USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 863 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 97 CYS SG : rot 175:sc= -2.08 USER MOD Set 1.2: A 102 CYS SG : rot -162:sc= 1.08! USER MOD Set 1.3: A 104 LYS NZ :NH3+ 173:sc= 1.13 (180deg=0) USER MOD Set 1.4: A 115 HIS : no HE2:sc= -0.284 K(o=-1.2,f=-2.6) USER MOD Set 1.5: A 116 HIS : no HE2:sc= -1.15 X(o=-1.2,f=-0.74) USER MOD Set 1.6: A 119 HIS : no HE2:sc= 0.0771 K(o=-1.2,f=-2.3) USER MOD Set 2.1: A 69 CYS SG : rot 70:sc= 2.16 USER MOD Set 2.2: A 71 THR OG1 : rot 65:sc= 1.09 USER MOD Set 2.3: A 72 CYS SG : rot -49:sc= 0.344 USER MOD Set 2.4: A 85 HIS : no HD1:sc= -1.94 K(o=0.88,f=-3.1) USER MOD Set 2.5: A 89 HIS : no HE2:sc= -0.764 K(o=0.88,f=-0.67!) USER MOD Set 3.1: A 37 TYR OH : rot 153:sc= 1 USER MOD Set 3.2: A 51 SER OG : rot -76:sc= 1.57 USER MOD Set 4.1: A 39 CYS SG : rot 60:sc= 0.538 USER MOD Set 4.2: A 57 HIS : no HD1:sc= -2.91 K(o=-1.5,f=-0.15) USER MOD Set 4.3: A 58 GLN : amide:sc= 0.869 K(o=-1.5,f=-3.1) USER MOD Set 4.4: A 61 HIS : no HE2:sc= 0.00571 X(o=-1.5,f=-1.9) USER MOD Set 5.1: A 9 CYS SG : rot 80:sc= -0.228! USER MOD Set 5.2: A 14 CYS SG : rot -141:sc= 0.662 USER MOD Set 5.3: A 16 LYS NZ :NH3+ -141:sc= 1.43 (180deg=-0.00781) USER MOD Set 5.4: A 18 TYR OH : rot 180:sc= -0.073 USER MOD Set 5.5: A 27 HIS : no HD1:sc= -2.68 K(o=-2.1,f=-5.1) USER MOD Set 5.6: A 31 HIS : no HE2:sc= -1.22 K(o=-2.1,f=-4.8) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0.767 K(o=0.77,f=-0.15) USER MOD Single : A 20 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0837) USER MOD Single : A 22 SER OG : rot 180:sc= 0.00304 USER MOD Single : A 23 HIS : no HE2:sc= -2.01 K(o=-2,f=-6!) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 70:sc= 1.12 USER MOD Single : A 30 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0144) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 49 SER OG : rot -42:sc= 0.0317 USER MOD Single : A 53 GLN : amide:sc= -2.41! K(o=-2.4!,f=-0.3) USER MOD Single : A 55 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0325) USER MOD Single : A 62 THR OG1 : rot -75:sc= -0.0658 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0.665 K(o=0.67,f=-1.3) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.221 K(o=-0.22,f=-0.99) USER MOD Single : A 75 LYS NZ :NH3+ -127:sc= 0.242 (180deg=-0.141) USER MOD Single : A 77 SER OG : rot -77:sc= 0.952 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HD1:sc= -0.568 K(o=-0.57,f=-1.1) USER MOD Single : A 83 LYS NZ :NH3+ 149:sc= -0.167 (180deg=-1.01) USER MOD Single : A 84 THR OG1 : rot 59:sc= 1.2 USER MOD Single : A 86 THR OG1 : rot 80:sc= 1.27 USER MOD Single : A 88 THR OG1 : rot 96:sc= 1.29 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 179:sc= 0.561 (180deg=0.56) USER MOD Single : A 96 SER OG : rot 46:sc= 1.26 USER MOD Single : A 101 SER OG : rot -2:sc= 1.15 USER MOD Single : A 103 GLN : amide:sc= -1.17 K(o=-1.2,f=-3.8!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0.0211 USER MOD Single : A 117 ASN : amide:sc= 0.895 K(o=0.9,f=-0.021) USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 97 N PHE A 7 13.264 18.277 -6.081 1.00 0.00 N ATOM 98 CA PHE A 7 12.487 17.672 -4.994 1.00 0.00 C ATOM 99 C PHE A 7 12.909 16.206 -4.760 1.00 0.00 C ATOM 100 O PHE A 7 12.209 15.287 -5.169 1.00 0.00 O ATOM 101 CB PHE A 7 10.979 17.718 -5.340 1.00 0.00 C ATOM 102 CG PHE A 7 10.214 19.020 -5.261 1.00 0.00 C ATOM 103 CD1 PHE A 7 9.745 19.480 -4.018 1.00 0.00 C ATOM 104 CD2 PHE A 7 9.823 19.683 -6.440 1.00 0.00 C ATOM 105 CE1 PHE A 7 8.921 20.618 -3.957 1.00 0.00 C ATOM 106 CE2 PHE A 7 8.963 20.794 -6.375 1.00 0.00 C ATOM 107 CZ PHE A 7 8.530 21.278 -5.132 1.00 0.00 C ATOM 0 HA PHE A 7 12.679 18.240 -4.084 1.00 0.00 H new ATOM 0 HB2 PHE A 7 10.870 17.342 -6.357 1.00 0.00 H new ATOM 0 HB3 PHE A 7 10.476 17.009 -4.683 1.00 0.00 H new ATOM 0 HD1 PHE A 7 10.017 18.960 -3.111 1.00 0.00 H new ATOM 0 HD2 PHE A 7 10.185 19.337 -7.397 1.00 0.00 H new ATOM 0 HE1 PHE A 7 8.587 20.987 -2.999 1.00 0.00 H new ATOM 0 HE2 PHE A 7 8.635 21.276 -7.284 1.00 0.00 H new ATOM 0 HZ PHE A 7 7.900 22.153 -5.079 1.00 0.00 H new ATOM 117 N MET A 8 14.111 15.995 -4.212 1.00 0.00 N ATOM 118 CA MET A 8 14.606 14.618 -4.110 1.00 0.00 C ATOM 119 C MET A 8 14.015 13.892 -2.926 1.00 0.00 C ATOM 120 O MET A 8 13.811 14.467 -1.852 1.00 0.00 O ATOM 121 CB MET A 8 16.144 14.614 -4.008 1.00 0.00 C ATOM 122 CG MET A 8 16.768 15.058 -2.675 1.00 0.00 C ATOM 123 SD MET A 8 16.547 16.802 -2.227 1.00 0.00 S ATOM 124 CE MET A 8 17.289 16.767 -0.577 1.00 0.00 C ATOM 0 H MET A 8 14.732 16.719 -3.849 1.00 0.00 H new ATOM 0 HA MET A 8 14.295 14.092 -5.013 1.00 0.00 H new ATOM 0 HB2 MET A 8 16.493 13.604 -4.223 1.00 0.00 H new ATOM 0 HB3 MET A 8 16.535 15.260 -4.794 1.00 0.00 H new ATOM 0 HG2 MET A 8 16.347 14.444 -1.879 1.00 0.00 H new ATOM 0 HG3 MET A 8 17.837 14.846 -2.710 1.00 0.00 H new ATOM 0 HE1 MET A 8 17.245 17.763 -0.137 1.00 0.00 H new ATOM 0 HE2 MET A 8 16.741 16.067 0.054 1.00 0.00 H new ATOM 0 HE3 MET A 8 18.329 16.450 -0.652 1.00 0.00 H new ATOM 134 N CYS A 9 13.748 12.605 -3.139 1.00 0.00 N ATOM 135 CA CYS A 9 13.263 11.721 -2.094 1.00 0.00 C ATOM 136 C CYS A 9 14.331 11.563 -0.974 1.00 0.00 C ATOM 137 O CYS A 9 15.498 11.936 -1.151 1.00 0.00 O ATOM 138 CB CYS A 9 12.927 10.349 -2.708 1.00 0.00 C ATOM 139 SG CYS A 9 12.281 9.188 -1.494 1.00 0.00 S ATOM 0 H CYS A 9 13.864 12.150 -4.044 1.00 0.00 H new ATOM 0 HA CYS A 9 12.365 12.150 -1.648 1.00 0.00 H new ATOM 0 HB2 CYS A 9 12.195 10.481 -3.505 1.00 0.00 H new ATOM 0 HB3 CYS A 9 13.824 9.930 -3.165 1.00 0.00 H new ATOM 0 HG CYS A 9 11.023 9.437 -1.282 1.00 0.00 H new ATOM 144 N ALA A 10 13.922 10.987 0.158 1.00 0.00 N ATOM 145 CA ALA A 10 14.835 10.725 1.284 1.00 0.00 C ATOM 146 C ALA A 10 14.910 9.209 1.598 1.00 0.00 C ATOM 147 O ALA A 10 15.717 8.779 2.425 1.00 0.00 O ATOM 148 CB ALA A 10 14.357 11.496 2.519 1.00 0.00 C ATOM 0 H ALA A 10 12.960 10.690 0.324 1.00 0.00 H new ATOM 0 HA ALA A 10 15.834 11.061 1.008 1.00 0.00 H new ATOM 0 HB1 ALA A 10 15.032 11.303 3.353 1.00 0.00 H new ATOM 0 HB2 ALA A 10 14.347 12.564 2.300 1.00 0.00 H new ATOM 0 HB3 ALA A 10 13.351 11.171 2.784 1.00 0.00 H new ATOM 154 N TYR A 11 14.044 8.418 0.949 1.00 0.00 N ATOM 155 CA TYR A 11 13.975 6.980 1.188 1.00 0.00 C ATOM 156 C TYR A 11 15.247 6.271 0.651 1.00 0.00 C ATOM 157 O TYR A 11 15.746 6.608 -0.428 1.00 0.00 O ATOM 158 CB TYR A 11 12.728 6.406 0.499 1.00 0.00 C ATOM 159 CG TYR A 11 12.188 5.135 1.114 1.00 0.00 C ATOM 160 CD1 TYR A 11 11.310 5.211 2.212 1.00 0.00 C ATOM 161 CD2 TYR A 11 12.594 3.884 0.618 1.00 0.00 C ATOM 162 CE1 TYR A 11 10.904 4.043 2.879 1.00 0.00 C ATOM 163 CE2 TYR A 11 12.215 2.716 1.303 1.00 0.00 C ATOM 164 CZ TYR A 11 11.415 2.799 2.463 1.00 0.00 C ATOM 165 OH TYR A 11 11.156 1.692 3.205 1.00 0.00 O ATOM 0 H TYR A 11 13.381 8.757 0.252 1.00 0.00 H new ATOM 0 HA TYR A 11 13.913 6.806 2.262 1.00 0.00 H new ATOM 0 HB2 TYR A 11 11.943 7.162 0.514 1.00 0.00 H new ATOM 0 HB3 TYR A 11 12.965 6.214 -0.547 1.00 0.00 H new ATOM 0 HD1 TYR A 11 10.947 6.173 2.543 1.00 0.00 H new ATOM 0 HD2 TYR A 11 13.191 3.821 -0.280 1.00 0.00 H new ATOM 0 HE1 TYR A 11 10.207 4.099 3.702 1.00 0.00 H new ATOM 0 HE2 TYR A 11 12.537 1.751 0.940 1.00 0.00 H new ATOM 0 HH TYR A 11 11.576 0.912 2.786 1.00 0.00 H new ATOM 175 N PRO A 12 15.772 5.263 1.395 1.00 0.00 N ATOM 176 CA PRO A 12 16.951 4.505 0.970 1.00 0.00 C ATOM 177 C PRO A 12 16.710 3.757 -0.349 1.00 0.00 C ATOM 178 O PRO A 12 15.585 3.370 -0.656 1.00 0.00 O ATOM 179 CB PRO A 12 17.195 3.520 2.123 1.00 0.00 C ATOM 180 CG PRO A 12 15.848 3.395 2.832 1.00 0.00 C ATOM 181 CD PRO A 12 15.252 4.788 2.670 1.00 0.00 C ATOM 0 HA PRO A 12 17.805 5.155 0.777 1.00 0.00 H new ATOM 0 HB2 PRO A 12 17.536 2.554 1.751 1.00 0.00 H new ATOM 0 HB3 PRO A 12 17.964 3.890 2.801 1.00 0.00 H new ATOM 0 HG2 PRO A 12 15.220 2.630 2.375 1.00 0.00 H new ATOM 0 HG3 PRO A 12 15.967 3.125 3.881 1.00 0.00 H new ATOM 0 HD2 PRO A 12 14.162 4.755 2.667 1.00 0.00 H new ATOM 0 HD3 PRO A 12 15.549 5.444 3.488 1.00 0.00 H new ATOM 189 N GLY A 13 17.777 3.582 -1.137 1.00 0.00 N ATOM 190 CA GLY A 13 17.657 2.944 -2.458 1.00 0.00 C ATOM 191 C GLY A 13 17.136 3.919 -3.535 1.00 0.00 C ATOM 192 O GLY A 13 17.486 3.796 -4.707 1.00 0.00 O ATOM 0 H GLY A 13 18.724 3.869 -0.889 1.00 0.00 H new ATOM 0 HA2 GLY A 13 18.630 2.557 -2.762 1.00 0.00 H new ATOM 0 HA3 GLY A 13 16.982 2.091 -2.387 1.00 0.00 H new ATOM 196 N CYS A 14 16.295 4.881 -3.117 1.00 0.00 N ATOM 197 CA CYS A 14 15.731 5.877 -4.027 1.00 0.00 C ATOM 198 C CYS A 14 16.560 7.189 -3.986 1.00 0.00 C ATOM 199 O CYS A 14 17.541 7.333 -4.718 1.00 0.00 O ATOM 200 CB CYS A 14 14.265 6.161 -3.638 1.00 0.00 C ATOM 201 SG CYS A 14 13.634 7.467 -4.729 1.00 0.00 S ATOM 0 H CYS A 14 15.993 4.985 -2.148 1.00 0.00 H new ATOM 0 HA CYS A 14 15.765 5.484 -5.043 1.00 0.00 H new ATOM 0 HB2 CYS A 14 13.663 5.258 -3.738 1.00 0.00 H new ATOM 0 HB3 CYS A 14 14.202 6.473 -2.595 1.00 0.00 H new ATOM 0 HG CYS A 14 12.871 8.270 -4.049 1.00 0.00 H new ATOM 206 N ASN A 15 16.126 8.145 -3.140 1.00 0.00 N ATOM 207 CA ASN A 15 16.759 9.476 -3.038 1.00 0.00 C ATOM 208 C ASN A 15 16.774 10.214 -4.419 1.00 0.00 C ATOM 209 O ASN A 15 17.542 11.159 -4.619 1.00 0.00 O ATOM 210 CB ASN A 15 18.202 9.329 -2.491 1.00 0.00 C ATOM 211 CG ASN A 15 18.895 10.612 -2.032 1.00 0.00 C ATOM 212 OD1 ASN A 15 20.105 10.739 -2.135 1.00 0.00 O ATOM 213 ND2 ASN A 15 18.207 11.591 -1.476 1.00 0.00 N ATOM 0 H ASN A 15 15.332 8.018 -2.512 1.00 0.00 H new ATOM 0 HA ASN A 15 16.169 10.080 -2.349 1.00 0.00 H new ATOM 0 HB2 ASN A 15 18.179 8.635 -1.651 1.00 0.00 H new ATOM 0 HB3 ASN A 15 18.815 8.870 -3.266 1.00 0.00 H new ATOM 0 HD21 ASN A 15 18.687 12.428 -1.145 1.00 0.00 H new ATOM 0 HD22 ASN A 15 17.195 11.511 -1.377 1.00 0.00 H new ATOM 220 N LYS A 16 15.917 9.766 -5.359 1.00 0.00 N ATOM 221 CA LYS A 16 15.882 10.328 -6.718 1.00 0.00 C ATOM 222 C LYS A 16 15.275 11.716 -6.705 1.00 0.00 C ATOM 223 O LYS A 16 14.464 12.034 -5.836 1.00 0.00 O ATOM 224 CB LYS A 16 15.059 9.412 -7.642 1.00 0.00 C ATOM 225 CG LYS A 16 15.729 8.040 -7.837 1.00 0.00 C ATOM 226 CD LYS A 16 15.021 7.179 -8.894 1.00 0.00 C ATOM 227 CE LYS A 16 13.590 6.770 -8.515 1.00 0.00 C ATOM 228 NZ LYS A 16 13.564 5.854 -7.358 1.00 0.00 N ATOM 0 H LYS A 16 15.242 9.018 -5.199 1.00 0.00 H new ATOM 0 HA LYS A 16 16.904 10.396 -7.091 1.00 0.00 H new ATOM 0 HB2 LYS A 16 14.063 9.273 -7.221 1.00 0.00 H new ATOM 0 HB3 LYS A 16 14.931 9.894 -8.611 1.00 0.00 H new ATOM 0 HG2 LYS A 16 16.768 8.186 -8.131 1.00 0.00 H new ATOM 0 HG3 LYS A 16 15.738 7.506 -6.887 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.993 7.728 -9.835 1.00 0.00 H new ATOM 0 HD3 LYS A 16 15.611 6.279 -9.068 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.007 7.662 -8.284 1.00 0.00 H new ATOM 0 HE3 LYS A 16 13.112 6.289 -9.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.835 5.128 -7.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 14.492 5.397 -7.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 13.347 6.391 -6.495 1.00 0.00 H new ATOM 242 N ARG A 17 15.671 12.553 -7.679 1.00 0.00 N ATOM 243 CA ARG A 17 15.295 13.971 -7.675 1.00 0.00 C ATOM 244 C ARG A 17 14.099 14.226 -8.590 1.00 0.00 C ATOM 245 O ARG A 17 14.127 13.886 -9.772 1.00 0.00 O ATOM 246 CB ARG A 17 16.487 14.833 -8.138 1.00 0.00 C ATOM 247 CG ARG A 17 17.845 14.485 -7.499 1.00 0.00 C ATOM 248 CD ARG A 17 18.890 15.577 -7.762 1.00 0.00 C ATOM 249 NE ARG A 17 19.157 15.748 -9.201 1.00 0.00 N ATOM 250 CZ ARG A 17 19.592 16.846 -9.812 1.00 0.00 C ATOM 251 NH1 ARG A 17 19.863 17.960 -9.166 1.00 0.00 N ATOM 252 NH2 ARG A 17 19.770 16.841 -11.114 1.00 0.00 N ATOM 0 H ARG A 17 16.247 12.272 -8.472 1.00 0.00 H new ATOM 0 HA ARG A 17 15.017 14.243 -6.657 1.00 0.00 H new ATOM 0 HB2 ARG A 17 16.580 14.742 -9.220 1.00 0.00 H new ATOM 0 HB3 ARG A 17 16.262 15.878 -7.925 1.00 0.00 H new ATOM 0 HG2 ARG A 17 17.719 14.353 -6.424 1.00 0.00 H new ATOM 0 HG3 ARG A 17 18.202 13.535 -7.897 1.00 0.00 H new ATOM 0 HD2 ARG A 17 18.542 16.521 -7.343 1.00 0.00 H new ATOM 0 HD3 ARG A 17 19.817 15.323 -7.249 1.00 0.00 H new ATOM 0 HE ARG A 17 18.990 14.935 -9.794 1.00 0.00 H new ATOM 0 HH11 ARG A 17 19.741 18.005 -8.154 1.00 0.00 H new ATOM 0 HH12 ARG A 17 20.195 18.778 -9.677 1.00 0.00 H new ATOM 0 HH21 ARG A 17 19.575 15.997 -11.652 1.00 0.00 H new ATOM 0 HH22 ARG A 17 20.104 17.681 -11.586 1.00 0.00 H new ATOM 266 N TYR A 18 13.064 14.868 -8.035 1.00 0.00 N ATOM 267 CA TYR A 18 11.852 15.184 -8.792 1.00 0.00 C ATOM 268 C TYR A 18 11.815 16.676 -9.164 1.00 0.00 C ATOM 269 O TYR A 18 12.649 17.456 -8.716 1.00 0.00 O ATOM 270 CB TYR A 18 10.620 14.816 -7.962 1.00 0.00 C ATOM 271 CG TYR A 18 10.495 13.315 -7.808 1.00 0.00 C ATOM 272 CD1 TYR A 18 11.288 12.628 -6.869 1.00 0.00 C ATOM 273 CD2 TYR A 18 9.709 12.588 -8.718 1.00 0.00 C ATOM 274 CE1 TYR A 18 11.368 11.230 -6.899 1.00 0.00 C ATOM 275 CE2 TYR A 18 9.838 11.193 -8.797 1.00 0.00 C ATOM 276 CZ TYR A 18 10.712 10.516 -7.920 1.00 0.00 C ATOM 277 OH TYR A 18 10.936 9.183 -8.050 1.00 0.00 O ATOM 0 H TYR A 18 13.044 15.178 -7.063 1.00 0.00 H new ATOM 0 HA TYR A 18 11.853 14.604 -9.715 1.00 0.00 H new ATOM 0 HB2 TYR A 18 10.688 15.281 -6.979 1.00 0.00 H new ATOM 0 HB3 TYR A 18 9.724 15.211 -8.440 1.00 0.00 H new ATOM 0 HD1 TYR A 18 11.837 13.182 -6.122 1.00 0.00 H new ATOM 0 HD2 TYR A 18 9.006 13.103 -9.356 1.00 0.00 H new ATOM 0 HE1 TYR A 18 11.930 10.702 -6.143 1.00 0.00 H new ATOM 0 HE2 TYR A 18 9.269 10.638 -9.528 1.00 0.00 H new ATOM 0 HH TYR A 18 10.410 8.834 -8.799 1.00 0.00 H new ATOM 287 N PHE A 19 10.868 17.049 -10.027 1.00 0.00 N ATOM 288 CA PHE A 19 