USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 403 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 8 TYR OH : rot -147:sc= -0.519 USER MOD Set 1.2: A 11 TYR OH : rot 1:sc= -0.633 USER MOD Single : A 3 LYS NZ :NH3+ 149:sc= -0.381 (180deg=-1.66!) USER MOD Single : A 5 LYS NZ :NH3+ -163:sc= -2.94 (180deg=-3.73) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.425 K(o=-0.43,f=-1.9!) USER MOD Single : A 14 SER OG : rot 180:sc= 0.00149 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.143 K(o=-0.14,f=-1.5!) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 21 GLN : amide:sc= -4.16! C(o=-4.2!,f=-9.4!) USER MOD Single : A 23 ASN : amide:sc= -2.96! C(o=-3!,f=-9.8!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 157:sc= -0.184 (180deg=-1.09) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= -2.4! K(o=-2.4!,f=-1.4) USER MOD Single : A 34 SER OG : rot 180:sc= -0.451 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.111 K(o=-0.11,f=-2.3!) USER MOD Single : A 46 GLN : amide:sc= -1.19 K(o=-1.2,f=-4.3!) USER MOD Single : A 51 TYR OH : rot 70:sc= -2.19 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 2 89.174 -9.865 -50.957 1.00 0.00 N ATOM 2 CA ASP A 2 89.938 -10.368 -52.093 1.00 0.00 C ATOM 3 C ASP A 2 89.590 -11.827 -52.370 1.00 0.00 C ATOM 4 O ASP A 2 88.696 -12.392 -51.740 1.00 0.00 O ATOM 5 CB ASP A 2 91.436 -10.244 -51.810 1.00 0.00 C ATOM 6 CG ASP A 2 91.835 -8.774 -51.744 1.00 0.00 C ATOM 7 OD1 ASP A 2 91.034 -7.944 -52.142 1.00 0.00 O ATOM 8 OD2 ASP A 2 92.937 -8.498 -51.297 1.00 0.00 O ATOM 0 HA ASP A 2 89.683 -9.773 -52.970 1.00 0.00 H new ATOM 0 HB2 ASP A 2 91.679 -10.738 -50.869 1.00 0.00 H new ATOM 0 HB3 ASP A 2 92.005 -10.749 -52.591 1.00 0.00 H new ATOM 13 N LYS A 3 90.299 -12.429 -53.319 1.00 0.00 N ATOM 14 CA LYS A 3 90.056 -13.822 -53.673 1.00 0.00 C ATOM 15 C LYS A 3 90.231 -14.724 -52.455 1.00 0.00 C ATOM 16 O LYS A 3 89.488 -15.688 -52.272 1.00 0.00 O ATOM 17 CB LYS A 3 91.024 -14.256 -54.775 1.00 0.00 C ATOM 18 CG LYS A 3 90.686 -15.679 -55.222 1.00 0.00 C ATOM 19 CD LYS A 3 91.570 -16.065 -56.410 1.00 0.00 C ATOM 20 CE LYS A 3 92.954 -16.476 -55.905 1.00 0.00 C ATOM 21 NZ LYS A 3 92.811 -17.563 -54.896 1.00 0.00 N ATOM 0 H LYS A 3 91.041 -11.978 -53.853 1.00 0.00 H new ATOM 0 HA LYS A 3 89.031 -13.912 -54.033 1.00 0.00 H new ATOM 0 HB2 LYS A 3 90.958 -13.572 -55.621 1.00 0.00 H new ATOM 0 HB3 LYS A 3 92.050 -14.213 -54.410 1.00 0.00 H new ATOM 0 HG2 LYS A 3 90.840 -16.376 -54.399 1.00 0.00 H new ATOM 0 HG3 LYS A 3 89.634 -15.744 -55.502 1.00 0.00 H new ATOM 0 HD2 LYS A 3 91.115 -16.886 -56.964 1.00 0.00 H new ATOM 0 HD3 LYS A 3 91.658 -15.225 -57.100 1.00 0.00 H new ATOM 0 HE2 LYS A 3 93.570 -16.816 -56.737 1.00 0.00 H new ATOM 0 HE3 LYS A 3 93.461 -15.619 -55.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 93.644 -18.184 -54.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 92.733 -17.147 -53.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 91.956 -18.118 -55.102 1.00 0.00 H new ATOM 35 N CYS A 4 91.220 -14.406 -51.625 1.00 0.00 N ATOM 36 CA CYS A 4 91.483 -15.195 -50.427 1.00 0.00 C ATOM 37 C CYS A 4 90.306 -15.121 -49.463 1.00 0.00 C ATOM 38 O CYS A 4 89.999 -16.080 -48.755 1.00 0.00 O ATOM 39 CB CYS A 4 92.721 -14.656 -49.709 1.00 0.00 C ATOM 40 SG CYS A 4 94.128 -14.658 -50.847 1.00 0.00 S ATOM 0 H CYS A 4 91.848 -13.613 -51.759 1.00 0.00 H new ATOM 0 HA CYS A 4 91.640 -16.229 -50.735 1.00 0.00 H new ATOM 0 HB2 CYS A 4 92.533 -13.645 -49.348 1.00 0.00 H new ATOM 0 HB3 CYS A 4 92.945 -15.270 -48.837 1.00 0.00 H new ATOM 45 N LYS A 5 89.657 -13.962 -49.433 1.00 0.00 N ATOM 46 CA LYS A 5 88.529 -13.751 -48.532 1.00 0.00 C ATOM 47 C LYS A 5 87.304 -14.518 -49.020 1.00 0.00 C ATOM 48 O LYS A 5 86.780 -14.247 -50.101 1.00 0.00 O ATOM 49 CB LYS A 5 88.202 -12.260 -48.445 1.00 0.00 C ATOM 50 CG LYS A 5 89.501 -11.451 -48.450 1.00 0.00 C ATOM 51 CD LYS A 5 90.372 -11.878 -47.267 1.00 0.00 C ATOM 52 CE LYS A 5 91.549 -10.911 -47.123 1.00 0.00 C ATOM 53 NZ LYS A 5 91.063 -9.614 -46.573 1.00 0.00 N ATOM 0 H LYS A 5 89.890 -13.159 -50.018 1.00 0.00 H new ATOM 0 HA LYS A 5 88.803 -14.119 -47.543 1.00 0.00 H new ATOM 0 HB2 LYS A 5 87.574 -11.965 -49.286 1.00 0.00 H new ATOM 0 HB3 LYS A 5 87.636 -12.053 -47.537 1.00 0.00 H new ATOM 0 HG2 LYS A 5 90.037 -11.609 -49.386 1.00 0.00 H new ATOM 0 HG3 LYS A 5 89.279 -10.386 -48.386 1.00 0.00 H new ATOM 0 HD2 LYS A 5 89.781 -11.887 -46.351 1.00 0.00 H new ATOM 0 HD3 LYS A 5 90.738 -12.893 -47.420 1.00 0.00 H new ATOM 0 HE2 LYS A 5 92.305 -11.337 -46.463 1.00 0.00 H new ATOM 0 HE3 LYS A 5 92.024 -10.752 -48.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 91.777 -8.877 -46.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 90.174 -9.348 -47.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 90.898 -9.711 -45.551 1.00 0.00 H new ATOM 67 N LYS A 6 86.852 -15.474 -48.216 1.00 0.00 N ATOM 68 CA LYS A 6 85.673 -16.259 -48.566 1.00 0.00 C ATOM 69 C LYS A 6 84.640 -16.204 -47.444 1.00 0.00 C ATOM 70 O LYS A 6 84.988 -16.257 -46.265 1.00 0.00 O ATOM 71 CB LYS A 6 86.073 -17.714 -48.823 1.00 0.00 C ATOM 72 CG LYS A 6 87.016 -17.778 -50.027 1.00 0.00 C ATOM 73 CD LYS A 6 86.970 -19.181 -50.637 1.00 0.00 C ATOM 74 CE LYS A 6 87.479 -20.199 -49.615 1.00 0.00 C ATOM 75 NZ LYS A 6 87.577 -21.541 -50.257 1.00 0.00 N ATOM 0 H LYS A 6 87.280 -15.723 -47.324 1.00 0.00 H new ATOM 0 HA LYS A 6 85.233 -15.837 -49.470 1.00 0.00 H new ATOM 0 HB2 LYS A 6 86.562 -18.129 -47.942 1.00 0.00 H new ATOM 0 HB3 LYS A 6 85.186 -18.319 -49.010 1.00 0.00 H new ATOM 0 HG2 LYS A 6 86.724 -17.037 -50.771 1.00 0.00 H new ATOM 0 HG3 LYS A 6 88.033 -17.537 -49.719 1.00 0.00 H new ATOM 0 HD2 LYS A 6 85.950 -19.427 -50.934 1.00 0.00 H new ATOM 0 HD3 LYS A 6 87.582 -19.217 -51.538 1.00 0.00 H new ATOM 0 HE2 LYS A 6 88.454 -19.893 -49.236 1.00 0.00 H new ATOM 0 HE3 LYS A 6 86.804 -20.241 -48.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 87.923 -22.234 -49.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 86.639 -21.832 -50.