USER MOD reduce.3.24.130724 H: found=0, std=0, add=386, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 386 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 -142:sc= 0.105 USER MOD Set 1.2: A 11 TYR OH : rot -151:sc= -0.92 USER MOD Single : A 5 LYS NZ :NH3+ -135:sc= -0.918 (180deg=-2.95!) USER MOD Single : A 6 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.149) USER MOD Single : A 10 ASN : amide:sc= -0.743 K(o=-0.74,f=-2.2!) USER MOD Single : A 14 SER OG : rot 180:sc= 0.00133 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -2.84 X(o=-2.8,f=-2.7) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 21 GLN : amide:sc= -4.4! C(o=-4.4!,f=-9.5!) USER MOD Single : A 23 ASN : amide:sc= -3.21! C(o=-3.2!,f=-9.6!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -137:sc= -2.89! (180deg=-5.24!) USER MOD Single : A 30 LYS NZ :NH3+ 172:sc= -2.22 (180deg=-2.49) USER MOD Single : A 31 HIS : no HD1:sc= -1.92! K(o=-1.9!,f=-0.88) USER MOD Single : A 34 SER OG : rot -19:sc= 0.409 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -157:sc= -1.43 (180deg=-2.14) USER MOD Single : A 44 ASN : amide:sc= -0.109 K(o=-0.11,f=-2.2!) USER MOD Single : A 46 GLN : amide:sc= -0.536 K(o=-0.54,f=-3.6!) USER MOD Single : A 51 TYR OH : rot 50:sc= -3.31 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 35 N CYS A 4 91.220 -14.415 -51.647 1.00 0.00 N ATOM 36 CA CYS A 4 91.495 -15.200 -50.449 1.00 0.00 C ATOM 37 C CYS A 4 90.337 -15.119 -49.465 1.00 0.00 C ATOM 38 O CYS A 4 90.086 -16.050 -48.701 1.00 0.00 O ATOM 39 CB CYS A 4 92.742 -14.660 -49.746 1.00 0.00 C ATOM 40 SG CYS A 4 94.142 -14.693 -50.893 1.00 0.00 S ATOM 0 HA CYS A 4 91.642 -16.234 -50.761 1.00 0.00 H new ATOM 0 HB2 CYS A 4 92.565 -13.642 -49.400 1.00 0.00 H new ATOM 0 HB3 CYS A 4 92.965 -15.262 -48.865 1.00 0.00 H new ATOM 45 N LYS A 5 89.643 -13.986 -49.477 1.00 0.00 N ATOM 46 CA LYS A 5 88.523 -13.777 -48.565 1.00 0.00 C ATOM 47 C LYS A 5 87.293 -14.542 -49.044 1.00 0.00 C ATOM 48 O LYS A 5 86.759 -14.267 -50.118 1.00 0.00 O ATOM 49 CB LYS A 5 88.197 -12.286 -48.472 1.00 0.00 C ATOM 50 CG LYS A 5 89.497 -11.478 -48.466 1.00 0.00 C ATOM 51 CD LYS A 5 90.380 -11.939 -47.304 1.00 0.00 C ATOM 52 CE LYS A 5 91.555 -10.973 -47.141 1.00 0.00 C ATOM 53 NZ LYS A 5 91.086 -9.729 -46.468 1.00 0.00 N ATOM 0 H LYS A 5 89.834 -13.203 -50.103 1.00 0.00 H new ATOM 0 HA LYS A 5 88.806 -14.148 -47.580 1.00 0.00 H new ATOM 0 HB2 LYS A 5 87.574 -11.986 -49.315 1.00 0.00 H new ATOM 0 HB3 LYS A 5 87.626 -12.084 -47.566 1.00 0.00 H new ATOM 0 HG2 LYS A 5 90.024 -11.610 -49.411 1.00 0.00 H new ATOM 0 HG3 LYS A 5 89.276 -10.415 -48.369 1.00 0.00 H new ATOM 0 HD2 LYS A 5 89.797 -11.978 -46.384 1.00 0.00 H new ATOM 0 HD3 LYS A 5 90.748 -12.948 -47.491 1.00 0.00 H new ATOM 0 HE2 LYS A 5 92.345 -11.441 -46.554 1.00 0.00 H new ATOM 0 HE3 LYS A 5 91.981 -10.734 -48.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 91.474 -8.900 -46.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 90.047 -9.691 -46.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 91.409 -9.726 -45.479 1.00 0.00 H new ATOM 67 N LYS A 6 86.850 -15.502 -48.239 1.00 0.00 N ATOM 68 CA LYS A 6 85.674 -16.293 -48.583 1.00 0.00 C ATOM 69 C LYS A 6 84.634 -16.218 -47.470 1.00 0.00 C ATOM 70 O LYS A 6 84.969 -16.301 -46.289 1.00 0.00 O ATOM 71 CB LYS A 6 86.075 -17.751 -48.816 1.00 0.00 C ATOM 72 CG LYS A 6 87.055 -17.831 -49.988 1.00 0.00 C ATOM 73 CD LYS A 6 87.266 -19.295 -50.379 1.00 0.00 C ATOM 74 CE LYS A 6 88.386 -19.392 -51.417 1.00 0.00 C ATOM 75 NZ LYS A 6 87.931 -18.777 -52.697 1.00 0.00 N ATOM 0 H LYS A 6 87.284 -15.750 -47.350 1.00 0.00 H new ATOM 0 HA LYS A 6 85.240 -15.887 -49.497 1.00 0.00 H new ATOM 0 HB2 LYS A 6 86.534 -18.161 -47.916 1.00 0.00 H new ATOM 0 HB3 LYS A 6 85.191 -18.353 -49.026 1.00 0.00 H new ATOM 0 HG2 LYS A 6 86.668 -17.269 -50.838 1.00 0.00 H new ATOM 0 HG3 LYS A 6 88.007 -17.377 -49.712 1.00 0.00 H new ATOM 0 HD2 LYS A 6 87.521 -19.884 -49.498 1.00 0.00 H new ATOM 0 HD3 LYS A 6 86.343 -19.710 -50.785 1.00 0.00 H new ATOM 0 HE2 LYS A 6 89.279 -18.883 -51.053 1.00 0.00 H new ATOM 0 HE3 LYS A 6 88.658 -20.435 -51.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 88.618 -18.990 -53.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 87.002 -19.165 -52.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 87.855 -17.746 -52.579 1.00 0.00 H new ATOM 89 N VAL A 7 83.371 -16.064 -47.855 1.00 0.00 N ATOM 90 CA VAL A 7 82.294 -15.957 -46.879 1.00 0.00 C ATOM 91 C VAL A 7 81.437 -17.220 -46.882 1.00 0.00 C ATOM 92 O VAL A 7 80.969 -17.661 -47.931 1.00 0.00 O ATOM 93 CB VAL A 7 81.416 -14.745 -47.197 1.00 0.00 C ATOM 94 CG1 VAL A 7 80.776 -14.925 -48.574 1.00 0.00 C ATOM 95 CG2 VAL A 7 80.318 -14.619 -46.139 1.00 0.00 C ATOM 0 H VAL A 7 83.070 -16.011 -48.828 1.00 0.00 H new ATOM 0 HA VAL A 7 82.739 -15.835 -45.891 1.00 0.00 H new ATOM 0 HB VAL A 7 82.029 -13.843 -47.196 1.00 0.00 H new ATOM 0 HG11 VAL A 7 80.151 -14.061 -48.800 1.00 0.00 H new ATOM 0 HG12 VAL A 7 81.557 -15.015 -49.329 1.00 0.00 H new ATOM 0 HG13 VAL A 7 80.164 -15.827 -48.576 1.00 0.00 H new ATOM 0 HG21 VAL A 7 79.692 -13.756 -46.365 1.00 0.00 H new ATOM 0 HG22 VAL A 7 79.706 -15.521 -46.140 1.00 0.00 H new ATOM 0 HG23 VAL A 7 80.772 -14.490 -45.157 1.00 0.00 H new ATOM 105 N TYR A 8 81.238 -17.795 -45.699 1.00 0.00 N ATOM 106 CA TYR A 8 80.390 -18.975 -45.569 1.00 0.00 C ATOM 107 C TYR A 8 79.513 -18.868 -44.326 1.00 0.00 C ATOM 108 O TYR A 8 80.013 -18.853 -43.201 1.00 0.00 O ATOM 109 CB TYR A 8 81.256 -20.234 -45.481 1.00 0.00 C ATOM 110 CG TYR A 8 81.662 -20.469 -44.045 1.00 0.00 C ATOM 111 CD1 TYR A 8 82.840 -19.897 -43.548 1.00 0.00 C ATOM 112 CD2 TYR A 8 80.862 -21.259 -43.211 1.00 0.00 C ATOM 113 CE1 TYR A 8 83.216 -20.115 -42.218 1.00 0.00 C ATOM 114 CE2 TYR A 8 81.238 -21.477 -41.881 1.00 0.00 C ATOM 115 CZ TYR A 8 82.416 -20.906 -41.384 1.00 0.00 C ATOM 116 OH TYR A 8 82.787 -21.121 -40.072 1.00 0.00 O ATOM 0 H TYR A 8 