10.770 18.432 -10.527 1.00 0.00 C ATOM 289 C PHE A 19 9.409 19.059 -10.174 1.00 0.00 C ATOM 290 O PHE A 19 9.188 20.253 -10.398 1.00 0.00 O ATOM 291 CB PHE A 19 10.962 18.439 -12.043 1.00 0.00 C ATOM 292 CG PHE A 19 12.349 18.001 -12.481 1.00 0.00 C ATOM 293 CD1 PHE A 19 13.485 18.736 -12.083 1.00 0.00 C ATOM 294 CD2 PHE A 19 12.514 16.843 -13.266 1.00 0.00 C ATOM 295 CE1 PHE A 19 14.770 18.319 -12.469 1.00 0.00 C ATOM 296 CE2 PHE A 19 13.802 16.426 -13.651 1.00 0.00 C ATOM 297 CZ PHE A 19 14.930 17.165 -13.254 1.00 0.00 C ATOM 0 H PHE A 19 10.157 16.418 -10.397 1.00 0.00 H new ATOM 0 HA PHE A 19 11.550 19.025 -10.050 1.00 0.00 H new ATOM 0 HB2 PHE A 19 10.222 17.781 -12.498 1.00 0.00 H new ATOM 0 HB3 PHE A 19 10.771 19.443 -12.421 1.00 0.00 H new ATOM 0 HD1 PHE A 19 13.367 19.623 -11.479 1.00 0.00 H new ATOM 0 HD2 PHE A 19 11.649 16.273 -13.573 1.00 0.00 H new ATOM 0 HE1 PHE A 19 15.636 18.886 -12.162 1.00 0.00 H new ATOM 0 HE2 PHE A 19 13.924 15.537 -14.252 1.00 0.00 H new ATOM 0 HZ PHE A 19 15.918 16.846 -13.552 1.00 0.00 H new ATOM 307 N LYS A 20 8.516 18.249 -9.594 1.00 0.00 N ATOM 308 CA LYS A 20 7.203 18.717 -9.143 1.00 0.00 C ATOM 309 C LYS A 20 6.870 18.109 -7.783 1.00 0.00 C ATOM 310 O LYS A 20 7.273 16.995 -7.482 1.00 0.00 O ATOM 311 CB LYS A 20 6.127 18.332 -10.181 1.00 0.00 C ATOM 312 CG LYS A 20 6.101 19.431 -11.253 1.00 0.00 C ATOM 313 CD LYS A 20 5.148 19.190 -12.428 1.00 0.00 C ATOM 314 CE LYS A 20 5.507 20.134 -13.590 1.00 0.00 C ATOM 315 NZ LYS A 20 5.491 21.560 -13.193 1.00 0.00 N ATOM 0 H LYS A 20 8.683 17.257 -9.425 1.00 0.00 H new ATOM 0 HA LYS A 20 7.224 19.802 -9.043 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.356 17.365 -10.629 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.151 18.239 -9.704 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.829 20.372 -10.776 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.110 19.553 -11.647 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.215 18.153 -12.756 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.118 19.360 -12.114 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.496 19.878 -13.969 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.803 19.981 -14.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.537 22.158 -14.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.615 21.766 -12.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.310 21.760 -12.585 1.00 0.00 H new ATOM 329 N LEU A 21 6.140 18.855 -6.960 1.00 0.00 N ATOM 330 CA LEU A 21 5.836 18.417 -5.597 1.00 0.00 C ATOM 331 C LEU A 21 4.747 17.304 -5.607 1.00 0.00 C ATOM 332 O LEU A 21 4.915 16.266 -4.989 1.00 0.00 O ATOM 333 CB LEU A 21 5.371 19.612 -4.749 1.00 0.00 C ATOM 334 CG LEU A 21 5.758 19.479 -3.254 1.00 0.00 C ATOM 335 CD1 LEU A 21 5.277 20.712 -2.483 1.00 0.00 C ATOM 336 CD2 LEU A 21 5.301 18.201 -2.543 1.00 0.00 C ATOM 0 H LEU A 21 5.748 19.763 -7.209 1.00 0.00 H new ATOM 0 HA LEU A 21 6.743 18.004 -5.156 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.805 20.527 -5.151 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.289 19.710 -4.831 1.00 0.00 H new ATOM 0 HG LEU A 21 6.846 19.407 -3.258 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.551 20.614 -1.433 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.743 21.605 -2.898 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.194 20.795 -2.569 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.631 18.225 -1.504 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.214 18.135 -2.577 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.733 17.333 -3.041 1.00 0.00 H new ATOM 348 N SER A 22 3.651 17.538 -6.345 1.00 0.00 N ATOM 349 CA SER A 22 2.553 16.541 -6.484 1.00 0.00 C ATOM 350 C SER A 22 3.004 15.298 -7.285 1.00 0.00 C ATOM 351 O SER A 22 2.593 14.177 -6.999 1.00 0.00 O ATOM 352 CB SER A 22 1.356 17.191 -7.184 1.00 0.00 C ATOM 353 OG SER A 22 1.770 17.849 -8.371 1.00 0.00 O ATOM 0 H SER A 22 3.492 18.405 -6.858 1.00 0.00 H new ATOM 0 HA SER A 22 2.272 16.212 -5.483 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.611 16.432 -7.423 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.879 17.905 -6.513 1.00 0.00 H new ATOM 0 HG SER A 22 0.993 18.257 -8.807 1.00 0.00 H new ATOM 359 N HIS A 23 3.844 15.518 -8.282 1.00 0.00 N ATOM 360 CA HIS A 23 4.419 14.412 -9.052 1.00 0.00 C ATOM 361 C HIS A 23 5.348 13.571 -8.135 1.00 0.00 C ATOM 362 O HIS A 23 5.216 12.345 -8.052 1.00 0.00 O ATOM 363 CB HIS A 23 5.155 14.963 -10.301 1.00 0.00 C ATOM 364 CG HIS A 23 6.595 14.722 -10.698 1.00 0.00 C ATOM 365 ND1 HIS A 23 7.004 14.445 -11.984 1.00 0.00 N ATOM 366 CD2 HIS A 23 7.705 15.144 -10.030 1.00 0.00 C ATOM 367 CE1 HIS A 23 8.320 14.702 -12.071 1.00 0.00 C ATOM 368 NE2 HIS A 23 8.794 15.140 -10.900 1.00 0.00 N ATOM 0 H HIS A 23 4.146 16.445 -8.581 1.00 0.00 H new ATOM 0 HA HIS A 23 3.630 13.752 -9.413 1.00 0.00 H new ATOM 0 HB2 HIS A 23 4.562 14.632 -11.154 1.00 0.00 H new ATOM 0 HB3 HIS A 23 5.050 16.046 -10.242 1.00 0.00 H new ATOM 0 HD1 HIS A 23 6.410 14.104 -12.740 1.00 0.00 H new ATOM 0 HD2 HIS A 23 7.736 15.436 -8.991 1.00 0.00 H new ATOM 0 HE1 HIS A 23 8.913 14.573 -12.964 1.00 0.00 H new ATOM 376 N LEU A 24 6.163 14.265 -7.333 1.00 0.00 N ATOM 377 CA LEU A 24 6.940 13.621 -6.272 1.00 0.00 C ATOM 378 C LEU A 24 6.007 12.978 -5.177 1.00 0.00 C ATOM 379 O LEU A 24 6.339 11.944 -4.602 1.00 0.00 O ATOM 380 CB LEU A 24 7.889 14.648 -5.636 1.00 0.00 C ATOM 381 CG LEU A 24 8.795 14.303 -4.438 1.00 0.00 C ATOM 382 CD1 LEU A 24 8.185 14.772 -3.112 1.00 0.00 C ATOM 383 CD2 LEU A 24 9.212 12.839 -4.340 1.00 0.00 C ATOM 0 H LEU A 24 6.301 15.273 -7.400 1.00 0.00 H new ATOM 0 HA LEU A 24 7.522 12.813 -6.715 1.00 0.00 H new ATOM 0 HB2 LEU A 24 8.544 15.002 -6.432 1.00 0.00 H new ATOM 0 HB3 LEU A 24 7.274 15.494 -5.329 1.00 0.00 H new ATOM 0 HG LEU A 24 9.713 14.857 -4.634 1.00 0.00 H new ATOM 0 HD11 LEU A 24 8.853 14.511 -2.291 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.047 15.853 -3.137 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.221 14.286 -2.963 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.847 12.699 -3.465 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.324 12.213 -4.248 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.763 12.557 -5.237 1.00 0.00 H new ATOM 395 N GLN A 25 4.840 13.584 -4.929 1.00 0.00 N ATOM 396 CA GLN A 25 3.854 13.007 -3.992 1.00 0.00 C ATOM 397 C GLN A 25 3.339 11.653 -4.512 1.00 0.00 C ATOM 398 O GLN A 25 3.187 10.705 -3.744 1.00 0.00 O ATOM 399 CB GLN A 25 2.672 13.976 -3.782 1.00 0.00 C ATOM 400 CG GLN A 25 1.521 13.403 -2.929 1.00 0.00 C ATOM 401 CD GLN A 25 0.391 14.404 -2.693 1.00 0.00 C ATOM 402 OE1 GLN A 25 0.350 15.496 -3.238 1.00 0.00 O ATOM 403 NE2 GLN A 25 -0.562 14.078 -1.838 1.00 0.00 N ATOM 0 H GLN A 25 4.552 14.464 -5.356 1.00 0.00 H new ATOM 0 HA GLN A 25 4.350 12.848 -3.035 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.043 14.884 -3.307 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.277 14.264 -4.756 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.117 12.519 -3.422 1.00 0.00 H new ATOM 0 HG3 GLN A 25 1.917 13.078 -1.967 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.542 13.170 -1.374 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -1.317 14.735 -1.642 1.00 0.00 H new ATOM 412 N MET A 26 3.134 11.551 -5.835 1.00 0.00 N ATOM 413 CA MET A 26 2.779 10.273 -6.454 1.00 0.00 C ATOM 414 C MET A 26 3.932 9.263 -6.303 1.00 0.00 C ATOM 415 O MET A 26 3.712 8.130 -5.883 1.00 0.00 O ATOM 416 CB MET A 26 2.442 10.468 -7.943 1.00 0.00 C ATOM 417 CG MET A 26 1.826 9.172 -8.508 1.00 0.00 C ATOM 418 SD MET A 26 0.290 8.622 -7.691 1.00 0.00 S ATOM 419 CE MET A 26 0.332 6.829 -7.988 1.00 0.00 C ATOM 0 H MET A 26 3.208 12.332 -6.487 1.00 0.00 H new ATOM 0 HA MET A 26 1.899 9.881 -5.945 1.00 0.00 H new ATOM 0 HB2 MET A 26 1.744 11.297 -8.063 1.00 0.00 H new ATOM 0 HB3 MET A 26 3.343 10.727 -8.499 1.00 0.00 H new ATOM 0 HG2 MET A 26 1.622 9.318 -9.569 1.00 0.00 H new ATOM 0 HG3 MET A 26 2.565 8.374 -8.432 1.00 0.00 H new ATOM 0 HE1 MET A 26 -0.548 6.366 -7.542 1.00 0.00 H new ATOM 0 HE2 MET A 26 0.339 6.638 -9.061 1.00 0.00 H new ATOM 0 HE3 MET A 26 1.231 6.407 -7.539 1.00 0.00 H new ATOM 429 N HIS A 27 5.181 9.727 -6.509 1.00 0.00 N ATOM 430 CA HIS A 27 6.369 8.881 -6.261 1.00 0.00 C ATOM 431 C HIS A 27 6.390 8.401 -4.803 1.00 0.00 C ATOM 432 O HIS A 27 6.640 7.224 -4.528 1.00 0.00 O ATOM 433 CB HIS A 27 7.663 9.669 -6.555 1.00 0.00 C ATOM 434 CG HIS A 27 8.849 9.018 -5.878 1.00 0.00 C ATOM 435 ND1 HIS A 27 9.316 7.740 -6.124 1.00 0.00 N ATOM 436 CD2 HIS A 27 9.534 9.505 -4.794 1.00 0.00 C ATOM 437 CE1 HIS A 27 10.285 7.485 -5.228 1.00 0.00 C ATOM 438 NE2 HIS A 27 10.446 8.540 -4.425 1.00 0.00 N ATOM 0 H HIS A 27 5.393 10.668 -6.841 1.00 0.00 H new ATOM 0 HA HIS A 27 6.314 8.018 -6.924 1.00 0.00 H new ATOM 0 HB2 HIS A 27 7.831 9.714 -7.631 1.00 0.00 H new ATOM 0 HB3 HIS A 27 7.557 10.696 -6.206 1.00 0.00 H new ATOM 0 HD2 HIS A 27 9.386 10.464 -4.319 1.00 0.00 H new ATOM 0 HE1 HIS A 27 10.848 6.566 -5.167 1.00 0.00 H new ATOM 0 HE2 HIS A 27 11.126 8.618 -3.669 1.00 0.00 H new ATOM 446 N SER A 28 6.017 9.300 -3.888 1.00 0.00 N ATOM 447 CA SER A 28 6.036 9.016 -2.457 1.00 0.00 C ATOM 448 C SER A 28 5.136 7.826 -2.121 1.00 0.00 C ATOM 449 O SER A 28 5.382 7.124 -1.152 1.00 0.00 O ATOM 450 CB SER A 28 5.580 10.253 -1.667 1.00 0.00 C ATOM 451 OG SER A 28 6.371 11.388 -1.985 1.00 0.00 O ATOM 0 H SER A 28 5.695 10.240 -4.120 1.00 0.00 H new ATOM 0 HA SER A 28 7.058 8.764 -2.176 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.533 10.463 -1.888 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.646 10.049 -0.598 1.00 0.00 H new ATOM 0 HG SER A 28 6.173 11.679 -2.899 1.00 0.00 H new ATOM 457 N ARG A 29 4.098 7.587 -2.951 1.00 0.00 N ATOM 458 CA ARG A 29 3.159 6.471 -2.727 1.00 0.00 C ATOM 459 C ARG A 29 3.916 5.132 -2.628 1.00 0.00 C ATOM 460 O ARG A 29 3.618 4.311 -1.758 1.00 0.00 O ATOM 461 CB ARG A 29 2.137 6.409 -3.883 1.00 0.00 C ATOM 462 CG ARG A 29 0.971 5.407 -3.758 1.00 0.00 C ATOM 463 CD ARG A 29 1.190 4.085 -4.520 1.00 0.00 C ATOM 464 NE ARG A 29 1.918 3.098 -3.712 1.00 0.00 N ATOM 465 CZ ARG A 29 2.727 2.126 -4.112 1.00 0.00 C ATOM 466 NH1 ARG A 29 3.030 1.917 -5.373 1.00 0.00 N ATOM 467 NH2 ARG A 29 3.263 1.332 -3.213 1.00 0.00 N ATOM 0 H ARG A 29 3.891 8.149 -3.777 1.00 0.00 H new ATOM 0 HA ARG A 29 2.635 6.643 -1.787 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.711 7.405 -4.008 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.681 6.178 -4.799 1.00 0.00 H new ATOM 0 HG2 ARG A 29 0.810 5.183 -2.703 1.00 0.00 H new ATOM 0 HG3 ARG A 29 0.060 5.879 -4.126 1.00 0.00 H new ATOM 0 HD2 ARG A 29 0.225 3.672 -4.814 1.00 0.00 H new ATOM 0 HD3 ARG A 29 1.745 4.283 -5.437 1.00 0.00 H new ATOM 0 HE ARG A 29 1.783 3.170 -2.704 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.637 2.517 -6.098 1.00 0.00 H new ATOM 0 HH12 ARG A 29 3.658 1.155 -5.627 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.055 1.468 -2.224 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.887 0.580 -3.504 1.00 0.00 H new ATOM 481 N LYS A 30 4.964 4.964 -3.458 1.00 0.00 N ATOM 482 CA LYS A 30 5.834 3.767 -3.379 1.00 0.00 C ATOM 483 C LYS A 30 6.424 3.616 -1.965 1.00 0.00 C ATOM 484 O LYS A 30 6.473 2.520 -1.420 1.00 0.00 O ATOM 485 CB LYS A 30 6.980 3.883 -4.406 1.00 0.00 C ATOM 486 CG LYS A 30 8.033 2.769 -4.263 1.00 0.00 C ATOM 487 CD LYS A 30 9.150 2.891 -5.308 1.00 0.00 C ATOM 488 CE LYS A 30 10.360 2.017 -4.948 1.00 0.00 C ATOM 489 NZ LYS A 30 10.019 0.581 -4.873 1.00 0.00 N ATOM 0 H LYS A 30 5.229 5.631 -4.183 1.00 0.00 H new ATOM 0 HA LYS A 30 5.230 2.887 -3.603 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.563 3.853 -5.412 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.466 4.852 -4.291 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.467 2.807 -3.264 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.548 1.798 -4.363 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.767 2.599 -6.286 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.463 3.932 -5.387 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.143 2.163 -5.692 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.766 2.341 -3.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.882 0.028 -4.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.341 0.425 -4.