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 88.238 -21.495 -51.059 1.00 0.00 H new ATOM 89 N VAL A 7 83.370 -16.097 -47.820 1.00 0.00 N ATOM 90 CA VAL A 7 82.298 -16.007 -46.836 1.00 0.00 C ATOM 91 C VAL A 7 81.435 -17.264 -46.864 1.00 0.00 C ATOM 92 O VAL A 7 80.989 -17.700 -47.926 1.00 0.00 O ATOM 93 CB VAL A 7 81.427 -14.783 -47.121 1.00 0.00 C ATOM 94 CG1 VAL A 7 80.732 -14.952 -48.473 1.00 0.00 C ATOM 95 CG2 VAL A 7 80.372 -14.641 -46.021 1.00 0.00 C ATOM 0 H VAL A 7 83.060 -16.071 -48.791 1.00 0.00 H new ATOM 0 HA VAL A 7 82.748 -15.911 -45.848 1.00 0.00 H new ATOM 0 HB VAL A 7 82.053 -13.891 -47.144 1.00 0.00 H new ATOM 0 HG11 VAL A 7 80.112 -14.079 -48.675 1.00 0.00 H new ATOM 0 HG12 VAL A 7 81.482 -15.053 -49.257 1.00 0.00 H new ATOM 0 HG13 VAL A 7 80.107 -15.844 -48.452 1.00 0.00 H new ATOM 0 HG21 VAL A 7 79.751 -13.769 -46.223 1.00 0.00 H new ATOM 0 HG22 VAL A 7 79.747 -15.534 -45.998 1.00 0.00 H new ATOM 0 HG23 VAL A 7 80.866 -14.519 -45.057 1.00 0.00 H new ATOM 105 N TYR A 8 81.201 -17.842 -45.690 1.00 0.00 N ATOM 106 CA TYR A 8 80.337 -19.012 -45.584 1.00 0.00 C ATOM 107 C TYR A 8 79.461 -18.918 -44.338 1.00 0.00 C ATOM 108 O TYR A 8 79.959 -18.956 -43.213 1.00 0.00 O ATOM 109 CB TYR A 8 81.185 -20.285 -45.521 1.00 0.00 C ATOM 110 CG TYR A 8 81.659 -20.508 -44.106 1.00 0.00 C ATOM 111 CD1 TYR A 8 82.863 -19.942 -43.673 1.00 0.00 C ATOM 112 CD2 TYR A 8 80.894 -21.282 -43.225 1.00 0.00 C ATOM 113 CE1 TYR A 8 83.304 -20.149 -42.360 1.00 0.00 C ATOM 114 CE2 TYR A 8 81.335 -21.490 -41.912 1.00 0.00 C ATOM 115 CZ TYR A 8 82.539 -20.923 -41.480 1.00 0.00 C ATOM 116 OH TYR A 8 82.973 -21.129 -40.185 1.00 0.00 O ATOM 0 H TYR A 8 81.594 -17.522 -44.805 1.00 0.00 H new ATOM 0 HA TYR A 8 79.695 -19.048 -46.464 1.00 0.00 H new ATOM 0 HB2 TYR A 8 80.600 -21.141 -45.858 1.00 0.00 H new ATOM 0 HB3 TYR A 8 82.040 -20.198 -46.192 1.00 0.00 H new ATOM 0 HD1 TYR A 8 83.453 -19.345 -44.352 1.00 0.00 H new ATOM 0 HD2 TYR A 8 79.964 -21.719 -43.558 1.00 0.00 H new ATOM 0 HE1 TYR A 8 84.234 -19.712 -42.027 1.00 0.00 H new ATOM 0 HE2 TYR A 8 80.746 -22.088 -41.233 1.00 0.00 H new ATOM 0 HH TYR A 8 82.694 -22.019 -39.884 1.00 0.00 H new ATOM 126 N GLU A 9 78.155 -18.794 -44.549 1.00 0.00 N ATOM 127 CA GLU A 9 77.225 -18.609 -43.441 1.00 0.00 C ATOM 128 C GLU A 9 77.133 -19.876 -42.597 1.00 0.00 C ATOM 129 O GLU A 9 77.828 -20.016 -41.591 1.00 0.00 O ATOM 130 CB GLU A 9 75.839 -18.248 -43.977 1.00 0.00 C ATOM 131 CG GLU A 9 75.951 -17.041 -44.909 1.00 0.00 C ATOM 132 CD GLU A 9 74.562 -16.595 -45.355 1.00 0.00 C ATOM 133 OE1 GLU A 9 73.619 -17.328 -45.105 1.00 0.00 O ATOM 134 OE2 GLU A 9 74.462 -15.529 -45.939 1.00 0.00 O ATOM 0 H GLU A 9 77.719 -18.818 -45.471 1.00 0.00 H new ATOM 0 HA GLU A 9 77.595 -17.797 -42.815 1.00 0.00 H new ATOM 0 HB2 GLU A 9 75.412 -19.096 -44.513 1.00 0.00 H new ATOM 0 HB3 GLU A 9 75.165 -18.021 -43.151 1.00 0.00 H new ATOM 0 HG2 GLU A 9 76.458 -16.223 -44.398 1.00 0.00 H new ATOM 0 HG3 GLU A 9 76.556 -17.298 -45.779 1.00 0.00 H new ATOM 141 N ASN A 10 76.267 -20.797 -43.012 1.00 0.00 N ATOM 142 CA ASN A 10 76.019 -22.003 -42.232 1.00 0.00 C ATOM 143 C ASN A 10 75.449 -21.642 -40.865 1.00 0.00 C ATOM 144 O ASN A 10 74.360 -22.082 -40.498 1.00 0.00 O ATOM 145 CB ASN A 10 77.320 -22.789 -42.053 1.00 0.00 C ATOM 146 CG ASN A 10 77.825 -23.274 -43.408 1.00 0.00 C ATOM 147 OD1 ASN A 10 77.143 -23.115 -44.419 1.00 0.00 O ATOM 148 ND2 ASN A 10 78.989 -23.858 -43.486 1.00 0.00 N ATOM 0 H ASN A 10 75.730 -20.731 -43.877 1.00 0.00 H new ATOM 0 HA ASN A 10 75.296 -22.619 -42.767 1.00 0.00 H new ATOM 0 HB2 ASN A 10 78.073 -22.159 -41.579 1.00 0.00 H new ATOM 0 HB3 ASN A 10 77.153 -23.639 -41.392 1.00 0.00 H new ATOM 0 HD21 ASN A 10 79.336 -24.185 -44.388 1.00 0.00 H new ATOM 0 HD22 ASN A 10 79.552 -23.988 -42.645 1.00 0.00 H new ATOM 155 N TYR A 11 76.194 -20.834 -40.117 1.00 0.00 N ATOM 156 CA TYR A 11 75.706 -20.318 -38.844 1.00 0.00 C ATOM 157 C TYR A 11 75.692 -18.793 -38.860 1.00 0.00 C ATOM 158 O TYR A 11 76.738 -18.150 -38.770 1.00 0.00 O ATOM 159 CB TYR A 11 76.596 -20.813 -37.702 1.00 0.00 C ATOM 160 CG TYR A 11 77.997 -20.283 -37.887 1.00 0.00 C ATOM 161 CD1 TYR A 11 78.350 -19.038 -37.350 1.00 0.00 C ATOM 162 CD2 TYR A 11 78.943 -21.034 -38.595 1.00 0.00 C ATOM 163 CE1 TYR A 11 79.649 -18.547 -37.521 1.00 0.00 C ATOM 164 CE2 TYR A 11 80.241 -20.542 -38.765 1.00 0.00 C ATOM 165 CZ TYR A 11 80.595 -19.299 -38.228 1.00 0.00 C ATOM 166 OH TYR A 11 81.876 -18.813 -38.396 1.00 0.00 O ATOM 0 H TYR A 11 77.133 -20.524 -40.369 1.00 0.00 H new ATOM 0 HA TYR A 11 74.689 -20.679 -38.690 1.00 0.00 H new ATOM 0 HB2 TYR A 11 76.194 -20.482 -36.744 1.00 0.00 H new ATOM 0 HB3 TYR A 11 76.608 -21.903 -37.683 1.00 0.00 H new ATOM 0 HD1 TYR A 11 77.620 -18.458 -36.805 1.00 0.00 H new ATOM 0 HD2 TYR A 11 78.670 -21.993 -39.010 1.00 0.00 H new ATOM 0 HE1 TYR A 11 79.922 -17.587 -37.107 1.00 0.00 H new ATOM 0 HE2 TYR A 11 80.971 -21.122 -39.311 1.00 0.00 H new ATOM 0 HH TYR A 11 81.958 -17.945 -37.949 1.00 0.00 H new ATOM 176 N PRO A 12 74.529 -18.212 -38.977 1.00 0.00 N ATOM 177 CA PRO A 12 74.365 -16.737 -39.064 1.00 0.00 C ATOM 178 C PRO A 12 75.161 -15.999 -37.992 1.00 0.00 C ATOM 179 O PRO A 12 75.896 -16.610 -37.218 1.00 0.00 O ATOM 180 CB PRO A 12 72.823 -16.507 -38.900 1.00 0.00 C ATOM 181 CG PRO A 12 72.224 -17.799 -39.358 1.00 0.00 C ATOM 182 CD PRO A 12 73.235 -18.908 -39.036 1.00 0.00 C ATOM 0 HA PRO A 12 74.747 -16.344 -40.006 1.00 0.00 H new ATOM 0 HB2 PRO A 12 72.558 -16.287 -37.866 1.00 0.00 H new ATOM 0 HB3 PRO A 12 72.476 -15.668 -39.503 1.00 0.00 H new ATOM 0 HG2 PRO A 12 71.276 -17.984 -38.853 1.00 0.00 H new ATOM 0 HG3 PRO A 12 72.014 -17.768 -40.427 1.00 0.00 H new ATOM 0 HD2 PRO A 12 73.002 -19.396 -38.090 1.00 0.00 H new ATOM 0 HD3 PRO A 12 73.234 -19.682 -39.803 1.00 0.00 H new ATOM 190 N VAL A 13 75.007 -14.679 -37.955 1.00 0.00 N ATOM 191 CA VAL A 13 75.755 -13.856 -37.012 1.00 0.00 C ATOM 192 C VAL A 13 75.631 -14.415 -35.598 1.00 0.00 C ATOM 193 O VAL A 13 76.328 -13.978 -34.683 1.00 0.00 O ATOM 194 CB VAL A 13 75.230 -12.420 -37.043 1.00 0.00 C ATOM 195 CG1 VAL A 13 74.772 -12.075 -38.461 1.00 0.00 C ATOM 196 CG2 VAL A 13 74.047 -12.288 -36.082 1.00 0.00 C ATOM 0 H VAL A 13 74.375 -14.159 -38.564 1.00 0.00 H new ATOM 0 HA VAL A 13 76.805 -13.865 -37.303 