATOM 969 CG LYS A 66 -13.315 -3.146 -0.091 1.00 0.63 C ATOM 970 CD LYS A 66 -12.955 -3.634 1.316 1.00 2.30 C ATOM 971 CE LYS A 66 -14.202 -3.924 2.160 1.00 3.01 C ATOM 972 NZ LYS A 66 -14.827 -5.216 1.823 1.00 4.01 N ATOM 0 H LYS A 66 -10.247 -4.127 0.228 1.00 0.52 H new ATOM 0 HA LYS A 66 -12.222 -4.955 -1.550 1.00 0.58 H new ATOM 0 HB2 LYS A 66 -11.324 -2.366 -0.360 1.00 0.62 H new ATOM 0 HB3 LYS A 66 -12.334 -2.248 -1.787 1.00 0.62 H new ATOM 0 HG2 LYS A 66 -13.894 -2.226 -0.018 1.00 0.63 H new ATOM 0 HG3 LYS A 66 -13.951 -3.885 -0.579 1.00 0.63 H new ATOM 0 HD2 LYS A 66 -12.349 -4.537 1.243 1.00 2.30 H new ATOM 0 HD3 LYS A 66 -12.346 -2.881 1.816 1.00 2.30 H new ATOM 0 HE2 LYS A 66 -13.931 -3.920 3.216 1.00 3.01 H new ATOM 0 HE3 LYS A 66 -14.928 -3.124 2.015 1.00 3.01 H new ATOM 0 HZ1 LYS A 66 -15.665 -5.363 2.422 1.00 4.01 H new ATOM 0 HZ2 LYS A 66 -15.112 -5.213 0.823 1.00 4.01 H new ATOM 0 HZ3 LYS A 66 -14.146 -5.984 1.986 1.00 4.01 H new ATOM 986 N LEU A 67 -9.682 -3.521 -3.068 1.00 0.58 N ATOM 987 CA LEU A 67 -9.008 -3.342 -4.346 1.00 0.63 C ATOM 988 C LEU A 67 -8.673 -4.687 -5.007 1.00 0.65 C ATOM 989 O LEU A 67 -8.407 -4.723 -6.205 1.00 0.74 O ATOM 990 CB LEU A 67 -7.756 -2.472 -4.150 1.00 0.61 C ATOM 991 CG LEU A 67 -8.117 -0.986 -3.962 1.00 0.73 C ATOM 992 CD1 LEU A 67 -7.047 -0.258 -3.142 1.00 0.75 C ATOM 993 CD2 LEU A 67 -8.273 -0.298 -5.326 1.00 0.88 C ATOM 0 H LEU A 67 -9.104 -3.256 -2.271 1.00 0.58 H new ATOM 0 HA LEU A 67 -9.685 -2.828 -5.029 1.00 0.63 H new ATOM 0 HB2 LEU A 67 -7.201 -2.824 -3.281 1.00 0.61 H new ATOM 0 HB3 LEU A 67 -7.099 -2.580 -5.013 1.00 0.61 H new ATOM 0 HG LEU A 67 -9.062 -0.939 -3.422 1.00 0.73 H new ATOM 0 HD11 LEU A 67 -7.328 0.789 -3.025 1.00 0.75 H new ATOM 0 HD12 LEU A 67 -6.962 -0.723 -2.160 1.00 0.75 H new ATOM 0 HD13 LEU A 67 -6.088 -0.321 -3.657 1.00 0.75 H new ATOM 0 HD21 LEU A 67 -8.528 0.751 -5.177 1.00 0.88 H new ATOM 0 HD22 LEU A 67 -7.336 -0.369 -5.879 1.00 0.88 H new ATOM 0 HD23 LEU A 67 -9.066 -0.787 -5.892 1.00 0.88 H new ATOM 1005 N GLY A 68 -8.679 -5.783 -4.243 1.00 0.62 N ATOM 1006 CA GLY A 68 -8.499 -7.135 -4.746 1.00 0.70 C ATOM 1007 C GLY A 68 -7.029 -7.532 -4.729 1.00 0.63 C ATOM 1008 O GLY A 68 -6.530 -8.086 -5.707 1.00 0.64 O ATOM 0 H GLY A 68 -8.813 -5.746 -3.233 1.00 0.62 H new ATOM 0 HA2 GLY A 68 -9.075 -7.833 -4.138 1.00 0.70 H new ATOM 0 HA3 GLY A 68 -8.886 -7.203 -5.763 1.00 0.70 H new ATOM 1012 N TYR A 69 -6.332 -7.249 -3.625 1.00 0.57 N ATOM 1013 CA TYR A 69 -4.911 -7.522 -3.468 1.00 0.51 C ATOM 1014 C TYR A 69 -4.622 -8.094 -2.084 1.00 0.45 C ATOM 1015 O TYR A 69 -5.506 -8.143 -1.233 1.00 0.48 O ATOM 1016 CB TYR A 69 -4.135 -6.222 -3.683 1.00 0.48 C ATOM 1017 CG TYR A 69 -3.320 -6.275 -4.948 1.00 0.52 C ATOM 1018 CD1 TYR A 69 -3.952 -6.097 -6.190 1.00 1.86 C ATOM 1019 CD2 TYR A 69 -1.947 -6.559 -4.891 1.00 1.69 C ATOM 1020 CE1 TYR A 69 -3.183 -6.044 -7.359 1.00 1.91 C ATOM 1021 CE2 TYR A 69 -1.174 -6.477 -6.057 1.00 1.67 C ATOM 1022 CZ TYR A 69 -1.790 -6.198 -7.292 1.00 0.64 C ATOM 1023 OH TYR A 69 -1.041 -6.008 -8.413 1.00 0.71 O ATOM 0 H TYR A 69 -6.753 -6.816 -2.803 1.00 0.57 H new ATOM 0 HA TYR A 69 -4.599 -8.263 -4.204 1.00 0.51 H new ATOM 0 HB2 TYR A 69 -4.831 -5.384 -3.731 1.00 0.48 H new ATOM 0 HB3 TYR A 69 -3.478 -6.043 -2.832 1.00 0.48 H new ATOM 0 HD1 TYR A 69 -5.026 -6.001 -6.243 1.00 1.86 H new ATOM 0 HD2 TYR A 69 -1.489 -6.839 -3.954 1.00 1.69 H new ATOM 0 HE1 TYR A 69 -3.663 -5.884 -8.313 1.00 1.91 H new ATOM 0 HE2 TYR A 69 -0.106 -6.628 -6.008 1.00 1.67 H new ATOM 0 HH TYR A 69 -1.383 -6.576 -9.135 1.00 0.71 H new ATOM 1033 N HIS A 70 -3.361 -8.479 -1.850 1.00 0.39 N ATOM 1034 CA HIS A 70 -2.874 -8.837 -0.528 1.00 0.36 C ATOM 1035 C HIS A 70 -1.436 -8.335 -0.372 1.00 0.33 C ATOM 1036 O HIS A 70 -0.586 -8.599 -1.226 1.00 0.51 O ATOM 1037 CB HIS A 70 -2.987 -10.352 -0.304 1.00 0.54 C ATOM 1038 CG HIS A 70 -3.220 -10.729 1.140 1.00 0.73 C ATOM 1039 ND1 HIS A 70 -2.588 -10.204 2.249 1.00 1.87 N ATOM 1040 CD2 HIS A 70 -4.183 -11.595 1.591 1.00 1.58 C ATOM 1041 CE1 HIS A 70 -3.170 -10.736 3.337 1.00 1.68 C ATOM 1042 NE2 HIS A 70 -4.138 -11.597 2.988 1.00 1.44 N ATOM 0 H HIS A 70 -2.653 -8.549 -2.581 1.00 0.39 H new ATOM 0 HA HIS A 70 -3.487 -8.360 0.237 1.00 0.36 H new ATOM 0 HB2 HIS A 70 -3.805 -10.741 -0.910 1.00 0.54 H new ATOM 0 HB3 HIS A 70 -2.074 -10.833 -0.655 1.00 0.54 H new ATOM 0 HD1 HIS A 70 -1.819 -9.534 2.244 1.00 1.87 H new ATOM 0 HD2 HIS A 70 -4.857 -12.173 0.976 1.00 1.58 H new ATOM 0 HE1 HIS A 70 -2.896 -10.502 4.355 1.00 1.68 H new ATOM 1050 N VAL A 71 -1.186 -7.603 0.717 1.00 0.42 N ATOM 1051 CA VAL A 71 0.142 -7.207 1.174 1.00 0.46 C ATOM 1052 C VAL A 71 0.678 -8.310 2.097 1.00 0.44 C ATOM 1053 O VAL A 71 -0.118 -8.984 2.752 1.00 0.51 O ATOM 1054 CB VAL A 71 0.063 -5.814 1.829 1.00 0.56 C ATOM 1055 CG1 VAL A 71 -0.844 -5.774 3.069 1.00 1.56 C ATOM 1056 CG2 VAL A 71 1.430 -5.248 2.221 1.00 1.28 C ATOM 0 H VAL A 71 -1.931 -7.260 1.323 1.00 0.42 H new ATOM 0 HA VAL A 71 0.849 -7.107 0.350 1.00 0.46 H new ATOM 0 HB VAL A 71 -0.371 -5.191 1.047 1.00 0.56 H new ATOM 0 HG11 VAL A 71 -0.854 -4.765 3.480 1.00 1.56 H new ATOM 0 HG12 VAL A 71 -1.857 -6.062 2.788 1.00 1.56 H new ATOM 0 HG13 VAL A 71 -0.465 -6.468 3.820 1.00 1.56 H new ATOM 0 HG21 VAL A 71 1.300 -4.266 2.676 1.00 1.28 H new ATOM 0 HG22 VAL A 71 1.910 -5.918 2.934 1.00 1.28 H new ATOM 0 HG23 VAL A 71 2.054 -5.156 1.332 1.00 1.28 H new ATOM 1066 N VAL A 72 1.999 -8.517 2.128 1.00 0.44 N ATOM 1067 CA VAL A 72 2.677 -9.506 2.959 1.00 0.46 C ATOM 1068 C VAL A 72 3.660 -8.779 3.880 1.00 0.47 C ATOM 1069 O VAL A 72 4.345 -7.837 3.472 1.00 0.46 O ATOM 1070 CB VAL A 72 3.404 -10.549 2.108 1.00 0.53 C ATOM 1071 CG1 VAL A 72 4.031 -11.665 2.958 1.00 0.64 C ATOM 1072 CG2 VAL A 72 2.501 -11.174 1.036 1.00 0.58 C ATOM 0 H VAL A 72 2.645 -7.978 1.552 1.00 0.44 H new ATOM 0 HA VAL A 72 1.936 -10.041 3.554 1.00 0.46 H new ATOM 0 HB VAL A 72 4.202 -9.999 1.608 1.00 0.53 H new ATOM 0 HG11 VAL A 72 4.535 -12.379 2.307 1.00 0.64 H new ATOM 0 HG12 VAL A 72 4.754 -11.233 3.650 1.00 0.64 H new ATOM 0 HG13 VAL A 72 3.250 -12.176 3.521 1.00 0.64 H new ATOM 0 HG21 VAL A 72 3.070 -11.906 0.463 1.00 0.58 H new ATOM 0 HG22 VAL A 72 1.655 -11.666 1.515 1.00 0.58 H new ATOM 0 HG23 VAL A 72 2.136 -10.394 0.368 1.00 0.58 H new ATOM 1082 N ILE A 73 3.707 -9.230 5.133 1.00 0.53 N ATOM 1083 CA ILE A 73 4.371 -8.551 6.236 1.00 0.60 C ATOM 1084 C ILE A 73 5.721 -9.220 6.512 1.00 0.82 C ATOM 1085 O ILE A 73 5.885 -9.935 7.497 1.00 0.91 O ATOM 1086 CB ILE A 73 3.445 -8.524 7.464 1.00 0.63 C ATOM 1087 CG1 ILE A 73 2.020 -8.058 7.110 1.00 0.94 C ATOM 1088 CG2 ILE A 73 4.041 -7.625 8.558 1.00 0.72 C ATOM 1089 CD1 ILE A 73 1.927 -6.681 6.446 1.00 0.85 C ATOM 0 H ILE A 73 3.268 -10.107 5.413 1.00 0.53 H new ATOM 0 HA ILE A 73 4.578 -7.513 5.977 1.00 0.60 H new ATOM 0 HB ILE A 73 3.369 -9.546 7.835 1.00 0.63 H new ATOM 0 HG12 ILE A 73 1.569 -8.795 6.445 1.00 0.94 H new ATOM 0 HG13 ILE A 73 1.423 -8.044 8.022 1.00 0.94 H new ATOM 0 HG21 ILE A 73 3.376 -7.614 9.422 1.00 0.72 H new ATOM 0 HG22 ILE A 73 5.016 -8.011 8.855 1.00 0.72 H new ATOM 0 HG23 ILE A 73 4.154 -6.611 8.174 1.00 0.72 H new ATOM 0 HD11 ILE A 73 0.883 -6.447 6.238 1.00 0.85 H new ATOM 0 HD12 ILE A 73 2.342 -5.926 7.114 1.00 0.85 H new ATOM 0 HD13 ILE A 73 2.490 -6.688 5.513 1.00 0.85 H new ATOM 1101 N GLU A 74 6.705 -8.960 5.648 1.00 1.04 N ATOM 1102 CA GLU A 74 8.038 -9.550 5.707 1.00 1.29 C ATOM 1103 C GLU A 74 8.943 -9.010 6.825 1.00 1.32 