USER MOD reduce.3.24.130724 H: found=0, std=0, add=264, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 264 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 Single : A 5 GLN :FLIP amide:sc= -0.449 F(o=-1.5,f=-0.45) USER MOD Single : A 6 GLN : amide:sc= -0.31 X(o=-0.31,f=-0.72) USER MOD Single : A 12 GLN : amide:sc=-0.00439 X(o=-0.0044,f=-0.054) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -167:sc= -0.0334 (180deg=-0.269) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=-0.0015) USER MOD Single : A 30 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00243) USER MOD Single : A 31 LYS NZ :NH3+ -130:sc= -0.133 (180deg=-0.853) USER MOD Single : A 35 LYS NZ :NH3+ -158:sc= -0.0502 (180deg=-0.343) USER MOD ----------------------------------------------------------------- ATOM 63 N GLN A 5 7.352 4.023 -3.210 1.00 0.00 N ATOM 64 CA GLN A 5 6.581 5.250 -3.053 1.00 0.00 C ATOM 65 C GLN A 5 7.217 6.163 -2.009 1.00 0.00 C ATOM 66 O GLN A 5 6.877 7.342 -1.913 1.00 0.00 O ATOM 67 CB GLN A 5 5.141 4.925 -2.654 1.00 0.00 C ATOM 68 CG GLN A 5 5.021 4.271 -1.287 1.00 0.00 C ATOM 69 CD GLN A 5 4.952 5.282 -0.160 1.00 0.00 C ATOM 70 OE1 GLN A 5 4.031 6.232 -0.273 1.00 0.00 O flip ATOM 71 NE2 GLN A 5 5.717 5.211 0.802 1.00 0.00 N flip ATOM 0 HA GLN A 5 6.576 5.771 -4.010 1.00 0.00 H new ATOM 0 HB2 GLN A 5 4.555 5.844 -2.661 1.00 0.00 H new ATOM 0 HB3 GLN A 5 4.706 4.264 -3.403 1.00 0.00 H new ATOM 0 HG2 GLN A 5 4.128 3.646 -1.265 1.00 0.00 H new ATOM 0 HG3 GLN A 5 5.875 3.613 -1.127 1.00 0.00 H new ATOM 0 HE21 GLN A 5 6.410 4.464 0.848 1.00 0.00 H new ATOM 0 HE22 GLN A 5 5.658 5.899 1.553 1.00 0.00 H new ATOM 80 N GLN A 6 8.140 5.609 -1.230 1.00 0.00 N ATOM 81 CA GLN A 6 8.822 6.373 -0.192 1.00 0.00 C ATOM 82 C GLN A 6 9.478 7.620 -0.777 1.00 0.00 C ATOM 83 O GLN A 6 9.672 8.615 -0.079 1.00 0.00 O ATOM 84 CB GLN A 6 9.874 5.507 0.502 1.00 0.00 C ATOM 85 CG GLN A 6 9.282 4.463 1.436 1.00 0.00 C ATOM 86 CD GLN A 6 9.132 4.970 2.856 1.00 0.00 C ATOM 87 OE1 GLN A 6 8.026 5.028 3.393 1.00 0.00 O ATOM 88 NE2 GLN A 6 10.248 5.339 3.474 1.00 0.00 N ATOM 0 H GLN A 6 8.433 4.634 -1.298 1.00 0.00 H new ATOM 0 HA GLN A 6 8.079 6.685 0.541 1.00 0.00 H new ATOM 0 HB2 GLN A 6 10.477 5.005 -0.255 1.00 0.00 H new ATOM 0 HB3 GLN A 6 10.546 6.151 1.069 1.00 0.00 H new ATOM 0 HG2 GLN A 6 8.307 4.155 1.059 1.00 0.00 H new ATOM 0 HG3 GLN A 6 9.918 3.578 1.435 1.00 0.00 H new ATOM 0 HE21 GLN A 6 11.144 5.274 2.991 1.00 0.00 H new ATOM 0 HE22 GLN A 6 10.209 5.687 4.432 1.00 0.00 H new ATOM 97 N GLU A 7 9.817 7.558 -2.061 1.00 0.00 N ATOM 98 CA GLU A 7 10.452 8.682 -2.738 1.00 0.00 C ATOM 99 C GLU A 7 9.432 9.774 -3.052 1.00 0.00 C ATOM 100 O GLU A 7 9.769 10.958 -3.103 1.00 0.00 O ATOM 101 CB GLU A 7 11.128 8.214 -4.028 1.00 0.00 C ATOM 102 CG GLU A 7 12.645 8.196 -3.948 1.00 0.00 C ATOM 103 CD GLU A 7 13.234 9.575 -3.718 1.00 0.00 C ATOM 104 OE1 GLU A 7 12.516 10.572 -3.943 1.00 0.00 O ATOM 105 OE2 GLU A 7 14.412 9.656 -3.312 1.00 0.00 O ATOM 0 H GLU A 7 9.662 6.742 -2.653 1.00 0.00 H new ATOM 0 HA GLU A 7 11.208 9.095 -2.070 1.00 0.00 H new ATOM 0 HB2 GLU A 7 10.773 7.212 -4.271 1.00 0.00 H new ATOM 0 HB3 GLU A 7 10.823 8.867 -4.846 1.00 0.00 H new ATOM 0 HG2 GLU A 7 12.955 7.533 -3.140 1.00 0.00 H new ATOM 0 HG3 GLU A 7 13.049 7.782 -4.872 1.00 0.00 H new ATOM 112 N LEU A 8 8.185 9.367 -3.262 1.00 0.00 N ATOM 113 CA LEU A 8 7.115 10.309 -3.571 1.00 0.00 C ATOM 114 C LEU A 8 6.685 11.072 -2.322 1.00 0.00 C ATOM 115 O LEU A 8 6.514 12.290 -2.356 1.00 0.00 O ATOM 116 CB LEU A 8 5.917 9.572 -4.170 1.00 0.00 C ATOM 117 CG LEU A 8 4.798 10.452 -4.729 1.00 0.00 C ATOM 118 CD1 LEU A 8 5.360 11.474 -5.705 1.00 0.00 C ATOM 119 CD2 LEU A 8 3.733 9.598 -5.402 1.00 0.00 C ATOM 0 H LEU A 8 7.890 8.391 -3.224 1.00 0.00 H new ATOM 0 HA LEU A 8 7.494 11.025 -4.300 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.277 8.925 -4.970 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.493 8.924 -3.402 