81.648 -17.467 -44.825 1.00 0.00 H new ATOM 0 HA TYR A 8 79.748 -19.038 -46.448 1.00 0.00 H new ATOM 0 HB2 TYR A 8 80.704 -21.095 -45.859 1.00 0.00 H new ATOM 0 HB3 TYR A 8 82.142 -20.123 -46.107 1.00 0.00 H new ATOM 0 HD1 TYR A 8 83.458 -19.288 -44.191 1.00 0.00 H new ATOM 0 HD2 TYR A 8 79.954 -21.701 -43.594 1.00 0.00 H new ATOM 0 HE1 TYR A 8 84.124 -19.673 -41.834 1.00 0.00 H new ATOM 0 HE2 TYR A 8 80.620 -22.086 -41.238 1.00 0.00 H new ATOM 0 HH TYR A 8 82.575 -22.044 -39.819 1.00 0.00 H new ATOM 126 N GLU A 9 78.203 -18.791 -44.539 1.00 0.00 N ATOM 127 CA GLU A 9 77.268 -18.603 -43.436 1.00 0.00 C ATOM 128 C GLU A 9 77.201 -19.855 -42.566 1.00 0.00 C ATOM 129 O GLU A 9 77.844 -19.930 -41.519 1.00 0.00 O ATOM 130 CB GLU A 9 75.876 -18.282 -43.979 1.00 0.00 C ATOM 131 CG GLU A 9 75.973 -17.131 -44.983 1.00 0.00 C ATOM 132 CD GLU A 9 74.578 -16.722 -45.443 1.00 0.00 C ATOM 133 OE1 GLU A 9 73.637 -17.427 -45.117 1.00 0.00 O ATOM 134 OE2 GLU A 9 74.472 -15.710 -46.116 1.00 0.00 O ATOM 0 H GLU A 9 77.767 -18.855 -45.459 1.00 0.00 H new ATOM 0 HA GLU A 9 77.621 -17.771 -42.826 1.00 0.00 H new ATOM 0 HB2 GLU A 9 75.449 -19.163 -44.459 1.00 0.00 H new ATOM 0 HB3 GLU A 9 75.209 -18.010 -43.161 1.00 0.00 H new ATOM 0 HG2 GLU A 9 76.478 -16.280 -44.526 1.00 0.00 H new ATOM 0 HG3 GLU A 9 76.573 -17.435 -45.841 1.00 0.00 H new ATOM 141 N ASN A 10 76.416 -20.833 -43.005 1.00 0.00 N ATOM 142 CA ASN A 10 76.192 -22.035 -42.209 1.00 0.00 C ATOM 143 C ASN A 10 75.552 -21.674 -40.873 1.00 0.00 C ATOM 144 O ASN A 10 74.456 -22.134 -40.553 1.00 0.00 O ATOM 145 CB ASN A 10 77.520 -22.754 -41.962 1.00 0.00 C ATOM 146 CG ASN A 10 78.001 -23.414 -43.250 1.00 0.00 C ATOM 147 OD1 ASN A 10 77.254 -23.495 -44.224 1.00 0.00 O ATOM 148 ND2 ASN A 10 79.213 -23.893 -43.312 1.00 0.00 N ATOM 0 H ASN A 10 75.928 -20.818 -43.900 1.00 0.00 H new ATOM 0 HA ASN A 10 75.520 -22.695 -42.758 1.00 0.00 H new ATOM 0 HB2 ASN A 10 78.267 -22.044 -41.606 1.00 0.00 H new ATOM 0 HB3 ASN A 10 77.397 -23.505 -41.182 1.00 0.00 H new ATOM 0 HD21 ASN A 10 79.543 -24.336 -44.169 1.00 0.00 H new ATOM 0 HD22 ASN A 10 79.830 -23.825 -42.503 1.00 0.00 H new ATOM 155 N TYR A 11 76.244 -20.844 -40.100 1.00 0.00 N ATOM 156 CA TYR A 11 75.683 -20.320 -38.860 1.00 0.00 C ATOM 157 C TYR A 11 75.652 -18.796 -38.893 1.00 0.00 C ATOM 158 O TYR A 11 76.687 -18.139 -38.780 1.00 0.00 O ATOM 159 CB TYR A 11 76.518 -20.792 -37.667 1.00 0.00 C ATOM 160 CG TYR A 11 77.970 -20.450 -37.901 1.00 0.00 C ATOM 161 CD1 TYR A 11 78.460 -19.191 -37.534 1.00 0.00 C ATOM 162 CD2 TYR A 11 78.825 -21.393 -38.483 1.00 0.00 C ATOM 163 CE1 TYR A 11 79.807 -18.875 -37.749 1.00 0.00 C ATOM 164 CE2 TYR A 11 80.172 -21.076 -38.698 1.00 0.00 C ATOM 165 CZ TYR A 11 80.662 -19.818 -38.331 1.00 0.00 C ATOM 166 OH TYR A 11 81.990 -19.506 -38.543 1.00 0.00 O ATOM 0 H TYR A 11 77.189 -20.521 -40.308 1.00 0.00 H new ATOM 0 HA TYR A 11 74.664 -20.692 -38.756 1.00 0.00 H new ATOM 0 HB2 TYR A 11 76.165 -20.317 -36.752 1.00 0.00 H new ATOM 0 HB3 TYR A 11 76.404 -21.868 -37.533 1.00 0.00 H new ATOM 0 HD1 TYR A 11 77.799 -18.464 -37.085 1.00 0.00 H new ATOM 0 HD2 TYR A 11 78.446 -22.364 -38.766 1.00 0.00 H new ATOM 0 HE1 TYR A 11 80.186 -17.904 -37.466 1.00 0.00 H new ATOM 0 HE2 TYR A 11 80.833 -21.803 -39.147 1.00 0.00 H new ATOM 0 HH TYR A 11 82.324 -20.005 -39.317 1.00 0.00 H new ATOM 176 N PRO A 12 74.486 -18.231 -39.050 1.00 0.00 N ATOM 177 CA PRO A 12 74.306 -16.760 -39.167 1.00 0.00 C ATOM 178 C PRO A 12 75.098 -15.992 -38.112 1.00 0.00 C ATOM 179 O PRO A 12 75.838 -16.581 -37.325 1.00 0.00 O ATOM 180 CB PRO A 12 72.763 -16.546 -39.006 1.00 0.00 C ATOM 181 CG PRO A 12 72.182 -17.845 -39.465 1.00 0.00 C ATOM 182 CD PRO A 12 73.201 -18.942 -39.134 1.00 0.00 C ATOM 0 HA PRO A 12 74.682 -16.379 -40.117 1.00 0.00 H new ATOM 0 HB2 PRO A 12 72.493 -16.328 -37.973 1.00 0.00 H new ATOM 0 HB3 PRO A 12 72.408 -15.711 -39.611 1.00 0.00 H new ATOM 0 HG2 PRO A 12 71.233 -18.039 -38.966 1.00 0.00 H new ATOM 0 HG3 PRO A 12 71.980 -17.819 -40.536 1.00 0.00 H new ATOM 0 HD2 PRO A 12 72.959 -19.439 -38.195 1.00 0.00 H new ATOM 0 HD3 PRO A 12 73.222 -19.712 -39.906 1.00 0.00 H new ATOM 190 N VAL A 13 74.935 -14.672 -38.104 1.00 0.00 N ATOM 191 CA VAL A 13 75.679 -13.825 -37.181 1.00 0.00 C ATOM 192 C VAL A 13 75.611 -14.386 -35.765 1.00 0.00 C ATOM 193 O VAL A 13 76.331 -13.938 -34.873 1.00 0.00 O ATOM 194 CB VAL A 13 75.107 -12.407 -37.199 1.00 0.00 C ATOM 195 CG1 VAL A 13 74.598 -12.080 -38.604 1.00 0.00 C ATOM 196 CG2 VAL A 13 73.947 -12.313 -36.205 1.00 0.00 C ATOM 0 H VAL A 13 74.298 -14.170 -38.723 1.00 0.00 H new ATOM 0 HA VAL A 13 76.721 -13.800 -37.499 1.00 0.00 H new ATOM 0 HB VAL A 13 75.886 -11.698 -36.919 1.00 0.00 H new ATOM 0 HG11 VAL A 13 74.190 -11.069 -38.617 1.00 0.00 H new ATOM 0 HG12 VAL A 13 75.422 -12.148 -39.314 1.00 0.00 H new ATOM 0 HG13 VAL A 13 73.819 -12.789 -38.883 1.00 0.00 H new ATOM 0 HG21 VAL A 13 73.539 -11.303 -36.217 1.00 0.00 H new ATOM 0 HG22 VAL A 13 73.169 -13.022 -36.486 1.00 0.00 H new ATOM 0 HG23 VAL A 13 74.307 -12.547 -35.203 1.00 0.00 H new ATOM 206 N SER A 14 74.740 -15.370 -35.566 1.00 0.00 N ATOM 207 CA SER A 14 74.556 -15.960 -34.245 1.00 0.00 C ATOM 208 C SER A 14 75.903 -16.152 -33.554 1.00 0.00 C ATOM 209 O SER A 14 76.081 -15.762 -32.400 1.00 0.00 O ATOM 210 CB SER A 14 73.846 -17.308 -34.368 1.00 0.00 C ATOM 211 OG SER A 14 72.628 -17.132 -35.080 1.00 0.00 O ATOM 0 H SER A 14 74.154 -15.773 -36.297 1.00 0.00 H new ATOM 0 HA SER A 14 73.946 -15.284 -33.647 1.00 0.00 H new ATOM 0 HB2 SER A 14 74.485 -18.023 -34.887 1.00 0.00 H new ATOM 0 HB3 SER A 14 73.646 -17.719 -33.378 1.00 0.00 H new ATOM 0 HG SER A 14 72.170 -17.994 -35.163 1.00 0.00 H new ATOM 217 N LYS A 15 76.847 -16.756 -34.268 1.00 0.00 N ATOM 218 CA LYS A 15 78.172 -17.002 -33.710 1.00 0.00 C ATOM 219 C LYS A 15 79.029 -15.744 -33.797 1.00 0.00 C ATOM 220 O LYS A 15 79.778 -15.425 -32.873 1.00 0.00 O ATOM 221 CB LYS A 15 78.857 -18.140 -34.470 1.00 0.00 C ATOM 222 CG LYS A 15 77.918 -19.346 -34.537 1.00 0.00 C ATOM 223 CD LYS A 15 77.667 -19.878 -33.125 1.00 0.00 C ATOM 224 CE LYS A 15 77.147 -21.314 -33.204 1.00 0.00 C ATOM 225 NZ LYS A 15 76.891 -21.827 -31.828 1.00 0.00 N ATOM 0 H LYS A 15 76.721 -17.082 -35.226 1.00 0.00 H new ATOM 0 HA LYS A 15 78.059 -17.282 -32.663 1.00 0.00 H new ATOM 0 HB2 LYS A 15 79.119 -17.813 -35.476 1.00 0.00 H new ATOM 0 HB3 LYS A 15 79.786 -18.416 -33.972 1.00 0.00 H new ATOM 0 HG2 LYS A 15 76.975 -19.060 -35.002 1.00 0.00 H new ATOM 0 HG3 LYS A 15 78.356 -20.127 -35.159 1.00 0.00 H new ATOM 0 HD2 LYS A 15 78.589 -19.845 -32.544 1.00 0.00 H new ATOM 0 HD3 LYS A 15 76.943 -19.246 -32.610 1.00 0.00 H new ATOM 0 HE2 LYS A 15 76.230 -21.348 -33.793 1.00 0.00 H new ATOM 0 HE3 LYS A 15 77.875 -21.948 -33.