1.00 0.00 H new ATOM 0 HB VAL A 13 76.024 -11.737 -36.740 1.00 0.00 H new ATOM 0 HG11 VAL A 13 74.398 -11.052 -38.484 1.00 0.00 H new ATOM 0 HG12 VAL A 13 75.613 -12.169 -39.148 1.00 0.00 H new ATOM 0 HG13 VAL A 13 73.978 -12.758 -38.763 1.00 0.00 H new ATOM 0 HG21 VAL A 13 73.673 -11.264 -36.104 1.00 0.00 H new ATOM 0 HG22 VAL A 13 73.254 -12.971 -36.386 1.00 0.00 H new ATOM 0 HG23 VAL A 13 74.371 -12.534 -35.071 1.00 0.00 H new ATOM 206 N SER A 14 74.737 -15.385 -35.428 1.00 0.00 N ATOM 207 CA SER A 14 74.497 -15.966 -34.113 1.00 0.00 C ATOM 208 C SER A 14 75.812 -16.157 -33.364 1.00 0.00 C ATOM 209 O SER A 14 75.934 -15.780 -32.198 1.00 0.00 O ATOM 210 CB SER A 14 73.791 -17.314 -34.259 1.00 0.00 C ATOM 211 OG SER A 14 72.611 -17.143 -35.033 1.00 0.00 O ATOM 0 H SER A 14 74.171 -15.782 -36.178 1.00 0.00 H new ATOM 0 HA SER A 14 73.864 -15.284 -33.545 1.00 0.00 H new ATOM 0 HB2 SER A 14 74.453 -18.035 -34.739 1.00 0.00 H new ATOM 0 HB3 SER A 14 73.541 -17.715 -33.277 1.00 0.00 H new ATOM 0 HG SER A 14 72.156 -18.005 -35.131 1.00 0.00 H new ATOM 217 N LYS A 15 76.794 -16.743 -34.041 1.00 0.00 N ATOM 218 CA LYS A 15 78.095 -16.981 -33.428 1.00 0.00 C ATOM 219 C LYS A 15 78.972 -15.739 -33.540 1.00 0.00 C ATOM 220 O LYS A 15 79.744 -15.428 -32.633 1.00 0.00 O ATOM 221 CB LYS A 15 78.789 -18.160 -34.114 1.00 0.00 C ATOM 222 CG LYS A 15 77.918 -19.410 -33.987 1.00 0.00 C ATOM 223 CD LYS A 15 78.734 -20.644 -34.380 1.00 0.00 C ATOM 224 CE LYS A 15 77.834 -21.881 -34.356 1.00 0.00 C ATOM 225 NZ LYS A 15 78.533 -23.016 -35.023 1.00 0.00 N ATOM 0 H LYS A 15 76.715 -17.060 -35.007 1.00 0.00 H new ATOM 0 HA LYS A 15 77.943 -17.213 -32.374 1.00 0.00 H new ATOM 0 HB2 LYS A 15 78.964 -17.931 -35.165 1.00 0.00 H new ATOM 0 HB3 LYS A 15 79.764 -18.336 -33.660 1.00 0.00 H new ATOM 0 HG2 LYS A 15 77.556 -19.511 -32.964 1.00 0.00 H new ATOM 0 HG3 LYS A 15 77.041 -19.322 -34.628 1.00 0.00 H new ATOM 0 HD2 LYS A 15 79.159 -20.510 -35.375 1.00 0.00 H new ATOM 0 HD3 LYS A 15 79.569 -20.775 -33.691 1.00 0.00 H new ATOM 0 HE2 LYS A 15 77.588 -22.145 -33.328 1.00 0.00 H new ATOM 0 HE3 LYS A 15 76.893 -21.670 -34.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 77.922 -23.857 -35.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 78.746 -22.761 -36.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 79.419 -23.222 -34.519 1.00 0.00 H new ATOM 239 N CYS A 16 78.846 -15.031 -34.658 1.00 0.00 N ATOM 240 CA CYS A 16 79.666 -13.849 -34.899 1.00 0.00 C ATOM 241 C CYS A 16 79.595 -12.895 -33.711 1.00 0.00 C ATOM 242 O CYS A 16 80.293 -11.882 -33.675 1.00 0.00 O ATOM 243 CB CYS A 16 79.189 -13.132 -36.162 1.00 0.00 C ATOM 244 SG CYS A 16 80.270 -11.719 -36.499 1.00 0.00 S ATOM 0 H CYS A 16 78.189 -15.253 -35.406 1.00 0.00 H new ATOM 0 HA CYS A 16 80.700 -14.168 -35.031 1.00 0.00 H new ATOM 0 HB2 CYS A 16 79.197 -13.819 -37.008 1.00 0.00 H new ATOM 0 HB3 CYS A 16 78.160 -12.794 -36.035 1.00 0.00 H new ATOM 249 N GLN A 17 78.748 -13.226 -32.742 1.00 0.00 N ATOM 250 CA GLN A 17 78.608 -12.398 -31.549 1.00 0.00 C ATOM 251 C GLN A 17 79.954 -12.233 -30.852 1.00 0.00 C ATOM 252 O GLN A 17 80.170 -11.269 -30.118 1.00 0.00 O ATOM 253 CB GLN A 17 77.605 -13.036 -30.585 1.00 0.00 C ATOM 254 CG GLN A 17 76.225 -13.091 -31.245 1.00 0.00 C ATOM 255 CD GLN A 17 75.635 -11.689 -31.334 1.00 0.00 C ATOM 256 OE1 GLN A 17 75.908 -10.843 -30.482 1.00 0.00 O ATOM 257 NE2 GLN A 17 74.836 -11.389 -32.322 1.00 0.00 N ATOM 0 H GLN A 17 78.153 -14.054 -32.758 1.00 0.00 H new ATOM 0 HA GLN A 17 78.245 -11.415 -31.851 1.00 0.00 H new ATOM 0 HB2 GLN A 17 77.931 -14.041 -30.316 1.00 0.00 H new ATOM 0 HB3 GLN A 17 77.555 -12.459 -29.661 1.00 0.00 H new ATOM 0 HG2 GLN A 17 76.306 -13.524 -32.242 1.00 0.00 H new ATOM 0 HG3 GLN A 17 75.563 -13.738 -30.669 1.00 0.00 H new ATOM 0 HE21 GLN A 17 74.611 -12.091 -33.027 1.00 0.00 H new ATOM 0 HE22 GLN A 17 74.437 -10.453 -32.389 1.00 0.00 H new ATOM 266 N LEU A 18 80.856 -13.180 -31.088 1.00 0.00 N ATOM 267 CA LEU A 18 82.193 -13.110 -30.510 1.00 0.00 C ATOM 268 C LEU A 18 83.253 -13.222 -31.602 1.00 0.00 C ATOM 269 O LEU A 18 83.360 -14.248 -32.272 1.00 0.00 O ATOM 270 CB LEU A 18 82.384 -14.238 -29.495 1.00 0.00 C ATOM 271 CG LEU A 18 81.313 -14.136 -28.408 1.00 0.00 C ATOM 272 CD1 LEU A 18 81.032 -15.526 -27.835 1.00 0.00 C ATOM 273 CD2 LEU A 18 81.809 -13.215 -27.291 1.00 0.00 C ATOM 0 H LEU A 18 80.687 -14.000 -31.671 1.00 0.00 H new ATOM 0 HA LEU A 18 82.302 -12.149 -30.008 1.00 0.00 H new ATOM 0 HB2 LEU A 18 82.319 -15.205 -29.994 1.00 0.00 H new ATOM 0 HB3 LEU A 18 83.377 -14.175 -29.049 1.00 0.00 H new ATOM 0 HG LEU A 18 80.397 -13.729 -28.837 1.00 0.00 H new ATOM 0 HD11 LEU A 18 80.269 -15.453 -27.060 1.00 0.00 H new ATOM 0 HD12 LEU A 18 80.680 -16.183 -28.630 1.00 0.00 H new ATOM 0 HD13 LEU A 18 81.947 -15.934 -27.405 1.00 0.00 H new ATOM 0 HD21 LEU A 18 81.047 -13.141 -26.515 1.00 0.00 H new ATOM 0 HD22 LEU A 18 82.725 -13.623 -26.863 1.00 0.00 H new ATOM 0 HD23 LEU A 18 82.009 -12.224 -27.699 1.00 0.00 H new ATOM 285 N ALA A 19 84.034 -12.160 -31.773 1.00 0.00 N ATOM 286 CA ALA A 19 85.060 -12.142 -32.809 1.00 0.00 C ATOM 287 C ALA A 19 85.964 -13.364 -32.686 1.00 0.00 C ATOM 288 O ALA A 19 86.725 -13.680 -33.601 1.00 0.00 O ATOM 289 CB ALA A 19 85.900 -10.869 -32.690 1.00 0.00 C ATOM 0 H ALA A 19 83.977 -11.309 -31.214 1.00 0.00 H new ATOM 0 HA ALA A 19 84.569 -12.163 -33.782 1.00 0.00 H new ATOM 0 HB1 ALA A 19 86.664 -10.863 -33.467 1.00 0.00 H new ATOM 0 HB2 ALA A 19 85.257 -9.997 -32.807 1.00 0.00 H new ATOM 0 HB3 ALA A 19 86.378 -10.839 -31.711 1.00 0.00 H new ATOM 295 N ASN A 20 85.876 -14.048 -31.549 1.00 0.00 N ATOM 296 CA ASN A 20 86.702 -15.226 -31.312 1.00 0.00 C ATOM 297 C ASN A 20 86.018 -16.477 -31.852 1.00 0.00 C ATOM 298 O ASN A 20 86.649 -17.525 -32.000 1.00 0.00 O ATOM 299 CB ASN A 20 86.959 -15.390 -29.812 1.00 0.00 C ATOM 300 CG ASN A 20 87.460 -14.076 -29.222 1.00 0.00 C ATOM 301 OD1 ASN A 20 88.272 -13.387 -29.839 1.00 0.00 O ATOM 302 ND2 ASN A 20 87.021 -13.685 -28.056 1.00 0.00 N ATOM 0 H ASN A 20 85.246 -13.809 -30.783 1.00 0.00 H new ATOM 0 HA ASN A 20 87.651 -15.092 -31.831 1.00 0.00 H new ATOM 0 HB2 ASN A 20 86.042 -15.698 -29.309 1.00 0.00 H new ATOM 0 HB3 ASN A 20 87.694 -16.177 -29.645 1.00 0.00 H new ATOM 0 HD21 ASN A 20 87.351 -12.807 -27.655 1.00 0.00 H new ATOM 0 HD22 ASN A 20 86.348 -14.257 -27.546 1.00 0.00 H new ATOM 309 N GLN A 21 84.728 -16.362 -32.146 1.00 0.00 N ATOM 310 CA GLN A 21 83.962 -17.501 -32.638 1.00 0.00 C ATOM 311 C GLN A 21 84.242 -17.736 -34.118 1.00 0.00 C ATOM 312 O GLN A 21 84.543 -18.855 -34.533 1.00 0.00 O ATOM 313 CB GLN A 21 82.466 -17.254 -32.433 1.00 0.00 C ATOM 314 CG GLN A 21 81.794 -18.546 -31.964 1.00 0.00 C ATOM 315 CD GLN A 21 81.916 -19.617 -33.042 1.00 0.00 C ATOM 316 OE1 GLN A 21 81.904 -19.305 -34.234 1.00 0.00 O ATOM 317 NE2 GLN A 21 82.036 -20.869 -32.694 1.00 0.00 N ATOM 0 H GLN A 21 84.194 -15.498 -32.053 1.00 0.00 H new ATOM 0 HA GLN A 21 84.264 -18.386 -32.077 1.00 0.00 H new ATOM 0 HB2 GLN A 21 82.315 -16.465 -31.696 1.00 0.00 H new ATOM 0 HB3 GLN A 21 82.012 -16.913 -33.363 1.00 0.00 H new ATOM 0 HG2 GLN A 21 82.258 -18.893 -31.041 1.00 0.00 H new ATOM 0 HG3 GLN A 21 80.743 -18.360 -31.742 1.00 0.00 H new ATOM 0 HE21 GLN A 21 82.046 -21.125 -31.707 1.00 0.00 H new ATOM 0 HE22 GLN A 21 82.120 -21.591 -33.409 1.00 0.00 H new ATOM 326 N CYS A 22 84.143 -16.673 -34.910 1.00 0.00 N ATOM 327 CA CYS A 22 84.373 -16.779 -36.347 1.00 0.00 C ATOM 328 C CYS A 22 85.680 -17.513 -36.627 1.00 0.00 C ATOM 329 O CYS A 22 85.687 -18.564 -37.268 1.00 0.00 O ATOM 330 CB CYS A 22 84.424 -15.383 -36.972 1.00 0.00 C ATOM 331 SG CYS A 22 82.747 -14.717 -37.101 1.00 0.00 S ATOM 0 H CYS A 22 83.907 -15.735 -34.585 1.00 0.00 H new ATOM 0 HA CYS A 22 83.551 -17.344 -36.787 1.00 0.00 H new ATOM 0 HB2 CYS A 22 85.043 -14.723 -36.364 1.00 0.00 H new ATOM 0 HB3 CYS A 22 84.884 -15.432 -37.959 1.00 0.00 H new ATOM 336 N ASN A 23 86.783 -16.953 -36.142 1.00 0.00 N ATOM 337 CA ASN A 23 88.092 -17.563 -36.346 1.00 0.00 C ATOM 338 C ASN A 23 88.035 -19.061 -36.066 1.00 0.00 C ATOM 339 O ASN A 23 88.488 -19.871 -36.875 1.00 0.00 O ATOM 340 CB ASN A 23 89.122 -16.910 -35.424 1.00 0.00 C ATOM 341 CG ASN A 23 88.741 -15.457 -35.161 1.00 0.00 C ATOM 342 OD1 ASN A 23 87.959 -14.874 -35.913 1.00 0.00 O ATOM 343 ND2 ASN A 23 89.248 -14.834 -34.134 1.00 0.00 N ATOM 0 H ASN A 23 86.798 -16.084 -35.608 1.00 0.00 H new ATOM 0 HA ASN A 23 88.385 -17.409 -37.385 1.00 0.00 H new ATOM 0 HB2 ASN A 23 89.177 -17.456 -34.482 1.00 0.00 H new ATOM 0 HB3 ASN A 23 90.111 -16.958 -35.879 1.00 0.00 H new ATOM 0 HD21 ASN A 23 88.997 -13.862 -33.952 1.00 0.00 H new ATOM 0 HD22 ASN A 23 89.895 -15.318 -33.512 1.00 0.00 H new ATOM 350 N TYR A 24 87.475 -19.422 -34.917 1.00 0.00 N ATOM 351 CA TYR A 24 87.349 -20.828 -34.548 1.00 0.00 C ATOM 352 C TYR A 24 86.655 -21.614 -35.657 1.00 0.00 C ATOM 353 O TYR A 24 87.224 -22.553 -36.215 1.00 0.00 O ATOM 354 CB TYR A 24 86.548 -20.957 -33.250 1.00 0.00 C ATOM 355 CG TYR A 24 87.494 -20.951 -32.074 1.00 0.00 C ATOM 356 CD1 TYR A 24 88.347 -19.861 -31.866 1.00 0.00 C ATOM 357 CD2 TYR A 24 87.518 -22.037 -31.190 1.00 0.00 C ATOM 358 CE1 TYR A 24 89.224 -19.855 -30.774 1.00 0.00 C ATOM 359 CE2 TYR A 24 88.396 -22.032 -30.098 1.00 0.00 C ATOM 360 CZ TYR A 24 89.249 -20.941 -29.891 1.00 0.00 C ATOM 361 OH TYR A 24 90.113 -20.936 -28.816 1.00 0.00 O ATOM 0 H TYR A 24 87.103 -18.767 -34.229 1.00 0.00 H new ATOM 0 HA TYR A 24 88.349 -21.237 -34.400 1.00 0.00 H new ATOM 0 HB2 TYR A 24 85.839 -20.134 -33.164 1.00 0.00 H new ATOM 0 HB3 TYR A 24 85.967 -21.879 -33.259 1.00 0.00 H new ATOM 0 HD1 TYR A 24 88.329 -19.024 -32.548 1.00 0.00 H new ATOM 0 HD2 TYR A 24 86.860 -22.878 -31.350 1.00 0.00 H new ATOM 0 HE1 TYR A 24 89.881 -19.013 -30.613 1.00 0.00 H new ATOM 0 HE2 TYR A 24 88.415 -22.869 -29.416 1.00 0.00 H new ATOM 0 HH TYR A 24 90.002 -21.764 -28.303 1.00 0.00 H new ATOM 371 N ASP A 25 85.423 -21.225 -35.971 1.00 0.00 N ATOM 372 CA ASP A 25 84.666 -21.893 -37.023 1.00 0.00 C ATOM 373 C ASP A 25 85.368 -21.741 -38.370 1.00 0.00 C ATOM 374 O ASP A 25 85.471 -22.697 -39.137 1.00 0.00 O ATOM 375 CB ASP A 25 83.258 -21.300 -37.111 1.00 0.00 C ATOM 376 CG ASP A 25 82.480 -21.616 -35.838 1.00 0.00 C ATOM 377 OD1 ASP A 25 82.984 -22.380 -35.033 1.00 0.00 O ATOM 378 OD2 ASP A 25 81.391 -21.087 -35.687 1.00 0.00 O ATOM 0 H ASP A 25 84.931 -20.456 -35.516 1.00 0.00 H new ATOM 0 HA ASP A 25 84.600 -22.953 -36.778 1.00 0.00 H new ATOM 0 HB2 ASP A 25 83.317 -20.221 -37.253 1.00 0.00 H new ATOM 0 HB3 ASP A 25 82.736 -21.707 -37.977 1.00 0.00 H new ATOM 383 N CYS A 26 85.848 -20.534 -38.648 1.00 0.00 N ATOM 384 CA CYS A 26 86.534 -20.267 -39.907 1.00 0.00 C ATOM 385 C CYS A 26 87.796 -21.117 -40.021 1.00 0.00 C ATOM 386 O CYS A 26 88.169 -21.547 -41.112 1.00 0.00 O ATOM 387 CB CYS A 26 86.905 -18.785 -39.996 1.00 0.00 C ATOM 388 SG CYS A 26 86.200 -18.077 -41.505 1.00 0.00 S ATOM 0 H CYS A 26 85.776 -19.730 -38.024 1.00 0.00 H new ATOM 0 HA CYS A 26 85.862 -20.523 -40.726 1.00 0.00 H new ATOM 0 HB2 CYS A 26 86.531 -18.252 -39.122 1.00 0.00 H new ATOM 0 HB3 CYS A 26 87.989 -18.670 -39.999 1.00 0.00 H new ATOM 393 N LYS A 27 88.448 -21.355 -38.888 1.00 0.00 N ATOM 394 CA LYS A 27 89.671 -22.151 -38.876 1.00 0.00 C ATOM 395 C LYS A 27 89.340 -23.640 -38.900 1.00 0.00 C ATOM 396 O LYS A 27 90.055 -24.434 -39.510 1.00 0.00 O ATOM 397 CB LYS A 27 90.491 -21.828 -37.625 1.00 0.00 C ATOM 398 CG LYS A 27 91.065 -20.416 -37.741 1.00 0.00 C ATOM 399 CD LYS A 27 91.358 -19.866 -36.344 1.00 0.00 C ATOM 400 CE LYS A 27 92.464 -20.697 -35.690 1.00 0.00 C ATOM 401 NZ LYS A 27 93.636 -20.773 -36.608 1.00 0.00 N ATOM 0 H LYS A 27 88.154 -21.012 -37.974 1.00 0.00 H new ATOM 0 HA LYS A 27 90.252 -21.905 -39.765 1.00 0.00 H new ATOM 0 HB2 LYS A 27 89.864 -21.905 -36.737 1.00 0.00 H new ATOM 0 HB3 LYS A 27 91.298 -22.552 -37.510 1.00 0.00 H new ATOM 0 HG2 LYS A 27 91.978 -20.431 -38.336 1.00 0.00 H new ATOM 0 HG3 LYS A 27 90.359 -19.767 -38.258 1.00 0.00 H new ATOM 0 HD2 LYS A 27 91.664 -18.822 -36.409 1.00 0.00 H new ATOM 0 HD3 LYS A 27 90.456 -19.897 -35.733 1.00 0.00 H new ATOM 0 HE2 LYS A 27 92.759 -20.247 -34.742 1.00 0.00 H new ATOM 0 HE3 LYS A 27 92.097 -21.699 -35.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 94.495 -20.977 -36.