1.00 0.00 H new ATOM 0 HG LEU A 8 4.335 10.988 -3.900 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.549 12.091 -6.093 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.085 12.107 -5.192 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.849 10.958 -6.531 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.945 10.241 -5.794 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.182 9.035 -6.220 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.309 8.906 -4.675 1.00 0.00 H new ATOM 131 N GLU A 9 6.514 10.347 -1.221 1.00 0.00 N ATOM 132 CA GLU A 9 6.106 10.957 0.039 1.00 0.00 C ATOM 133 C GLU A 9 7.117 12.009 0.487 1.00 0.00 C ATOM 134 O GLU A 9 6.743 13.073 0.978 1.00 0.00 O ATOM 135 CB GLU A 9 5.953 9.888 1.123 1.00 0.00 C ATOM 136 CG GLU A 9 7.192 9.029 1.310 1.00 0.00 C ATOM 137 CD GLU A 9 7.006 7.960 2.370 1.00 0.00 C ATOM 138 OE1 GLU A 9 5.909 7.367 2.429 1.00 0.00 O ATOM 139 OE2 GLU A 9 7.959 7.717 3.140 1.00 0.00 O ATOM 0 H GLU A 9 6.652 9.337 -1.176 1.00 0.00 H new ATOM 0 HA GLU A 9 5.144 11.445 -0.118 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.712 10.373 2.069 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.110 9.245 0.871 1.00 0.00 H new ATOM 0 HG2 GLU A 9 7.447 8.555 0.362 1.00 0.00 H new ATOM 0 HG3 GLU A 9 8.033 9.666 1.585 1.00 0.00 H new ATOM 146 N GLU A 10 8.399 11.701 0.313 1.00 0.00 N ATOM 147 CA GLU A 10 9.463 12.619 0.701 1.00 0.00 C ATOM 148 C GLU A 10 9.521 13.816 -0.244 1.00 0.00 C ATOM 149 O GLU A 10 9.749 14.948 0.183 1.00 0.00 O ATOM 150 CB GLU A 10 10.812 11.896 0.710 1.00 0.00 C ATOM 151 CG GLU A 10 11.196 11.308 -0.637 1.00 0.00 C ATOM 152 CD GLU A 10 12.529 10.586 -0.599 1.00 0.00 C ATOM 153 OE1 GLU A 10 12.570 9.442 -0.099 1.00 0.00 O ATOM 154 OE2 GLU A 10 13.531 11.164 -1.070 1.00 0.00 O ATOM 0 H GLU A 10 8.725 10.824 -0.094 1.00 0.00 H new ATOM 0 HA GLU A 10 9.246 12.982 1.706 1.00 0.00 H new ATOM 0 HB2 GLU A 10 11.587 12.594 1.026 1.00 0.00 H new ATOM 0 HB3 GLU A 10 10.781 11.097 1.451 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.420 10.614 -0.961 1.00 0.00 H new ATOM 0 HG3 GLU A 10 11.240 12.106 -1.378 1.00 0.00 H new ATOM 161 N CYS A 11 9.315 13.556 -1.530 1.00 0.00 N ATOM 162 CA CYS A 11 9.342 14.610 -2.537 1.00 0.00 C ATOM 163 C CYS A 11 8.277 15.665 -2.250 1.00 0.00 C ATOM 164 O CYS A 11 8.559 16.862 -2.253 1.00 0.00 O ATOM 165 CB CYS A 11 9.127 14.018 -3.931 1.00 0.00 C ATOM 166 SG CYS A 11 9.814 15.029 -5.283 1.00 0.00 S ATOM 0 H CYS A 11 9.127 12.624 -1.900 1.00 0.00 H new ATOM 0 HA CYS A 11 10.321 15.088 -2.500 1.00 0.00 H new ATOM 0 HB2 CYS A 11 9.579 13.027 -3.967 1.00 0.00 H new ATOM 0 HB3 CYS A 11 8.058 13.887 -4.097 1.00 0.00 H new ATOM 171 N GLN A 12 7.053 15.209 -2.004 1.00 0.00 N ATOM 172 CA GLN A 12 5.946 16.113 -1.715 1.00 0.00 C ATOM 173 C GLN A 12 6.151 16.814 -0.376 1.00 0.00 C ATOM 174 O GLN A 12 5.938 18.020 -0.257 1.00 0.00 O ATOM 175 CB GLN A 12 4.622 15.345 -1.704 1.00 0.00 C ATOM 176 CG GLN A 12 4.333 14.615 -3.006 1.00 0.00 C ATOM 177 CD GLN A 12 2.857 14.604 -3.353 1.00 0.00 C ATOM 178 OE1 GLN A 12 2.026 14.150 -2.566 1.00 0.00 O ATOM 179 NE2 GLN A 12 2.523 15.105 -4.536 1.00 0.00 N ATOM 0 H GLN A 12 6.803 14.220 -1.999 1.00 0.00 H new ATOM 0 HA GLN A 12 5.913 16.869 -2.499 1.00 0.00 H new ATOM 0 HB2 GLN A 12 4.637 14.623 -0.888 1.00 0.00 H new ATOM 0 HB3 GLN A 12 3.809 16.041 -1.499 1.00 0.00 H new ATOM 0 HG2 GLN A 12 4.889 15.089 -3.815 1.00 0.00 H new ATOM 0 HG3 GLN A 12 4.692 13.589 -2.930 1.00 0.00 H new ATOM 0 HE21 GLN A 12 3.245 15.471 -5.157 1.00 0.00 H new ATOM 0 HE22 GLN A 12 1.545 15.124 -4.824 1.00 0.00 H new ATOM 188 N ASN A 13 6.565 16.050 0.630 1.00 0.00 N ATOM 189 CA ASN A 13 6.796 16.598 1.961 1.00 0.00 C ATOM 190 C ASN A 13 7.766 17.774 1.904 1.00 0.00 C ATOM 191 O ASN A 13 7.570 18.788 2.574 1.00 0.00 O ATOM 192 CB ASN A 13 7.343 15.515 2.893 1.00 0.00 C ATOM 193 CG ASN A 13 7.939 16.092 4.163 1.00 0.00 C ATOM 194 OD1 ASN A 13 7.301 16.883 