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 76.537 -22.804 -31.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 77.775 -21.809 -31.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 76.182 -21.227 -31.360 1.00 0.00 H new ATOM 239 N CYS A 16 78.914 -15.031 -34.913 1.00 0.00 N ATOM 240 CA CYS A 16 79.724 -13.840 -35.136 1.00 0.00 C ATOM 241 C CYS A 16 79.623 -12.892 -33.945 1.00 0.00 C ATOM 242 O CYS A 16 80.339 -11.893 -33.872 1.00 0.00 O ATOM 243 CB CYS A 16 79.260 -13.122 -36.404 1.00 0.00 C ATOM 244 SG CYS A 16 80.303 -11.669 -36.691 1.00 0.00 S ATOM 0 H CYS A 16 78.272 -15.256 -35.673 1.00 0.00 H new ATOM 0 HA CYS A 16 80.763 -14.147 -35.253 1.00 0.00 H new ATOM 0 HB2 CYS A 16 79.315 -13.797 -37.258 1.00 0.00 H new ATOM 0 HB3 CYS A 16 78.217 -12.820 -36.303 1.00 0.00 H new ATOM 249 N GLN A 17 78.729 -13.211 -33.014 1.00 0.00 N ATOM 250 CA GLN A 17 78.547 -12.382 -31.829 1.00 0.00 C ATOM 251 C GLN A 17 79.848 -12.290 -31.038 1.00 0.00 C ATOM 252 O GLN A 17 80.031 -11.380 -30.228 1.00 0.00 O ATOM 253 CB GLN A 17 77.448 -12.971 -30.943 1.00 0.00 C ATOM 254 CG GLN A 17 76.094 -12.819 -31.638 1.00 0.00 C ATOM 255 CD GLN A 17 75.056 -13.704 -30.958 1.00 0.00 C ATOM 256 OE1 GLN A 17 75.235 -14.099 -29.806 1.00 0.00 O ATOM 257 NE2 GLN A 17 73.976 -14.043 -31.607 1.00 0.00 N ATOM 0 H GLN A 17 78.124 -14.031 -33.057 1.00 0.00 H new ATOM 0 HA GLN A 17 78.257 -11.381 -32.148 1.00 0.00 H new ATOM 0 HB2 GLN A 17 77.651 -14.024 -30.745 1.00 0.00 H new ATOM 0 HB3 GLN A 17 77.433 -12.463 -29.979 1.00 0.00 H new ATOM 0 HG2 GLN A 17 75.774 -11.778 -31.605 1.00 0.00 H new ATOM 0 HG3 GLN A 17 76.183 -13.091 -32.690 1.00 0.00 H new ATOM 0 HE21 GLN A 17 73.830 -13.714 -32.561 1.00 0.00 H new ATOM 0 HE22 GLN A 17 73.277 -14.637 -31.160 1.00 0.00 H new ATOM 266 N LEU A 18 80.748 -13.237 -31.278 1.00 0.00 N ATOM 267 CA LEU A 18 82.048 -13.228 -30.616 1.00 0.00 C ATOM 268 C LEU A 18 83.170 -13.347 -31.642 1.00 0.00 C ATOM 269 O LEU A 18 83.349 -14.395 -32.264 1.00 0.00 O ATOM 270 CB LEU A 18 82.138 -14.390 -29.625 1.00 0.00 C ATOM 271 CG LEU A 18 81.149 -14.163 -28.481 1.00 0.00 C ATOM 272 CD1 LEU A 18 80.676 -15.514 -27.940 1.00 0.00 C ATOM 273 CD2 LEU A 18 81.839 -13.382 -27.361 1.00 0.00 C ATOM 0 H LEU A 18 80.604 -14.015 -31.921 1.00 0.00 H new ATOM 0 HA LEU A 18 82.156 -12.285 -30.081 1.00 0.00 H new ATOM 0 HB2 LEU A 18 81.917 -15.330 -30.130 1.00 0.00 H new ATOM 0 HB3 LEU A 18 83.152 -14.470 -29.233 1.00 0.00 H new ATOM 0 HG LEU A 18 80.292 -13.597 -28.848 1.00 0.00 H new ATOM 0 HD11 LEU A 18 79.971 -15.353 -27.124 1.00 0.00 H new ATOM 0 HD12 LEU A 18 80.187 -16.074 -28.737 1.00 0.00 H new ATOM 0 HD13 LEU A 18 81.533 -16.079 -27.573 1.00 0.00 H new ATOM 0 HD21 LEU A 18 81.136 -13.219 -26.544 1.00 0.00 H new ATOM 0 HD22 LEU A 18 82.695 -13.950 -26.995 1.00 0.00 H new ATOM 0 HD23 LEU A 18 82.179 -12.420 -27.744 1.00 0.00 H new ATOM 285 N ALA A 19 83.926 -12.267 -31.815 1.00 0.00 N ATOM 286 CA ALA A 19 85.006 -12.253 -32.795 1.00 0.00 C ATOM 287 C ALA A 19 85.900 -13.477 -32.620 1.00 0.00 C ATOM 288 O ALA A 19 86.714 -13.791 -33.489 1.00 0.00 O ATOM 289 CB ALA A 19 85.841 -10.981 -32.634 1.00 0.00 C ATOM 0 H ALA A 19 83.812 -11.397 -31.294 1.00 0.00 H new ATOM 0 HA ALA A 19 84.568 -12.275 -33.793 1.00 0.00 H new ATOM 0 HB1 ALA A 19 86.645 -10.978 -33.370 1.00 0.00 H new ATOM 0 HB2 ALA A 19 85.207 -10.108 -32.787 1.00 0.00 H new ATOM 0 HB3 ALA A 19 86.266 -10.950 -31.631 1.00 0.00 H new ATOM 295 N ASN A 20 85.743 -14.162 -31.492 1.00 0.00 N ATOM 296 CA ASN A 20 86.551 -15.343 -31.209 1.00 0.00 C ATOM 297 C ASN A 20 85.906 -16.589 -31.807 1.00 0.00 C ATOM 298 O ASN A 20 86.558 -17.622 -31.964 1.00 0.00 O ATOM 299 CB ASN A 20 86.703 -15.521 -29.697 1.00 0.00 C ATOM 300 CG ASN A 20 87.183 -14.219 -29.063 1.00 0.00 C ATOM 301 OD1 ASN A 20 88.045 -13.538 -29.620 1.00 0.00 O ATOM 302 ND2 ASN A 20 86.673 -13.830 -27.927 1.00 0.00 N ATOM 0 H ASN A 20 85.070 -13.923 -30.764 1.00 0.00 H new ATOM 0 HA ASN A 20 87.534 -15.204 -31.659 1.00 0.00 H new ATOM 0 HB2 ASN A 20 85.750 -15.818 -29.260 1.00 0.00 H new ATOM 0 HB3 ASN A 20 87.413 -16.321 -29.486 1.00 0.00 H new ATOM 0 HD21 ASN A 20 86.988 -12.960 -27.498 1.00 0.00 H new ATOM 0 HD22 ASN A 20 85.959 -14.396 -27.468 1.00 0.00 H new ATOM 309 N GLN A 21 84.623 -16.486 -32.139 1.00 0.00 N ATOM 310 CA GLN A 21 83.893 -17.622 -32.689 1.00 0.00 C ATOM 311 C GLN A 21 84.225 -17.808 -34.166 1.00 0.00 C ATOM 312 O GLN A 21 84.567 -18.908 -34.601 1.00 0.00 O ATOM 313 CB GLN A 21 82.388 -17.405 -32.526 1.00 0.00 C ATOM 314 CG GLN A 21 81.724 -18.721 -32.117 1.00 0.00 C ATOM 315 CD GLN A 21 81.974 -19.783 -33.181 1.00 0.00 C ATOM 316 OE1 GLN A 21 82.039 -19.470 -34.370 1.00 0.00 O ATOM 317 NE2 GLN A 21 82.120 -21.031 -32.824 1.00 0.00 N ATOM 0 H GLN A 21 84.071 -15.634 -32.038 1.00 0.00 H new ATOM 0 HA GLN A 21 84.191 -18.518 -32.145 1.00 0.00 H new ATOM 0 HB2 GLN A 21 82.200 -16.641 -31.772 1.00 0.00 H new ATOM 0 HB3 GLN A 21 81.959 -17.044 -33.460 1.00 0.00 H new ATOM 0 HG2 GLN A 21 82.120 -19.055 -31.158 1.00 0.00 H new ATOM 0 HG3 GLN A 21 80.652 -18.572 -31.985 1.00 0.00 H new ATOM 0 HE21 GLN A 