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 93.483 -21.530 -37.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 93.749 -19.865 -37.103 1.00 0.00 H new ATOM 415 N LEU A 28 88.251 -24.010 -38.234 1.00 0.00 N ATOM 416 CA LEU A 28 87.848 -25.409 -38.166 1.00 0.00 C ATOM 417 C LEU A 28 87.033 -25.792 -39.398 1.00 0.00 C ATOM 418 O LEU A 28 86.979 -26.961 -39.780 1.00 0.00 O ATOM 419 CB LEU A 28 87.017 -25.653 -36.904 1.00 0.00 C ATOM 420 CG LEU A 28 87.844 -25.287 -35.671 1.00 0.00 C ATOM 421 CD1 LEU A 28 86.908 -24.964 -34.505 1.00 0.00 C ATOM 422 CD2 LEU A 28 88.740 -26.469 -35.292 1.00 0.00 C ATOM 0 H LEU A 28 87.636 -23.366 -37.737 1.00 0.00 H new ATOM 0 HA LEU A 28 88.746 -26.026 -38.133 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.106 -25.056 -36.934 1.00 0.00 H new ATOM 0 HB3 LEU A 28 86.711 -26.698 -36.853 1.00 0.00 H new ATOM 0 HG LEU A 28 88.461 -24.416 -35.892 1.00 0.00 H new ATOM 0 HD11 LEU A 28 87.498 -24.703 -33.626 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.268 -24.124 -34.774 1.00 0.00 H new ATOM 0 HD13 LEU A 28 86.291 -25.834 -34.282 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.331 -26.211 -34.413 1.00 0.00 H new ATOM 0 HD22 LEU A 28 88.121 -27.338 -35.070 1.00 0.00 H new ATOM 0 HD23 LEU A 28 89.407 -26.701 -36.122 1.00 0.00 H new ATOM 434 N ASP A 29 86.401 -24.799 -40.015 1.00 0.00 N ATOM 435 CA ASP A 29 85.537 -25.052 -41.162 1.00 0.00 C ATOM 436 C ASP A 29 86.336 -24.977 -42.459 1.00 0.00 C ATOM 437 O ASP A 29 86.432 -25.958 -43.198 1.00 0.00 O ATOM 438 CB ASP A 29 84.403 -24.024 -41.199 1.00 0.00 C ATOM 439 CG ASP A 29 83.519 -24.179 -39.968 1.00 0.00 C ATOM 440 OD1 ASP A 29 83.791 -25.065 -39.174 1.00 0.00 O ATOM 441 OD2 ASP A 29 82.581 -23.409 -39.834 1.00 0.00 O ATOM 0 H ASP A 29 86.470 -23.818 -39.743 1.00 0.00 H new ATOM 0 HA ASP A 29 85.116 -26.053 -41.064 1.00 0.00 H new ATOM 0 HB2 ASP A 29 84.816 -23.016 -41.236 1.00 0.00 H new ATOM 0 HB3 ASP A 29 83.809 -24.158 -42.103 1.00 0.00 H new ATOM 446 N LYS A 30 86.906 -23.808 -42.730 1.00 0.00 N ATOM 447 CA LYS A 30 87.628 -23.592 -43.979 1.00 0.00 C ATOM 448 C LYS A 30 89.123 -23.442 -43.714 1.00 0.00 C ATOM 449 O LYS A 30 89.925 -23.369 -44.645 1.00 0.00 O ATOM 450 CB LYS A 30 87.101 -22.338 -44.678 1.00 0.00 C ATOM 451 CG LYS A 30 85.575 -22.291 -44.561 1.00 0.00 C ATOM 452 CD LYS A 30 84.970 -23.504 -45.270 1.00 0.00 C ATOM 453 CE LYS A 30 83.457 -23.320 -45.398 1.00 0.00 C ATOM 454 NZ LYS A 30 82.868 -24.508 -46.076 1.00 0.00 N ATOM 0 H LYS A 30 86.883 -23.001 -42.107 1.00 0.00 H new ATOM 0 HA LYS A 30 87.470 -24.457 -44.623 1.00 0.00 H new ATOM 0 HB2 LYS A 30 87.538 -21.447 -44.228 1.00 0.00 H new ATOM 0 HB3 LYS A 30 87.396 -22.343 -45.727 1.00 0.00 H new ATOM 0 HG2 LYS A 30 85.280 -22.286 -43.512 1.00 0.00 H new ATOM 0 HG3 LYS A 30 85.194 -21.371 -45.004 1.00 0.00 H new ATOM 0 HD2 LYS A 30 85.417 -23.622 -46.257 1.00 0.00 H new ATOM 0 HD3 LYS A 30 85.190 -24.413 -44.710 1.00 0.00 H new ATOM 0 HE2 LYS A 30 83.011 -23.192 -44.412 1.00 0.00 H new ATOM 0 HE3 LYS A 30 83.237 -22.417 -45.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 81.839 -24.383 -46.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 83.286 -24.610 -47.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 83.067 -25.361 -45.516 1.00 0.00 H new ATOM 468 N HIS A 31 89.490 -23.394 -42.437 1.00 0.00 N ATOM 469 CA HIS A 31 90.892 -23.251 -42.059 1.00 0.00 C ATOM 470 C HIS A 31 91.404 -21.859 -42.411 1.00 0.00 C ATOM 471 O HIS A 31 92.337 -21.712 -43.200 1.00 0.00 O ATOM 472 CB HIS A 31 91.737 -24.304 -42.779 1.00 0.00 C ATOM 473 CG HIS A 31 91.004 -25.617 -42.788 1.00 0.00 C ATOM 474 ND1 HIS A 31 91.109 -26.530 -41.751 1.00 0.00 N ATOM 475 CD2 HIS A 31 90.151 -26.185 -43.702 1.00 0.00 C ATOM 476 CE1 HIS A 31 90.338 -27.589 -42.062 1.00 0.00 C ATOM 477 NE2 HIS A 31 89.732 -27.429 -43.242 1.00 0.00 N ATOM 0 H HIS A 31 88.842 -23.452 -41.652 1.00 0.00 H new ATOM 0 HA HIS A 31 90.974 -23.393 -40.981 1.00 0.00 H new ATOM 0 HB2 HIS A 31 91.943 -23.984 -43.800 1.00 0.00 H new ATOM 0 HB3 HIS A 31 92.699 -24.416 -42.280 1.00 0.00 H new ATOM 0 HD2 HIS A 31 89.851 -25.734 -44.636 1.00 0.00 H new ATOM 0 HE1 HIS A 31 90.223 -28.461 -41.435 1.00 0.00 H new ATOM 0 HE2 HIS A 31 89.098 -28.080 -43.706 1.00 0.00 H new ATOM 485 N ALA A 32 90.789 -20.839 -41.821 1.00 0.00 N ATOM 486 CA ALA A 32 91.193 -19.463 -42.080 1.00 0.00 C ATOM 487 C ALA A 32 92.301 -19.040 -41.121 1.00 0.00 C ATOM 488 O ALA A 32 92.925 -19.878 -40.469 1.00 0.00 O ATOM 489 CB ALA A 32 89.994 -18.527 -41.921 1.00 0.00 C ATOM 0 H ALA A 32 90.014 -20.938 -41.165 1.00 0.00 H new ATOM 0 HA ALA A 32 91.569 -19.401 -43.101 1.00 0.00 H new ATOM 0 HB1 ALA A 32 90.305 -17.501 -42.116 1.00 0.00 H new ATOM 0 HB2 ALA A 32 89.215 -18.811 -42.628 1.00 0.00 H new ATOM 0 HB3 ALA A 32 89.607 -18.601 -40.905 1.00 0.00 H new ATOM 495 N ARG A 33 92.540 -17.735 -41.040 1.00 0.00 N ATOM 496 CA ARG A 33 93.582 -17.213 -40.163 1.00 0.00 C ATOM 497 C ARG A 33 92.973 -16.341 -39.070 1.00 0.00 C ATOM 498 O ARG A 33 93.296 -16.491 -37.892 1.00 0.00 O ATOM 499 CB ARG A 33 94.585 -16.392 -40.975 1.00 0.00 C ATOM 500 CG ARG A 33 95.196 -17.269 -42.070 1.00 0.00 C ATOM 501 CD ARG A 33 96.266 -16.476 -42.821 1.00 0.00 C ATOM 502 NE ARG A 33 96.585 -17.131 -44.084 1.00 0.00 N ATOM 503 CZ ARG A 33 97.772 -16.969 -44.661 1.00 0.00 C ATOM 504 NH1 ARG A 33 98.673 -16.212 -44.098 1.00 0.00 N ATOM 505 NH2 ARG A 33 98.035 -17.568 -45.790 1.00 0.00 N ATOM 0 H ARG A 33 92.031 -17.025 -41.566 1.00 0.00 H new ATOM 0 HA ARG A 33 94.095 -18.054 -39.697 1.00 0.00 H new ATOM 0 HB2 ARG A 33 94.089 -15.529 -41.420 1.00 0.00 H new ATOM 0 HB3 ARG A 33 95.369 -16.008 -40.323 1.00 0.00 H new ATOM 0 HG2 ARG A 33 95.634 -18.165 -41.631 1.00 0.00 H new ATOM 0 HG3 ARG A 33 94.421 -17.599 -42.761 1.00 0.00 H new ATOM 0 HD2 ARG A 33 95.913 -15.462 -43.008 1.00 0.00 H new ATOM 0 HD3 ARG A 33 97.164 -16.393 -42.209 1.00 0.00 H new ATOM 0 HE ARG A 33 95.886 -17.723 -44.532 1.00 0.00 H new ATOM 0 HH11 ARG A 33 98.467 -15.744 -43.215 1.00 0.00 H new ATOM 0 HH12 ARG A 33 99.584 -16.088 -44.541 1.00 0.00 H new ATOM 0 HH21 ARG A 33 97.330 -18.160 -46.229 1.00 0.00 H new ATOM 0 HH22 ARG A 33 