4.857 1.00 0.00 O ATOM 195 ND2 ASN A 13 9.168 15.697 4.472 1.00 0.00 N ATOM 0 H ASN A 13 6.747 15.050 0.548 1.00 0.00 H new ATOM 0 HA ASN A 13 5.843 16.955 2.351 1.00 0.00 H new ATOM 0 HB2 ASN A 13 6.541 14.824 3.153 1.00 0.00 H new ATOM 0 HB3 ASN A 13 8.104 14.938 2.368 1.00 0.00 H new ATOM 0 HD21 ASN A 13 9.621 16.051 5.315 1.00 0.00 H new ATOM 0 HD22 ASN A 13 9.660 15.039 3.867 1.00 0.00 H new ATOM 202 N VAL A 14 8.814 17.631 1.099 1.00 0.00 N ATOM 203 CA VAL A 14 9.815 18.681 0.952 1.00 0.00 C ATOM 204 C VAL A 14 9.236 19.894 0.232 1.00 0.00 C ATOM 205 O VAL A 14 9.489 21.037 0.616 1.00 0.00 O ATOM 206 CB VAL A 14 11.047 18.178 0.178 1.00 0.00 C ATOM 207 CG1 VAL A 14 12.057 19.301 -0.008 1.00 0.00 C ATOM 208 CG2 VAL A 14 11.680 16.995 0.894 1.00 0.00 C ATOM 0 H VAL A 14 8.992 16.798 0.538 1.00 0.00 H new ATOM 0 HA VAL A 14 10.121 18.970 1.957 1.00 0.00 H new ATOM 0 HB VAL A 14 10.723 17.846 -0.808 1.00 0.00 H new ATOM 0 HG11 VAL A 14 12.921 18.926 -0.557 1.00 0.00 H new ATOM 0 HG12 VAL A 14 11.597 20.115 -0.568 1.00 0.00 H new ATOM 0 HG13 VAL A 14 12.378 19.667 0.967 1.00 0.00 H new ATOM 0 HG21 VAL A 14 12.549 16.653 0.333 1.00 0.00 H new ATOM 0 HG22 VAL A 14 11.990 17.298 1.894 1.00 0.00 H new ATOM 0 HG23 VAL A 14 10.955 16.185 0.969 1.00 0.00 H new ATOM 218 N CYS A 15 8.457 19.638 -0.813 1.00 0.00 N ATOM 219 CA CYS A 15 7.842 20.708 -1.589 1.00 0.00 C ATOM 220 C CYS A 15 7.015 21.625 -0.691 1.00 0.00 C ATOM 221 O CYS A 15 7.064 22.848 -0.823 1.00 0.00 O ATOM 222 CB CYS A 15 6.957 20.124 -2.692 1.00 0.00 C ATOM 223 SG CYS A 15 7.882 19.308 -4.033 1.00 0.00 S ATOM 0 H CYS A 15 8.236 18.698 -1.142 1.00 0.00 H new ATOM 0 HA CYS A 15 8.639 21.296 -2.045 1.00 0.00 H new ATOM 0 HB2 CYS A 15 6.270 19.404 -2.248 1.00 0.00 H new ATOM 0 HB3 CYS A 15 6.350 20.923 -3.118 1.00 0.00 H new ATOM 228 N ARG A 16 6.258 21.025 0.221 1.00 0.00 N ATOM 229 CA ARG A 16 5.420 21.786 1.139 1.00 0.00 C ATOM 230 C ARG A 16 6.274 22.635 2.077 1.00 0.00 C ATOM 231 O ARG A 16 5.785 23.585 2.688 1.00 0.00 O ATOM 232 CB ARG A 16 4.532 20.844 1.954 1.00 0.00 C ATOM 233 CG ARG A 16 3.659 19.939 1.099 1.00 0.00 C ATOM 234 CD ARG A 16 3.419 18.597 1.772 1.00 0.00 C ATOM 235 NE ARG A 16 2.944 17.589 0.829 1.00 0.00 N ATOM 236 CZ ARG A 16 2.298 16.487 1.195 1.00 0.00 C ATOM 237 NH1 ARG A 16 2.051 16.254 2.477 1.00 0.00 N ATOM 238 NH2 ARG A 16 1.898 15.616 0.278 1.00 0.00 N ATOM 0 H ARG A 16 6.208 20.014 0.344 1.00 0.00 H new ATOM 0 HA ARG A 16 4.788 22.450 0.549 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.162 20.227 2.594 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.894 21.436 2.610 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.703 20.428 0.909 1.00 0.00 H new ATOM 0 HG3 ARG A 16 4.135 19.782 0.131 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.344 18.253 2.235 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.688 18.718 2.572 1.00 0.00 H new ATOM 0 HE ARG A 16 3.117 17.739 -0.165 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.357 16.922 3.185 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.555 15.407 2.755 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.086 15.792 -0.709 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.402 14.770 0.560 1.00 0.00 H new ATOM 252 N MET A 17 7.551 22.284 2.187 1.00 0.00 N ATOM 253 CA MET A 17 8.473 23.014 3.049 1.00 0.00 C ATOM 254 C MET A 17 9.148 24.149 2.286 1.00 0.00 C ATOM 255 O MET A 17 10.007 24.848 2.824 1.00 0.00 O ATOM 256 CB MET A 17 9.531 22.067 3.619 1.00 0.00 C ATOM 257 CG MET A 17 9.102 21.380 4.905 1.00 0.00 C ATOM 258 SD MET A 17 10.482 21.088 6.030 1.00 0.00 S ATOM 259 CE MET A 17 10.357 22.521 7.097 1.00 0.00 C ATOM 0 H MET A 17 7.971 21.498 1.690 1.00 0.00 H new ATOM 0 HA MET A 17 7.900 23.443 3.871 1.00 0.00 H new ATOM 0 HB2 MET A 17 9.768 21.308 2.873 1.00 0.00 H new ATOM 0 HB3 MET A 17 10.447 22.628 3.805 1.00 0.00 H new ATOM 0 HG2 MET A 17 8.352 21.992 5.407 1.00 0.00 H new ATOM 0 HG3 