21 82.066 -21.289 -31.839 1.00 0.00 H new ATOM 0 HE22 GLN A 21 82.288 -21.747 -33.531 1.00 0.00 H new ATOM 326 N CYS A 22 84.120 -16.727 -34.932 1.00 0.00 N ATOM 327 CA CYS A 22 84.388 -16.789 -36.364 1.00 0.00 C ATOM 328 C CYS A 22 85.702 -17.515 -36.632 1.00 0.00 C ATOM 329 O CYS A 22 85.722 -18.568 -37.270 1.00 0.00 O ATOM 330 CB CYS A 22 84.455 -15.375 -36.945 1.00 0.00 C ATOM 331 SG CYS A 22 82.786 -14.678 -37.033 1.00 0.00 S ATOM 0 H CYS A 22 83.853 -15.804 -34.589 1.00 0.00 H new ATOM 0 HA CYS A 22 83.578 -17.339 -36.843 1.00 0.00 H new ATOM 0 HB2 CYS A 22 85.091 -14.745 -36.324 1.00 0.00 H new ATOM 0 HB3 CYS A 22 84.903 -15.399 -37.938 1.00 0.00 H new ATOM 336 N ASN A 23 86.798 -16.944 -36.143 1.00 0.00 N ATOM 337 CA ASN A 23 88.113 -17.543 -36.343 1.00 0.00 C ATOM 338 C ASN A 23 88.074 -19.037 -36.042 1.00 0.00 C ATOM 339 O ASN A 23 88.521 -19.853 -36.848 1.00 0.00 O ATOM 340 CB ASN A 23 89.139 -16.864 -35.431 1.00 0.00 C ATOM 341 CG ASN A 23 88.737 -15.415 -35.183 1.00 0.00 C ATOM 342 OD1 ASN A 23 87.950 -14.849 -35.942 1.00 0.00 O ATOM 343 ND2 ASN A 23 89.233 -14.776 -34.159 1.00 0.00 N ATOM 0 H ASN A 23 86.803 -16.075 -35.610 1.00 0.00 H new ATOM 0 HA ASN A 23 88.401 -17.402 -37.385 1.00 0.00 H new ATOM 0 HB2 ASN A 23 89.206 -17.399 -34.484 1.00 0.00 H new ATOM 0 HB3 ASN A 23 90.127 -16.903 -35.889 1.00 0.00 H new ATOM 0 HD21 ASN A 23 88.969 -13.806 -33.986 1.00 0.00 H new ATOM 0 HD22 ASN A 23 89.885 -15.247 -33.531 1.00 0.00 H new ATOM 350 N TYR A 24 87.538 -19.388 -34.878 1.00 0.00 N ATOM 351 CA TYR A 24 87.436 -20.789 -34.486 1.00 0.00 C ATOM 352 C TYR A 24 86.764 -21.607 -35.584 1.00 0.00 C ATOM 353 O TYR A 24 87.359 -22.534 -36.134 1.00 0.00 O ATOM 354 CB TYR A 24 86.633 -20.912 -33.190 1.00 0.00 C ATOM 355 CG TYR A 24 87.572 -20.876 -32.009 1.00 0.00 C ATOM 356 CD1 TYR A 24 88.412 -19.772 -31.816 1.00 0.00 C ATOM 357 CD2 TYR A 24 87.605 -21.946 -31.107 1.00 0.00 C ATOM 358 CE1 TYR A 24 89.283 -19.739 -30.720 1.00 0.00 C ATOM 359 CE2 TYR A 24 88.478 -21.914 -30.013 1.00 0.00 C ATOM 360 CZ TYR A 24 89.317 -20.810 -29.819 1.00 0.00 C ATOM 361 OH TYR A 24 90.175 -20.777 -28.740 1.00 0.00 O ATOM 0 H TYR A 24 87.170 -18.727 -34.194 1.00 0.00 H new ATOM 0 HA TYR A 24 88.443 -21.176 -34.327 1.00 0.00 H new ATOM 0 HB2 TYR A 24 85.911 -20.098 -33.119 1.00 0.00 H new ATOM 0 HB3 TYR A 24 86.066 -21.843 -33.188 1.00 0.00 H new ATOM 0 HD1 TYR A 24 88.388 -18.947 -32.512 1.00 0.00 H new ATOM 0 HD2 TYR A 24 86.957 -22.797 -31.255 1.00 0.00 H new ATOM 0 HE1 TYR A 24 89.929 -18.887 -30.570 1.00 0.00 H new ATOM 0 HE2 TYR A 24 88.504 -22.741 -29.319 1.00 0.00 H new ATOM 0 HH TYR A 24 90.071 -21.598 -28.214 1.00 0.00 H new ATOM 371 N ASP A 25 85.520 -21.259 -35.898 1.00 0.00 N ATOM 372 CA ASP A 25 84.777 -21.968 -36.934 1.00 0.00 C ATOM 373 C ASP A 25 85.458 -21.809 -38.289 1.00 0.00 C ATOM 374 O ASP A 25 85.584 -22.770 -39.047 1.00 0.00 O ATOM 375 CB ASP A 25 83.347 -21.428 -37.012 1.00 0.00 C ATOM 376 CG ASP A 25 82.550 -21.882 -35.795 1.00 0.00 C ATOM 377 OD1 ASP A 25 83.071 -22.681 -35.034 1.00 0.00 O ATOM 378 OD2 ASP A 25 81.429 -21.426 -35.641 1.00 0.00 O ATOM 0 H ASP A 25 85.008 -20.496 -35.454 1.00 0.00 H new ATOM 0 HA ASP A 25 84.753 -23.027 -36.676 1.00 0.00 H new ATOM 0 HB2 ASP A 25 83.363 -20.339 -37.061 1.00 0.00 H new ATOM 0 HB3 ASP A 25 82.866 -21.781 -37.924 1.00 0.00 H new ATOM 383 N CYS A 26 85.895 -20.590 -38.587 1.00 0.00 N ATOM 384 CA CYS A 26 86.559 -20.317 -39.856 1.00 0.00 C ATOM 385 C CYS A 26 87.818 -21.164 -39.998 1.00 0.00 C ATOM 386 O CYS A 26 88.149 -21.627 -41.090 1.00 0.00 O ATOM 387 CB CYS A 26 86.926 -18.834 -39.945 1.00 0.00 C ATOM 388 SG CYS A 26 86.186 -18.117 -41.432 1.00 0.00 S ATOM 0 H CYS A 26 85.802 -19.781 -37.972 1.00 0.00 H new ATOM 0 HA CYS A 26 85.873 -20.571 -40.664 1.00 0.00 H new ATOM 0 HB2 CYS A 26 86.571 -18.307 -39.059 1.00 0.00 H new ATOM 0 HB3 CYS A 26 88.009 -18.718 -39.973 1.00 0.00 H new ATOM 393 N LYS A 27 88.519 -21.365 -38.886 1.00 0.00 N ATOM 394 CA LYS A 27 89.745 -22.155 -38.901 1.00 0.00 C ATOM 395 C LYS A 27 89.422 -23.645 -38.895 1.00 0.00 C ATOM 396 O LYS A 27 90.119 -24.443 -39.523 1.00 0.00 O ATOM 397 CB LYS A 27 90.603 -21.811 -37.681 1.00 0.00 C ATOM 398 CG LYS A 27 91.103 -20.370 -37.797 1.00 0.00 C ATOM 399 CD LYS A 27 91.409 -19.820 -36.403 1.00 0.00 C ATOM 400 CE LYS A 27 92.534 -20.638 -35.766 1.00 0.00 C ATOM 401 NZ LYS A 27 91.983 -21.923 -35.251 1.00 0.00 N ATOM 0 H LYS A 27 88.262 -20.995 -37.971 1.00 0.00 H new ATOM 0 HA LYS A 27 90.297 -21.918 -39.811 1.00 0.00 H new ATOM 0 HB2 LYS A 27 90.020 -21.932 -36.768 1.00 0.00 H new ATOM 0 HB3 LYS A 27 91.448 -22.496 -37.613 1.00 0.00 H new ATOM 0 HG2 LYS A 27 91.998 -20.334 -38.418 1.00 0.00 H new ATOM 0 HG3 LYS A 27 90.350 -19.751 -38.286 1.00 0.00 H new ATOM 0 HD2 LYS A 27 91.701 -18.772 -36.470 1.00 0.00 H new ATOM 0 HD3 LYS A 27 90.516 -19.863 -35.780 1.00 0.00 H new ATOM 0 HE2 LYS A 27 93.316 -20.833 -36.499 1.00 0.00 H new ATOM 0 HE3 LYS A 27 92.992 -20.075 -34.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 92.384 -22.121 -34.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 90.948 -21.852 -35.