USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 547 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 30 GLN : amide:sc= -6.58! C(o=-7.6!,f=-15!) USER MOD Set 1.2: A 75 ASN : amide:sc= -1.02 K(o=-7.6,f=-9.5!) USER MOD Set 2.1: A 18 LYS NZ :NH3+ 136:sc= 0.0218 (180deg=0) USER MOD Set 2.2: A 51 HIS : no HD1:sc= -3.58! C(o=-3.6!,f=-4.6!) USER MOD Single : A 8 LYS NZ :NH3+ -160:sc= -0.124 (180deg=-0.829) USER MOD Single : A 10 THR OG1 : rot 180:sc= -1.1 USER MOD Single : A 15 ASN : amide:sc= -0.428 K(o=-0.43,f=-2.4!) USER MOD Single : A 16 GLN : amide:sc= -11.6! C(o=-12!,f=-17!) USER MOD Single : A 19 GLN : amide:sc= -2.09 X(o=-2.1,f=-2.5!) USER MOD Single : A 23 SER OG : rot 57:sc= 1.12 USER MOD Single : A 28 ASN : amide:sc= -11.2! C(o=-11!,f=-18!) USER MOD Single : A 31 LYS NZ :NH3+ -174:sc= -0.156 (180deg=-0.199) USER MOD Single : A 45 ASN : amide:sc= -3.43! C(o=-3.4!,f=-7.2!) USER MOD Single : A 46 GLN :FLIP amide:sc= -0.0386 F(o=-2.6!,f=-0.039) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -2.18 K(o=-2.2,f=-3.5!) USER MOD Single : A 60 MET CE :methyl 167:sc= 0 (180deg=-0.0701) USER MOD Single : A 61 CYS SG : rot -85:sc= -1.68! USER MOD Single : A 63 LYS NZ :NH3+ -160:sc= -1.75! (180deg=-2.69!) USER MOD Single : A 65 LYS NZ :NH3+ -161:sc= -1.68 (180deg=-2.8!) USER MOD Single : A 66 SER OG : rot -159:sc= -3.6! USER MOD Single : A 67 LYS NZ :NH3+ 164:sc= 0.154 (180deg=-0.524) USER MOD Single : A 72 HIS : no HE2:sc= 0.451 K(o=0.45,f=-4.8!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= -0.0093 X(o=-0.0093,f=-0.13) USER MOD Single : A 79 ASN :FLIP amide:sc= -0.261 F(o=-1.9!,f=-0.26) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 92 N LYS A 8 3.901 50.865 1.222 1.00 0.00 N ATOM 93 CA LYS A 8 4.072 49.488 1.674 1.00 0.00 C ATOM 94 C LYS A 8 5.517 49.225 2.085 1.00 0.00 C ATOM 95 O LYS A 8 6.397 50.058 1.870 1.00 0.00 O ATOM 96 CB LYS A 8 3.680 48.527 0.551 1.00 0.00 C ATOM 97 CG LYS A 8 2.320 48.931 -0.028 1.00 0.00 C ATOM 98 CD LYS A 8 1.240 48.815 1.051 1.00 0.00 C ATOM 99 CE LYS A 8 -0.139 49.005 0.416 1.00 0.00 C ATOM 100 NZ LYS A 8 -0.087 50.137 -0.554 1.00 0.00 N1+ ATOM 0 HA LYS A 8 3.430 49.328 2.540 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.438 48.541 -0.233 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.634 47.507 0.932 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.364 49.954 -0.403 1.00 0.00 H new ATOM 0 HG3 LYS A 8 2.071 48.291 -0.875 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.298 47.840 1.535 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.402 49.565 1.825 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.447 48.091 -0.092 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.882 49.207 1.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.050 50.489 -0.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.496 50.904 -0.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.330 49.809 -1.449 1.00 0.00 H new ATOM 114 N PHE A 9 5.755 48.055 2.670 1.00 0.00 N ATOM 115 CA PHE A 9 7.101 47.687 3.094 1.00 0.00 C ATOM 116 C PHE A 9 7.924 47.253 1.884 1.00 0.00 C ATOM 117 O PHE A 9 7.392 46.671 0.937 1.00 0.00 O ATOM 118 CB PHE A 9 7.040 46.548 4.117 1.00 0.00 C ATOM 119 CG PHE A 9 6.579 47.081 5.456 1.00 0.00 C ATOM 120 CD1 PHE A 9 7.501 47.668 6.334 1.00 0.00 C ATOM 121 CD2 PHE A 9 5.231 46.982 5.824 1.00 0.00 C ATOM 122 CE1 PHE A 9 7.073 48.158 7.576 1.00 0.00 C ATOM 123 CE2 PHE A 9 4.806 47.471 7.066 1.00 0.00 C ATOM 124 CZ PHE A 9 5.726 48.058 7.942 1.00 0.00 C ATOM 0 H PHE A 9 5.041 47.352 2.860 1.00 0.00 H new ATOM 0 HA PHE A 9 7.574 48.553 