MET A 17 8.627 20.429 4.664 1.00 0.00 H new ATOM 0 HE1 MET A 17 11.146 22.485 7.849 1.00 0.00 H new ATOM 0 HE2 MET A 17 10.464 23.428 6.502 1.00 0.00 H new ATOM 0 HE3 MET A 17 9.385 22.523 7.591 1.00 0.00 H new ATOM 269 N LYS A 18 8.754 24.328 1.030 1.00 0.00 N ATOM 270 CA LYS A 18 9.320 25.379 0.192 1.00 0.00 C ATOM 271 C LYS A 18 8.769 26.745 0.587 1.00 0.00 C ATOM 272 O LYS A 18 7.559 26.969 0.558 1.00 0.00 O ATOM 273 CB LYS A 18 9.018 25.101 -1.282 1.00 0.00 C ATOM 274 CG LYS A 18 9.668 23.833 -1.808 1.00 0.00 C ATOM 275 CD LYS A 18 11.182 23.895 -1.696 1.00 0.00 C ATOM 276 CE LYS A 18 11.753 25.056 -2.495 1.00 0.00 C ATOM 277 NZ LYS A 18 11.310 25.022 -3.917 1.00 0.00 N ATOM 0 H LYS A 18 8.044 23.758 0.569 1.00 0.00 H new ATOM 0 HA LYS A 18 10.400 25.386 0.340 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.939 25.028 -1.415 1.00 0.00 H new ATOM 0 HB3 LYS A 18 9.357 25.947 -1.879 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.296 22.974 -1.250 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.385 23.683 -2.850 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.466 23.998 -0.649 1.00 0.00 H new ATOM 0 HD3 LYS A 18 11.613 22.960 -2.053 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.443 25.997 -2.040 1.00 0.00 H new ATOM 0 HE3 LYS A 18 12.842 25.025 -2.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.883 25.686 -4.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.429 24.060 -4.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.308 25.296 -3.975 1.00 0.00 H new ATOM 291 N ARG A 19 9.665 27.656 0.953 1.00 0.00 N ATOM 292 CA ARG A 19 9.267 29.000 1.354 1.00 0.00 C ATOM 293 C ARG A 19 9.291 29.952 0.162 1.00 0.00 C ATOM 294 O ARG A 19 9.782 31.077 0.264 1.00 0.00 O ATOM 295 CB ARG A 19 10.193 29.521 2.456 1.00 0.00 C ATOM 296 CG ARG A 19 11.642 29.658 2.019 1.00 0.00 C ATOM 297 CD ARG A 19 12.579 29.740 3.214 1.00 0.00 C ATOM 298 NE ARG A 19 12.248 30.859 4.093 1.00 0.00 N ATOM 299 CZ ARG A 19 12.836 31.072 5.265 1.00 0.00 C ATOM 300 NH1 ARG A 19 13.780 30.246 5.696 1.00 0.00 N ATOM 301 NH2 ARG A 19 12.480 32.112 6.008 1.00 0.00 N ATOM 0 H ARG A 19 10.671 27.488 0.980 1.00 0.00 H new ATOM 0 HA ARG A 19 8.248 28.952 1.738 1.00 0.00 H new ATOM 0 HB2 ARG A 19 9.831 30.492 2.794 1.00 0.00 H new ATOM 0 HB3 ARG A 19 10.142 28.846 3.311 1.00 0.00 H new ATOM 0 HG2 ARG A 19 11.918 28.806 1.397 1.00 0.00 H new ATOM 0 HG3 ARG A 19 11.755 30.551 1.405 1.00 0.00 H new ATOM 0 HD2 ARG A 19 12.529 28.809 3.778 1.00 0.00 H new ATOM 0 HD3 ARG A 19 13.606 29.846 2.863 1.00 0.00 H new ATOM 0 HE ARG A 19 11.526 31.513 3.790 1.00 0.00 H new ATOM 0 HH11 ARG A 19 14.056 29.445 5.127 1.00 0.00 H new ATOM 0 HH12 ARG A 19 14.230 30.411 6.596 1.00 0.00 H new ATOM 0 HH21 ARG A 19 11.754 32.749 5.679 1.00 0.00 H new ATOM 0 HH22 ARG A 19 12.932 32.275 6.908 1.00 0.00 H new ATOM 315 N TRP A 20 8.759 29.494 -0.965 1.00 0.00 N ATOM 316 CA TRP A 20 8.719 30.305 -2.176 1.00 0.00 C ATOM 317 C TRP A 20 7.336 30.913 -2.380 1.00 0.00 C ATOM 318 O TRP A 20 7.171 32.132 -2.340 1.00 0.00 O ATOM 319 CB TRP A 20 9.104 29.461 -3.393 1.00 0.00 C ATOM 320 CG TRP A 20 10.579 29.230 -3.513 1.00 0.00 C ATOM 321 CD1 TRP A 20 11.482 29.145 -2.491 1.00 0.00 C ATOM 322 CD2 TRP A 20 11.324 29.054 -4.723 1.00 0.00 C ATOM 323 NE1 TRP A 20 12.742 28.928 -2.993 1.00 0.00 N ATOM 324 CE2 TRP A 20 12.672 28.868 -4.360 1.00 0.00 C ATOM 325 CE3 TRP A 20 10.982 29.035 -6.078 1.00 0.00 C ATOM 326 CZ2 TRP A 20 13.675 28.666 -5.304 1.00 0.00 C ATOM 327 CZ3 TRP A 20 11.980 28.835 -7.013 1.00 0.00 C ATOM 328 CH2 TRP A 20 13.313 28.652 -6.623 1.00 0.00 C ATOM 0 H TRP A 20 8.349 28.565 -1.066 1.00 0.00 H new ATOM 0 HA TRP A 20 9.438 31.116 -2.063 1.00 0.00 H new ATOM 0 HB2 TRP A 20 8.596 28.498 -3.334 1.00 0.00 H new ATOM 0 HB3 TRP A 20 8.746 29.955 -4.296 1.00 0.00 H new ATOM 0 HD1 TRP A 20 11.240 29.235 -1.442 1.00 0.00 H new ATOM 0 HE1 TRP A 20 13.592 28.828 -2.438 1.00 0.00 H new ATOM 0 HE3 TRP A 20 9.957 29.174 -6.