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 92.232 -22.694 -35.903 1.00 0.00 H new ATOM 415 N LEU A 28 88.363 -24.014 -38.182 1.00 0.00 N ATOM 416 CA LEU A 28 87.970 -25.414 -38.083 1.00 0.00 C ATOM 417 C LEU A 28 87.136 -25.823 -39.293 1.00 0.00 C ATOM 418 O LEU A 28 87.070 -27.000 -39.645 1.00 0.00 O ATOM 419 CB LEU A 28 87.165 -25.640 -36.803 1.00 0.00 C ATOM 420 CG LEU A 28 88.014 -25.255 -35.591 1.00 0.00 C ATOM 421 CD1 LEU A 28 87.100 -24.931 -34.407 1.00 0.00 C ATOM 422 CD2 LEU A 28 88.932 -26.422 -35.221 1.00 0.00 C ATOM 0 H LEU A 28 87.765 -23.367 -37.667 1.00 0.00 H new ATOM 0 HA LEU A 28 88.872 -26.025 -38.056 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.252 -25.044 -36.825 1.00 0.00 H new ATOM 0 HB3 LEU A 28 86.862 -26.685 -36.731 1.00 0.00 H new ATOM 0 HG LEU A 28 88.616 -24.380 -35.834 1.00 0.00 H new ATOM 0 HD11 LEU A 28 87.706 -24.657 -33.544 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.445 -24.100 -34.669 1.00 0.00 H new ATOM 0 HD13 LEU A 28 86.496 -25.805 -34.163 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.538 -26.149 -34.357 1.00 0.00 H new ATOM 0 HD22 LEU A 28 88.329 -27.297 -34.979 1.00 0.00 H new ATOM 0 HD23 LEU A 28 89.584 -26.653 -36.063 1.00 0.00 H new ATOM 434 N ASP A 29 86.499 -24.842 -39.926 1.00 0.00 N ATOM 435 CA ASP A 29 85.618 -25.118 -41.054 1.00 0.00 C ATOM 436 C ASP A 29 86.390 -25.038 -42.367 1.00 0.00 C ATOM 437 O ASP A 29 86.502 -26.025 -43.093 1.00 0.00 O ATOM 438 CB ASP A 29 84.465 -24.112 -41.076 1.00 0.00 C ATOM 439 CG ASP A 29 83.618 -24.263 -39.816 1.00 0.00 C ATOM 440 OD1 ASP A 29 83.848 -25.210 -39.081 1.00 0.00 O ATOM 441 OD2 ASP A 29 82.752 -23.429 -39.605 1.00 0.00 O ATOM 0 H ASP A 29 86.576 -23.855 -39.678 1.00 0.00 H new ATOM 0 HA ASP A 29 85.218 -26.126 -40.940 1.00 0.00 H new ATOM 0 HB2 ASP A 29 84.858 -23.097 -41.141 1.00 0.00 H new ATOM 0 HB3 ASP A 29 83.848 -24.272 -41.960 1.00 0.00 H new ATOM 446 N LYS A 30 86.920 -23.856 -42.664 1.00 0.00 N ATOM 447 CA LYS A 30 87.606 -23.635 -43.932 1.00 0.00 C ATOM 448 C LYS A 30 89.102 -23.443 -43.704 1.00 0.00 C ATOM 449 O LYS A 30 89.870 -23.284 -44.653 1.00 0.00 O ATOM 450 CB LYS A 30 87.031 -22.400 -44.629 1.00 0.00 C ATOM 451 CG LYS A 30 85.511 -22.377 -44.455 1.00 0.00 C ATOM 452 CD LYS A 30 84.899 -23.606 -45.130 1.00 0.00 C ATOM 453 CE LYS A 30 83.378 -23.456 -45.183 1.00 0.00 C ATOM 454 NZ LYS A 30 83.010 -22.484 -46.250 1.00 0.00 N ATOM 0 H LYS A 30 86.888 -23.042 -42.050 1.00 0.00 H new ATOM 0 HA LYS A 30 87.455 -24.511 -44.563 1.00 0.00 H new ATOM 0 HB2 LYS A 30 87.470 -21.495 -44.209 1.00 0.00 H new ATOM 0 HB3 LYS A 30 87.286 -22.415 -45.689 1.00 0.00 H new ATOM 0 HG2 LYS A 30 85.256 -22.367 -43.395 1.00 0.00 H new ATOM 0 HG3 LYS A 30 85.099 -21.467 -44.891 1.00 0.00 H new ATOM 0 HD2 LYS A 30 85.299 -23.717 -46.138 1.00 0.00 H new ATOM 0 HD3 LYS A 30 85.167 -24.508 -44.579 1.00 0.00 H new ATOM 0 HE2 LYS A 30 82.914 -24.422 -45.381 1.00 0.00 H new ATOM 0 HE3 LYS A 30 83.002 -23.113 -44.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 81.978 -22.483 -46.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 83.326 -21.532 -45.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 83.469 -22.758 -47.142 1.00 0.00 H new ATOM 468 N HIS A 31 89.509 -23.462 -42.439 1.00 0.00 N ATOM 469 CA HIS A 31 90.918 -23.299 -42.096 1.00 0.00 C ATOM 470 C HIS A 31 91.400 -21.898 -42.458 1.00 0.00 C ATOM 471 O HIS A 31 92.326 -21.736 -43.251 1.00 0.00 O ATOM 472 CB HIS A 31 91.761 -24.337 -42.839 1.00 0.00 C ATOM 473 CG HIS A 31 91.049 -25.662 -42.829 1.00 0.00 C ATOM 474 ND1 HIS A 31 91.223 -26.587 -41.812 1.00 0.00 N ATOM 475 CD2 HIS A 31 90.159 -26.232 -43.705 1.00 0.00 C ATOM 476 CE1 HIS A 31 90.455 -27.655 -42.098 1.00 0.00 C ATOM 477 NE2 HIS A 31 89.785 -27.490 -43.241 1.00 0.00 N ATOM 0 H HIS A 31 88.889 -23.588 -41.639 1.00 0.00 H new ATOM 0 HA HIS A 31 91.028 -23.443 -41.021 1.00 0.00 H new ATOM 0 HB2 HIS A 31 91.934 -24.013 -43.865 1.00 0.00 H new ATOM 0 HB3 HIS A 31 92.738 -24.434 -42.366 1.00 0.00 H new ATOM 0 HD2 HIS A 31 89.803 -25.774 -44.616 1.00 0.00 H new ATOM 0 HE1 HIS A 31 90.389 -28.537 -41.479 1.00 0.00 H new ATOM 0 HE2 HIS A 31 89.138 -28.145 -43.680 1.00 0.00 H new ATOM 485 N ALA A 32 90.767 -20.889 -41.869 1.00 0.00 N ATOM 486 CA ALA A 32 91.144 -19.505 -42.134 1.00 0.00 C ATOM 487 C ALA A 32 92.268 -19.068 -41.201 1.00 0.00 C ATOM 488 O ALA A 32 92.929 -19.898 -40.577 1.00 0.00 O ATOM 489 CB ALA A 32 89.935 -18.588 -41.945 1.00 0.00 C ATOM 0 H ALA A 32 89.997 -21.002 -41.210 1.00 0.00 H new ATOM 0 HA ALA A 32 91.494 -19.435 -43.164 1.00 0.00 H new ATOM 0 HB1 ALA A 32 90.226 -17.557 -42.145 1.00 0.00 H new ATOM 0 HB2 ALA A 32 89.144 -18.882 -42.635 1.00 0.00 H new ATOM 0 HB3 ALA A 32 89.572 -18.671 -40.920 1.00 0.00 H new ATOM 495 N ARG A 33 92.477 -17.758 -41.109 1.00 0.00 N ATOM 496 CA ARG A 33 93.529 -17.222 -40.253 1.00 0.00 C ATOM 497 C ARG A 33 92.928 -16.391 -39.124 1.00 0.00 C ATOM 498 O ARG A 33 93.244 -16.600 -37.951 1.00 0.00 O ATOM 499 CB ARG A 33 94.479 -16.352 -41.078 1.00 0.00 C ATOM 500 CG ARG A 33 95.175 -17.213 -42.134 1.00 0.00 C ATOM 501 CD ARG A 33 96.188 -16.363 -42.901 1.00 0.00 C ATOM 502 NE ARG A 33 97.287 -15.976 -42.024 1.00 0.00 N ATOM 503 CZ ARG A 33 98.178 -16.866 -41.603 1.00 0.00 C ATOM 504 NH1 ARG A 33 98.077 -18.114 -41.971 1.00 0.00 N ATOM 505 NH2 ARG A 33 99.154 -16.495 -40.821 1.00 0.00 N ATOM 0 H ARG A 33 91.937 -17.054 -41.612 1.00 0.00 H new ATOM 0 HA ARG A 33 94.082 -18.056 -39.821 1.00 0.00 H new ATOM 0 HB2 ARG A 33 93.925 -15.546 -41.559 1.00 0.00 H new ATOM 0 HB3 ARG A 33 95.220 -15.886 -40.428 1.00 0.00 H new ATOM 0 HG2 ARG A 33 95.678 -18.055 -41.658 1.00 0.00 H new ATOM 0 HG3 ARG A 33 94.439 -17.629 -42.822 1.00 0.00 H new ATOM 0 HD2 ARG A 33 96.573 -16.923 -43.753 1.00 0.00 H new ATOM 0 HD3 ARG A 33 95.700 -15.473 -43.299 1.00 0.00 H new ATOM 0 HE ARG A 33 97.373 -15.004 -41.728 1.00 0.00 H new ATOM 0 HH11 ARG A 33 97.314 -18.405 -42.582 1.00 0.00 H new ATOM 0 HH12 ARG A 33 98.761 -18.798 -41.648 1.00 0.00 H new ATOM 0 HH21 ARG A 33 99.234 -15.520 -40.532 1.00 0.00 H new ATOM 0 HH22 ARG A 33 99.838 -17.180 -40.498 1.00 0.00 H new ATOM 519 N SER A 34 92.061 -15.450 -39.483 1.00 0.00 N ATOM 520 CA SER A 34 91.461 -14.562 -38.495 1.00 0.00 C ATOM 521 C SER A 34 89.939 -14.635 -38.562 1.00 0.00 C ATOM 522 O SER A 34 89.243 -14.074 -37.717 1.00 0.00 O ATOM 523 CB SER A 34 91.915 -13.123 -38.741 1.00 0.00 C ATOM 524 OG SER A 34 91.285 -12.265 -37.800 1.00 0.00 O ATOM 0 H SER A 34 91.760 -15.283 -40.443 1.00 0.00 H new ATOM 0 HA SER A 34 91.786 -14.881 -37.505 1.00 0.00 H new ATOM 0 HB2 SER A 34 92.999 -13.050 -38.648 1.00 0.00 H new ATOM 0 HB3 SER A 34 91.661 -12.818 -39.756 1.00 0.00 H new ATOM 0 HG SER A 34 90.502 -12.715 -37.419 