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.594 0.278 -5.772 1.00 0.00 H new ATOM 503 N HIS A 31 6.824 4.738 -1.376 1.00 0.00 N ATOM 504 CA HIS A 31 7.473 4.759 -0.064 1.00 0.00 C ATOM 505 C HIS A 31 6.435 4.884 1.087 1.00 0.00 C ATOM 506 O HIS A 31 6.791 4.789 2.260 1.00 0.00 O ATOM 507 CB HIS A 31 8.480 5.910 -0.004 1.00 0.00 C ATOM 508 CG HIS A 31 9.593 5.683 -1.009 1.00 0.00 C ATOM 509 ND1 HIS A 31 10.144 4.464 -1.351 1.00 0.00 N ATOM 510 CD2 HIS A 31 10.248 6.635 -1.740 1.00 0.00 C ATOM 511 CE1 HIS A 31 11.121 4.678 -2.242 1.00 0.00 C ATOM 512 NE2 HIS A 31 11.231 5.981 -2.497 1.00 0.00 N ATOM 0 H HIS A 31 6.708 5.662 -1.793 1.00 0.00 H new ATOM 0 HA HIS A 31 7.997 3.813 0.071 1.00 0.00 H new ATOM 0 HB2 HIS A 31 7.977 6.854 -0.214 1.00 0.00 H new ATOM 0 HB3 HIS A 31 8.897 5.987 1.000 1.00 0.00 H new ATOM 0 HD1 HIS A 31 9.856 3.556 -0.987 1.00 0.00 H new ATOM 0 HD2 HIS A 31 10.046 7.696 -1.735 1.00 0.00 H new ATOM 0 HE1 HIS A 31 11.731 3.907 -2.689 1.00 0.00 H new ATOM 520 N THR A 32 5.148 5.051 0.729 1.00 0.00 N ATOM 521 CA THR A 32 4.085 5.111 1.754 1.00 0.00 C ATOM 522 C THR A 32 3.627 3.691 2.134 1.00 0.00 C ATOM 523 O THR A 32 3.094 3.476 3.220 1.00 0.00 O ATOM 524 CB THR A 32 2.867 5.922 1.254 1.00 0.00 C ATOM 525 OG1 THR A 32 2.383 6.671 2.342 1.00 0.00 O ATOM 526 CG2 THR A 32 1.637 5.172 0.724 1.00 0.00 C ATOM 0 H THR A 32 4.823 5.145 -0.233 1.00 0.00 H new ATOM 0 HA THR A 32 4.501 5.609 2.630 1.00 0.00 H new ATOM 0 HB THR A 32 3.273 6.467 0.402 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.609 7.199 2.057 1.00 0.00 H new ATOM 0 HG21 THR A 32 0.878 5.891 0.416 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.925 4.559 -0.130 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.234 4.533 1.510 1.00 0.00 H new ATOM 592 N TYR A 37 7.491 -1.885 9.906 1.00 0.00 N ATOM 593 CA TYR A 37 6.902 -2.202 11.222 1.00 0.00 C ATOM 594 C TYR A 37 7.496 -3.514 11.786 1.00 0.00 C ATOM 595 O TYR A 37 8.112 -4.290 11.058 1.00 0.00 O ATOM 596 CB TYR A 37 5.372 -2.342 11.099 1.00 0.00 C ATOM 597 CG TYR A 37 4.621 -1.044 10.879 1.00 0.00 C ATOM 598 CD1 TYR A 37 4.225 -0.260 11.984 1.00 0.00 C ATOM 599 CD2 TYR A 37 4.290 -0.637 9.576 1.00 0.00 C ATOM 600 CE1 TYR A 37 3.479 0.918 11.787 1.00 0.00 C ATOM 601 CE2 TYR A 37 3.563 0.551 9.374 1.00 0.00 C ATOM 602 CZ TYR A 37 3.137 1.316 10.477 1.00 0.00 C ATOM 603 OH TYR A 37 2.347 2.404 10.266 1.00 0.00 O ATOM 0 HA TYR A 37 7.138 -1.386 11.905 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.150 -3.016 10.272 1.00 0.00 H new ATOM 0 HB3 TYR A 37 4.992 -2.814 12.005 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.495 -0.565 12.984 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.593 -1.235 8.730 1.00 0.00 H new ATOM 0 HE1 TYR A 37 3.170 1.513 12.634 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.331 0.877 8.371 1.00 0.00 H new ATOM 0 HH TYR A 37 2.551 2.791 9.389 1.00 0.00 H new ATOM 613 N GLN A 38 7.213 -3.786 13.067 1.00 0.00 N ATOM 614 CA GLN A 38 7.518 -5.091 13.682 1.00 0.00 C ATOM 615 C GLN A 38 6.292 -5.590 14.458 1.00 0.00 C ATOM 616 O GLN A 38 5.473 -4.788 14.913 1.00 0.00 O ATOM 617 CB GLN A 38 8.728 -4.953 14.630 1.00 0.00 C ATOM 618 CG GLN A 38 9.325 -6.272 15.161 1.00 0.00 C ATOM 619 CD GLN A 38 10.525 -6.032 16.079 1.00 0.00 C ATOM 620 OE1 GLN A 38 10.522 -5.157 16.931 1.00 0.00 O ATOM 621 NE2 GLN A 38 11.603 -6.784 15.963 1.00 0.00 N ATOM 0 H GLN A 38 6.772 -3.120 13.701 1.00 0.00 H new ATOM 0 HA GLN A 38 7.764 -5.811 12.902 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.513 -4.406 14.108 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.429 -4.344 15.483 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.558 -6.824 15.704 1.00 0.00 H new ATOM 0 HG3 GLN A 38 9.631 -6.895 14.321 1.00 0.00 H new ATOM 0 HE21 GLN A 38 11.636 -7.523 15.261 1.00 0.00 H new ATOM 0 HE22 GLN A 38 12.403 -6.626 16.576 1.00 0.00 H new ATOM 630 N CYS A 39 6.182 -6.906 14.624 1.00 0.00 N ATOM 631 CA CYS A 39 5.084 -7.490 15.398 1.00 0.00 C ATOM 632 C CYS A 39 5.228 -7.152 16.890 1.00 0.00 C ATOM 633 O CYS A 39 6.309 -7.297 17.473 1.00 0.00 O ATOM 634 CB CYS A 39 5.054 -8.990 15.219 1.00 0.00 C ATOM 635 SG CYS A 39 3.473 -9.553 15.920 1.00 0.00 S ATOM 0 H CYS A 39 6.835 -7.587 14.236 1.00 0.00 H new ATOM 0 HA CYS A 39 4.150 -7.066 15.030 1.00 0.00 H new ATOM 0 HB2 CYS A 39 5.130 -9.258 14.165 1.00 0.00 H new ATOM 0 HB3 CYS A 39 5.895 -9.460 15.729 1.00 0.00 H new ATOM 0 HG CYS A 39 2.490 -8.985 15.286 1.00 0.00 H new ATOM 731 N ARG A 46 8.846 -10.879 13.656 1.00 0.00 N ATOM 732 CA ARG A 46 8.383 -10.623 12.292 1.00 0.00 C ATOM 733 C ARG A 46 8.299 -9.126 12.037 1.00 0.00 C ATOM 734 O ARG A 46 8.023 -8.343 12.950 1.00 0.00 O ATOM 735 CB ARG A 46 7.000 -11.266 12.068 1.00 0.00 C ATOM 736 CG ARG A 46 6.929 -12.803 12.133 1.00 0.00 C ATOM 737 CD ARG A 46 8.002 -13.544 11.327 1.00 0.00 C ATOM 738 NE ARG A 46 9.162 -13.840 12.173 1.00 0.00 N ATOM 739 CZ ARG A 46 10.415 -14.088 11.828 1.00 0.00 C ATOM 740 NH1 ARG A 46 10.824 -14.107 10.578 1.00 0.00 N ATOM 741 NH2 ARG A 46 11.281 -14.336 12.779 1.00 0.00 N ATOM 0 HA ARG A 46 9.097 -11.064 11.596 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.313 -10.863 12.812 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.633 -10.950 11.091 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.005 -13.110 13.176 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.948 -13.120 11.778 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.590 -14.470 10.926 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.310 -12.937 10.475 1.00 0.00 H new ATOM 0 HE ARG A 46 8.976 -13.857 13.176 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.163 -13.925 9.822 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.802 -14.304 10.364 1.00 0.00 H new ATOM 0 HH21 ARG A 46 10.982 -14.334 13.754 1.00 0.00 H new ATOM 0 HH22 ARG A 46 12.254 -14.531 12.544 1.00 0.00 H new ATOM 755 N ARG A 47 8.507 -8.732 10.779 1.00 0.00 N ATOM 756 CA ARG A 47 8.417 -7.328 10.376 1.00 0.00 C ATOM 757 C ARG A 47 7.525 -7.185 9.150 1.00 0.00 C ATOM 758 O ARG A 47 7.342 -8.135 8.389 1.00 0.00 O ATOM 759 CB ARG A 47 9.822 -6.777 10.070 1.00 0.00 C ATOM 760 CG ARG A 47 10.657 -6.588 11.345 1.00 0.00 C ATOM 761 CD ARG A 47 12.013 -5.928 11.057 1.00 0.00 C ATOM 762 NE ARG A 47 12.883 -6.758 10.200 1.00 0.00 N ATOM 763 CZ ARG A 47 13.559 -7.841 10.571 1.00 0.00 C ATOM 764 NH1 ARG A 47 13.503 -8.309 11.796 1.00 0.00 N ATOM 765 NH2 ARG A 47 14.309 -8.481 9.703 1.00 0.00 N ATOM 0 H ARG A 47 8.740 -9.370 10.018 1.00 0.00 H new ATOM 0 HA ARG A 47 7.980 -6.757 11.195 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.340 -7.459 9.396 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.732 -5.823 9.551 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.100 -5.976 12.055 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.819 -7.557 11.818 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.848 -4.965 10.574 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.523 -5.729 12.000 1.00 0.00 H new ATOM 0 HE ARG A 47 12.975 -6.472 9.225 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.928 -7.839 12.496 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.034 -9.142 12.048 1.00 0.00 H new ATOM 0 HH21 ARG A 47 14.374 -8.147 8.741 1.00 0.00 H new ATOM 0 HH22 ARG A 47 14.826 -9.312 9.991 1.00 0.00 H new ATOM 779 N PHE A 48 6.949 -5.995 8.984 1.00 0.00 N ATOM 780 CA PHE A 48 5.951 -5.746 7.935 1.00 0.00 C ATOM 781 C PHE A 48 6.212 -4.421 7.240 1.00 0.00 C ATOM 782 O PHE A 48 7.005 -3.616 7.704 1.00 0.00 O ATOM 783 CB PHE A 48 4.547 -5.745 8.551 1.00 0.00 C ATOM 784 CG PHE A 48 4.214 -7.150 8.973 1.00 0.00 C ATOM 785 CD1 PHE A 48 3.917 -8.083 7.967 1.00 0.00 C ATOM 786 CD2 PHE A 48 4.466 -7.576 10.291 1.00 0.00 C ATOM 787 CE1 PHE A 48 3.914 -9.451 8.260 1.00 0.00 C ATOM 788 CE2 PHE A 48 4.501 -8.949 10.577 1.00 0.00 C ATOM 789 CZ PHE A 48 4.263 -9.882 9.551 1.00 0.00 C ATOM 0 H PHE A 48 7.155 -5.182 9.564 1.00 0.00 H new ATOM 0 HA PHE A 48 6.024 -6.540 7.192 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.509 -5.072 9.408 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.816 -5.382 7.828 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.691 -7.745 6.967 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.631 -6.852 11.075 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.646 -10.170 7.500 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.710 -9.289 11.581 1.00 0.00 H new ATOM 0 HZ PHE A 48 4.349 -10.939 9.758 1.00 0.00 H new ATOM 799 N SER A 49 5.578 -4.229 6.079 1.00 0.00 N ATOM 800 CA SER A 49 5.817 -3.042 5.251 1.00 0.00 C ATOM 801 C SER A 49 4.667 -2.018 5.384 1.00 0.00 C ATOM 802 O SER A 49 4.776 -0.891 4.901 1.00 0.00 O ATOM 803 CB SER A 49 5.964 -3.466 3.782 1.00 0.00 C ATOM 804 OG SER A 49 6.533 -2.466 2.978 1.00 0.00 O ATOM 0 H SER A 49 4.895 -4.880 5.691 1.00 0.00 H new ATOM 0 HA SER A 49 6.734 -2.564 5.597 1.00 0.00 H new ATOM 0 HB2 SER A 49 6.581 -4.363 3.728 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.983 -3.729 3.386 1.00 0.00 H new ATOM 0 HG SER A 49 6.144 -1.597 3.212 1.00 0.00 H new ATOM 810 N ARG A 50 3.583 -2.414 6.073 1.00 0.00 N ATOM 811 CA ARG A 50 2.446 -1.514 6.325 1.00 0.00 C ATOM 812 C ARG A 50 1.775 -1.850 7.652 1.00 0.00 C ATOM 813 O ARG A 50 1.838 -2.990 8.122 1.00 0.00 O ATOM 814 CB ARG A 50 1.415 -1.633 5.189 1.00 0.00 C ATOM 815 CG ARG A 50 1.690 -0.709 3.993 1.00 0.00 C ATOM 816 CD ARG A 50 0.406 -0.461 3.189 1.00 0.00 C ATOM 817 NE ARG A 50 -0.144 -1.712 2.634 1.00 0.00 N ATOM 818 CZ ARG A 50 0.060 -2.181 1.409 1.00 0.00 C ATOM 819 NH1 ARG A 50 0.793 -1.536 0.537 1.00 0.00 N ATOM 820 NH2 ARG A 50 -0.424 -3.340 1.065 1.00 0.00 N ATOM 0 H ARG A 50 3.471 -3.349 6.464 1.00 0.00 H new ATOM 0 HA ARG A 50 2.825 -0.493 6.369 1.00 0.00 H new ATOM 0 HB2 ARG A 50 1.393 -2.665 4.839 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.425 -1.410 5.587 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.092 0.240 4.346 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.447 -1.156 3.349 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.339 0.010 3.830 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.615 0.236 2.377 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.737 -2.269 3.249 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.225 -0.648 0.792 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.932 -1.922 -0.397 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.961 -3.888 1.737 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.267 -3.699 0.123 1.00 0.00 H new ATOM 834 N SER A 51 1.065 -0.865 8.212 1.00 0.00 N ATOM 835 CA SER A 51 0.321 -1.047 9.459 1.00 0.00 C ATOM 836 C SER A 51 -0.742 -2.137 9.295 1.00 0.00 C ATOM 837 O SER A 51 -0.924 -2.972 10.170 1.00 0.00 O ATOM 838 CB SER A 51 -0.358 0.279 9.870 1.00 0.00 C ATOM 839 OG SER A 51 0.130 1.412 9.165 1.00 0.00 O ATOM 0 H SER A 51 0.991 0.072 7.817 1.00 0.00 H new ATOM 0 HA SER A 51 1.022 -1.350 10.236 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.432 0.194 9.704 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.212 0.436 10.939 1.00 0.00 H new ATOM 0 HG SER A 51 1.008 1.665 9.519 1.00 0.00 H new ATOM 845 N ASP A 52 -1.451 -2.105 8.161 1.00 0.00 N ATOM 846 CA ASP A 52 -2.523 -3.066 7.881 1.00 0.00 C ATOM 847 C ASP A 52 -1.965 -4.503 7.719 1.00 0.00 C ATOM 848 O ASP A 52 -2.593 -5.462 8.156 1.00 0.00 O ATOM 849 CB ASP A 52 -3.277 -2.652 6.615 1.00 0.00 C ATOM 850 CG ASP A 52 -2.368 -2.290 5.440 1.00 0.00 C ATOM 851 OD1 ASP A 52 -1.955 -3.201 4.691 1.00 0.00 O ATOM 852 OD2 ASP A 52 -2.042 -1.087 5.337 1.00 0.00 O ATOM 0 H ASP A 52 -1.300 -1.421 7.420 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.208 -3.064 8.729 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.936 -3.467 6.314 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.913 -1.797 6.846 1.00 0.00 H new ATOM 857 N GLN A 53 -0.760 -4.631 7.139 1.00 0.00 N ATOM 858 CA GLN A 53 -0.105 -5.945 6.993 1.00 0.00 C ATOM 859 C GLN A 53 0.329 -6.488 8.368 1.00 0.00 C ATOM 860 O GLN A 53 0.135 -7.662 8.669 1.00 0.00 O ATOM 861 CB GLN A 53 1.119 -5.826 6.069 1.00 0.00 C ATOM 862 CG GLN A 53 1.589 -7.188 5.536 1.00 0.00 C ATOM 863 CD GLN A 53 0.653 -7.844 4.523 1.00 0.00 C ATOM 864 OE1 GLN A 53 -0.028 -7.205 3.731 1.00 0.00 O ATOM 865 NE2 GLN A 53 0.604 -9.161 4.510 1.00 0.00 N ATOM 0 H GLN A 53 -0.222 -3.849 6.766 1.00 0.00 H new ATOM 0 HA GLN A 53 -0.820 -6.640 6.552 1.00 0.00 H new ATOM 0 HB2 GLN A 53 0.874 -5.176 5.229 1.00 0.00 H new ATOM 0 HB3 GLN A 53 1.936 -5.351 6.613 1.00 0.00 H new ATOM 0 HG2 GLN A 53 2.568 -7.062 5.074 1.00 0.00 H new ATOM 0 HG3 GLN A 53 1.719 -7.866 6.380 1.00 0.00 H new ATOM 0 HE21 GLN A 53 1.169 -9.699 5.167 1.00 0.00 H new ATOM 0 HE22 GLN A 53 0.001 -9.642 3.843 1.00 0.00 H new ATOM 874 N LEU A 54 0.859 -5.598 9.214 1.00 0.00 N ATOM 875 CA LEU A 54 1.188 -5.938 10.600 1.00 0.00 C ATOM 876 C LEU A 54 -0.093 -6.310 11.391 1.00 0.00 C ATOM 877 O LEU A 54 -0.124 -7.316 12.095 1.00 0.00 O ATOM 878 CB LEU A 54 1.895 -4.731 11.266 1.00 0.00 C ATOM 879 CG LEU A 54 1.957 -4.653 12.795 1.00 0.00 C ATOM 880 CD1 LEU A 54 2.601 -5.882 13.421 1.00 0.00 C ATOM 881 CD2 LEU A 54 2.787 -3.435 13.221 1.00 0.00 C ATOM 0 H LEU A 54 1.070 -4.633 8.960 1.00 0.00 H new ATOM 0 HA LEU A 54 1.853 -6.801 10.607 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.919 -4.704 10.894 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.403 -3.825 10.911 1.00 0.00 H new ATOM 0 HG LEU A 54 0.926 -4.581 13.140 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.618 -5.772 14.505 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.026 -6.769 13.156 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.621 -5.987 13.051 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.827 -3.385 14.309 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.798 -3.527 12.824 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.326 -2.527 12.833 1.00 0.00 H new ATOM 893 N LYS A 55 -1.162 -5.518 11.216 1.00 0.00 N ATOM 894 CA LYS A 55 -2.463 -5.809 11.845 1.00 0.00 C ATOM 895 C LYS A 55 -3.005 -7.164 11.373 1.00 0.00 C ATOM 896 O LYS A 55 -3.466 -7.963 12.182 1.00 0.00 O ATOM 897 CB LYS A 55 -3.472 -4.698 11.510 1.00 0.00 C ATOM 898 CG LYS A 55 -3.248 -3.470 12.405 1.00 0.00 C ATOM 899 CD LYS A 55 -4.032 -2.248 11.905 1.00 0.00 C ATOM 900 CE LYS A 55 -3.944 -1.074 12.887 1.00 0.00 C ATOM 901 NZ LYS A 55 -2.556 -0.600 13.062 1.00 0.00 N ATOM 0 H LYS A 55 -1.153 -4.672 10.646 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.319 -5.850 12.925 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.372 -4.413 10.463 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.488 -5.071 11.643 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -3.552 -3.704 13.425 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.185 -3.232 12.436 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.644 -1.940 10.934 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.077 -2.522 11.758 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.564 -0.253 12.527 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.347 -1.379 13.