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 14.703 28.525 -5.005 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 11.728 28.820 -8.063 1.00 0.00 H new ATOM 0 HH2 TRP A 20 14.069 28.497 -7.378 1.00 0.00 H new ATOM 339 N SER A 21 6.344 30.055 -2.598 1.00 0.00 N ATOM 340 CA SER A 21 4.974 30.508 -2.809 1.00 0.00 C ATOM 341 C SER A 21 4.021 29.322 -2.919 1.00 0.00 C ATOM 342 O SER A 21 4.396 28.250 -3.395 1.00 0.00 O ATOM 343 CB SER A 21 4.888 31.365 -4.074 1.00 0.00 C ATOM 344 OG SER A 21 5.231 30.613 -5.224 1.00 0.00 O ATOM 0 H SER A 21 6.464 29.043 -2.633 1.00 0.00 H new ATOM 0 HA SER A 21 4.679 31.110 -1.949 1.00 0.00 H new ATOM 0 HB2 SER A 21 3.878 31.759 -4.182 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.556 32.221 -3.983 1.00 0.00 H new ATOM 0 HG SER A 21 5.166 31.183 -6.019 1.00 0.00 H new ATOM 350 N THR A 22 2.783 29.523 -2.475 1.00 0.00 N ATOM 351 CA THR A 22 1.775 28.472 -2.523 1.00 0.00 C ATOM 352 C THR A 22 1.676 27.868 -3.919 1.00 0.00 C ATOM 353 O THR A 22 1.521 26.656 -4.070 1.00 0.00 O ATOM 354 CB THR A 22 0.390 29.003 -2.106 1.00 0.00 C ATOM 355 OG1 THR A 22 -0.594 27.973 -2.251 1.00 0.00 O ATOM 356 CG2 THR A 22 -0.003 30.208 -2.947 1.00 0.00 C ATOM 0 H THR A 22 2.456 30.404 -2.079 1.00 0.00 H new ATOM 0 HA THR A 22 2.088 27.701 -1.818 1.00 0.00 H new ATOM 0 HB THR A 22 0.443 29.310 -1.061 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.471 28.318 -1.982 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.984 30.565 -2.635 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.732 31.001 -2.812 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.039 29.922 -3.998 1.00 0.00 H new ATOM 364 N GLU A 23 1.766 28.719 -4.935 1.00 0.00 N ATOM 365 CA GLU A 23 1.687 28.267 -6.319 1.00 0.00 C ATOM 366 C GLU A 23 2.811 27.283 -6.635 1.00 0.00 C ATOM 367 O GLU A 23 2.586 26.251 -7.265 1.00 0.00 O ATOM 368 CB GLU A 23 1.757 29.461 -7.274 1.00 0.00 C ATOM 369 CG GLU A 23 0.408 30.108 -7.538 1.00 0.00 C ATOM 370 CD GLU A 23 0.528 31.423 -8.284 1.00 0.00 C ATOM 371 OE1 GLU A 23 1.648 31.756 -8.724 1.00 0.00 O ATOM 372 OE2 GLU A 23 -0.499 32.120 -8.427 1.00 0.00 O ATOM 0 H GLU A 23 1.894 29.725 -4.826 1.00 0.00 H new ATOM 0 HA GLU A 23 0.733 27.758 -6.454 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.434 30.208 -6.860 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.185 29.133 -8.221 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.213 29.423 -8.115 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.101 30.278 -6.589 1.00 0.00 H new ATOM 379 N MET A 24 4.019 27.612 -6.191 1.00 0.00 N ATOM 380 CA MET A 24 5.178 26.759 -6.427 1.00 0.00 C ATOM 381 C MET A 24 5.028 25.425 -5.702 1.00 0.00 C ATOM 382 O MET A 24 5.465 24.386 -6.197 1.00 0.00 O ATOM 383 CB MET A 24 6.457 27.461 -5.968 1.00 0.00 C ATOM 384 CG MET A 24 6.960 28.509 -6.947 1.00 0.00 C ATOM 385 SD MET A 24 7.788 27.785 -8.376 1.00 0.00 S ATOM 386 CE MET A 24 7.188 28.846 -9.689 1.00 0.00 C ATOM 0 H MET A 24 4.221 28.463 -5.666 1.00 0.00 H new ATOM 0 HA MET A 24 5.243 26.565 -7.498 1.00 0.00 H new ATOM 0 HB2 MET A 24 6.276 27.934 -5.003 1.00 0.00 H new ATOM 0 HB3 MET A 24 7.237 26.715 -5.815 1.00 0.00 H new ATOM 0 HG2 MET A 24 6.120 29.115 -7.287 1.00 0.00 H new ATOM 0 HG3 MET A 24 7.650 29.179 -6.433 1.00 0.00 H new ATOM 0 HE1 MET A 24 7.613 28.524 -10.640 1.00 0.00 H new ATOM 0 HE2 MET A 24 6.101 28.785 -9.738 1.00 0.00 H new ATOM 0 HE3 MET A 24 7.485 29.876 -9.489 1.00 0.00 H new ATOM 396 N VAL A 25 4.407 25.462 -4.528 1.00 0.00 N ATOM 397 CA VAL A 25 4.197 24.256 -3.736 1.00 0.00 C ATOM 398 C VAL A 25 3.315 23.258 -4.478 1.00 0.00 C ATOM 399 O VAL A 25 3.697 22.105 -4.679 1.00 0.00 O ATOM 400 CB VAL A 25 3.552 24.583 -2.376 1.00 0.00 C ATOM 401 CG1 VAL A 25 3.474 23.336 -1.508 1.00 0.00 C ATOM 402 CG2 VAL A 25 4.327 25.685 -1.670 1.00 0.00 C ATOM 0 H VAL A 25 4.040 26.314 -4.104 1.00 0.00 H new ATOM 0 HA VAL A 25 5.179 23.813 -3.567 1.00 