1.00 0.00 H new ATOM 530 N GLY A 35 89.428 -15.328 -39.575 1.00 0.00 N ATOM 531 CA GLY A 35 87.987 -15.459 -39.747 1.00 0.00 C ATOM 532 C GLY A 35 87.272 -14.177 -39.336 1.00 0.00 C ATOM 533 O GLY A 35 86.544 -14.152 -38.343 1.00 0.00 O ATOM 0 H GLY A 35 89.986 -15.804 -40.284 1.00 0.00 H new ATOM 0 HA2 GLY A 35 87.760 -15.689 -40.788 1.00 0.00 H new ATOM 0 HA3 GLY A 35 87.620 -16.293 -39.149 1.00 0.00 H new ATOM 537 N GLU A 36 87.485 -13.113 -40.104 1.00 0.00 N ATOM 538 CA GLU A 36 86.892 -11.820 -39.781 1.00 0.00 C ATOM 539 C GLU A 36 85.465 -11.737 -40.313 1.00 0.00 C ATOM 540 O GLU A 36 85.152 -12.287 -41.370 1.00 0.00 O ATOM 541 CB GLU A 36 87.731 -10.694 -40.389 1.00 0.00 C ATOM 542 CG GLU A 36 88.883 -10.348 -39.443 1.00 0.00 C ATOM 543 CD GLU A 36 88.346 -9.646 -38.200 1.00 0.00 C ATOM 544 OE1 GLU A 36 87.217 -9.186 -38.246 1.00 0.00 O ATOM 545 OE2 GLU A 36 89.071 -9.579 -37.222 1.00 0.00 O ATOM 0 H GLU A 36 88.059 -13.120 -40.947 1.00 0.00 H new ATOM 0 HA GLU A 36 86.870 -11.712 -38.697 1.00 0.00 H new ATOM 0 HB2 GLU A 36 88.122 -11.001 -41.359 1.00 0.00 H new ATOM 0 HB3 GLU A 36 87.110 -9.815 -40.560 1.00 0.00 H new ATOM 0 HG2 GLU A 36 89.414 -11.256 -39.157 1.00 0.00 H new ATOM 0 HG3 GLU A 36 89.601 -9.705 -39.952 1.00 0.00 H new ATOM 552 N CYS A 37 84.603 -11.047 -39.574 1.00 0.00 N ATOM 553 CA CYS A 37 83.212 -10.892 -39.982 1.00 0.00 C ATOM 554 C CYS A 37 83.046 -9.664 -40.870 1.00 0.00 C ATOM 555 O CYS A 37 83.852 -8.734 -40.816 1.00 0.00 O ATOM 556 CB CYS A 37 82.258 -10.682 -38.775 1.00 0.00 C ATOM 557 SG CYS A 37 81.545 -12.236 -38.180 1.00 0.00 S ATOM 0 H CYS A 37 84.841 -10.589 -38.694 1.00 0.00 H new ATOM 0 HA CYS A 37 82.957 -11.813 -40.506 1.00 0.00 H new ATOM 0 HB2 CYS A 37 82.804 -10.202 -37.963 1.00 0.00 H new ATOM 0 HB3 CYS A 37 81.455 -10.004 -39.064 1.00 0.00 H new ATOM 562 N PHE A 38 81.997 -9.666 -41.686 1.00 0.00 N ATOM 563 CA PHE A 38 81.717 -8.531 -42.559 1.00 0.00 C ATOM 564 C PHE A 38 80.213 -8.366 -42.755 1.00 0.00 C ATOM 565 O PHE A 38 79.429 -9.238 -42.382 1.00 0.00 O ATOM 566 CB PHE A 38 82.392 -8.737 -43.916 1.00 0.00 C ATOM 567 CG PHE A 38 83.891 -8.675 -43.749 1.00 0.00 C ATOM 568 CD1 PHE A 38 84.589 -9.794 -43.279 1.00 0.00 C ATOM 569 CD2 PHE A 38 84.582 -7.499 -44.062 1.00 0.00 C ATOM 570 CE1 PHE A 38 85.979 -9.736 -43.123 1.00 0.00 C ATOM 571 CE2 PHE A 38 85.972 -7.441 -43.907 1.00 0.00 C ATOM 572 CZ PHE A 38 86.671 -8.560 -43.437 1.00 0.00 C ATOM 0 H PHE A 38 81.331 -10.435 -41.761 1.00 0.00 H new ATOM 0 HA PHE A 38 82.112 -7.629 -42.091 1.00 0.00 H new ATOM 0 HB2 PHE A 38 82.102 -9.700 -44.336 1.00 0.00 H new ATOM 0 HB3 PHE A 38 82.062 -7.971 -44.618 1.00 0.00 H new ATOM 0 HD1 PHE A 38 84.055 -10.701 -43.037 1.00 0.00 H new ATOM 0 HD2 PHE A 38 84.043 -6.636 -44.423 1.00 0.00 H new ATOM 0 HE1 PHE A 38 86.518 -10.599 -42.760 1.00 0.00 H new ATOM 0 HE2 PHE A 38 86.505 -6.534 -44.150 1.00 0.00 H new ATOM 0 HZ PHE A 38 87.743 -8.516 -43.317 1.00 0.00 H new ATOM 582 N TYR A 39 79.819 -7.242 -43.344 1.00 0.00 N ATOM 583 CA TYR A 39 78.405 -6.973 -43.585 1.00 0.00 C ATOM 584 C TYR A 39 78.040 -7.288 -45.032 1.00 0.00 C ATOM 585 O TYR A 39 78.679 -6.800 -45.964 1.00 0.00 O ATOM 586 CB TYR A 39 78.094 -5.506 -43.285 1.00 0.00 C ATOM 587 CG TYR A 39 78.015 -5.303 -41.791 1.00 0.00 C ATOM 588 CD1 TYR A 39 76.794 -5.467 -41.125 1.00 0.00 C ATOM 589 CD2 TYR A 39 79.163 -4.954 -41.070 1.00 0.00 C ATOM 590 CE1 TYR A 39 76.721 -5.279 -39.740 1.00 0.00 C ATOM 591 CE2 TYR A 39 79.091 -4.767 -39.685 1.00 0.00 C ATOM 592 CZ TYR A 39 77.870 -4.930 -39.020 1.00 0.00 C ATOM 593 OH TYR A 39 77.798 -4.745 -37.654 1.00 0.00 O ATOM 0 H TYR A 39 80.452 -6.508 -43.661 1.00 0.00 H new ATOM 0 HA TYR A 39 77.815 -7.610 -42.926 1.00 0.00 H new ATOM 0 HB2 TYR A 39 78.867 -4.865 -43.709 1.00 0.00 H new ATOM 0 HB3 TYR A 39 77.151 -5.220 -43.752 1.00 0.00 H new ATOM 0 HD1 TYR A 39 75.908 -5.739 -41.680 1.00 0.00 H new ATOM 0 HD2 TYR A 39 80.105 -4.829 -41.583 1.00 0.00 H new ATOM 0 HE1 TYR A 39 75.779 -5.403 -39.227 1.00 0.00 H new ATOM 0 HE2 TYR A 39 79.977 -4.497 -39.129 1.00 0.00 H new ATOM 0 HH TYR A 39 78.684 -4.508 -37.309 1.00 0.00 H new ATOM 603 N ASP A 40 77.010 -8.108 -45.212 1.00 0.00 N ATOM 604 CA ASP A 40 76.567 -8.481 -46.550 1.00 0.00 C ATOM 605 C ASP A 40 75.304 -7.715 -46.931 1.00 0.00 C ATOM 606 O ASP A 40 74.973 -6.700 -46.318 1.00 0.00 O ATOM 607 CB ASP A 40 76.291 -9.984 -46.608 1.00 0.00 C ATOM 608 CG ASP A 40 77.594 -10.760 -46.464 1.00 0.00 C ATOM 609 OD1 ASP A 40 78.632 -10.125 -46.363 1.00 0.00 O ATOM 610 OD2 ASP A 40 77.539 -11.979 -46.457 1.00 0.00 O ATOM 0 H ASP A 40 76.470 -8.524 -44.454 1.00 0.00 H new ATOM 0 HA ASP A 40 77.357 -8.229 -47.257 1.00 0.00 H new ATOM 0 HB2 ASP A 40 75.601 -10.266 -45.813 1.00 0.00 H new ATOM 0 HB3 ASP A 40 75.810 -10.237 -47.553 1.00 0.00 H new ATOM 615 N GLU A 41 74.604 -8.206 -47.948 1.00 0.00 N ATOM 616 CA GLU A 41 73.382 -7.556 -48.407 1.00 0.00 C ATOM 617 C GLU A 41 72.333 -7.542 -47.301 1.00 0.00 C ATOM 618 O GLU A 41 71.465 -6.670 -47.265 1.00 0.00 O ATOM 619 CB GLU A 41 72.827 -8.290 -49.630 1.00 0.00 C ATOM 620 CG GLU A 41 73.840 -8.213 -50.775 1.00 0.00 C ATOM 621 CD GLU A 41 73.991 -6.769 -51.242 1.00 0.00 C ATOM 622 OE1 GLU A 41 73.126 -5.970 -50.922 1.00 0.00 O ATOM 623 OE2 GLU A 41 74.969 -6.484 -51.912 1.00 0.00 O ATOM 0 H GLU A 41 74.859 -9.046 -48.467 1.00 0.00 H new ATOM 0 HA GLU A 41 73.621 -6.528 -48.678 1.00 0.00 H new ATOM 0 HB2 GLU A 41 72.623 -9.331 -49.381 1.00 0.00 H new ATOM 0 HB3 GLU A 41 71.881 -7.844 -49.937 1.00 0.00 H new ATOM 0 HG2 GLU A 41 74.804 -8.600 -50.445 1.00 0.00 H new ATOM 0 HG3 GLU A 41 73.512 -8.840 -51.604 1.00 0.00 H new ATOM 630 N LYS A 42 72.419 -8.515 -46.399 1.00 0.00 N ATOM 631 CA LYS A 42 71.470 -8.607 -45.296 1.00 0.00 C ATOM 632 C LYS A 42 72.033 -7.935 -44.047 1.00 0.00 C ATOM 633 O LYS A 42 71.568 -8.183 -42.935 1.00 0.00 O ATOM 634 CB LYS A 42 71.162 -10.074 -44.992 1.00 0.00 C ATOM 635 CG LYS A 42 70.604 -10.749 -46.246 1.00 0.00 C ATOM 636 CD LYS A 42 70.046 -12.126 -45.880 1.00 0.00 C ATOM 637 CE LYS A 42 71.150 -12.972 -45.243 1.00 0.00 C ATOM 638 NZ LYS A 42 72.436 -12.732 -45.959 1.00 0.00 N ATOM 0 H LYS A 42 73.131 -9.246 -46.410 1.00 0.00 H new ATOM 0 HA LYS A 42 70.553 -8.096 -45.588 1.00 0.00 H new ATOM 0 HB2 LYS A 42 72.066 -10.586 -44.663 1.00 0.00 H new ATOM 0 HB3 LYS A 42 70.441 -10.144 -44.177 1.00 0.00 H new ATOM 0 HG2 LYS A 42 69.820 -10.132 -46.685 1.00 0.00 H new ATOM 0 HG3 LYS A 42 71.388 -10.850 -46.997 1.00 0.00 H new ATOM 0 HD2 LYS A 42 69.210 -12.019 -45.188 1.00 0.00 H new ATOM 0 HD3 LYS A 42 69.661 -12.623 -46.771 1.00 0.00 H new ATOM 0 HE2 LYS A 42 71.256 -12.717 -44.188 1.00 0.00 H new ATOM 0 HE3 LYS A 42 70.887 -14.029 -45.