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.550 0.236 13.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.984 -1.354 13.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.156 -0.348 12.136 1.00 0.00 H new ATOM 915 N ARG A 56 -2.892 -7.438 10.061 1.00 0.00 N ATOM 916 CA ARG A 56 -3.243 -8.759 9.508 1.00 0.00 C ATOM 917 C ARG A 56 -2.408 -9.859 10.179 1.00 0.00 C ATOM 918 O ARG A 56 -2.951 -10.836 10.682 1.00 0.00 O ATOM 919 CB ARG A 56 -3.001 -8.773 7.978 1.00 0.00 C ATOM 920 CG ARG A 56 -3.348 -10.109 7.290 1.00 0.00 C ATOM 921 CD ARG A 56 -2.584 -10.322 5.972 1.00 0.00 C ATOM 922 NE ARG A 56 -3.110 -9.534 4.845 1.00 0.00 N ATOM 923 CZ ARG A 56 -2.673 -9.601 3.588 1.00 0.00 C ATOM 924 NH1 ARG A 56 -1.746 -10.450 3.201 1.00 0.00 N ATOM 925 NH2 ARG A 56 -3.147 -8.812 2.657 1.00 0.00 N ATOM 0 H ARG A 56 -2.562 -6.767 9.367 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.298 -8.951 9.705 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.592 -7.979 7.522 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -1.953 -8.541 7.786 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.124 -10.931 7.970 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.419 -10.142 7.092 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.536 -10.065 6.125 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.618 -11.380 5.710 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.871 -8.884 5.043 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.330 -11.093 3.875 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.443 -10.465 2.227 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -3.867 -8.127 2.887 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.796 -8.882 1.702 1.00 0.00 H new ATOM 939 N HIS A 57 -1.097 -9.636 10.277 1.00 0.00 N ATOM 940 CA HIS A 57 -0.187 -10.616 10.869 1.00 0.00 C ATOM 941 C HIS A 57 -0.563 -10.894 12.336 1.00 0.00 C ATOM 942 O HIS A 57 -0.617 -12.045 12.758 1.00 0.00 O ATOM 943 CB HIS A 57 1.255 -10.095 10.795 1.00 0.00 C ATOM 944 CG HIS A 57 2.204 -10.971 11.577 1.00 0.00 C ATOM 945 ND1 HIS A 57 2.630 -12.236 11.227 1.00 0.00 N ATOM 946 CD2 HIS A 57 2.729 -10.682 12.808 1.00 0.00 C ATOM 947 CE1 HIS A 57 3.375 -12.703 12.245 1.00 0.00 C ATOM 948 NE2 HIS A 57 3.474 -11.788 13.215 1.00 0.00 N ATOM 0 H HIS A 57 -0.641 -8.783 9.953 1.00 0.00 H new ATOM 0 HA HIS A 57 -0.269 -11.547 10.308 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.574 -10.052 9.754 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.295 -9.077 11.183 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.591 -9.765 13.362 1.00 0.00 H new ATOM 0 HE1 HIS A 57 3.830 -13.682 12.275 1.00 0.00 H new ATOM 0 HE2 HIS A 57 3.995 -11.881 14.087 1.00 0.00 H new ATOM 956 N GLN A 58 -0.904 -9.837 13.072 1.00 0.00 N ATOM 957 CA GLN A 58 -1.332 -9.958 14.467 1.00 0.00 C ATOM 958 C GLN A 58 -2.500 -10.971 14.622 1.00 0.00 C ATOM 959 O GLN A 58 -2.563 -11.699 15.616 1.00 0.00 O ATOM 960 CB GLN A 58 -1.745 -8.586 15.015 1.00 0.00 C ATOM 961 CG GLN A 58 -0.580 -7.990 15.822 1.00 0.00 C ATOM 962 CD GLN A 58 -0.346 -8.763 17.123 1.00 0.00 C ATOM 963 OE1 GLN A 58 -1.247 -8.903 17.938 1.00 0.00 O ATOM 964 NE2 GLN A 58 0.820 -9.339 17.349 1.00 0.00 N ATOM 0 H GLN A 58 -0.892 -8.879 12.722 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.487 -10.335 15.042 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.013 -7.920 14.195 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.628 -8.685 15.647 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.328 -8.007 15.219 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.791 -6.945 16.051 1.00 0.00 H new ATOM 0 HE21 GLN A 58 1.581 -9.231 16.678 1.00 0.00 H new ATOM 0 HE22 GLN A 58 0.960 -9.892 18.194 1.00 0.00 H new ATOM 973 N ARG A 59 -3.443 -10.990 13.654 1.00 0.00 N ATOM 974 CA ARG A 59 -4.587 -11.938 13.713 1.00 0.00 C ATOM 975 C ARG A 59 -4.090 -13.396 13.839 1.00 0.00 C ATOM 976 O ARG A 59 -4.712 -14.206 14.518 1.00 0.00 O ATOM 977 CB ARG A 59 -5.486 -11.791 12.469 1.00 0.00 C ATOM 978 CG ARG A 59 -6.659 -10.803 12.640 1.00 0.00 C ATOM 979 CD ARG A 59 -6.312 -9.385 13.099 1.00 0.00 C ATOM 980 NE ARG A 59 -6.090 -9.310 14.556 1.00 0.00 N ATOM 981 CZ ARG A 59 -5.435 -8.371 15.224 1.00 0.00 C ATOM 982 NH1 ARG A 59 -4.806 -7.382 14.633 1.00 0.00 N ATOM 983 NH2 ARG A 59 -5.380 -8.438 16.533 1.00 0.00 N ATOM 0 H ARG A 59 -3.440 -10.377 12.839 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.175 -11.694 14.598 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.872 -11.465 11.629 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.887 -12.770 12.209 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -7.183 -10.732 11.687 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -7.359 -11.230 13.358 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -5.416 -9.045 12.579 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.119 -8.707 12.821 1.00 0.00 H new ATOM 0 HE ARG A 59 -6.486 -10.067 15.113 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.808 -7.312 13.615 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -4.316 -6.683 15.191 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -5.838 -9.206 17.024 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.879 -7.722 17.060 1.00 0.00 H new ATOM 997 N ARG A 60 -2.932 -13.701 13.220 1.00 0.00 N ATOM 998 CA ARG A 60 -2.311 -15.044 13.332 1.00 0.00 C ATOM 999 C ARG A 60 -1.979 -15.385 14.802 1.00 0.00 C ATOM 1000 O ARG A 60 -2.094 -16.536 15.213 1.00 0.00 O ATOM 1001 CB ARG A 60 -1.021 -15.095 12.489 1.00 0.00 C ATOM 1002 CG ARG A 60 -0.379 -16.489 12.449 1.00 0.00 C ATOM 1003 CD ARG A 60 0.857 -16.486 11.537 1.00 0.00 C ATOM 1004 NE ARG A 60 1.324 -17.858 11.276 1.00 0.00 N ATOM 1005 CZ ARG A 60 2.198 -18.248 10.352 1.00 0.00 C ATOM 1006 NH1 ARG A 60 2.777 -17.408 9.522 1.00 0.00 N ATOM 1007 NH2 ARG A 60 2.501 -19.520 10.237 1.00 0.00 N ATOM 0 H ARG A 60 -2.408 -13.044 12.641 1.00 0.00 H new ATOM 0 HA ARG A 60 -3.025 -15.779 12.961 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.247 -14.777 11.471 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.302 -14.382 12.893 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.094 -16.794 13.456 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.103 -17.219 12.088 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.616 -15.994 10.594 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.656 -15.909 12.003 1.00 0.00 H new ATOM 0 HE ARG A 60 0.934 -18.590 11.869 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.562 -16.412 9.571 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.442 -17.752 8.829 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.067 -20.206 10.855 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.171 -19.823 9.530 1.00 0.00 H new ATOM 1021 N HIS A 61 -1.562 -14.373 15.577 1.00 0.00 N ATOM 1022 CA HIS A 61 -1.187 -14.574 16.989 1.00 0.00 C ATOM 1023 C HIS A 61 -2.417 -14.498 17.908 1.00 0.00 C ATOM 1024 O HIS A 61 -2.437 -15.104 18.976 1.00 0.00 O ATOM 1025 CB HIS A 61 -0.172 -13.500 17.417 1.00 0.00 C ATOM 1026 CG HIS A 61 1.218 -13.666 16.873 1.00 0.00 C ATOM 1027 ND1 HIS A 61 2.045 -14.742 17.107 1.00 0.00 N ATOM 1028 CD2 HIS A 61 1.950 -12.703 16.233 1.00 0.00 C ATOM 1029 CE1 HIS A 61 3.255 -14.427 16.616 1.00 0.00 C ATOM 1030 NE2 HIS A 61 3.243 -13.198 16.089 1.00 0.00 N ATOM 0 H HIS A 61 -1.475 -13.410 15.254 1.00 0.00 H new ATOM 0 HA HIS A 61 -0.744 -15.566 17.080 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -0.550 -12.525 17.108 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.118 -13.490 18.506 1.00 0.00 H new ATOM 0 HD1 HIS A 61 1.787 -15.615 17.567 1.00 0.00 H new ATOM 0 HD2 HIS A 61 1.592 -11.740 15.902 1.00 0.00 H new ATOM 0 HE1 HIS A 61 4.118 -15.076 16.643 1.00 0.00 H new ATOM 1038 N THR A 62 -3.401 -13.678 17.518 1.00 0.00 N ATOM 1039 CA THR A 62 -4.544 -13.354 18.397 1.00 0.00 C ATOM 1040 C THR A 62 -5.774 -14.233 18.085 1.00 0.00 C ATOM 1041 O THR A 62 -6.731 -14.256 18.854 1.00 0.00 O ATOM 1042 CB THR A 62 -4.943 -11.877 18.244 1.00 0.00 C ATOM 1043 OG1 THR A 62 -5.193 -11.538 16.904 1.00 0.00 O ATOM 1044 CG2 THR A 62 -3.824 -10.939 18.684 1.00 0.00 C ATOM 0 H THR A 62 -3.434 -13.226 16.604 1.00 0.00 H new ATOM 0 HA THR A 62 -4.221 -13.550 19.420 1.00 0.00 H new ATOM 0 HB THR A 62 -5.834 -11.763 18.862 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.343 -11.457 16.423 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.146 -9.905 18.560 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.587 -11.122 19.732 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.938 -11.118 18.075 1.00 0.00 H new ATOM 1052 N GLY A 63 -5.733 -14.956 16.952 1.00 0.00 N ATOM 1053 CA GLY A 63 -6.839 -15.855 16.567 1.00 0.00 C ATOM 1054 C GLY A 63 -8.122 -15.089 16.179 1.00 0.00 C ATOM 1055 O GLY A 63 -9.180 -15.693 16.004 1.00 0.00 O ATOM 0 H GLY A 63 -4.955 -14.937 16.292 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.523 -16.474 15.728 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.059 -16.529 17.395 1.00 0.00 H new ATOM 1059 N VAL A 64 -8.022 -13.757 16.078 1.00 0.00 N ATOM 1060 CA VAL A 64 -9.189 -12.904 15.825 1.00 0.00 C ATOM 1061 C VAL A 64 -9.691 -13.072 14.379 1.00 0.00 C ATOM 1062 O VAL A 64 -8.903 -13.081 13.428 1.00 0.00 O ATOM 1063 CB VAL A 64 -8.823 -11.425 16.090 1.00 0.00 C ATOM 1064 CG1 VAL A 64 -9.888 -10.411 15.652 1.00 0.00 C ATOM 1065 CG2 VAL A 64 -8.614 -11.209 17.596 1.00 0.00 C ATOM 0 H VAL A 64 -7.143 -13.247 16.168 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.990 -13.206 16.500 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.925 -11.250 15.498 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -9.544 -9.402 15.877 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -10.060 -10.505 14.580 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -10.817 -10.605 16.187 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.356 -10.166 17.782 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.532 -11.456 18.130 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.806 -11.851 17.947 1.00 0.00 H new ATOM 1075 N LYS A 65 -11.019 -13.168 14.227 1.00 0.00 N ATOM 1076 CA LYS A 65 -11.661 -13.256 12.907 1.00 0.00 C ATOM 1077 C LYS A 65 -12.844 -12.271 12.826 1.00 0.00 C ATOM 1078 O LYS A 65 -13.955 -12.594 13.251 1.00 0.00 O ATOM 1079 CB LYS A 65 -12.159 -14.690 12.657 1.00 0.00 C ATOM 1080 CG LYS A 65 -11.044 -15.721 12.437 1.00 0.00 C ATOM 1081 CD LYS A 65 -11.614 -17.136 12.304 1.00 0.00 C ATOM 1082 CE LYS A 65 -10.558 -18.084 11.730 1.00 0.00 C ATOM 1083 NZ LYS A 65 -11.173 -19.350 11.281 1.00 0.00 N ATOM 0 H LYS A 65 -11.674 -13.187 15.008 1.00 0.00 H new ATOM 0 HA LYS A 65 -10.929 -12.995 12.143 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -12.765 -15.004 13.507 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -12.812 -14.688 11.784 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -10.483 -15.467 11.538 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -10.343 -15.686 13.271 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -11.943 -17.495 13.279 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -12.491 -17.123 11.656 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.050 -17.605 10.893 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.800 -18.291 12.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.437 -19.976 10.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.637 -19.816 12.