0.00 H new ATOM 0 HB VAL A 25 2.537 24.939 -2.552 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.016 23.587 -0.551 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.872 22.579 -2.011 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.478 22.947 -1.338 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.857 25.903 -0.711 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.354 25.359 -1.505 1.00 0.00 H new ATOM 0 HG23 VAL A 25 4.326 26.583 -2.287 1.00 0.00 H new ATOM 412 N HIS A 26 2.132 23.709 -4.883 1.00 0.00 N ATOM 413 CA HIS A 26 1.196 22.856 -5.606 1.00 0.00 C ATOM 414 C HIS A 26 1.845 22.277 -6.859 1.00 0.00 C ATOM 415 O HIS A 26 1.752 21.077 -7.121 1.00 0.00 O ATOM 416 CB HIS A 26 -0.057 23.646 -5.986 1.00 0.00 C ATOM 417 CG HIS A 26 -1.143 23.577 -4.957 1.00 0.00 C ATOM 418 ND1 HIS A 26 -2.350 22.949 -5.177 1.00 0.00 N ATOM 419 CD2 HIS A 26 -1.198 24.062 -3.694 1.00 0.00 C ATOM 420 CE1 HIS A 26 -3.101 23.051 -4.095 1.00 0.00 C ATOM 421 NE2 HIS A 26 -2.425 23.722 -3.180 1.00 0.00 N ATOM 0 H HIS A 26 1.799 24.660 -4.723 1.00 0.00 H new ATOM 0 HA HIS A 26 0.913 22.032 -4.951 1.00 0.00 H new ATOM 0 HB2 HIS A 26 0.216 24.689 -6.145 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -0.441 23.269 -6.934 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -0.421 24.614 -3.185 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -4.098 22.653 -3.978 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -2.760 23.950 -2.244 1.00 0.00 H new ATOM 429 N ARG A 27 2.503 23.136 -7.631 1.00 0.00 N ATOM 430 CA ARG A 27 3.166 22.710 -8.857 1.00 0.00 C ATOM 431 C ARG A 27 4.261 21.691 -8.557 1.00 0.00 C ATOM 432 O ARG A 27 4.418 20.703 -9.274 1.00 0.00 O ATOM 433 CB ARG A 27 3.762 23.916 -9.586 1.00 0.00 C ATOM 434 CG ARG A 27 4.657 23.539 -10.755 1.00 0.00 C ATOM 435 CD ARG A 27 5.285 24.768 -11.394 1.00 0.00 C ATOM 436 NE ARG A 27 6.510 24.442 -12.120 1.00 0.00 N ATOM 437 CZ ARG A 27 6.523 23.911 -13.337 1.00 0.00 C ATOM 438 NH1 ARG A 27 5.384 23.647 -13.962 1.00 0.00 N ATOM 439 NH2 ARG A 27 7.679 23.643 -13.932 1.00 0.00 N ATOM 0 H ARG A 27 2.591 24.132 -7.429 1.00 0.00 H new ATOM 0 HA ARG A 27 2.421 22.239 -9.498 1.00 0.00 H new ATOM 0 HB2 ARG A 27 2.951 24.548 -9.949 1.00 0.00 H new ATOM 0 HB3 ARG A 27 4.337 24.511 -8.876 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.442 22.865 -10.411 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.075 22.997 -11.500 1.00 0.00 H new ATOM 0 HD2 ARG A 27 4.570 25.227 -12.077 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.506 25.505 -10.622 1.00 0.00 H new ATOM 0 HE ARG A 27 7.404 24.633 -11.667 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.494 23.852 -13.508 1.00 0.00 H new ATOM 0 HH12 ARG A 27 5.398 23.239 -14.897 1.00 0.00 H new ATOM 0 HH21 ARG A 27 8.557 23.845 -13.454 1.00 0.00 H new ATOM 0 HH22 ARG A 27 7.689 23.235 -14.867 1.00 0.00 H new ATOM 453 N CYS A 28 5.017 21.939 -7.492 1.00 0.00 N ATOM 454 CA CYS A 28 6.096 21.044 -7.095 1.00 0.00 C ATOM 455 C CYS A 28 5.558 19.654 -6.768 1.00 0.00 C ATOM 456 O CYS A 28 6.037 18.652 -7.299 1.00 0.00 O ATOM 457 CB CYS A 28 6.840 21.612 -5.885 1.00 0.00 C ATOM 458 SG CYS A 28 8.348 20.694 -5.439 1.00 0.00 S ATOM 0 H CYS A 28 4.901 22.753 -6.889 1.00 0.00 H new ATOM 0 HA CYS A 28 6.789 20.959 -7.932 1.00 0.00 H new ATOM 0 HB2 CYS A 28 7.106 22.649 -6.090 1.00 0.00 H new ATOM 0 HB3 CYS A 28 6.166 21.620 -5.029 1.00 0.00 H new ATOM 463 N GLU A 29 4.560 19.603 -5.891 1.00 0.00 N ATOM 464 CA GLU A 29 3.959 18.336 -5.491 1.00 0.00 C ATOM 465 C GLU A 29 3.516 17.535 -6.712 1.00 0.00 C ATOM 466 O GLU A 29 3.934 16.394 -6.907 1.00 0.00 O ATOM 467 CB GLU A 29 2.765 18.581 -4.567 1.00 0.00 C ATOM 468 CG GLU A 29 3.146 19.190 -3.228 1.00 0.00 C ATOM 469 CD GLU A 29 2.107 18.934 -2.154 1.00 0.00 C ATOM 470 OE1 GLU A 29 1.730 17.760 -1.959 1.00 0.00 O ATOM 471 OE2 GLU A 29 1.671 19.910 -1.507 1.00 0.00 O ATOM 0 H GLU A 29 4.151 20.424 -5.444 1.00 0.00 H new ATOM 