C ATOM 1104 O GLU A 74 10.116 -9.362 6.919 1.00 1.64 O ATOM 1105 CB GLU A 74 8.706 -9.465 4.336 1.00 1.61 C ATOM 1106 CG GLU A 74 8.768 -10.825 3.629 1.00 1.66 C ATOM 1107 CD GLU A 74 9.788 -11.747 4.289 1.00 2.15 C ATOM 1108 OE1 GLU A 74 10.992 -11.507 4.059 1.00 3.27 O ATOM 1109 OE2 GLU A 74 9.341 -12.662 5.015 1.00 2.64 O ATOM 0 H GLU A 74 6.590 -8.314 4.867 1.00 1.04 H new ATOM 0 HA GLU A 74 7.893 -10.596 5.978 1.00 1.29 H new ATOM 0 HB2 GLU A 74 8.159 -8.759 3.712 1.00 1.61 H new ATOM 0 HB3 GLU A 74 9.716 -9.072 4.451 1.00 1.61 H new ATOM 0 HG2 GLU A 74 7.784 -11.293 3.650 1.00 1.66 H new ATOM 0 HG3 GLU A 74 9.030 -10.681 2.581 1.00 1.66 H new ATOM 1116 N GLY A 75 8.411 -8.129 7.664 1.00 1.17 N ATOM 1117 CA GLY A 75 9.141 -7.538 8.775 1.00 1.35 C ATOM 1118 C GLY A 75 10.292 -6.682 8.255 1.00 2.52 C ATOM 1119 O GLY A 75 11.468 -7.025 8.403 1.00 3.11 O ATOM 0 H GLY A 75 7.448 -7.802 7.589 1.00 1.17 H new ATOM 0 HA2 GLY A 75 8.468 -6.928 9.378 1.00 1.35 H new ATOM 0 HA3 GLY A 75 9.527 -8.324 9.425 1.00 1.35 H new ATOM 1123 N ARG A 76 9.948 -5.565 7.624 1.00 3.80 N ATOM 1124 CA ARG A 76 10.843 -4.520 7.188 1.00 5.70 C ATOM 1125 C ARG A 76 10.219 -3.223 7.705 1.00 6.61 C ATOM 1126 O ARG A 76 9.033 -3.292 8.107 1.00 6.68 O ATOM 1127 CB ARG A 76 10.921 -4.522 5.654 1.00 7.00 C ATOM 1128 CG ARG A 76 12.236 -5.103 5.121 1.00 8.66 C ATOM 1129 CD ARG A 76 12.245 -6.637 5.088 1.00 9.17 C ATOM 1130 NE ARG A 76 13.624 -7.150 5.059 1.00 10.49 N ATOM 1131 CZ ARG A 76 14.419 -7.308 6.131 1.00 10.82 C ATOM 1132 NH1 ARG A 76 13.941 -7.175 7.373 1.00 10.00 N ATOM 1133 NH2 ARG A 76 15.716 -7.584 5.952 1.00 12.26 N ATOM 1134 OXT ARG A 76 10.937 -2.201 7.693 1.00 7.72 O ATOM 0 H ARG A 76 8.976 -5.360 7.393 1.00 3.80 H new ATOM 0 HA ARG A 76 11.859 -4.648 7.561 1.00 5.70 H new ATOM 0 HB2 ARG A 76 10.087 -5.099 5.254 1.00 7.00 H new ATOM 0 HB3 ARG A 76 10.807 -3.501 5.289 1.00 7.00 H new ATOM 0 HG2 ARG A 76 12.413 -4.723 4.115 1.00 8.66 H new ATOM 0 HG3 ARG A 76 13.060 -4.754 5.744 1.00 8.66 H new ATOM 0 HD2 ARG A 76 11.725 -7.027 5.963 1.00 9.17 H new ATOM 0 HD3 ARG A 76 11.702 -6.990 4.211 1.00 9.17 H new ATOM 0 HE ARG A 76 14.008 -7.407 4.150 1.00 10.49 H new ATOM 0 HH11 ARG A 76 12.957 -6.950 7.519 1.00 10.00 H new ATOM 0 HH12 ARG A 76 14.560 -7.299 8.174 1.00 10.00 H new ATOM 0 HH21 ARG A 76 16.093 -7.673 5.008 1.00 12.26 H new ATOM 0 HH22 ARG A 76 16.328 -7.706 6.759 1.00 12.26 H new TER 1148 ARG A 76 HETATM 1149 CU CU A 77 -1.199 -6.309 -13.724 1.00 1.76 CU