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.879 -19.151 10.543 1.00 0.00 H new ATOM 1097 N PRO A 66 -12.591 -11.024 12.363 1.00 0.00 N ATOM 1098 CA PRO A 66 -13.588 -9.967 12.376 1.00 0.00 C ATOM 1099 C PRO A 66 -14.504 -9.992 11.137 1.00 0.00 C ATOM 1100 O PRO A 66 -15.552 -9.351 11.132 1.00 0.00 O ATOM 1101 CB PRO A 66 -12.751 -8.684 12.406 1.00 0.00 C ATOM 1102 CG PRO A 66 -11.471 -9.041 11.652 1.00 0.00 C ATOM 1103 CD PRO A 66 -11.309 -10.547 11.864 1.00 0.00 C ATOM 0 HA PRO A 66 -14.268 -10.067 13.222 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -13.276 -7.857 11.927 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -12.535 -8.375 13.429 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -11.553 -8.796 10.593 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -10.614 -8.491 12.041 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -11.044 -11.046 10.932 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -10.511 -10.757 12.576 1.00 0.00 H new ATOM 1111 N PHE A 67 -14.124 -10.770 10.106 1.00 0.00 N ATOM 1112 CA PHE A 67 -14.963 -10.916 8.907 1.00 0.00 C ATOM 1113 C PHE A 67 -15.837 -12.169 9.026 1.00 0.00 C ATOM 1114 O PHE A 67 -15.336 -13.242 9.269 1.00 0.00 O ATOM 1115 CB PHE A 67 -14.073 -11.009 7.652 1.00 0.00 C ATOM 1116 CG PHE A 67 -13.123 -9.835 7.489 1.00 0.00 C ATOM 1117 CD1 PHE A 67 -13.570 -8.643 6.888 1.00 0.00 C ATOM 1118 CD2 PHE A 67 -11.803 -9.920 7.963 1.00 0.00 C ATOM 1119 CE1 PHE A 67 -12.703 -7.541 6.772 1.00 0.00 C ATOM 1120 CE2 PHE A 67 -10.928 -8.825 7.834 1.00 0.00 C ATOM 1121 CZ PHE A 67 -11.380 -7.635 7.240 1.00 0.00 C ATOM 0 H PHE A 67 -13.253 -11.300 10.080 1.00 0.00 H new ATOM 0 HA PHE A 67 -15.610 -10.043 8.819 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -13.493 -11.931 7.696 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -14.710 -11.075 6.770 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -14.581 -8.574 6.515 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -11.458 -10.831 8.429 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -13.053 -6.623 6.324 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -9.911 -8.900 8.191 1.00 0.00 H new ATOM 0 HZ PHE A 67 -10.712 -6.792 7.143 1.00 0.00 H new ATOM 1131 N GLN A 68 -17.158 -12.006 8.910 1.00 0.00 N ATOM 1132 CA GLN A 68 -18.090 -13.149 8.993 1.00 0.00 C ATOM 1133 C GLN A 68 -18.965 -13.226 7.746 1.00 0.00 C ATOM 1134 O GLN A 68 -19.419 -12.200 7.233 1.00 0.00 O ATOM 1135 CB GLN A 68 -18.970 -13.016 10.245 1.00 0.00 C ATOM 1136 CG GLN A 68 -19.809 -14.280 10.496 1.00 0.00 C ATOM 1137 CD GLN A 68 -20.244 -14.439 11.952 1.00 0.00 C ATOM 1138 OE1 GLN A 68 -20.389 -13.490 12.706 1.00 0.00 O ATOM 1139 NE2 GLN A 68 -20.428 -15.660 12.414 1.00 0.00 N ATOM 0 H GLN A 68 -17.610 -11.104 8.759 1.00 0.00 H new ATOM 0 HA GLN A 68 -17.506 -14.067 9.059 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -18.339 -12.821 11.112 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -19.632 -12.157 10.133 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -20.694 -14.252 9.861 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -19.232 -15.156 10.199 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -20.310 -16.462 11.795 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -20.688 -15.802 13.390 1.00 0.00 H new ATOM 1148 N CYS A 69 -19.201 -14.452 7.262 1.00 0.00 N ATOM 1149 CA CYS A 69 -20.034 -14.669 6.083 1.00 0.00 C ATOM 1150 C CYS A 69 -21.490 -14.239 6.360 1.00 0.00 C ATOM 1151 O CYS A 69 -21.984 -14.354 7.483 1.00 0.00 O ATOM 1152 CB CYS A 69 -19.994 -16.146 5.674 1.00 0.00 C ATOM 1153 SG CYS A 69 -21.061 -16.421 4.230 1.00 0.00 S ATOM 0 H CYS A 69 -18.824 -15.306 7.672 1.00 0.00 H new ATOM 0 HA CYS A 69 -19.641 -14.062 5.267 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -18.970 -16.440 5.441 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -20.324 -16.771 6.504 1.00 0.00 H new ATOM 0 HG CYS A 69 -20.529 -15.861 3.184 1.00 0.00 H new ATOM 1158 N LYS A 70 -22.166 -13.761 5.310 1.00 0.00 N ATOM 1159 CA LYS A 70 -23.581 -13.355 5.399 1.00 0.00 C ATOM 1160 C LYS A 70 -24.521 -14.494 4.931 1.00 0.00 C ATOM 1161 O LYS A 70 -25.711 -14.272 4.704 1.00 0.00 O ATOM 1162 CB LYS A 70 -23.819 -12.085 4.539 1.00 0.00 C ATOM 1163 CG LYS A 70 -23.027 -11.916 3.222 1.00 0.00 C ATOM 1164 CD LYS A 70 -23.082 -13.071 2.211 1.00 0.00 C ATOM 1165 CE LYS A 70 -24.490 -13.449 1.739 1.00 0.00 C ATOM 1166 NZ LYS A 70 -25.093 -12.394 0.900 1.00 0.00 N ATOM 0 H LYS A 70 -21.758 -13.644 4.383 1.00 0.00 H new ATOM 0 HA LYS A 70 -23.808 -13.136 6.442 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -24.880 -12.048 4.293 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -23.607 -11.218 5.165 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -23.388 -11.016 2.725 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -21.982 -11.741 3.477 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -22.483 -12.802 1.341 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -22.617 -13.949 2.659 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -24.445 -14.380 1.174 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -25.126 -13.632 2.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -26.045 -12.689 0.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -25.160 -11.512 1.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -24.500 -12.237 0.060 1.00 0.00 H new ATOM 1180 N THR A 71 -23.956 -15.694 4.741 1.00 0.00 N ATOM 1181 CA THR A 71 -24.711 -16.846 4.212 1.00 0.00 C ATOM 1182 C THR A 71 -24.560 -18.063 5.128 1.00 0.00 C ATOM 1183 O THR A 71 -25.554 -18.583 5.643 1.00 0.00 O ATOM 1184 CB THR A 71 -24.224 -17.228 2.790 1.00 0.00 C ATOM 1185 OG1 THR A 71 -23.221 -16.369 2.289 1.00 0.00 O ATOM 1186 CG2 THR A 71 -25.382 -17.187 1.794 1.00 0.00 C ATOM 0 H THR A 71 -22.977 -15.896 4.945 1.00 0.00 H new ATOM 0 HA THR A 71 -25.759 -16.550 4.167 1.00 0.00 H new ATOM 0 HB THR A 71 -23.812 -18.232 2.892 1.00 0.00 H new ATOM 0 HG1 THR A 71 -22.411 -16.459 2.834 1.00 0.00 H new ATOM 0 HG21 THR A 71 -25.019 -17.458 0.803 1.00 0.00 H new ATOM 0 HG22 THR A 71 -26.153 -17.892 2.103 1.00 0.00 H new ATOM 0 HG23 THR A 71 -25.801 -16.181 1.764 1.00 0.00 H new ATOM 1194 N CYS A 72 -23.309 -18.511 5.338 1.00 0.00 N ATOM 1195 CA CYS A 72 -23.026 -19.668 6.201 1.00 0.00 C ATOM 1196 C CYS A 72 -22.424 -19.220 7.558 1.00 0.00 C ATOM 1197 O CYS A 72 -22.185 -20.048 8.441 1.00 0.00 O ATOM 1198 CB CYS A 72 -22.058 -20.617 5.490 1.00 0.00 C ATOM 1199 SG CYS A 72 -20.412 -19.891 5.423 1.00 0.00 S ATOM 0 H CYS A 72 -22.480 -18.088 4.921 1.00 0.00 H new ATOM 0 HA CYS A 72 -23.965 -20.184 6.401 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -22.021 -21.571 6.015 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -22.414 -20.822 4.481 1.00 0.00 H new ATOM 0 HG CYS A 72 -20.492 -18.674 4.973 1.00 0.00 H new ATOM 1204 N GLN A 73 -22.268 -17.888 7.736 1.00 0.00 N ATOM 1205 CA GLN A 73 -21.817 -17.299 9.017 1.00 0.00 C ATOM 1206 C GLN A 73 -20.410 -17.817 9.426 1.00 0.00 C ATOM 1207 O GLN A 73 -20.015 -17.702 10.592 1.00 0.00 O ATOM 1208 CB GLN A 73 -22.851 -17.602 10.139 1.00 0.00 C ATOM 1209 CG GLN A 73 -24.173 -16.817 9.982 1.00 0.00 C ATOM 1210 CD GLN A 73 -24.906 -17.064 8.664 1.00 0.00 C ATOM 1211 OE1 GLN A 73 -25.060 -16.175 7.843 1.00 0.00 O ATOM 1212 NE2 GLN A 73 -25.367 -18.274 8.407 1.00 0.00 N ATOM 0 H GLN A 73 -22.449 -17.199 7.006 1.00 0.00 H new ATOM 0 HA GLN A 73 -21.742 -16.220 8.878 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -23.069 -18.670 10.143 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -22.408 -17.363 11.106 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -24.836 -17.079 10.806 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -23.961 -15.752 10.070 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -25.242 -19.023 9.088 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -25.848 -18.460 7.527 1.00 0.00 H new ATOM 1221 N ARG A 74 -19.629 -18.295 8.439 1.00 0.00 N ATOM 1222 CA ARG A 74 -18.245 -18.709 8.680 1.00 0.00 C ATOM 1223 C ARG A 74 -17.340 -17.491 8.826 1.00 0.00 C ATOM 1224 O ARG A 74 -17.457 -16.526 8.070 1.00 0.00 O ATOM 1225 CB ARG A 74 -17.746 -19.593 7.519 1.00 0.00 C ATOM 1226 CG ARG A 74 -16.334 -20.129 7.809 1.00 0.00 C ATOM 1227 CD ARG A 74 -15.905 -21.234 6.839 1.00 0.00 C ATOM 1228 NE ARG A 74 -14.476 -21.547 7.031 1.00 0.00 N ATOM 1229 CZ ARG A 74 -13.952 -22.478 7.821 1.00 0.00 C ATOM 1230 NH1 ARG A 74 -14.688 -23.350 8.476 1.00 0.00 N ATOM 1231 NH2 ARG A 74 -12.648 -22.544 7.975 1.00 0.00 N ATOM 0 H ARG A 74 -19.937 -18.402 7.472 1.00 0.00 H new ATOM 0 HA ARG A 74 -18.214 -19.282 9.606 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -18.433 -20.426 7.369 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -17.738 -19.016 6.594 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -15.620 -19.307 7.754 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -16.299 -20.514 8.828 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -16.507 -22.128 7.004 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -16.081 -20.916 5.811 1.00 0.00 H new ATOM 0 HE ARG A 74 -13.815 -20.984 6.496 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -15.704 -23.328 8.388 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -14.243 -24.048 9.072 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -12.043 -21.882 7.489 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -12.241 -23.257 8.581 1.00 0.00 H new ATOM 1245 N LYS A 75 -16.482 -17.512 9.852 1.00 0.00 N ATOM 1246 CA LYS A 75 -15.634 -16.366 10.168 1.00 0.00 C ATOM 1247 C LYS A 75 -14.228 -16.520 9.559 1.00 0.00 C ATOM 1248 O LYS A 75 -13.683 -17.623 9.482 1.00 0.00 O ATOM 1249 CB LYS A 75 -15.527 -16.206 11.696 1.00 0.00 C ATOM 1250 CG LYS A 75 -16.612 -15.249 12.204 1.00 0.00 C ATOM 1251 CD LYS A 75 -16.471 -14.966 13.705 1.00 0.00 C ATOM 1252 CE LYS A 75 -17.348 -13.791 14.158 1.00 0.00 C ATOM 1253 NZ LYS A 75 -16.899 -12.513 13.565 1.00 0.00 N ATOM 0 H LYS A 75 -16.359 -18.311 10.475 1.00 0.00 H new ATOM 0 HA LYS A 75 -16.092 -15.477 9.735 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -15.633 -17.177 12.179 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -14.541 -15.824 11.961 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -16.556 -14.311 11.651 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -17.595 -15.677 12.006 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -16.743 -15.859 14.268 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -15.428 -14.749 13.936 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -18.384 -13.980 13.875 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -17.323 -13.716 15.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -16.754 -11.812 14.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -16.005 -12.662 13.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -17.622 -12.165 12.903 1.00 0.00 H new ATOM 1267 N PHE A 76 -13.635 -15.380 9.194 1.00 0.00 N ATOM 1268 CA PHE A 76 -12.281 -15.315 8.652 1.00 0.00 C ATOM 1269 C PHE A 76 -11.552 -14.054 9.173 1.00 0.00 C ATOM 1270 O PHE A 76 -12.190 -13.093 9.636 1.00 0.00 O ATOM 1271 CB PHE A 76 -12.336 -15.271 7.111 1.00 0.00 C ATOM 1272 CG PHE A 76 -13.128 -16.374 6.439 1.00 0.00 C ATOM 1273 CD1 PHE A 76 -12.501 -17.586 6.090 1.00 0.00 C ATOM 1274 CD2 PHE A 76 -14.498 -16.187 6.165 1.00 0.00 C ATOM 1275 CE1 PHE A 76 -13.245 -18.611 5.477 1.00 0.00 C ATOM 1276 CE2 PHE A 76 -15.244 -17.219 5.572 1.00 0.00 C ATOM 1277 CZ PHE A 76 -14.613 -18.427 5.226 1.00 0.00 C ATOM 0 H PHE A 76 -14.088 -14.469 9.268 1.00 0.00 H new ATOM 0 HA PHE A 76 -11.735 -16.202 8.975 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -12.760 -14.313 6.810 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.315 -15.301 6.731 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -11.450 -17.729 6.293 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -14.974 -15.250 6.411 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -12.764 -19.537 5.200 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -16.299 -17.085 5.382 1.00 0.00 H new ATOM 0 HZ PHE A 76 -15.185 -19.218 4.764 1.00 0.00 H new ATOM 1287 N SER A 77 -10.215 -14.060 9.070 1.00 0.00 N ATOM 1288 CA SER A 77 -9.389 -12.942 9.556 1.00 0.00 C ATOM 1289 C SER A 77 -9.018 -11.974 8.415 1.00 0.00 C ATOM 1290 O SER A 77 -8.347 -10.969 8.647 1.00 0.00 O ATOM 1291 CB SER A 77 -8.098 -13.485 10.193 1.00 0.00 C ATOM 1292 OG SER A 77 -8.342 -14.340 11.287 1.00 0.00 O ATOM 0 H SER A 77 -9.682 -14.825 8.655 1.00 0.00 H new ATOM 0 HA SER A 77 -9.974 -12.396 10.296 1.00 0.00 H new ATOM 0 HB2 SER A 77 -7.526 -14.024 9.438 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.482 -12.648 10.523 1.00 0.00 H new ATOM 0 HG SER A 77 -8.582 -13.806 12.073 1.00 0.00 H new ATOM 1298 N ARG A 78 -9.445 -12.295 7.180 1.00 0.00 N ATOM 1299 CA ARG A 78 -9.084 -11.499 5.993 1.00 0.00 C ATOM 1300 C ARG A 78 -10.296 -11.300 5.074 1.00 0.00 C ATOM 1301 O ARG A 78 -11.014 -12.253 4.760 1.00 0.00 O ATOM 1302 CB ARG A 78 -7.955 -12.207 5.218 1.00 0.00 C ATOM 1303 CG ARG A 78 -6.571 -11.836 5.779 1.00 0.00 C ATOM 1304 CD ARG A 78 -5.440 -12.747 5.291 1.00 0.00 C ATOM 1305 NE ARG A 78 -5.184 -12.635 3.845 1.00 0.00 N ATOM 1306 CZ ARG A 78 -4.045 -12.920 3.220 1.00 0.00 C ATOM 1307 NH1 ARG A 78 -2.965 -13.273 3.879 1.00 0.00 N ATOM 1308 NH2 ARG A 78 -3.995 -12.856 1.910 1.00 0.00 N ATOM 0 H ARG A 78 -10.040 -13.099 6.978 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.743 -10.519 6.327 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -8.095 -13.287 5.274 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.008 -11.933 4.164 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -6.341 -10.807 5.502 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.609 -11.872 6.868 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.527 -12.504 5.834 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.687 -13.781 5.530 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.956 -12.306 3.266 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.986 -13.334 4.897 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.105 -13.486 3.373 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -4.825 -12.590 1.380 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -3.126 -13.073 1.422 1.00 0.00 H new ATOM 1322 N SER A 79 -10.481 -10.058 4.607 1.00 0.00 N ATOM 1323 CA SER A 79 -11.573 -9.722 3.679 1.00 0.00 C ATOM 1324 C SER A 79 -11.404 -10.466 2.344 1.00 0.00 C ATOM 1325 O SER A 79 -12.367 -10.988 1.793 1.00 0.00 O ATOM 1326 CB SER A 79 -11.594 -8.209 3.424 1.00 0.00 C ATOM 1327 OG SER A 79 -12.717 -7.838 2.655 1.00 0.00 O ATOM 0 H SER A 79 -9.888 -9.267 4.856 1.00 0.00 H new ATOM 0 HA SER A 79 -12.515 -10.030 4.133 1.00 0.00 H new ATOM 0 HB2 SER A 79 -11.609 -7.677 4.375 1.00 0.00 H new ATOM 0 HB3 SER A 79 -10.681 -7.912 2.907 1.00 0.00 H new ATOM 0 HG SER A 79 -12.707 -6.869 2.508 1.00 0.00 H new ATOM 1333 N ASP A 80 -10.163 -10.510 1.838 1.00 0.00 N ATOM 1334 CA ASP A 80 -9.860 -11.187 0.571 1.00 0.00 C ATOM 1335 C ASP A 80 -10.243 -12.702 0.640 1.00 0.00 C ATOM 1336 O ASP A 80 -10.875 -13.230 -0.283 1.00 0.00 O ATOM 1337 CB ASP A 80 -8.369 -11.019 0.232 1.00 0.00 C ATOM 1338 CG ASP A 80 -7.397 -11.411 1.340 1.00 0.00 C ATOM 1339 OD1 ASP A 80 -7.216 -10.579 2.256 1.00 0.00 O ATOM 1340 OD2 ASP A 80 -6.848 -12.532 1.269 1.00 0.00 O ATOM 0 H ASP A 80 -9.353 -10.084 2.288 1.00 0.00 H new ATOM 0 HA ASP A 80 -10.456 -10.729 -0.219 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -8.145 -11.616 -0.652 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -8.190 -9.977 -0.033 1.00 0.00 