98.945 -17.444 -46.233 1.00 0.00 H new ATOM 519 N SER A 34 92.092 -15.430 -39.468 1.00 0.00 N ATOM 520 CA SER A 34 91.485 -14.503 -38.520 1.00 0.00 C ATOM 521 C SER A 34 89.965 -14.620 -38.551 1.00 0.00 C ATOM 522 O SER A 34 89.275 -14.104 -37.672 1.00 0.00 O ATOM 523 CB SER A 34 91.894 -13.068 -38.857 1.00 0.00 C ATOM 524 OG SER A 34 90.935 -12.502 -39.741 1.00 0.00 O ATOM 0 H SER A 34 91.784 -15.314 -40.433 1.00 0.00 H new ATOM 0 HA SER A 34 91.837 -14.756 -37.520 1.00 0.00 H new ATOM 0 HB2 SER A 34 91.962 -12.473 -37.946 1.00 0.00 H new ATOM 0 HB3 SER A 34 92.882 -13.058 -39.318 1.00 0.00 H new ATOM 0 HG SER A 34 91.193 -11.582 -39.958 1.00 0.00 H new ATOM 530 N GLY A 35 89.450 -15.302 -39.570 1.00 0.00 N ATOM 531 CA GLY A 35 88.009 -15.469 -39.712 1.00 0.00 C ATOM 532 C GLY A 35 87.268 -14.220 -39.247 1.00 0.00 C ATOM 533 O GLY A 35 86.568 -14.242 -38.234 1.00 0.00 O ATOM 0 H GLY A 35 90.004 -15.744 -40.303 1.00 0.00 H new ATOM 0 HA2 GLY A 35 87.764 -15.676 -40.754 1.00 0.00 H new ATOM 0 HA3 GLY A 35 87.680 -16.330 -39.130 1.00 0.00 H new ATOM 537 N GLU A 36 87.427 -13.132 -39.993 1.00 0.00 N ATOM 538 CA GLU A 36 86.804 -11.867 -39.623 1.00 0.00 C ATOM 539 C GLU A 36 85.392 -11.779 -40.193 1.00 0.00 C ATOM 540 O GLU A 36 85.124 -12.265 -41.291 1.00 0.00 O ATOM 541 CB GLU A 36 87.641 -10.698 -40.146 1.00 0.00 C ATOM 542 CG GLU A 36 88.691 -10.313 -39.103 1.00 0.00 C ATOM 543 CD GLU A 36 88.018 -9.654 -37.903 1.00 0.00 C ATOM 544 OE1 GLU A 36 86.885 -9.223 -38.047 1.00 0.00 O ATOM 545 OE2 GLU A 36 88.644 -9.589 -36.859 1.00 0.00 O ATOM 0 H GLU A 36 87.978 -13.100 -40.851 1.00 0.00 H new ATOM 0 HA GLU A 36 86.749 -11.815 -38.536 1.00 0.00 H new ATOM 0 HB2 GLU A 36 88.127 -10.975 -41.081 1.00 0.00 H new ATOM 0 HB3 GLU A 36 86.998 -9.845 -40.362 1.00 0.00 H new ATOM 0 HG2 GLU A 36 89.238 -11.199 -38.782 1.00 0.00 H new ATOM 0 HG3 GLU A 36 89.419 -9.631 -39.542 1.00 0.00 H new ATOM 552 N CYS A 37 84.493 -11.156 -39.437 1.00 0.00 N ATOM 553 CA CYS A 37 83.112 -11.003 -39.879 1.00 0.00 C ATOM 554 C CYS A 37 82.970 -9.786 -40.786 1.00 0.00 C ATOM 555 O CYS A 37 83.768 -8.850 -40.715 1.00 0.00 O ATOM 556 CB CYS A 37 82.126 -10.774 -38.691 1.00 0.00 C ATOM 557 SG CYS A 37 81.370 -12.304 -38.088 1.00 0.00 S ATOM 0 H CYS A 37 84.694 -10.752 -38.522 1.00 0.00 H new ATOM 0 HA CYS A 37 82.867 -11.930 -40.397 1.00 0.00 H new ATOM 0 HB2 CYS A 37 82.660 -10.293 -37.872 1.00 0.00 H new ATOM 0 HB3 CYS A 37 81.340 -10.088 -39.006 1.00 0.00 H new ATOM 562 N PHE A 38 81.951 -9.804 -41.639 1.00 0.00 N ATOM 563 CA PHE A 38 81.694 -8.681 -42.534 1.00 0.00 C ATOM 564 C PHE A 38 80.198 -8.524 -42.781 1.00 0.00 C ATOM 565 O PHE A 38 79.405 -9.395 -42.422 1.00 0.00 O ATOM 566 CB PHE A 38 82.414 -8.901 -43.866 1.00 0.00 C ATOM 567 CG PHE A 38 83.905 -8.785 -43.659 1.00 0.00 C ATOM 568 CD1 PHE A 38 84.626 -9.866 -43.140 1.00 0.00 C ATOM 569 CD2 PHE A 38 84.567 -7.594 -43.985 1.00 0.00 C ATOM 570 CE1 PHE A 38 86.009 -9.758 -42.948 1.00 0.00 C ATOM 571 CE2 PHE A 38 85.949 -7.487 -43.793 1.00 0.00 C ATOM 572 CZ PHE A 38 86.670 -8.569 -43.274 1.00 0.00 C ATOM 0 H PHE A 38 81.293 -10.578 -41.730 1.00 0.00 H new ATOM 0 HA PHE A 38 82.069 -7.772 -42.064 1.00 0.00 H new ATOM 0 HB2 PHE A 38 82.167 -9.884 -44.267 1.00 0.00 H new ATOM 0 HB3 PHE A 38 82.080 -8.166 -44.598 1.00 0.00 H new ATOM 0 HD1 PHE A 38 84.116 -10.784 -42.887 1.00 0.00 H new ATOM 0 HD2 PHE A 38 84.011 -6.759 -44.384 1.00 0.00 H new ATOM 0 HE1 PHE A 38 86.565 -10.593 -42.548 1.00 0.00 H new ATOM 0 HE2 PHE A 38 86.460 -6.569 -44.045 1.00 0.00 H new ATOM 0 HZ PHE A 38 87.736 -8.486 -43.125 1.00 0.00 H new ATOM 582 N TYR A 39 79.819 -7.411 -43.399 1.00 0.00 N ATOM 583 CA TYR A 39 78.414 -7.151 -43.691 1.00 0.00 C ATOM 584 C TYR A 39 78.091 -7.514 -45.136 1.00 0.00 C ATOM 585 O TYR A 39 78.729 -7.022 -46.067 1.00 0.00 O ATOM 586 CB TYR A 39 78.093 -5.675 -43.449 1.00 0.00 C ATOM 587 CG TYR A 39 78.085 -5.398 -41.964 1.00 0.00 C ATOM 588 CD1 TYR A 39 76.900 -5.541 -41.232 1.00 0.00 C ATOM 589 CD2 TYR A 39 79.263 -4.999 -41.321 1.00 0.00 C ATOM 590 CE1 TYR A 39 76.893 -5.285 -39.855 1.00 0.00 C ATOM 591 CE2 TYR A 39 79.256 -4.744 -39.944 1.00 0.00 C ATOM 592 CZ TYR A 39 78.071 -4.887 -39.212 1.00 0.00 C ATOM 593 OH TYR A 39 78.065 -4.634 -37.855 1.00 0.00 O ATOM 0 H TYR A 39 80.460 -6.679 -43.706 1.00 0.00 H new ATOM 0 HA TYR A 39 77.806 -7.767 -43.029 1.00 0.00 H new ATOM 0 HB2 TYR A 39 78.833 -5.045 -43.943 1.00 0.00 H new ATOM 0 HB3 TYR A 39 77.124 -5.427 -43.881 1.00 0.00 H new ATOM 0 HD1 TYR A 39 75.992 -5.849 -41.729 1.00 0.00 H new ATOM 0 HD2 TYR A 39 80.176 -4.888 -41.887 1.00 0.00 H new ATOM 0 HE1 TYR A 39 75.979 -5.395 -39.290 1.00 0.00 H new ATOM 0 HE2 TYR A 39 80.164 -4.437 -39.447 1.00 0.00 H new ATOM 0 HH TYR A 39 78.964 -4.370 -37.568 1.00 0.00 H new ATOM 603 N ASP A 40 77.099 -8.380 -45.316 1.00 0.00 N ATOM 604 CA ASP A 40 76.700 -8.803 -46.654 1.00 0.00 C ATOM 605 C ASP A 40 75.416 -8.097 -47.080 1.00 0.00 C ATOM 606 O ASP A 40 75.060 -7.054 -46.534 1.00 0.00 O ATOM 607 CB ASP A 40 76.485 -10.317 -46.680 1.00 0.00 C ATOM 608 CG ASP A 40 77.813 -11.036 -46.466 1.00 0.00 C ATOM 609 OD1 ASP A 40 78.818 -10.357 -46.337 1.00 0.00 O ATOM 610 OD2 ASP A 40 77.804 -12.255 -46.436 1.00 0.00 O ATOM 0 H ASP A 40 76.560 -8.800 -44.559 1.00 0.00 H new ATOM 0 HA ASP A 40 77.495 -8.537 -47.351 1.00 0.00 H new ATOM 0 HB2 ASP A 40 75.777 -10.605 -45.903 1.00 0.00 H new ATOM 0 HB3 ASP A 40 76.050 -10.615 -47.634 1.00 0.00 H new ATOM 615 N GLU A 41 74.727 -8.674 -48.059 1.00 0.00 N ATOM 616 CA GLU A 41 73.487 -8.089 -48.555 1.00 0.00 C ATOM 617 C GLU A 41 72.432 -8.057 -47.455 1.00 0.00 C ATOM 618 O GLU A 41 71.501 -7.252 -47.496 1.00 0.00 O ATOM 619 CB GLU A 41 72.965 -8.900 -49.742 1.00 0.00 C ATOM 620 CG GLU A 41 73.988 -8.861 -50.878 1.00 0.00 C ATOM 621 CD GLU A 41 74.123 -7.438 -51.412 1.00 0.00 C ATOM 622 OE1 GLU A 41 73.235 -6.643 -51.152 1.00 0.00 O ATOM 623 OE2 GLU A 41 75.112 -7.165 -52.071 1.00 0.00 O ATOM 0 H GLU A 41 75.004 -9.540 -48.522 1.00 0.00 H new ATOM 0 HA GLU A 41 73.692 -7.068 -48.875 1.00 0.00 H new ATOM 0 HB2 GLU A 41 72.782 -9.931 -49.439 1.00 0.00 H new ATOM 0 HB3 GLU A 41 72.012 -8.494 -50.082 