0 HA GLU A 29 4.712 17.760 -4.953 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.058 19.241 -5.069 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.251 17.636 -4.393 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.104 18.781 -2.906 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.282 20.265 -3.348 1.00 0.00 H new ATOM 478 N LYS A 30 2.664 18.141 -7.532 1.00 0.00 N ATOM 479 CA LYS A 30 2.164 17.488 -8.736 1.00 0.00 C ATOM 480 C LYS A 30 3.315 17.032 -9.626 1.00 0.00 C ATOM 481 O LYS A 30 3.260 15.961 -10.230 1.00 0.00 O ATOM 482 CB LYS A 30 1.249 18.437 -9.513 1.00 0.00 C ATOM 483 CG LYS A 30 -0.146 18.556 -8.925 1.00 0.00 C ATOM 484 CD LYS A 30 -1.066 19.362 -9.826 1.00 0.00 C ATOM 485 CE LYS A 30 -2.349 19.753 -9.109 1.00 0.00 C ATOM 486 NZ LYS A 30 -3.184 18.565 -8.780 1.00 0.00 N ATOM 0 H LYS A 30 2.305 19.084 -7.384 1.00 0.00 H new ATOM 0 HA LYS A 30 1.593 16.610 -8.433 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.707 19.426 -9.543 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.171 18.090 -10.543 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -0.564 17.561 -8.774 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.089 19.030 -7.945 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.549 20.260 -10.165 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -1.308 18.779 -10.715 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -2.104 20.290 -8.193 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.921 20.437 -9.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.057 18.875 -8.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -3.425 18.057 -9.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -2.654 17.932 -8.147 1.00 0.00 H new ATOM 500 N LYS A 31 4.358 17.851 -9.703 1.00 0.00 N ATOM 501 CA LYS A 31 5.524 17.532 -10.518 1.00 0.00 C ATOM 502 C LYS A 31 6.197 16.253 -10.029 1.00 0.00 C ATOM 503 O LYS A 31 6.611 15.413 -10.828 1.00 0.00 O ATOM 504 CB LYS A 31 6.525 18.690 -10.489 1.00 0.00 C ATOM 505 CG LYS A 31 6.280 19.732 -11.566 1.00 0.00 C ATOM 506 CD LYS A 31 6.860 19.299 -12.903 1.00 0.00 C ATOM 507 CE LYS A 31 8.376 19.429 -12.920 1.00 0.00 C ATOM 508 NZ LYS A 31 8.815 20.837 -12.716 1.00 0.00 N ATOM 0 H LYS A 31 4.420 18.742 -9.210 1.00 0.00 H new ATOM 0 HA LYS A 31 5.187 17.376 -11.543 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.482 19.172 -9.512 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.533 18.291 -10.604 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.209 19.903 -11.671 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.726 20.680 -11.265 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.580 18.265 -13.105 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.432 19.907 -13.701 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.803 18.799 -12.140 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.761 19.063 -13.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.501 21.097 -13.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.991 21.469 -12.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.260 20.930 -11.781 1.00 0.00 H new ATOM 522 N CYS A 32 6.301 16.112 -8.711 1.00 0.00 N ATOM 523 CA CYS A 32 6.921 14.934 -8.115 1.00 0.00 C ATOM 524 C CYS A 32 6.100 13.681 -8.407 1.00 0.00 C ATOM 525 O CYS A 32 6.653 12.610 -8.654 1.00 0.00 O ATOM 526 CB CYS A 32 7.068 15.120 -6.604 1.00 0.00 C ATOM 527 SG CYS A 32 8.422 16.239 -6.121 1.00 0.00 S ATOM 0 H CYS A 32 5.964 16.799 -8.036 1.00 0.00 H new ATOM 0 HA CYS A 32 7.910 14.811 -8.557 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.131 15.507 -6.203 1.00 0.00 H new ATOM 0 HB3 CYS A 32 7.234 14.146 -6.143 1.00 0.00 H new ATOM 532 N GLU A 33 4.779 13.825 -8.376 1.00 0.00 N ATOM 533 CA GLU A 33 3.883 12.704 -8.636 1.00 0.00 C ATOM 534 C GLU A 33 3.844 12.374 -10.126 1.00 0.00 C ATOM 535 O GLU A 33 3.659 11.220 -10.511 1.00 0.00 O ATOM 536 CB GLU A 33 2.473 13.023 -8.136 1.00 0.00 C ATOM 537 CG GLU A 33 