H new ATOM 1345 N HIS A 81 -9.933 -13.364 1.779 1.00 0.00 N ATOM 1346 CA HIS A 81 -10.373 -14.756 2.019 1.00 0.00 C ATOM 1347 C HIS A 81 -11.901 -14.845 2.066 1.00 0.00 C ATOM 1348 O HIS A 81 -12.482 -15.764 1.512 1.00 0.00 O ATOM 1349 CB HIS A 81 -9.805 -15.278 3.353 1.00 0.00 C ATOM 1350 CG HIS A 81 -8.336 -15.535 3.484 1.00 0.00 C ATOM 1351 ND1 HIS A 81 -7.373 -15.422 2.518 1.00 0.00 N ATOM 1352 CD2 HIS A 81 -7.717 -15.901 4.645 1.00 0.00 C ATOM 1353 CE1 HIS A 81 -6.199 -15.718 3.098 1.00 0.00 C ATOM 1354 NE2 HIS A 81 -6.352 -15.947 4.407 1.00 0.00 N ATOM 0 H HIS A 81 -9.385 -12.960 2.539 1.00 0.00 H new ATOM 0 HA HIS A 81 -10.001 -15.366 1.196 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -10.080 -14.561 4.127 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -10.320 -16.210 3.584 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -8.205 -16.117 5.584 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -5.255 -15.765 2.576 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -5.615 -16.120 5.090 1.00 0.00 H new ATOM 1362 N LEU A 82 -12.543 -13.905 2.779 1.00 0.00 N ATOM 1363 CA LEU A 82 -14.004 -13.923 2.934 1.00 0.00 C ATOM 1364 C LEU A 82 -14.702 -13.746 1.572 1.00 0.00 C ATOM 1365 O LEU A 82 -15.625 -14.487 1.244 1.00 0.00 O ATOM 1366 CB LEU A 82 -14.451 -12.815 3.905 1.00 0.00 C ATOM 1367 CG LEU A 82 -15.973 -12.905 4.165 1.00 0.00 C ATOM 1368 CD1 LEU A 82 -16.332 -12.621 5.620 1.00 0.00 C ATOM 1369 CD2 LEU A 82 -16.790 -11.928 3.306 1.00 0.00 C ATOM 0 H LEU A 82 -12.077 -13.131 3.252 1.00 0.00 H new ATOM 0 HA LEU A 82 -14.291 -14.891 3.344 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -13.909 -12.908 4.846 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -14.204 -11.838 3.490 1.00 0.00 H new ATOM 0 HG LEU A 82 -16.226 -13.932 3.901 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -17.412 -12.697 5.750 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -15.837 -13.347 6.265 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -16.004 -11.616 5.886 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -17.850 -12.040 3.535 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -16.478 -10.906 3.521 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -16.622 -12.144 2.251 1.00 0.00 H new ATOM 1381 N LYS A 83 -14.226 -12.780 0.769 1.00 0.00 N ATOM 1382 CA LYS A 83 -14.746 -12.563 -0.601 1.00 0.00 C ATOM 1383 C LYS A 83 -14.491 -13.797 -1.481 1.00 0.00 C ATOM 1384 O LYS A 83 -15.314 -14.155 -2.317 1.00 0.00 O ATOM 1385 CB LYS A 83 -14.061 -11.335 -1.226 1.00 0.00 C ATOM 1386 CG LYS A 83 -14.661 -10.893 -2.573 1.00 0.00 C ATOM 1387 CD LYS A 83 -13.675 -10.137 -3.480 1.00 0.00 C ATOM 1388 CE LYS A 83 -13.196 -8.797 -2.913 1.00 0.00 C ATOM 1389 NZ LYS A 83 -12.141 -8.960 -1.892 1.00 0.00 N ATOM 0 H LYS A 83 -13.483 -12.135 1.040 1.00 0.00 H new ATOM 0 HA LYS A 83 -15.821 -12.394 -0.541 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -14.121 -10.503 -0.524 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -13.003 -11.556 -1.368 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -15.025 -11.773 -3.103 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -15.525 -10.256 -2.383 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -12.808 -10.772 -3.662 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -14.150 -9.961 -4.445 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -12.818 -8.177 -3.726 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -14.042 -8.268 -2.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.504 -8.138 -1.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -12.577 -9.033 -0.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -11.598 -9.824 -2.089 1.00 0.00 H new ATOM 1403 N THR A 84 -13.354 -14.453 -1.263 1.00 0.00 N ATOM 1404 CA THR A 84 -13.017 -15.676 -1.990 1.00 0.00 C ATOM 1405 C THR A 84 -13.970 -16.821 -1.589 1.00 0.00 C ATOM 1406 O THR A 84 -14.685 -17.363 -2.433 1.00 0.00 O ATOM 1407 CB THR A 84 -11.567 -16.093 -1.672 1.00 0.00 C ATOM 1408 OG1 THR A 84 -10.695 -15.072 -2.108 1.00 0.00 O ATOM 1409 CG2 THR A 84 -11.032 -17.415 -2.191 1.00 0.00 C ATOM 0 H THR A 84 -12.649 -14.158 -0.588 1.00 0.00 H new ATOM 0 HA THR A 84 -13.119 -15.481 -3.058 1.00 0.00 H new ATOM 0 HB THR A 84 -11.605 -16.247 -0.594 1.00 0.00 H new ATOM 0 HG1 THR A 84 -10.923 -14.232 -1.658 1.00 0.00 H new ATOM 0 HG21 THR A 84 -9.998 -17.540 -1.870 1.00 0.00 H new ATOM 0 HG22 THR A 84 -11.636 -18.232 -1.796 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.078 -17.424 -3.280 1.00 0.00 H new ATOM 1417 N HIS A 85 -14.127 -17.019 -0.273 1.00 0.00 N ATOM 1418 CA HIS A 85 -15.057 -18.015 0.266 1.00 0.00 C ATOM 1419 C HIS A 85 -16.504 -17.696 -0.143 1.00 0.00 C ATOM 1420 O HIS A 85 -17.287 -18.599 -0.422 1.00 0.00 O ATOM 1421 CB HIS A 85 -14.945 -18.045 1.801 1.00 0.00 C ATOM 1422 CG HIS A 85 -16.212 -18.505 2.463 1.00 0.00 C ATOM 1423 ND1 HIS A 85 -16.708 -19.792 2.491 1.00 0.00 N ATOM 1424 CD2 HIS A 85 -17.191 -17.655 2.898 1.00 0.00 C ATOM 1425 CE1 HIS A 85 -17.990 -19.710 2.895 1.00 0.00 C ATOM 1426 NE2 HIS A 85 -18.308 -18.432 3.153 1.00 0.00 N ATOM 0 H HIS A 85 -13.617 -16.498 0.440 1.00 0.00 H new ATOM 0 HA HIS A 85 -14.794 -18.991 -0.142 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -14.128 -18.706 2.089 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -14.691 -17.049 2.163 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -17.109 -16.585 3.019 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -18.663 -20.549 2.996 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -19.213 -18.093 3.479 1.00 0.00 H new ATOM 1434 N THR A 86 -16.815 -16.402 -0.258 1.00 0.00 N ATOM 1435 CA THR A 86 -18.153 -15.936 -0.650 1.00 0.00 C ATOM 1436 C THR A 86 -18.586 -16.587 -1.965 1.00 0.00 C ATOM 1437 O THR A 86 -19.743 -17.006 -2.110 1.00 0.00 O ATOM 1438 CB THR A 86 -18.178 -14.406 -0.811 1.00 0.00 C ATOM 1439 OG1 THR A 86 -17.943 -13.806 0.440 1.00 0.00 O ATOM 1440 CG2 THR A 86 -19.480 -13.788 -1.299 1.00 0.00 C ATOM 0 H THR A 86 -16.151 -15.648 -0.083 1.00 0.00 H new ATOM 0 HA THR A 86 -18.846 -16.222 0.141 1.00 0.00 H new ATOM 0 HB THR A 86 -17.418 -14.223 -1.571 1.00 0.00 H new ATOM 0 HG1 THR A 86 -16.982 -13.814 0.631 1.00 0.00 H new ATOM 0 HG21 THR A 86 -19.365 -12.706 -1.369 1.00 0.00 H new ATOM 0 HG22 THR A 86 -19.729 -14.191 -2.281 1.00 0.00 H new ATOM 0 HG23 THR A 86 -20.280 -14.023 -0.597 1.00 0.00 H new ATOM 1448 N ARG A 87 -17.638 -16.710 -2.916 1.00 0.00 N ATOM 1449 CA ARG A 87 -17.943 -17.231 -4.257 1.00 0.00 C ATOM 1450 C ARG A 87 -18.466 -18.679 -4.172 1.00 0.00 C ATOM 1451 O ARG A 87 -19.164 -19.140 -5.069 1.00 0.00 O ATOM 1452 CB ARG A 87 -16.672 -17.178 -5.143 1.00 0.00 C ATOM 1453 CG ARG A 87 -15.761 -18.424 -5.127 1.00 0.00 C ATOM 1454 CD ARG A 87 -16.245 -19.519 -6.089 1.00 0.00 C ATOM 1455 NE ARG A 87 -16.262 -20.857 -5.468 1.00 0.00 N ATOM 1456 CZ ARG A 87 -16.828 -21.947 -5.985 1.00 0.00 C ATOM 1457 NH1 ARG A 87 -17.281 -22.001 -7.215 1.00 0.00 N ATOM 1458 NH2 ARG A 87 -16.974 -23.031 -5.261 1.00 0.00 N ATOM 0 H ARG A 87 -16.660 -16.456 -2.778 1.00 0.00 H new ATOM 0 HA ARG A 87 -18.719 -16.610 -4.703 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -16.982 -16.997 -6.172 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -16.078 -16.318 -4.834 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -14.746 -18.131 -5.396 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -15.719 -18.827 -4.115 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -17.248 -19.273 -6.438 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -15.598 -19.538 -6.966 1.00 0.00 H new ATOM 0 HE ARG A 87 -15.800 -20.957 -4.564 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -17.208 -21.184 -7.822 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -17.706 -22.860 -7.565 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -16.653 -23.045 -4.293 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -17.409 -23.860 -5.666 1.00 0.00 H new ATOM 1472 N THR A 88 -18.135 -19.379 -3.072 1.00 0.00 N ATOM 1473 CA THR A 88 -18.598 -20.762 -2.841 1.00 0.00 C ATOM 1474 C THR A 88 -20.123 -20.859 -2.937 1.00 0.00 C ATOM 1475 O THR A 88 -20.651 -21.814 -3.501 1.00 0.00 O ATOM 1476 CB THR A 88 -18.170 -21.253 -1.442 1.00 0.00 C ATOM 1477 OG1 THR A 88 -16.811 -20.972 -1.224 1.00 0.00 O ATOM 1478 CG2 THR A 88 -18.382 -22.737 -1.174 1.00 0.00 C ATOM 0 H THR A 88 -17.546 -19.009 -2.326 1.00 0.00 H new ATOM 0 HA THR A 88 -18.144 -21.384 -3.612 1.00 0.00 H new ATOM 0 HB THR A 88 -18.824 -20.711 -0.759 1.00 0.00 H new ATOM 0 HG1 THR A 88 -16.726 -20.129 -0.731 1.00 0.00 H new ATOM 0 HG21 THR A 88 -18.049 -22.976 -0.164 1.00 0.00 H new ATOM 0 HG22 THR A 88 -19.441 -22.977 -1.273 1.00 0.00 H new ATOM 0 HG23 THR A 88 -17.809 -23.322 -1.893 1.00 0.00 H new ATOM 1486 N HIS A 89 -20.831 -19.840 -2.422 1.00 0.00 N ATOM 1487 CA HIS A 89 -22.303 -19.812 -2.492 1.00 0.00 C ATOM 1488 C HIS A 89 -22.773 -19.385 -3.895 1.00 0.00 C ATOM 1489 O HIS A 89 -23.905 -19.655 -4.287 1.00 0.00 O ATOM 1490 CB HIS A 89 -22.862 -18.840 -1.443 1.00 0.00 C ATOM 1491 CG HIS A 89 -22.101 -18.782 -0.145 1.00 0.00 C ATOM 1492 ND1 HIS A 89 -21.133 -17.853 0.114 1.00 0.00 N ATOM 1493 CD2 HIS A 89 -22.270 -19.539 0.985 1.00 0.00 C ATOM 1494 CE1 HIS A 89 -20.755 -18.000 1.390 1.00 0.00 C ATOM 1495 NE2 HIS A 89 -21.420 -19.019 1.970 1.00 0.00 N ATOM 0 H HIS A 89 -20.415 -19.033 -1.958 1.00 0.00 H new ATOM 0 HA HIS A 89 -22.674 -20.816 -2.289 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -22.886 -17.840 -1.876 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -23.894 -19.119 -1.228 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -20.764 -17.169 -0.547 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -22.936 -20.382 1.096 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -20.018 -17.386 1.887 1.00 0.00 H new ATOM 1503 N THR A 90 -21.894 -18.691 -4.628 1.00 0.00 N ATOM 1504 CA THR A 90 -22.228 -18.139 -5.948 1.00 0.00 C ATOM 1505 C THR A 90 -21.873 -19.130 -7.082 1.00 0.00 C ATOM 1506 O THR A 90 -22.213 -18.901 -8.239 1.00 0.00 O ATOM 1507 CB THR A 90 -21.438 -16.829 -6.178 1.00 0.00 C ATOM 1508 OG1 THR A 90 -21.579 -15.986 -5.056 1.00 0.00 O ATOM 1509 CG2 THR A 90 -21.804 -15.982 -7.385 1.00 0.00 C ATOM 0 H THR A 90 -20.939 -18.497 -4.327 1.00 0.00 H new ATOM 0 HA THR A 90 -23.302 -17.951 -5.967 1.00 0.00 H new ATOM 0 HB THR A 90 -20.427 -17.195 -6.356 1.00 0.00 H new ATOM 0 HG1 THR A 90 -21.076 -15.158 -5.204 1.00 0.00 H new ATOM 0 HG21 THR A 90 -21.167 -15.098 -7.415 1.00 0.00 H new ATOM 0 HG22 THR A 90 -21.660 -16.564 -8.295 1.00 0.00 H new ATOM 0 HG23 THR A 90 -22.847 -15.675 -7.311 1.00 0.00 H new ATOM 1517 N GLY A 91 -21.214 -20.251 -6.725 1.00 0.00 N ATOM 1518 CA GLY A 91 -20.795 -21.254 -7.726 1.00 0.00 C ATOM 1519 C GLY A 91 -19.895 -20.651 -8.831 1.00 0.00 C ATOM 1520 O GLY A 91 -19.808 -21.192 -9.931 1.00 0.00 O ATOM 0 H GLY A 91 -20.963 -20.483 -5.764 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -20.259 -22.060 -7.225 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -21.680 -21.696 -8.184 1.00 0.00 H new ATOM 1524 N GLU A 92 -19.267 -19.505 -8.534 1.00 0.00 N ATOM 1525 CA GLU A 92 -18.506 -18.748 -9.536 1.00 0.00 C ATOM 1526 C GLU A 92 -17.183 -19.459 -9.885 1.00 0.00 C ATOM 1527 O GLU A 92 -16.545 -20.052 -9.023 1.00 0.00 O ATOM 1528 CB GLU A 92 -18.208 -17.328 -9.000 1.00 0.00 C ATOM 1529 CG GLU A 92 -18.714 -16.206 -9.920 1.00 0.00 C ATOM 1530 CD GLU A 92 -17.837 -16.032 -11.162 1.00 0.00 C ATOM 1531 OE1 GLU A 92 -17.904 -16.922 -12.042 1.00 0.00 O ATOM 1532 OE2 GLU A 92 -17.075 -15.043 -11.196 1.00 0.00 O ATOM 0 H GLU A 92 -19.271 -19.082 -7.606 1.00 0.00 H new ATOM 0 HA GLU A 92 -19.107 -18.682 -10.443 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -18.666 -17.216 -8.017 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -17.132 -17.218 -8.864 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -19.736 -16.425 -10.228 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -18.743 -15.269 -9.364 1.00 0.00 H new ATOM 1539 N LYS A 93 -16.727 -19.275 -11.133 1.00 0.00 N ATOM 1540 CA LYS A 93 -15.388 -19.739 -11.558 1.00 0.00 C ATOM 1541 C LYS A 93 -14.887 -18.899 -12.753 1.00 0.00 C ATOM 1542 O LYS A 93 -15.007 -19.314 -13.906 1.00 0.00 O ATOM 1543 CB LYS A 93 -15.431 -21.239 -11.957 1.00 0.00 C ATOM 1544 CG LYS A 93 -15.697 -22.233 -10.811 1.00 0.00 C ATOM 1545 CD LYS A 93 -15.258 -23.668 -11.123 1.00 0.00 C ATOM 1546 CE LYS A 93 -15.910 -24.237 -12.385 1.00 0.00 C ATOM 1547 NZ LYS A 93 -15.243 -25.486 -12.799 1.00 0.00 N ATOM 0 H LYS A 93 -17.260 -18.810 -11.868 1.00 0.00 H new ATOM 0 HA LYS A 93 -14.702 -19.617 -10.720 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -16.204 -21.372 -12.714 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -14.481 -21.498 -12.424 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -15.177 -21.890 -9.917 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -16.762 -22.231 -10.580 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -14.174 -23.692 -11.239 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -15.502 -24.308 -10.275 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -16.967 -24.428 -12.200 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -15.854 -23.505 -13.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -15.711 -25.865 -13.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -14.244 -25.292 -13.