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 73.070 -13.544 -45.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 72.251 -12.614 -46.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 72.885 -11.871 -45.587 1.00 0.00 H new ATOM 652 N ARG A 43 73.034 -7.083 -44.240 1.00 0.00 N ATOM 653 CA ARG A 43 73.664 -6.395 -43.121 1.00 0.00 C ATOM 654 C ARG A 43 73.955 -7.371 -41.986 1.00 0.00 C ATOM 655 O ARG A 43 74.075 -6.974 -40.827 1.00 0.00 O ATOM 656 CB ARG A 43 72.751 -5.277 -42.613 1.00 0.00 C ATOM 657 CG ARG A 43 72.976 -4.014 -43.446 1.00 0.00 C ATOM 658 CD ARG A 43 74.121 -3.200 -42.841 1.00 0.00 C ATOM 659 NE ARG A 43 74.629 -2.242 -43.816 1.00 0.00 N ATOM 660 CZ ARG A 43 75.810 -1.654 -43.649 1.00 0.00 C ATOM 661 NH1 ARG A 43 76.534 -1.930 -42.599 1.00 0.00 N ATOM 662 NH2 ARG A 43 76.243 -0.800 -44.535 1.00 0.00 N ATOM 0 H ARG A 43 73.424 -6.854 -45.154 1.00 0.00 H new ATOM 0 HA ARG A 43 74.605 -5.967 -43.467 1.00 0.00 H new ATOM 0 HB2 ARG A 43 71.708 -5.587 -42.678 1.00 0.00 H new ATOM 0 HB3 ARG A 43 72.958 -5.074 -41.562 1.00 0.00 H new ATOM 0 HG2 ARG A 43 73.211 -4.282 -44.476 1.00 0.00 H new ATOM 0 HG3 ARG A 43 72.065 -3.416 -43.472 1.00 0.00 H new ATOM 0 HD2 ARG A 43 73.773 -2.675 -41.952 1.00 0.00 H new ATOM 0 HD3 ARG A 43 74.923 -3.867 -42.524 1.00 0.00 H new ATOM 0 HE ARG A 43 74.070 -2.019 -44.639 1.00 0.00 H new ATOM 0 HH11 ARG A 43 76.194 -2.597 -41.906 1.00 0.00 H new ATOM 0 HH12 ARG A 43 77.440 -1.479 -42.471 1.00 0.00 H new ATOM 0 HH21 ARG A 43 75.676 -0.584 -45.355 1.00 0.00 H new ATOM 0 HH22 ARG A 43 77.149 -0.348 -44.408 1.00 0.00 H new ATOM 676 N ASN A 44 74.070 -8.650 -42.328 1.00 0.00 N ATOM 677 CA ASN A 44 74.351 -9.676 -41.330 1.00 0.00 C ATOM 678 C ASN A 44 75.853 -9.908 -41.209 1.00 0.00 C ATOM 679 O ASN A 44 76.588 -9.810 -42.192 1.00 0.00 O ATOM 680 CB ASN A 44 73.660 -10.986 -41.719 1.00 0.00 C ATOM 681 CG ASN A 44 72.221 -10.985 -41.213 1.00 0.00 C ATOM 682 OD1 ASN A 44 71.760 -9.992 -40.650 1.00 0.00 O ATOM 683 ND2 ASN A 44 71.480 -12.046 -41.381 1.00 0.00 N ATOM 0 H ASN A 44 73.974 -8.999 -43.281 1.00 0.00 H new ATOM 0 HA ASN A 44 73.969 -9.335 -40.368 1.00 0.00 H new ATOM 0 HB2 ASN A 44 73.674 -11.107 -42.802 1.00 0.00 H new ATOM 0 HB3 ASN A 44 74.202 -11.832 -41.297 1.00 0.00 H new ATOM 0 HD21 ASN A 44 70.517 -12.054 -41.046 1.00 0.00 H new ATOM 0 HD22 ASN A 44 71.864 -12.868 -41.848 1.00 0.00 H new ATOM 690 N LEU A 45 76.304 -10.216 -39.997 1.00 0.00 N ATOM 691 CA LEU A 45 77.718 -10.486 -39.764 1.00 0.00 C ATOM 692 C LEU A 45 78.058 -11.925 -40.139 1.00 0.00 C ATOM 693 O LEU A 45 77.621 -12.868 -39.481 1.00 0.00 O ATOM 694 CB LEU A 45 78.060 -10.246 -38.293 1.00 0.00 C ATOM 695 CG LEU A 45 77.141 -9.165 -37.724 1.00 0.00 C ATOM 696 CD1 LEU A 45 77.353 -9.055 -36.212 1.00 0.00 C ATOM 697 CD2 LEU A 45 77.468 -7.822 -38.382 1.00 0.00 C ATOM 0 H LEU A 45 75.716 -10.284 -39.167 1.00 0.00 H new ATOM 0 HA LEU A 45 78.305 -9.812 -40.388 1.00 0.00 H new ATOM 0 HB2 LEU A 45 77.945 -11.170 -37.727 1.00 0.00 H new ATOM 0 HB3 LEU A 45 79.102 -9.940 -38.196 1.00 0.00 H new ATOM 0 HG LEU A 45 76.103 -9.429 -37.926 1.00 0.00 H new ATOM 0 HD11 LEU A 45 76.697 -8.284 -35.808 1.00 0.00 H new ATOM 0 HD12 LEU A 45 77.122 -10.011 -35.742 1.00 0.00 H new ATOM 0 HD13 LEU A 45 78.391 -8.792 -36.008 1.00 0.00 H new ATOM 0 HD21 LEU A 45 76.814 -7.050 -37.978 1.00 0.00 H new ATOM 0 HD22 LEU A 45 78.507 -7.561 -38.179 1.00 0.00 H new ATOM 0 HD23 LEU A 45 77.317 -7.898 -39.459 1.00 0.00 H new ATOM 709 N GLN A 46 78.842 -12.083 -41.201 1.00 0.00 N ATOM 710 CA GLN A 46 79.213 -13.413 -41.672 1.00 0.00 C ATOM 711 C GLN A 46 80.712 -13.640 -41.507 1.00 0.00 C ATOM 712 O GLN A 46 81.527 -12.891 -42.045 1.00 0.00 O ATOM 713 CB GLN A 46 78.831 -13.571 -43.145 1.00 0.00 C ATOM 714 CG GLN A 46 77.382 -13.125 -43.349 1.00 0.00 C ATOM 715 CD GLN A 46 76.432 -14.145 -42.730 1.00 0.00 C ATOM 716 OE1 GLN A 46 76.874 -15.154 -42.182 1.00 0.00 O ATOM 717 NE2 GLN A 46 75.144 -13.942 -42.787 1.00 0.00 N ATOM 0 H GLN A 46 79.230 -11.314 -41.748 1.00 0.00 H new ATOM 0 HA GLN A 46 78.677 -14.152 -41.076 1.00 0.00 H new ATOM 0 HB2 GLN A 46 79.497 -12.976 -43.770 1.00 0.00 H new ATOM 0 HB3 GLN A 46 78.949 -14.610 -43.453 1.00 0.00 H new ATOM 0 HG2 GLN A 46 77.226 -12.147 -42.894 1.00 0.00 H new ATOM 0 HG3 GLN A 46 77.172 -13.018 -44.413 1.00 0.00 H new ATOM 0 HE21 GLN A 46 74.779 -13.105 -43.242 1.00 0.00 H new ATOM 0 HE22 GLN A 46 74.502 -14.620 -42.377 1.00 0.00 H new ATOM 726 N CYS A 47 81.070 -14.678 -40.757 1.00 0.00 N ATOM 727 CA CYS A 47 82.474 -15.015 -40.556 1.00 0.00 C ATOM 728 C CYS A 47 83.144 -15.337 -41.888 1.00 0.00 C ATOM 729 O CYS A 47 82.843 -16.352 -42.516 1.00 0.00 O ATOM 730 CB CYS A 47 82.647 -16.232 -39.625 1.00 0.00 C ATOM 731 SG CYS A 47 81.730 -16.048 -38.076 1.00 0.00 S ATOM 0 H CYS A 47 80.412 -15.296 -40.282 1.00 0.00 H new ATOM 0 HA CYS A 47 82.940 -14.144 -40.095 1.00 0.00 H new ATOM 0 HB2 CYS A 47 82.309 -17.131 -40.140 1.00 0.00 H new ATOM 0 HB3 CYS A 47 83.705 -16.370 -39.404 1.00 0.00 H new ATOM 736 N ILE A 48 84.053 -14.466 -42.314 1.00 0.00 N ATOM 737 CA ILE A 48 84.741 -14.655 -43.585 1.00 0.00 C ATOM 738 C ILE A 48 86.136 -15.231 -43.359 1.00 0.00 C ATOM 739 O ILE A 48 86.979 -14.607 -42.714 1.00 0.00 O ATOM 740 CB ILE A 48 84.853 -13.321 -44.323 1.00 0.00 C ATOM 741 CG1 ILE A 48 83.454 -12.832 -44.707 1.00 0.00 C ATOM 742 CG2 ILE A 48 85.692 -13.504 -45.589 1.00 0.00 C ATOM 743 CD1 ILE A 48 83.567 -11.752 -45.784 1.00 0.00 C ATOM 0 H ILE A 48 84.329 -13.628 -41.802 1.00 0.00 H new ATOM 0 HA ILE A 48 84.163 -15.356 -44.188 1.00 0.00 H new ATOM 0 HB ILE A 48 85.331 -12.588 -43.674 1.00 0.00 H new ATOM 0 HG12 ILE A 48 82.854 -13.665 -45.074 1.00 0.00 H new ATOM 0 HG13 ILE A 48 82.943 -12.434 -43.830 1.00 0.00 H new ATOM 0 HG21 ILE A 48 85.771 -12.552 -46.114 1.00 0.00 H new ATOM 0 HG22 ILE A 48 86.689 -13.853 -45.318 1.00 0.00 H new ATOM 0 HG23 ILE A 48 85.215 -14.238 -46.239 1.00 0.00 H new ATOM 0 HD11 ILE A 48 82.571 -11.404 -46.057 1.00 0.00 H new ATOM 0 HD12 ILE A 48 84.151 -10.915 -45.400 1.00 0.00 H new ATOM 0 HD13 ILE A 48 84.060 -12.166 -46.664 1.00 0.00 H new ATOM 755 N CYS A 49 86.371 -16.425 -43.893 1.00 0.00 N ATOM 756 CA CYS A 49 87.676 -17.064 -43.766 1.00 0.00 C ATOM 757 C CYS A 49 88.674 -16.440 -44.736 1.00 0.00 C ATOM 758 O CYS A 49 88.482 -16.481 -45.951 1.00 0.00 O ATOM 759 CB CYS A 49 87.550 -18.553 -44.095 1.00 0.00 C ATOM 760 SG CYS A 49 86.573 -19.471 -42.881 1.00 0.00 S ATOM 0 H CYS A 49 85.681 -16.966 -44.414 1.00 0.00 H new ATOM 0 HA CYS A 49 88.028 -16.927 -42.743 1.00 0.00 H new ATOM 0 HB2 CYS A 49 87.093 -18.664 -45.078 1.00 0.00 H new ATOM 0 HB3 CYS A 49 88.546 -18.991 -44.156 1.00 0.00 H new ATOM 765 N ASP A 50 89.741 -15.865 -44.191 1.00 0.00 N ATOM 766 CA ASP A 50 90.744 -15.202 -45.016 1.00 0.00 C ATOM 767 C ASP A 50 92.057 -15.978 -44.989 1.00 0.00 C ATOM 768 O ASP A 50 92.685 -16.118 -43.940 1.00 0.00 O ATOM 769 CB ASP A 50 90.981 -13.778 -44.509 1.00 0.00 C ATOM 770 CG ASP A 50 89.653 -13.134 -44.124 1.00 0.00 C ATOM 771 OD1 ASP A 50 88.628 -13.757 -44.350 1.00 0.00 O ATOM 772 OD2 ASP A 50 89.680 -12.029 -43.609 1.00 0.00 O ATOM 0 H ASP A 50 89.933 -15.844 -43.189 1.00 0.00 H new ATOM 0 HA ASP A 50 90.377 -15.165 -46.042 1.00 0.00 H new ATOM 0 HB2 ASP A 50 91.649 -13.796 -43.648 1.00 0.00 H new ATOM 0 HB3 ASP A 50 91.472 -13.185 -45.281 1.00 0.00 H new ATOM 777 N TYR A 51 92.465 -16.479 -46.150 1.00 0.00 N ATOM 778 CA TYR A 51 93.731 -17.195 -46.258 1.00 0.00 C ATOM 779 C TYR A 51 94.763 -16.350 -46.998 1.00 0.00 C ATOM 780 O TYR A 51 95.246 -16.734 -48.064 1.00 0.00 O ATOM 781 CB TYR A 51 93.520 -18.516 -47.002 1.00 0.00 C ATOM 782 CG TYR A 51 92.111 -19.005 -46.764 1.00 0.00 C ATOM 783 CD1 TYR A 51 91.077 -18.605 -47.619 1.00 0.00 C ATOM 784 CD2 TYR A 51 91.838 -19.860 -45.689 1.00 0.00 C ATOM 785 CE1 TYR A 51 89.770 -19.058 -47.399 1.00 0.00 C ATOM 786 CE2 TYR A 51 90.532 -20.314 -45.469 1.00 0.00 C ATOM 787 CZ TYR A 51 89.498 -19.913 -46.324 1.00 0.00 C ATOM 788 OH TYR A 51 88.210 -20.360 -46.106 1.00 0.00 O ATOM 0 H TYR A 51 91.943 -16.404 -47.023 1.00 0.00 H new ATOM 0 HA TYR A 51 94.100 -17.399 -45.253 1.00 0.00 H new ATOM 0 HB2 TYR A 51 93.693 -18.377 -48.069 1.00 0.00 H new ATOM 0 HB3 TYR A 51 94.238 -19.260 -46.657 1.00 0.00 H new ATOM 0 HD1 TYR A 51 91.287 -17.947 -48.449 1.00 0.00 H new ATOM 0 HD2 TYR A 51 92.635 -20.169 -45.029 1.00 0.00 H new ATOM 0 HE1 TYR A 51 88.973 -18.748 -48.058 1.00 0.00 H new ATOM 0 HE2 TYR A 51 90.322 -20.973 -44.640 1.00 0.00 H new ATOM 0 HH TYR A 51 87.842 -20.718 -46.941 1.00 0.00 H new ATOM 798 N CYS A 52 95.097 -15.198 -46.426 1.00 0.00 N ATOM 799 CA CYS A 52 96.055 -14.294 -47.052 1.00 0.00 C ATOM 800 C CYS A 52 96.400 -13.145 -46.111 1.00 0.00 C ATOM 801 O CYS A 52 96.074 -13.181 -44.924 1.00 0.00 O ATOM 802 CB CYS A 52 95.473 -13.734 -48.352 1.00 0.00 C ATOM 803 SG CYS A 52 95.755 -14.912 -49.695 1.00 0.00 S ATOM 0 H CYS A 52 94.722 -14.870 -45.536 1.00 0.00 H new ATOM 0 HA CYS A 52 96.964 -14.854 -47.273 1.00 0.00 H new ATOM 0 HB2 CYS A 52 94.405 -13.548 -48.235 1.00 0.00 H new ATOM 0 HB3 CYS A 52 95.939 -12.777 -48.589 1.00 0.00 H new ATOM 808 N GLU A 53 97.064 -12.125 -46.647 1.00 0.00 N ATOM 809 CA GLU A 53 97.432 -10.961 -45.849 1.00 0.00 C ATOM 810 C GLU A 53 96.521 -9.780 -46.173 1.00 0.00 C ATOM 811 O GLU A 53 96.933 -8.829 -46.836 1.00 0.00 O ATOM 812 CB GLU A 53 98.887 -10.577 -46.127 1.00 0.00 C ATOM 813 CG GLU A 53 99.328 -9.502 -45.132 1.00 0.00 C ATOM 814 CD GLU A 53 100.748 -9.048 -45.453 1.00 0.00 C ATOM 815 OE1 GLU A 53 101.306 -9.546 -46.416 1.00 0.00 O ATOM 816 OE2 GLU A 53 101.258 -8.208 -44.729 1.00 0.00 O ATOM 0 H GLU A 53 97.356 -12.081 -47.623 1.00 0.00 H new ATOM 0 HA GLU A 53 97.318 -11.215 -44.795 1.00 0.00 H new ATOM 0 HB2 GLU A 53 99.529 -11.454 -46.040 1.00 0.00 H new ATOM 0 HB3 GLU A 53 98.988 -10.207 -47.147 1.00 0.00 H new ATOM 0 HG2 GLU A 53 98.647 -8.652 -45.176 1.00 0.00 H new ATOM 0 HG3 GLU A 53 99.283 -9.894 -44.116 1.00 0.00 H new ATOM 823 N TYR A 54 95.281 -9.849 -45.698 1.00 0.00 N ATOM 824 CA TYR A 54 94.323 -8.774 -45.936 1.00 0.00 C ATOM 825 C TYR A 54 94.442 -8.257 -47.366 1.00 0.00 C ATOM 826 CB TYR A 54 94.571 -7.628 -44.953 1.00 0.00 C ATOM 827 CG TYR A 54 94.609 -8.171 -43.544 1.00 0.00 C ATOM 828 CD1 TYR A 54 95.792 -8.725 -43.040 1.00 0.00 C ATOM 829 CD2 TYR A 54 93.462 -8.120 -42.744 1.00 0.00 C ATOM 830 CE1 TYR A 54 95.828 -9.227 -41.734 1.00 0.00 C ATOM 831 CE2 TYR A 54 93.498 -8.623 -41.438 1.00 0.00 C ATOM 832 CZ TYR A 54 94.680 -9.177 -40.933 1.00 0.00 C ATOM 833 OH TYR A 54 94.716 -9.673 -39.646 1.00 0.00 O ATOM 0 H TYR A 54 94.918 -10.630 -45.151 1.00 0.00 H new ATOM 0 HA TYR A 54 93.318 -9.168 -45.788 1.00 0.00 H new ATOM 0 HB2 TYR A 54 95.512 -7.131 -45.188 1.00 0.00 H new ATOM 0 HB3 TYR A 54 93.784 -6.880 -45.044 1.00 0.00 H new ATOM 0 HD1 TYR A 54 96.676 -8.765 -43.659 1.00 0.00 H new ATOM 0 HD2 TYR A 54 92.550 -7.693 -43.134 1.00 0.00 H new ATOM 0 HE1 TYR A 54 96.741 -9.653 -41.344 1.00 0.00 H new ATOM 0 HE2 TYR A 54 92.613 -8.584 -40.820 1.00 0.00 H new ATOM 0 HH TYR A 54 93.837 -9.560 -39.227 1.00 0.00 H new