1.00 0.00 H new ATOM 0 HG2 GLU A 41 74.954 -9.217 -50.520 1.00 0.00 H new ATOM 0 HG3 GLU A 41 73.678 -9.531 -51.680 1.00 0.00 H new ATOM 630 N LYS A 42 72.584 -8.937 -46.470 1.00 0.00 N ATOM 631 CA LYS A 42 71.635 -9.003 -45.364 1.00 0.00 C ATOM 632 C LYS A 42 72.167 -8.239 -44.156 1.00 0.00 C ATOM 633 O LYS A 42 71.717 -8.449 -43.030 1.00 0.00 O ATOM 634 CB LYS A 42 71.384 -10.462 -44.978 1.00 0.00 C ATOM 635 CG LYS A 42 70.838 -11.224 -46.186 1.00 0.00 C ATOM 636 CD LYS A 42 70.323 -12.593 -45.737 1.00 0.00 C ATOM 637 CE LYS A 42 71.487 -13.422 -45.191 1.00 0.00 C ATOM 638 NZ LYS A 42 71.110 -14.864 -45.183 1.00 0.00 N ATOM 0 H LYS A 42 73.349 -9.609 -46.415 1.00 0.00 H new ATOM 0 HA LYS A 42 70.699 -8.546 -45.685 1.00 0.00 H new ATOM 0 HB2 LYS A 42 72.310 -10.922 -44.633 1.00 0.00 H new ATOM 0 HB3 LYS A 42 70.675 -10.514 -44.152 1.00 0.00 H new ATOM 0 HG2 LYS A 42 70.033 -10.657 -46.654 1.00 0.00 H new ATOM 0 HG3 LYS A 42 71.620 -11.346 -46.936 1.00 0.00 H new ATOM 0 HD2 LYS A 42 69.558 -12.472 -44.970 1.00 0.00 H new ATOM 0 HD3 LYS A 42 69.856 -13.110 -46.575 1.00 0.00 H new ATOM 0 HE2 LYS A 42 72.375 -13.271 -45.805 1.00 0.00 H new ATOM 0 HE3 LYS A 42 71.738 -13.095 -44.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 71.901 -15.428 -44.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 70.274 -15.001 -44.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 70.891 -15.171 -46.152 1.00 0.00 H new ATOM 652 N ARG A 43 73.127 -7.353 -44.399 1.00 0.00 N ATOM 653 CA ARG A 43 73.724 -6.574 -43.320 1.00 0.00 C ATOM 654 C ARG A 43 74.008 -7.462 -42.112 1.00 0.00 C ATOM 655 O ARG A 43 74.072 -6.984 -40.979 1.00 0.00 O ATOM 656 CB ARG A 43 72.783 -5.440 -42.912 1.00 0.00 C ATOM 657 CG ARG A 43 72.987 -4.246 -43.848 1.00 0.00 C ATOM 658 CD ARG A 43 71.797 -3.294 -43.727 1.00 0.00 C ATOM 659 NE ARG A 43 71.248 -3.340 -42.376 1.00 0.00 N ATOM 660 CZ ARG A 43 70.561 -2.317 -41.878 1.00 0.00 C ATOM 661 NH1 ARG A 43 70.366 -1.248 -42.601 1.00 0.00 N ATOM 662 NH2 ARG A 43 70.079 -2.383 -40.667 1.00 0.00 N ATOM 0 H ARG A 43 73.506 -7.157 -45.326 1.00 0.00 H new ATOM 0 HA ARG A 43 74.664 -6.154 -43.677 1.00 0.00 H new ATOM 0 HB2 ARG A 43 71.748 -5.778 -42.957 1.00 0.00 H new ATOM 0 HB3 ARG A 43 72.977 -5.145 -41.881 1.00 0.00 H new ATOM 0 HG2 ARG A 43 73.910 -3.725 -43.594 1.00 0.00 H new ATOM 0 HG3 ARG A 43 73.088 -4.590 -44.877 1.00 0.00 H new ATOM 0 HD2 ARG A 43 72.110 -2.277 -43.965 1.00 0.00 H new ATOM 0 HD3 ARG A 43 71.028 -3.568 -44.449 1.00 0.00 H new ATOM 0 HE ARG A 43 71.394 -4.172 -41.804 1.00 0.00 H new ATOM 0 HH11 ARG A 43 70.741 -1.198 -43.548 1.00 0.00 H new ATOM 0 HH12 ARG A 43 69.839 -0.463 -42.219 1.00 0.00 H new ATOM 0 HH21 ARG A 43 70.230 -3.219 -40.103 1.00 0.00 H new ATOM 0 HH22 ARG A 43 69.552 -1.598 -40.284 1.00 0.00 H new ATOM 676 N ASN A 44 74.176 -8.757 -42.362 1.00 0.00 N ATOM 677 CA ASN A 44 74.458 -9.702 -41.288 1.00 0.00 C ATOM 678 C ASN A 44 75.958 -9.951 -41.173 1.00 0.00 C ATOM 679 O ASN A 44 76.683 -9.902 -42.167 1.00 0.00 O ATOM 680 CB ASN A 44 73.738 -11.025 -41.555 1.00 0.00 C ATOM 681 CG ASN A 44 72.282 -10.925 -41.114 1.00 0.00 C ATOM 682 OD1 ASN A 44 71.838 -9.866 -40.670 1.00 0.00 O ATOM 683 ND2 ASN A 44 71.506 -11.970 -41.212 1.00 0.00 N ATOM 0 H ASN A 44 74.122 -9.173 -43.292 1.00 0.00 H new ATOM 0 HA ASN A 44 74.100 -9.276 -40.351 1.00 0.00 H new ATOM 0 HB2 ASN A 44 73.789 -11.269 -42.616 1.00 0.00 H new ATOM 0 HB3 ASN A 44 74.234 -11.833 -41.018 1.00 0.00 H new ATOM 0 HD21 ASN A 44 70.530 -11.910 -40.921 1.00 0.00 H new ATOM 0 HD22 ASN A 44 71.875 -12.847 -41.580 1.00 0.00 H new ATOM 690 N LEU A 45 76.417 -10.217 -39.954 1.00 0.00 N ATOM 691 CA LEU A 45 77.830 -10.495 -39.725 1.00 0.00 C ATOM 692 C LEU A 45 78.161 -11.938 -40.096 1.00 0.00 C ATOM 693 O LEU A 45 77.773 -12.873 -39.396 1.00 0.00 O ATOM 694 CB LEU A 45 78.180 -10.252 -38.256 1.00 0.00 C ATOM 695 CG LEU A 45 77.327 -9.104 -37.712 1.00 0.00 C ATOM 696 CD1 LEU A 45 77.663 -8.871 -36.238 1.00 0.00 C ATOM 697 CD2 LEU A 45 77.620 -7.831 -38.508 1.00 0.00 C ATOM 0 H LEU A 45 75.836 -10.246 -39.116 1.00 0.00 H new ATOM 0 HA LEU A 45 78.417 -9.826 -40.354 1.00 0.00 H new ATOM 0 HB2 LEU A 45 78.004 -11.157 -37.675 1.00 0.00 H new ATOM 0 HB3 LEU A 45 79.238 -10.011 -38.158 1.00 0.00 H new ATOM 0 HG LEU A 45 76.272 -9.359 -37.808 1.00 0.00 H new ATOM 0 HD11 LEU A 45 77.055 -8.053 -35.851 1.00 0.00 H new ATOM 0 HD12 LEU A 45 77.455 -9.778 -35.670 1.00 0.00 H new ATOM 0 HD13 LEU A 45 78.718 -8.616 -36.141 1.00 0.00 H new ATOM 0 HD21 LEU A 45 77.013 -7.012 -38.121 1.00 0.00 H new ATOM 0 HD22 LEU A 45 78.676 -7.577 -38.412 1.00 0.00 H new ATOM 0 HD23 LEU A 45 77.381 -7.996 -39.559 1.00 0.00 H new ATOM 709 N GLN A 46 78.880 -12.109 -41.200 1.00 0.00 N ATOM 710 CA GLN A 46 79.235 -13.444 -41.669 1.00 0.00 C ATOM 711 C GLN A 46 80.733 -13.686 -41.507 1.00 0.00 C ATOM 712 O GLN A 46 81.553 -12.938 -42.038 1.00 0.00 O ATOM 713 CB GLN A 46 78.846 -13.602 -43.140 1.00 0.00 C ATOM 714 CG GLN A 46 77.378 -13.216 -43.325 1.00 0.00 C ATOM 715 CD GLN A 46 76.478 -14.263 -42.678 1.00 0.00 C ATOM 716 OE1 GLN A 46 76.962 -15.285 -42.194 1.00 0.00 O ATOM 717 NE2 GLN A 46 75.188 -14.067 -42.640 1.00 0.00 N ATOM 0 H GLN A 46 79.226 -11.347 -41.783 1.00 0.00 H new ATOM 0 HA GLN A 46 78.693 -14.176 -41.071 1.00 0.00 H new ATOM 0 HB2 GLN A 46 79.480 -12.972 -43.764 1.00 0.00 H new ATOM 0 HB3 GLN A 46 79.005 -14.632 -43.460 1.00 0.00 H new ATOM 0 HG2 GLN A 46 77.191 -12.239 -42.880 1.00 0.00 H new ATOM 0 HG3 GLN A 46 77.147 -13.132 -44.387 1.00 0.00 H new ATOM 0 HE21 GLN A 46 74.789 -13.219 -43.042 1.00 0.00 H new ATOM 0 HE22 GLN A 46 74.579 -14.762 -42.208 1.00 0.00 H new ATOM 726 N CYS A 47 81.082 -14.736 -40.770 1.00 0.00 N ATOM 727 CA CYS A 47 82.485 -15.082 -40.568 1.00 0.00 C ATOM 728 C CYS A 47 83.162 -15.376 -41.904 1.00 0.00 C ATOM 729 O CYS A 47 82.869 -16.381 -42.552 1.00 0.00 O ATOM 730 CB CYS A 47 82.638 -16.317 -39.667 1.00 0.00 C ATOM 731 SG CYS A 47 81.725 -16.134 -38.114 1.00 0.00 S ATOM 0 H CYS A 47 80.419 -15.357 -40.306 1.00 0.00 H new ATOM 0 HA CYS A 47 82.957 -14.226 -40.086 1.00 0.00 H new ATOM 0 HB2 CYS A 47 82.281 -17.200 -40.197 1.00 0.00 H new ATOM 0 