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -15.303 -26.183 -12.030 1.00 0.00 H new ATOM 1561 N PRO A 94 -14.387 -17.673 -12.488 1.00 0.00 N ATOM 1562 CA PRO A 94 -14.022 -16.728 -13.543 1.00 0.00 C ATOM 1563 C PRO A 94 -12.660 -17.045 -14.196 1.00 0.00 C ATOM 1564 O PRO A 94 -12.380 -16.585 -15.302 1.00 0.00 O ATOM 1565 CB PRO A 94 -13.973 -15.378 -12.819 1.00 0.00 C ATOM 1566 CG PRO A 94 -13.593 -15.725 -11.380 1.00 0.00 C ATOM 1567 CD PRO A 94 -14.250 -17.084 -11.161 1.00 0.00 C ATOM 0 HA PRO A 94 -14.734 -16.759 -14.368 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -13.240 -14.711 -13.273 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -14.936 -14.870 -12.863 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -12.512 -15.775 -11.251 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -13.964 -14.981 -10.675 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -13.640 -17.714 -10.514 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -15.221 -16.976 -10.678 1.00 0.00 H new ATOM 1575 N PHE A 95 -11.810 -17.818 -13.500 1.00 0.00 N ATOM 1576 CA PHE A 95 -10.448 -18.096 -13.988 1.00 0.00 C ATOM 1577 C PHE A 95 -10.446 -19.263 -14.999 1.00 0.00 C ATOM 1578 O PHE A 95 -10.021 -20.369 -14.682 1.00 0.00 O ATOM 1579 CB PHE A 95 -9.522 -18.423 -12.812 1.00 0.00 C ATOM 1580 CG PHE A 95 -9.348 -17.277 -11.851 1.00 0.00 C ATOM 1581 CD1 PHE A 95 -8.479 -16.213 -12.158 1.00 0.00 C ATOM 1582 CD2 PHE A 95 -10.098 -17.260 -10.669 1.00 0.00 C ATOM 1583 CE1 PHE A 95 -8.362 -15.123 -11.276 1.00 0.00 C ATOM 1584 CE2 PHE A 95 -9.989 -16.162 -9.793 1.00 0.00 C ATOM 1585 CZ PHE A 95 -9.122 -15.097 -10.094 1.00 0.00 C ATOM 0 H PHE A 95 -12.037 -18.257 -12.608 1.00 0.00 H new ATOM 0 HA PHE A 95 -10.083 -17.203 -14.496 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -9.921 -19.282 -12.273 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.545 -18.715 -13.198 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -7.902 -16.233 -13.071 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -10.756 -18.083 -10.430 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -7.691 -14.309 -11.506 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -10.574 -16.138 -8.886 1.00 0.00 H new ATOM 0 HZ PHE A 95 -9.040 -14.259 -9.417 1.00 0.00 H new ATOM 1595 N SER A 96 -10.891 -18.983 -16.228 1.00 0.00 N ATOM 1596 CA SER A 96 -10.849 -19.972 -17.323 1.00 0.00 C ATOM 1597 C SER A 96 -9.441 -20.065 -17.913 1.00 0.00 C ATOM 1598 O SER A 96 -8.739 -19.058 -18.031 1.00 0.00 O ATOM 1599 CB SER A 96 -11.840 -19.570 -18.424 1.00 0.00 C ATOM 1600 OG SER A 96 -11.899 -20.493 -19.499 1.00 0.00 O ATOM 0 H SER A 96 -11.285 -18.081 -16.495 1.00 0.00 H new ATOM 0 HA SER A 96 -11.125 -20.946 -16.919 1.00 0.00 H new ATOM 0 HB2 SER A 96 -12.834 -19.469 -17.988 1.00 0.00 H new ATOM 0 HB3 SER A 96 -11.561 -18.590 -18.812 1.00 0.00 H new ATOM 0 HG SER A 96 -11.953 -21.405 -19.144 1.00 0.00 H new ATOM 1606 N CYS A 97 -9.051 -21.280 -18.319 1.00 0.00 N ATOM 1607 CA CYS A 97 -7.722 -21.506 -18.899 1.00 0.00 C ATOM 1608 C CYS A 97 -7.622 -20.863 -20.284 1.00 0.00 C ATOM 1609 O CYS A 97 -8.633 -20.648 -20.962 1.00 0.00 O ATOM 1610 CB CYS A 97 -7.439 -23.017 -19.009 1.00 0.00 C ATOM 1611 SG CYS A 97 -5.759 -23.357 -19.571 1.00 0.00 S ATOM 0 H CYS A 97 -9.632 -22.116 -18.257 1.00 0.00 H new ATOM 0 HA CYS A 97 -6.981 -21.048 -18.243 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -7.597 -23.486 -18.038 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -8.150 -23.469 -19.701 1.00 0.00 H new ATOM 0 HG CYS A 97 -5.544 -24.639 -19.546 1.00 0.00 H new ATOM 1616 N ARG A 98 -6.396 -20.481 -20.657 1.00 0.00 N ATOM 1617 CA ARG A 98 -6.140 -19.734 -21.895 1.00 0.00 C ATOM 1618 C ARG A 98 -5.229 -20.532 -22.840 1.00 0.00 C ATOM 1619 O ARG A 98 -4.787 -20.016 -23.866 1.00 0.00 O ATOM 1620 CB ARG A 98 -5.477 -18.381 -21.557 1.00 0.00 C ATOM 1621 CG ARG A 98 -6.244 -17.452 -20.590 1.00 0.00 C ATOM 1622 CD ARG A 98 -7.527 -16.833 -21.169 1.00 0.00 C ATOM 1623 NE ARG A 98 -8.615 -17.814 -21.246 1.00 0.00 N ATOM 1624 CZ ARG A 98 -9.829 -17.666 -21.752 1.00 0.00 C ATOM 1625 NH1 ARG A 98 -10.256 -16.532 -22.265 1.00 0.00 N ATOM 1626 NH2 ARG A 98 -10.637 -18.696 -21.750 1.00 0.00 N ATOM 0 H ARG A 98 -5.556 -20.679 -20.113 1.00 0.00 H new ATOM 0 HA ARG A 98 -7.092 -19.563 -22.397 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -4.495 -18.582 -21.128 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -5.313 -17.840 -22.489 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -6.503 -18.017 -19.695 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -5.578 -16.647 -20.278 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -7.838 -15.993 -20.548 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -7.323 -16.437 -22.164 1.00 0.00 H new ATOM 0 HE ARG A 98 -8.408 -18.734 -20.857 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -9.642 -15.718 -22.284 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -11.201 -16.467 -22.643 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -10.326 -19.587 -21.364 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -11.578 -18.607 -22.134 1.00 0.00 H new ATOM 1640 N TRP A 99 -4.943 -21.789 -22.478 1.00 0.00 N ATOM 1641 CA TRP A 99 -4.095 -22.651 -23.293 1.00 0.00 C ATOM 1642 C TRP A 99 -4.774 -22.959 -24.648 1.00 0.00 C ATOM 1643 O TRP A 99 -6.001 -23.012 -24.738 1.00 0.00 O ATOM 1644 CB TRP A 99 -3.805 -23.957 -22.539 1.00 0.00 C ATOM 1645 CG TRP A 99 -2.629 -23.833 -21.614 1.00 0.00 C ATOM 1646 CD1 TRP A 99 -2.597 -23.066 -20.503 1.00 0.00 C ATOM 1647 CD2 TRP A 99 -1.288 -24.401 -21.739 1.00 0.00 C ATOM 1648 NE1 TRP A 99 -1.354 -23.142 -19.911 1.00 0.00 N ATOM 1649 CE2 TRP A 99 -0.498 -23.939 -20.641 1.00 0.00 C ATOM 1650 CE3 TRP A 99 -0.649 -25.246 -22.675 1.00 0.00 C ATOM 1651 CZ2 TRP A 99 0.848 -24.300 -20.474 1.00 0.00 C ATOM 1652 CZ3 TRP A 99 0.704 -25.609 -22.522 1.00 0.00 C ATOM 1653 CH2 TRP A 99 1.450 -25.143 -21.424 1.00 0.00 C ATOM 0 H TRP A 99 -5.289 -22.227 -21.624 1.00 0.00 H new ATOM 0 HA TRP A 99 -3.156 -22.133 -23.489 1.00 0.00 H new ATOM 0 HB2 TRP A 99 -4.686 -24.246 -21.966 1.00 0.00 H new ATOM 0 HB3 TRP A 99 -3.616 -24.754 -23.258 1.00 0.00 H new ATOM 0 HD1 TRP A 99 -3.424 -22.479 -20.132 1.00 0.00 H new ATOM 0 HE1 TRP A 99 -1.100 -22.669 -19.044 1.00 0.00 H new ATOM 0 HE3 TRP A 99 -1.207 -25.619 -23.521 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 1.413 -23.936 -19.628 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 1.172 -26.250 -23.254 1.00 0.00 H new ATOM 0 HH2 TRP A 99 2.484 -25.433 -21.311 1.00 0.00 H new ATOM 1664 N PRO A 100 -3.967 -23.179 -25.714 1.00 0.00 N ATOM 1665 CA PRO A 100 -4.483 -23.376 -27.083 1.00 0.00 C ATOM 1666 C PRO A 100 -5.163 -24.757 -27.282 1.00 0.00 C ATOM 1667 O PRO A 100 -5.236 -25.268 -28.401 1.00 0.00 O ATOM 1668 CB PRO A 100 -3.223 -23.252 -27.961 1.00 0.00 C ATOM 1669 CG PRO A 100 -2.086 -23.710 -27.046 1.00 0.00 C ATOM 1670 CD PRO A 100 -2.511 -23.165 -25.686 1.00 0.00 C ATOM 0 HA PRO A 100 -5.262 -22.654 -27.328 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -3.294 -23.876 -28.852 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -3.073 -22.227 -28.301 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -1.987 -24.795 -27.035 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -1.124 -23.306 -27.362 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -2.126 -23.783 -24.875 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -2.129 -22.157 -25.528 1.00 0.00 H new ATOM 1678 N SER A 101 -5.656 -25.345 -26.188 1.00 0.00 N ATOM 1679 CA SER A 101 -6.378 -26.625 -26.242 1.00 0.00 C ATOM 1680 C SER A 101 -7.179 -26.862 -24.941 1.00 0.00 C ATOM 1681 O SER A 101 -7.513 -28.001 -24.614 1.00 0.00 O ATOM 1682 CB SER A 101 -5.382 -27.781 -26.452 1.00 0.00 C ATOM 1683 OG SER A 101 -4.829 -27.721 -27.753 1.00 0.00 O ATOM 0 H SER A 101 -5.569 -24.955 -25.249 1.00 0.00 H new ATOM 0 HA SER A 101 -7.076 -26.587 -27.078 1.00 0.00 H new ATOM 0 HB2 SER A 101 -4.587 -27.725 -25.708 1.00 0.00 H new ATOM 0 HB3 SER A 101 -5.887 -28.736 -26.308 1.00 0.00 H new ATOM 0 HG SER A 101 -5.232 -26.976 -28.246 1.00 0.00 H new ATOM 1689 N CYS A 102 -7.474 -25.773 -24.203 1.00 0.00 N ATOM 1690 CA CYS A 102 -8.187 -25.870 -22.928 1.00 0.00 C ATOM 1691 C CYS A 102 -9.059 -24.622 -22.679 1.00 0.00 C ATOM 1692 O CYS A 102 -9.000 -23.643 -23.424 1.00 0.00 O ATOM 1693 CB CYS A 102 -7.177 -26.027 -21.783 1.00 0.00 C ATOM 1694 SG CYS A 102 -8.019 -26.487 -20.241 1.00 0.00 S ATOM 0 H CYS A 102 -7.227 -24.821 -24.473 1.00 0.00 H new ATOM 0 HA CYS A 102 -8.841 -26.741 -22.969 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -6.441 -26.788 -22.042 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -6.633 -25.093 -21.641 1.00 0.00 H new ATOM 0 HG CYS A 102 -7.240 -26.238 -19.230 1.00 0.00 H new ATOM 1699 N GLN A 103 -9.845 -24.679 -21.602 1.00 0.00 N ATOM 1700 CA GLN A 103 -10.662 -23.548 -21.149 1.00 0.00 C ATOM 1701 C GLN A 103 -11.144 -23.770 -19.689 1.00 0.00 C ATOM 1702 O GLN A 103 -12.058 -23.081 -19.216 1.00 0.00 O ATOM 1703 CB GLN A 103 -11.885 -23.374 -22.085 1.00 0.00 C ATOM 1704 CG GLN A 103 -12.755 -24.625 -22.332 1.00 0.00 C ATOM 1705 CD GLN A 103 -13.556 -25.082 -21.117 1.00 0.00 C ATOM 1706 OE1 GLN A 103 -13.246 -26.069 -20.466 1.00 0.00 O ATOM 1707 NE2 GLN A 103 -14.620 -24.384 -20.765 1.00 0.00 N ATOM 0 H GLN A 103 -9.934 -25.510 -21.018 1.00 0.00 H new ATOM 0 HA GLN A 103 -10.051 -22.646 -21.180 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -12.522 -22.593 -21.670 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -11.527 -23.014 -23.049 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -13.445 -24.418 -23.150 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -12.111 -25.443 -22.657 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -14.888 -23.558 -21.301 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -15.173 -24.670 -19.957 1.00 0.00 H new ATOM 1716 N LYS A 104 -10.533 -24.758 -18.990 1.00 0.00 N ATOM 1717 CA LYS A 104 -11.014 -25.205 -17.669 1.00 0.00 C ATOM 1718 C LYS A 104 -11.133 -24.026 -16.713 1.00 0.00 C ATOM 1719 O LYS A 104 -10.231 -23.197 -16.621 1.00 0.00 O ATOM 1720 CB LYS A 104 -10.054 -26.261 -17.080 1.00 0.00 C ATOM 1721 CG LYS A 104 -10.565 -27.716 -17.148 1.00 0.00 C ATOM 1722 CD LYS A 104 -10.240 -28.478 -18.440 1.00 0.00 C ATOM 1723 CE LYS A 104 -11.053 -28.005 -19.648 1.00 0.00 C ATOM 1724 NZ LYS A 104 -10.431 -28.448 -20.911 1.00 0.00 N ATOM 0 H LYS A 104 -9.708 -25.257 -19.323 1.00 0.00 H new ATOM 0 HA LYS A 104 -12.000 -25.651 -17.798 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -9.103 -26.201 -17.609 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -9.856 -26.009 -16.038 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -10.145 -28.268 -16.307 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -11.647 -27.708 -17.016 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -9.178 -28.367 -18.661 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -10.424 -29.541 -18.282 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -12.069 -28.395 -19.582 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -11.128 -26.918 -19.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -11.060 -28.219 -21.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -9.520 -27.962 -21.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -10.274 -29.476 -20.879 1.00 0.00 H new ATOM 1738 N LYS A 105 -12.287 -23.926 -16.049 1.00 0.00 N ATOM 1739 CA LYS A 105 -12.611 -22.761 -15.230 1.00 0.00 C ATOM 1740 C LYS A 105 -12.325 -23.030 -13.752 1.00 0.00 C ATOM 1741 O LYS A 105 -12.675 -24.087 -13.226 1.00 0.00 O ATOM 1742 CB LYS A 105 -14.096 -22.398 -15.409 1.00 0.00 C ATOM 1743 CG LYS A 105 -14.457 -22.029 -16.859 1.00 0.00 C ATOM 1744 CD LYS A 105 -15.945 -21.702 -17.061 1.00 0.00 C ATOM 1745 CE LYS A 105 -16.377 -20.448 -16.294 1.00 0.00 C ATOM 1746 NZ LYS A 105 -17.778 -20.088 -16.586 1.00 0.00 N ATOM 0 H LYS A 105 -13.013 -24.642 -16.064 1.00 0.00 H new ATOM 0 HA LYS A 105 -11.985 -21.930 -15.556 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -14.711 -23.240 -15.091 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -14.340 -21.560 -14.756 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -13.860 -21.170 -17.165 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -14.184 -22.856 -17.514 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -16.142 -21.560 -18.124 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -16.548 -22.550 -16.735 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -16.260 -20.617 -15.224 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -15.724 -19.616 -16.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -18.036 -19.235 -16.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -17.884 -19.903 -17.