1.499 13.378 -9.247 1.00 0.00 C ATOM 538 CD GLU A 33 0.186 13.924 -8.720 1.00 0.00 C ATOM 539 OE1 GLU A 33 0.106 14.209 -7.507 1.00 0.00 O ATOM 540 OE2 GLU A 33 -0.761 14.066 -9.522 1.00 0.00 O ATOM 0 H GLU A 33 4.306 14.706 -8.174 1.00 0.00 H new ATOM 0 HA GLU A 33 4.263 11.835 -8.098 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.088 12.163 -7.588 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.526 13.853 -7.431 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.957 14.117 -9.905 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.303 12.492 -9.851 1.00 0.00 H new ATOM 547 N GLU A 34 4.019 13.396 -10.958 1.00 0.00 N ATOM 548 CA GLU A 34 4.002 13.214 -12.404 1.00 0.00 C ATOM 549 C GLU A 34 5.297 12.566 -12.887 1.00 0.00 C ATOM 550 O GLU A 34 5.275 11.596 -13.644 1.00 0.00 O ATOM 551 CB GLU A 34 3.799 14.558 -13.107 1.00 0.00 C ATOM 552 CG GLU A 34 2.379 15.088 -13.008 1.00 0.00 C ATOM 553 CD GLU A 34 1.804 15.473 -14.357 1.00 0.00 C ATOM 554 OE1 GLU A 34 1.743 14.600 -15.248 1.00 0.00 O ATOM 555 OE2 GLU A 34 1.414 16.648 -14.522 1.00 0.00 O ATOM 0 H GLU A 34 4.174 14.358 -10.655 1.00 0.00 H new ATOM 0 HA GLU A 34 3.171 12.553 -12.651 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.482 15.290 -12.677 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.066 14.452 -14.159 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.744 14.330 -12.549 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.365 15.957 -12.350 1.00 0.00 H new ATOM 562 N LYS A 35 6.425 13.110 -12.443 1.00 0.00 N ATOM 563 CA LYS A 35 7.730 12.586 -12.826 1.00 0.00 C ATOM 564 C LYS A 35 7.937 11.180 -12.273 1.00 0.00 C ATOM 565 O LYS A 35 8.842 10.461 -12.697 1.00 0.00 O ATOM 566 CB LYS A 35 8.842 13.511 -12.325 1.00 0.00 C ATOM 567 CG LYS A 35 9.658 14.142 -13.440 1.00 0.00 C ATOM 568 CD LYS A 35 9.058 15.462 -13.892 1.00 0.00 C ATOM 569 CE LYS A 35 7.956 15.252 -14.919 1.00 0.00 C ATOM 570 NZ LYS A 35 8.494 14.745 -16.212 1.00 0.00 N ATOM 0 H LYS A 35 6.461 13.914 -11.817 1.00 0.00 H new ATOM 0 HA LYS A 35 7.768 12.538 -13.914 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.400 14.301 -11.718 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.508 12.945 -11.674 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.680 14.304 -13.097 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.711 13.457 -14.286 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.656 15.994 -13.030 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.839 16.091 -14.319 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.224 14.545 -14.528 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.432 16.193 -15.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.822 14.961 -16.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.406 15.204 -16.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.630 13.716 -16.152 1.00 0.00 H new ATOM 584 N PHE A 36 7.091 10.793 -11.324 1.00 0.00 N ATOM 585 CA PHE A 36 7.179 9.471 -10.714 1.00 0.00 C ATOM 586 C PHE A 36 6.661 8.397 -11.665 1.00 0.00 C ATOM 587 O PHE A 36 6.997 7.221 -11.531 1.00 0.00 O ATOM 588 CB PHE A 36 6.385 9.435 -9.406 1.00 0.00 C ATOM 589 CG PHE A 36 7.131 8.799 -8.269 1.00 0.00 C ATOM 590 CD1 PHE A 36 7.098 7.426 -8.082 1.00 0.00 C ATOM 591 CD2 PHE A 36 7.866 9.573 -7.385 1.00 0.00 C ATOM 592 CE1 PHE A 36 7.784 6.837 -7.037 1.00 0.00 C ATOM 593 CE2 PHE A 36 8.554 8.990 -6.338 1.00 0.00 C ATOM 594 CZ PHE A 36 8.512 7.621 -6.163 1.00 0.00 C ATOM 0 H PHE A 36 6.337 11.376 -10.961 1.00 0.00 H new ATOM 0 HA PHE A 36 8.228 9.267 -10.500 1.00 0.00 H new ATOM 0 HB2 PHE A 36 6.113 10.453 -9.127 1.00 0.00 H new ATOM 0 HB3 PHE A 36 5.455 8.890 -9.570 1.00 0.00 H new ATOM 0 HD1 PHE A 36 6.529 6.809 -8.762 1.00 0.00 H new ATOM 0 HD2 PHE A 36 7.901 10.644 -7.516 1.00 0.00 H new ATOM 0 HE1 PHE A 36 7.751 5.766 -6.904 1.00 0.00 H new ATOM 0 HE2 PHE A 36 9.124 9.605 -5.657 1.00 0.00 H new ATOM 0 HZ PHE A 36 9.047 7.164 -5.344 1.00 0.00 H new