HB3 CYS A 47 83.694 -16.481 -39.451 1.00 0.00 H new ATOM 736 N ILE A 48 84.069 -14.492 -42.308 1.00 0.00 N ATOM 737 CA ILE A 48 84.771 -14.659 -43.576 1.00 0.00 C ATOM 738 C ILE A 48 86.174 -15.209 -43.344 1.00 0.00 C ATOM 739 O ILE A 48 86.997 -14.577 -42.679 1.00 0.00 O ATOM 740 CB ILE A 48 84.860 -13.317 -44.303 1.00 0.00 C ATOM 741 CG1 ILE A 48 83.453 -12.846 -44.679 1.00 0.00 C ATOM 742 CG2 ILE A 48 85.698 -13.479 -45.574 1.00 0.00 C ATOM 743 CD1 ILE A 48 83.547 -11.763 -45.755 1.00 0.00 C ATOM 0 H ILE A 48 84.334 -13.660 -41.781 1.00 0.00 H new ATOM 0 HA ILE A 48 84.213 -15.368 -44.188 1.00 0.00 H new ATOM 0 HB ILE A 48 85.328 -12.581 -43.649 1.00 0.00 H new ATOM 0 HG12 ILE A 48 82.862 -13.686 -45.044 1.00 0.00 H new ATOM 0 HG13 ILE A 48 82.942 -12.456 -43.799 1.00 0.00 H new ATOM 0 HG21 ILE A 48 85.761 -12.522 -46.092 1.00 0.00 H new ATOM 0 HG22 ILE A 48 86.700 -13.815 -45.309 1.00 0.00 H new ATOM 0 HG23 ILE A 48 85.230 -14.215 -46.227 1.00 0.00 H new ATOM 0 HD11 ILE A 48 82.545 -11.428 -46.022 1.00 0.00 H new ATOM 0 HD12 ILE A 48 84.122 -10.919 -45.373 1.00 0.00 H new ATOM 0 HD13 ILE A 48 84.041 -12.169 -46.638 1.00 0.00 H new ATOM 755 N CYS A 49 86.441 -16.388 -43.895 1.00 0.00 N ATOM 756 CA CYS A 49 87.759 -17.000 -43.763 1.00 0.00 C ATOM 757 C CYS A 49 88.755 -16.335 -44.707 1.00 0.00 C ATOM 758 O CYS A 49 88.559 -16.320 -45.923 1.00 0.00 O ATOM 759 CB CYS A 49 87.660 -18.475 -44.124 1.00 0.00 C ATOM 760 SG CYS A 49 86.663 -19.418 -42.944 1.00 0.00 S ATOM 0 H CYS A 49 85.769 -16.935 -44.433 1.00 0.00 H new ATOM 0 HA CYS A 49 88.101 -16.877 -42.735 1.00 0.00 H new ATOM 0 HB2 CYS A 49 87.227 -18.573 -45.119 1.00 0.00 H new ATOM 0 HB3 CYS A 49 88.662 -18.902 -44.169 1.00 0.00 H new ATOM 765 N ASP A 50 89.824 -15.785 -44.139 1.00 0.00 N ATOM 766 CA ASP A 50 90.826 -15.089 -44.936 1.00 0.00 C ATOM 767 C ASP A 50 92.168 -15.810 -44.858 1.00 0.00 C ATOM 768 O ASP A 50 92.797 -15.856 -43.801 1.00 0.00 O ATOM 769 CB ASP A 50 90.986 -13.653 -44.437 1.00 0.00 C ATOM 770 CG ASP A 50 89.623 -13.066 -44.088 1.00 0.00 C ATOM 771 OD1 ASP A 50 88.630 -13.719 -44.367 1.00 0.00 O ATOM 772 OD2 ASP A 50 89.590 -11.972 -43.550 1.00 0.00 O ATOM 0 H ASP A 50 90.017 -15.808 -43.138 1.00 0.00 H new ATOM 0 HA ASP A 50 90.493 -15.077 -45.974 1.00 0.00 H new ATOM 0 HB2 ASP A 50 91.634 -13.634 -43.561 1.00 0.00 H new ATOM 0 HB3 ASP A 50 91.467 -13.045 -45.203 1.00 0.00 H new ATOM 777 N TYR A 51 92.600 -16.370 -45.983 1.00 0.00 N ATOM 778 CA TYR A 51 93.896 -17.033 -46.046 1.00 0.00 C ATOM 779 C TYR A 51 94.890 -16.194 -46.843 1.00 0.00 C ATOM 780 O TYR A 51 95.387 -16.626 -47.884 1.00 0.00 O ATOM 781 CB TYR A 51 93.747 -18.409 -46.697 1.00 0.00 C ATOM 782 CG TYR A 51 92.314 -18.872 -46.568 1.00 0.00 C ATOM 783 CD1 TYR A 51 91.316 -18.285 -47.354 1.00 0.00 C ATOM 784 CD2 TYR A 51 91.985 -19.888 -45.663 1.00 0.00 C ATOM 785 CE1 TYR A 51 89.988 -18.713 -47.235 1.00 0.00 C ATOM 786 CE2 TYR A 51 90.658 -20.317 -45.544 1.00 0.00 C ATOM 787 CZ TYR A 51 89.659 -19.729 -46.330 1.00 0.00 C ATOM 788 OH TYR A 51 88.350 -20.151 -46.212 1.00 0.00 O ATOM 0 H TYR A 51 92.075 -16.378 -46.858 1.00 0.00 H new ATOM 0 HA TYR A 51 94.272 -17.151 -45.030 1.00 0.00 H new ATOM 0 HB2 TYR A 51 94.032 -18.359 -47.748 1.00 0.00 H new ATOM 0 HB3 TYR A 51 94.416 -19.124 -46.219 1.00 0.00 H new ATOM 0 HD1 TYR A 51 91.570 -17.502 -48.053 1.00 0.00 H new ATOM 0 HD2 TYR A 51 92.755 -20.341 -45.056 1.00 0.00 H new ATOM 0 HE1 TYR A 51 89.218 -18.259 -47.841 1.00 0.00 H new ATOM 0 HE2 TYR A 51 90.404 -21.101 -44.846 1.00 0.00 H new ATOM 0 HH TYR A 51 88.088 -20.636 -47.023 1.00 0.00 H new ATOM 798 N CYS A 52 95.175 -14.994 -46.348 1.00 0.00 N ATOM 799 CA CYS A 52 96.090 -14.091 -47.037 1.00 0.00 C ATOM 800 C CYS A 52 96.424 -12.892 -46.155 1.00 0.00 C ATOM 801 O CYS A 52 96.120 -12.883 -44.961 1.00 0.00 O ATOM 802 CB CYS A 52 95.459 -13.606 -48.344 1.00 0.00 C ATOM 803 SG CYS A 52 95.739 -14.835 -49.641 1.00 0.00 S ATOM 0 H CYS A 52 94.789 -14.626 -45.479 1.00 0.00 H new ATOM 0 HA CYS A 52 97.010 -14.633 -47.257 1.00 0.00 H new ATOM 0 HB2 CYS A 52 94.390 -13.444 -48.206 1.00 0.00 H new ATOM 0 HB3 CYS A 52 95.891 -12.649 -48.636 1.00 0.00 H new ATOM 808 N GLU A 53 97.051 -11.883 -46.750 1.00 0.00 N ATOM 809 CA GLU A 53 97.408 -10.677 -46.011 1.00 0.00 C ATOM 810 C GLU A 53 96.358 -9.590 -46.220 1.00 0.00 C ATOM 811 O GLU A 53 96.580 -8.633 -46.962 1.00 0.00 O ATOM 812 CB GLU A 53 98.773 -10.166 -46.475 1.00 0.00 C ATOM 813 CG GLU A 53 99.232 -9.030 -45.557 1.00 0.00 C ATOM 814 CD GLU A 53 100.551 -8.455 -46.060 1.00 0.00 C ATOM 815 OE1 GLU A 53 101.018 -8.908 -47.091 1.00 0.00 O ATOM 816 OE2 GLU A 53 101.076 -7.569 -45.405 1.00 0.00 O ATOM 0 H GLU A 53 97.321 -11.875 -47.734 1.00 0.00 H new ATOM 0 HA GLU A 53 97.453 -10.923 -44.950 1.00 0.00 H new ATOM 0 HB2 GLU A 53 99.501 -10.977 -46.460 1.00 0.00 H new ATOM 0 HB3 GLU A 53 98.710 -9.813 -47.504 1.00 0.00 H new ATOM 0 HG2 GLU A 53 98.473 -8.248 -45.525 1.00 0.00 H new ATOM 0 HG3 GLU A 53 99.352 -9.400 -44.539 1.00 0.00 H new ATOM 823 N TYR A 54 95.214 -9.745 -45.561 1.00 0.00 N ATOM 824 CA TYR A 54 94.139 -8.766 -45.676 1.00 0.00 C ATOM 825 C TYR A 54 94.702 -7.347 -45.660 1.00 0.00 C ATOM 826 CB TYR A 54 93.151 -8.937 -44.521 1.00 0.00 C ATOM 827 CG TYR A 54 93.911 -9.108 -43.228 1.00 0.00 C ATOM 828 CD1 TYR A 54 94.279 -10.389 -42.797 1.00 0.00 C ATOM 829 CD2 TYR A 54 94.250 -7.988 -42.462 1.00 0.00 C ATOM 830 CE1 TYR A 54 94.984 -10.548 -41.598 1.00 0.00 C ATOM 831 CE2 TYR A 54 94.955 -8.146 -41.263 1.00 0.00 C ATOM 832 CZ TYR A 54 95.322 -9.426 -40.831 1.00 0.00 C ATOM 833 OH TYR A 54 96.017 -9.583 -39.649 1.00 0.00 O ATOM 0 H TYR A 54 95.008 -10.533 -44.946 1.00 0.00 H new ATOM 0 HA TYR A 54 93.624 -8.930 -46.622 1.00 0.00 H new ATOM 0 HB2 TYR A 54 92.496 -8.068 -44.458 1.00 0.00 H new ATOM 0 HB3 TYR A 54 92.515 -9.804 -44.698 1.00 0.00 H new ATOM 0 HD1 TYR A 54 94.019 -11.254 -43.389 1.00 0.00 H new ATOM 0 HD2 TYR A 54 93.968 -7.000 -42.796 1.00 0.00 H new ATOM 0 HE1 TYR A 54 95.267 -11.535 -41.265 1.00 0.00 H new ATOM 0 HE2 TYR A 54 95.216 -7.281 -40.672 1.00 0.00 H new ATOM 0 HH TYR A 54 96.172 -8.705 -39.242 1.00 0.00 H new TER 843 TYR A 54