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -18.403 -20.872 -16.310 1.00 0.00 H new ATOM 1760 N PHE A 106 -11.731 -22.037 -13.080 1.00 0.00 N ATOM 1761 CA PHE A 106 -11.430 -22.124 -11.643 1.00 0.00 C ATOM 1762 C PHE A 106 -11.949 -20.903 -10.904 1.00 0.00 C ATOM 1763 O PHE A 106 -12.325 -19.905 -11.518 1.00 0.00 O ATOM 1764 CB PHE A 106 -9.915 -22.251 -11.433 1.00 0.00 C ATOM 1765 CG PHE A 106 -9.398 -23.539 -12.022 1.00 0.00 C ATOM 1766 CD1 PHE A 106 -9.568 -24.754 -11.332 1.00 0.00 C ATOM 1767 CD2 PHE A 106 -8.901 -23.536 -13.334 1.00 0.00 C ATOM 1768 CE1 PHE A 106 -9.265 -25.970 -11.969 1.00 0.00 C ATOM 1769 CE2 PHE A 106 -8.621 -24.749 -13.978 1.00 0.00 C ATOM 1770 CZ PHE A 106 -8.814 -25.966 -13.300 1.00 0.00 C ATOM 0 H PHE A 106 -11.447 -21.157 -13.511 1.00 0.00 H new ATOM 0 HA PHE A 106 -11.929 -23.007 -11.243 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -9.407 -21.405 -11.896 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -9.687 -22.216 -10.368 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -9.931 -24.752 -10.315 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -8.734 -22.600 -13.847 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -9.378 -26.903 -11.438 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -8.257 -24.749 -14.995 1.00 0.00 H new ATOM 0 HZ PHE A 106 -8.615 -26.900 -13.804 1.00 0.00 H new ATOM 1780 N ALA A 107 -11.971 -20.987 -9.573 1.00 0.00 N ATOM 1781 CA ALA A 107 -12.519 -19.927 -8.743 1.00 0.00 C ATOM 1782 C ALA A 107 -11.409 -19.058 -8.140 1.00 0.00 C ATOM 1783 O ALA A 107 -11.679 -17.986 -7.601 1.00 0.00 O ATOM 1784 CB ALA A 107 -13.352 -20.547 -7.622 1.00 0.00 C ATOM 0 H ALA A 107 -11.612 -21.785 -9.049 1.00 0.00 H new ATOM 0 HA ALA A 107 -13.144 -19.288 -9.368 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -13.766 -19.756 -6.996 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -14.165 -21.131 -8.053 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -12.720 -21.196 -7.016 1.00 0.00 H new ATOM 1790 N ARG A 108 -10.157 -19.525 -8.247 1.00 0.00 N ATOM 1791 CA ARG A 108 -9.006 -18.792 -7.726 1.00 0.00 C ATOM 1792 C ARG A 108 -7.906 -18.696 -8.783 1.00 0.00 C ATOM 1793 O ARG A 108 -7.669 -19.639 -9.546 1.00 0.00 O ATOM 1794 CB ARG A 108 -8.467 -19.493 -6.473 1.00 0.00 C ATOM 1795 CG ARG A 108 -9.450 -19.433 -5.282 1.00 0.00 C ATOM 1796 CD ARG A 108 -9.329 -20.650 -4.362 1.00 0.00 C ATOM 1797 NE ARG A 108 -7.942 -20.840 -3.925 1.00 0.00 N ATOM 1798 CZ ARG A 108 -7.405 -20.447 -2.781 1.00 0.00 C ATOM 1799 NH1 ARG A 108 -8.102 -19.965 -1.776 1.00 0.00 N ATOM 1800 NH2 ARG A 108 -6.109 -20.482 -2.669 1.00 0.00 N ATOM 0 H ARG A 108 -9.920 -20.411 -8.693 1.00 0.00 H new ATOM 0 HA ARG A 108 -9.325 -17.783 -7.466 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -8.253 -20.535 -6.709 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -7.523 -19.032 -6.182 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -9.264 -18.526 -4.706 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -10.470 -19.367 -5.660 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -9.974 -20.519 -3.493 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -9.675 -21.542 -4.885 1.00 0.00 H new ATOM 0 HE ARG A 108 -7.324 -21.328 -4.573 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -9.115 -19.877 -1.854 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -7.630 -19.679 -0.919 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -5.538 -20.806 -3.450 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -5.664 -20.186 -1.800 1.00 0.00 H new ATOM 1814 N SER A 109 -7.219 -17.559 -8.803 1.00 0.00 N ATOM 1815 CA SER A 109 -6.136 -17.329 -9.746 1.00 0.00 C ATOM 1816 C SER A 109 -5.030 -18.386 -9.572 1.00 0.00 C ATOM 1817 O SER A 109 -4.539 -18.939 -10.550 1.00 0.00 O ATOM 1818 CB SER A 109 -5.551 -15.915 -9.540 1.00 0.00 C ATOM 1819 OG SER A 109 -5.506 -15.555 -8.171 1.00 0.00 O ATOM 0 H SER A 109 -7.397 -16.778 -8.171 1.00 0.00 H new ATOM 0 HA SER A 109 -6.534 -17.409 -10.757 1.00 0.00 H new ATOM 0 HB2 SER A 109 -4.546 -15.874 -9.959 1.00 0.00 H new ATOM 0 HB3 SER A 109 -6.154 -15.190 -10.086 1.00 0.00 H new ATOM 0 HG SER A 109 -5.128 -14.655 -8.082 1.00 0.00 H new ATOM 1825 N ASP A 110 -4.706 -18.719 -8.312 1.00 0.00 N ATOM 1826 CA ASP A 110 -3.706 -19.759 -8.015 1.00 0.00 C ATOM 1827 C ASP A 110 -4.201 -21.169 -8.435 1.00 0.00 C ATOM 1828 O ASP A 110 -3.402 -22.003 -8.846 1.00 0.00 O ATOM 1829 CB ASP A 110 -3.353 -19.753 -6.530 1.00 0.00 C ATOM 1830 CG ASP A 110 -4.515 -19.777 -5.538 1.00 0.00 C ATOM 1831 OD1 ASP A 110 -5.223 -20.805 -5.448 1.00 0.00 O ATOM 1832 OD2 ASP A 110 -4.632 -18.764 -4.815 1.00 0.00 O ATOM 0 H ASP A 110 -5.119 -18.286 -7.486 1.00 0.00 H new ATOM 0 HA ASP A 110 -2.814 -19.528 -8.598 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -2.719 -20.617 -6.330 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -2.754 -18.865 -6.328 1.00 0.00 H new ATOM 1837 N GLU A 111 -5.518 -21.424 -8.325 1.00 0.00 N ATOM 1838 CA GLU A 111 -6.094 -22.699 -8.796 1.00 0.00 C ATOM 1839 C GLU A 111 -5.853 -22.860 -10.292 1.00 0.00 C ATOM 1840 O GLU A 111 -5.452 -23.931 -10.752 1.00 0.00 O ATOM 1841 CB GLU A 111 -7.607 -22.757 -8.512 1.00 0.00 C ATOM 1842 CG GLU A 111 -8.007 -23.255 -7.118 1.00 0.00 C ATOM 1843 CD GLU A 111 -9.538 -23.282 -6.920 1.00 0.00 C ATOM 1844 OE1 GLU A 111 -10.265 -22.623 -7.705 1.00 0.00 O ATOM 1845 OE2 GLU A 111 -9.958 -23.938 -5.944 1.00 0.00 O ATOM 0 H GLU A 111 -6.195 -20.776 -7.921 1.00 0.00 H new ATOM 0 HA GLU A 111 -5.605 -23.511 -8.257 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -8.022 -21.759 -8.653 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.072 -23.404 -9.255 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -7.606 -24.257 -6.964 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -7.557 -22.611 -6.362 1.00 0.00 H new ATOM 1852 N LEU A 112 -6.044 -21.767 -11.049 1.00 0.00 N ATOM 1853 CA LEU A 112 -5.762 -21.774 -12.480 1.00 0.00 C ATOM 1854 C LEU A 112 -4.246 -21.950 -12.744 1.00 0.00 C ATOM 1855 O LEU A 112 -3.858 -22.710 -13.625 1.00 0.00 O ATOM 1856 CB LEU A 112 -6.267 -20.478 -13.130 1.00 0.00 C ATOM 1857 CG LEU A 112 -5.981 -20.428 -14.648 1.00 0.00 C ATOM 1858 CD1 LEU A 112 -6.641 -21.578 -15.417 1.00 0.00 C ATOM 1859 CD2 LEU A 112 -6.457 -19.112 -15.263 1.00 0.00 C ATOM 0 H LEU A 112 -6.390 -20.877 -10.690 1.00 0.00 H new ATOM 0 HA LEU A 112 -6.287 -22.619 -12.925 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.340 -20.385 -12.962 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -5.794 -19.624 -12.646 1.00 0.00 H new ATOM 0 HG LEU A 112 -4.899 -20.519 -14.739 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -6.405 -21.490 -16.477 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -6.267 -22.530 -15.040 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -7.722 -21.534 -15.281 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.240 -19.110 -16.331 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.531 -19.007 -15.110 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -5.939 -18.279 -14.787 1.00 0.00 H new ATOM 1871 N VAL A 113 -3.397 -21.285 -11.935 1.00 0.00 N ATOM 1872 CA VAL A 113 -1.926 -21.465 -12.033 1.00 0.00 C ATOM 1873 C VAL A 113 -1.557 -22.944 -11.823 1.00 0.00 C ATOM 1874 O VAL A 113 -0.805 -23.523 -12.605 1.00 0.00 O ATOM 1875 CB VAL A 113 -1.200 -20.593 -10.970 1.00 0.00 C ATOM 1876 CG1 VAL A 113 0.310 -20.877 -10.910 1.00 0.00 C ATOM 1877 CG2 VAL A 113 -1.347 -19.083 -11.193 1.00 0.00 C ATOM 0 H VAL A 113 -3.694 -20.627 -11.215 1.00 0.00 H new ATOM 0 HA VAL A 113 -1.608 -21.152 -13.027 1.00 0.00 H new ATOM 0 HB VAL A 113 -1.694 -20.875 -10.040 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.770 -20.242 -10.152 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.473 -21.924 -10.654 1.00 0.00 H new ATOM 0 HG13 VAL A 113 0.759 -20.666 -11.881 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -0.812 -18.546 -10.410 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -0.931 -18.817 -12.165 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -2.402 -18.812 -11.163 1.00 0.00 H new ATOM 1887 N ARG A 114 -2.124 -23.550 -10.770 1.00 0.00 N ATOM 1888 CA ARG A 114 -1.893 -24.969 -10.475 1.00 0.00 C ATOM 1889 C ARG A 114 -2.342 -25.842 -11.654 1.00 0.00 C ATOM 1890 O ARG A 114 -1.578 -26.670 -12.141 1.00 0.00 O ATOM 1891 CB ARG A 114 -2.660 -25.370 -9.200 1.00 0.00 C ATOM 1892 CG ARG A 114 -2.547 -26.871 -8.872 1.00 0.00 C ATOM 1893 CD ARG A 114 -3.259 -27.228 -7.561 1.00 0.00 C ATOM 1894 NE ARG A 114 -2.550 -26.674 -6.399 1.00 0.00 N ATOM 1895 CZ ARG A 114 -2.904 -26.781 -5.125 1.00 0.00 C ATOM 1896 NH1 ARG A 114 -3.999 -27.405 -4.743 1.00 0.00 N ATOM 1897 NH2 ARG A 114 -2.133 -26.245 -4.210 1.00 0.00 N ATOM 0 H ARG A 114 -2.744 -23.080 -10.111 1.00 0.00 H new ATOM 0 HA ARG A 114 -0.826 -25.124 -10.315 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -2.281 -24.791 -8.358 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -3.712 -25.109 -9.319 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -2.976 -27.454 -9.688 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -1.495 -27.148 -8.801 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -4.279 -26.845 -7.583 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -3.327 -28.312 -7.465 1.00 0.00 H new ATOM 0 HE ARG A 114 -1.695 -26.152 -6.593 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -4.613 -27.830 -5.438 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -4.233 -27.464 -3.752 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -1.280 -25.757 -4.484 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -2.386 -26.315 -3.224 1.00 0.00 H new ATOM 1911 N HIS A 115 -3.541 -25.569 -12.177 1.00 0.00 N ATOM 1912 CA HIS A 115 -4.065 -26.292 -13.338 1.00 0.00 C ATOM 1913 C HIS A 115 -3.116 -26.159 -14.543 1.00 0.00 C ATOM 1914 O HIS A 115 -2.743 -27.156 -15.158 1.00 0.00 O ATOM 1915 CB HIS A 115 -5.449 -25.752 -13.700 1.00 0.00 C ATOM 1916 CG HIS A 115 -5.883 -26.106 -15.095 1.00 0.00 C ATOM 1917 ND1 HIS A 115 -6.397 -27.314 -15.517 1.00 0.00 N ATOM 1918 CD2 HIS A 115 -5.746 -25.296 -16.189 1.00 0.00 C ATOM 1919 CE1 HIS A 115 -6.573 -27.222 -16.847 1.00 0.00 C ATOM 1920 NE2 HIS A 115 -6.211 -26.009 -17.275 1.00 0.00 N ATOM 0 H HIS A 115 -4.168 -24.851 -11.813 1.00 0.00 H new ATOM 0 HA HIS A 115 -4.143 -27.348 -13.081 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -6.179 -26.141 -12.991 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -5.447 -24.667 -13.593 1.00 0.00 H new ATOM 0 HD1 HIS A 115 -6.604 -28.123 -14.932 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -5.350 -24.291 -16.200 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -6.952 -28.013 -17.477 1.00 0.00 H new ATOM 1928 N HIS A 116 -2.681 -24.926 -14.831 1.00 0.00 N ATOM 1929 CA HIS A 116 -1.721 -24.674 -15.905 1.00 0.00 C ATOM 1930 C HIS A 116 -0.429 -25.494 -15.693 1.00 0.00 C ATOM 1931 O HIS A 116 0.183 -25.949 -16.656 1.00 0.00 O ATOM 1932 CB HIS A 116 -1.377 -23.177 -15.969 1.00 0.00 C ATOM 1933 CG HIS A 116 -2.419 -22.226 -16.518 1.00 0.00 C ATOM 1934 ND1 HIS A 116 -3.472 -22.487 -17.378 1.00 0.00 N ATOM 1935 CD2 HIS A 116 -2.362 -20.866 -16.353 1.00 0.00 C ATOM 1936 CE1 HIS A 116 -4.015 -21.303 -17.714 1.00 0.00 C ATOM 1937 NE2 HIS A 116 -3.374 -20.289 -17.121 1.00 0.00 N ATOM 0 H HIS A 116 -2.981 -24.088 -14.333 1.00 0.00 H new ATOM 0 HA HIS A 116 -2.178 -24.981 -16.846 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -1.126 -22.850 -14.960 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -0.476 -23.068 -16.573 1.00 0.00 H new ATOM 0 HD1 HIS A 116 -3.779 -23.406 -17.697 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -1.655 -20.333 -15.735 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -4.859 -21.186 -18.377 1.00 0.00 H new ATOM 1945 N ASN A 117 -0.041 -25.703 -14.418 1.00 0.00 N ATOM 1946 CA ASN A 117 1.185 -26.445 -14.094 1.00 0.00 C ATOM 1947 C ASN A 117 1.087 -27.918 -14.565 1.00 0.00 C ATOM 1948 O ASN A 117 2.107 -28.584 -14.748 1.00 0.00 O ATOM 1949 CB ASN A 117 1.441 -26.398 -12.571 1.00 0.00 C ATOM 1950 CG ASN A 117 2.905 -26.546 -12.171 1.00 0.00 C ATOM 1951 OD1 ASN A 117 3.394 -25.844 -11.304 1.00 0.00 O ATOM 1952 ND2 ASN A 117 3.652 -27.453 -12.770 1.00 0.00 N ATOM 0 H ASN A 117 -0.558 -25.369 -13.604 1.00 0.00 H new ATOM 0 HA ASN A 117 2.016 -25.973 -14.618 1.00 0.00 H new ATOM 0 HB2 ASN A 117 1.065 -25.452 -12.181 1.00 0.00 H new ATOM 0 HB3 ASN A 117 0.865 -27.191 -12.094 1.00 0.00 H new ATOM 0 HD21 ASN A 117 4.631 -27.562 -12.506 1.00 0.00 H new ATOM 0 HD22 ASN A 117 3.251 -28.045 -13.497 1.00 0.00 H new ATOM 1959 N MET A 118 -0.146 -28.398 -14.794 1.00 0.00 N ATOM 1960 CA MET A 118 -0.368 -29.738 -15.349 1.00 0.00 C ATOM 1961 C MET A 118 -0.110 -29.745 -16.872 1.00 0.00 C ATOM 1962 O MET A 118 0.341 -30.745 -17.423 1.00 0.00 O ATOM 1963 CB MET A 118 -1.813 -30.194 -15.064 1.00 0.00 C ATOM 1964 CG MET A 118 -2.161 -30.121 -13.567 1.00 0.00 C ATOM 1965 SD MET A 118 -3.855 -30.605 -13.143 1.00 0.00 S ATOM 1966 CE MET A 118 -3.783 -30.386 -11.342 1.00 0.00 C ATOM 0 H MET A 118 -1.002 -27.877 -14.603 1.00 0.00 H new ATOM 0 HA MET A 118 0.329 -30.428 -14.873 1.00 0.00 H new ATOM 0 HB2 MET A 118 -2.507 -29.570 -15.627 1.00 0.00 H new ATOM 0 HB3 MET A 118 -1.946 -31.217 -15.417 1.00 0.00 H new ATOM 0 HG2 MET A 118 -1.470 -30.760 -13.018 1.00 0.00 H new ATOM 0 HG3 MET A 118 -1.995 -29.101 -13.221 1.00 0.00 H new ATOM 0 HE1 MET A 118 -4.749 -30.641 -10.906 1.00 0.00 H new ATOM 0 HE2 MET A 118 -3.014 -31.037 -10.927 1.00 0.00 H new ATOM 0 HE3 MET A 118 -3.543 -29.348 -11.111 1.00 0.00 H new ATOM 1976 N HIS A 119 -0.377 -28.604 -17.535 1.00 0.00 N ATOM 1977 CA HIS A 119 -0.116 -28.460 -18.969 1.00 0.00 C ATOM 1978 C HIS A 119 1.385 -28.311 -19.226 1.00 0.00 C ATOM 1979 O HIS A 119 1.852 -28.487 -20.351 1.00 0.00 O ATOM 1980 CB HIS A 119 -0.859 -27.233 -19.524 1.00 0.00 C ATOM 1981 CG HIS A 119 -2.362 -27.330 -19.608 1.00 0.00 C ATOM 1982 ND1 HIS A 119 -3.073 -28.340 -20.223 1.00 0.00 N ATOM 1983 CD2 HIS A 119 -3.252 -26.345 -19.269 1.00 0.00 C ATOM 1984 CE1 HIS A 119 -4.366 -27.970 -20.240 1.00 0.00 C ATOM 1985 NE2 HIS A 119 -4.508 -26.765 -19.688 1.00 0.00 N ATOM 0 H HIS A 119 -0.773 -27.773 -17.096 1.00 0.00 H new ATOM 0 HA HIS A 119 -0.475 -29.356 -19.475 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -0.608 -26.374 -18.902 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -0.475 -27.026 -20.523 1.00 0.00 H new ATOM 0 HD1 HIS A 119 -2.689 -29.208 -20.596 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -3.020 -25.416 -18.769 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -5.173 -28.564 -20.643 1.00 0.00 H new