3.558 1.00 0.00 H new ATOM 0 HB2 PHE A 9 6.357 45.772 3.770 1.00 0.00 H new ATOM 0 HB3 PHE A 9 8.022 46.086 4.218 1.00 0.00 H new ATOM 0 HD1 PHE A 9 8.541 47.743 6.054 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.519 46.529 5.150 1.00 0.00 H new ATOM 0 HE1 PHE A 9 7.783 48.613 8.251 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.766 47.395 7.348 1.00 0.00 H new ATOM 0 HZ PHE A 9 5.397 48.433 8.900 1.00 0.00 H new ATOM 134 N THR A 10 9.219 47.553 1.911 1.00 0.00 N ATOM 135 CA THR A 10 10.098 47.202 0.798 1.00 0.00 C ATOM 136 C THR A 10 10.556 45.754 0.901 1.00 0.00 C ATOM 137 O THR A 10 10.467 45.140 1.962 1.00 0.00 O ATOM 138 CB THR A 10 11.324 48.117 0.792 1.00 0.00 C ATOM 139 OG1 THR A 10 12.049 47.940 2.000 1.00 0.00 O ATOM 140 CG2 THR A 10 10.882 49.578 0.663 1.00 0.00 C ATOM 0 H THR A 10 9.681 48.034 2.683 1.00 0.00 H new ATOM 0 HA THR A 10 9.537 47.329 -0.128 1.00 0.00 H new ATOM 0 HB THR A 10 11.961 47.863 -0.055 1.00 0.00 H new ATOM 0 HG1 THR A 10 12.836 48.524 1.998 1.00 0.00 H new ATOM 0 HG21 THR A 10 11.759 50.225 0.659 1.00 0.00 H new ATOM 0 HG22 THR A 10 10.330 49.710 -0.267 1.00 0.00 H new ATOM 0 HG23 THR A 10 10.242 49.840 1.505 1.00 0.00 H new ATOM 148 N ASP A 11 11.053 45.211 -0.206 1.00 0.00 N ATOM 149 CA ASP A 11 11.525 43.833 -0.207 1.00 0.00 C ATOM 150 C ASP A 11 12.574 43.641 0.877 1.00 0.00 C ATOM 151 O ASP A 11 12.560 42.645 1.598 1.00 0.00 O ATOM 152 CB ASP A 11 12.136 43.482 -1.565 1.00 0.00 C ATOM 153 CG ASP A 11 11.054 43.464 -2.637 1.00 0.00 C ATOM 154 OD1 ASP A 11 9.889 43.478 -2.275 1.00 0.00 O1- ATOM 155 OD2 ASP A 11 11.406 43.432 -3.805 1.00 0.00 O ATOM 0 H ASP A 11 11.138 45.695 -1.100 1.00 0.00 H new ATOM 0 HA ASP A 11 10.676 43.178 -0.014 1.00 0.00 H new ATOM 0 HB2 ASP A 11 12.905 44.209 -1.826 1.00 0.00 H new ATOM 0 HB3 ASP A 11 12.623 42.508 -1.513 1.00 0.00 H new ATOM 160 N ASP A 12 13.482 44.607 0.993 1.00 0.00 N ATOM 161 CA ASP A 12 14.532 44.530 2.001 1.00 0.00 C ATOM 162 C ASP A 12 13.925 44.516 3.396 1.00 0.00 C ATOM 163 O ASP A 12 14.283 43.688 4.233 1.00 0.00 O ATOM 164 CB ASP A 12 15.477 45.723 1.863 1.00 0.00 C ATOM 165 CG ASP A 12 16.215 45.645 0.533 1.00 0.00 C ATOM 166 OD1 ASP A 12 16.275 44.561 -0.024 1.00 0.00 O1- ATOM 167 OD2 ASP A 12 16.711 46.668 0.091 1.00 0.00 O ATOM 0 H ASP A 12 13.511 45.442 0.408 1.00 0.00 H new ATOM 0 HA ASP A 12 15.093 43.608 1.850 1.00 0.00 H new ATOM 0 HB2 ASP A 12 14.913 46.654 1.923 1.00 0.00 H new ATOM 0 HB3 ASP A 12 16.192 45.730 2.686 1.00 0.00 H new ATOM 172 N GLU A 13 12.984 45.422 3.629 1.00 0.00 N ATOM 173 CA GLU A 13 12.310 45.499 4.918 1.00 0.00 C ATOM 174 C GLU A 13 11.507 44.231 5.146 1.00 0.00 C ATOM 175 O GLU A 13 11.484 43.671 6.244 1.00 0.00 O ATOM 176 CB GLU A 13 11.364 46.698 4.929 1.00 0.00 C ATOM 177 CG GLU A 13 12.173 47.995 4.922 1.00 0.00 C ATOM 178 CD GLU A 13 12.989 48.095 6.205 1.00 0.00 C ATOM 179 OE1 GLU A 13 12.643 47.413 7.155 1.00 0.00 O ATOM 180 OE2 GLU A 13 13.948 48.848 6.218 1.00 0.00 O1- ATOM 0 H GLU A 13 12.671 46.111 2.945 1.00 0.00 H new ATOM 0 HA GLU A 13 13.054 45.611 5.707 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.708 46.663 4.059 1.00 0.00 H new ATOM 0 HB3 GLU A 13 10.726 46.661 5.812 1.00 0.00 H new ATOM 0 HG2 GLU A 13 12.834 48.018 4.056 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.505 48.852 4.836 1.00 0.00 H new ATOM 187 N TRP A 14 10.850 43.788 4.089 1.00 0.00 N ATOM 188 CA TRP A 14 10.042 42.595 4.153 1.00 0.00 C ATOM 189 C TRP A 14 10.924 41.393 4.476 1.00 0.00 C ATOM 190 O TRP A 14 10.595 40.596 5.352 1.00 0.00 O ATOM 191 CB TRP A 14 9.328 42.419 2.816 1.00 0.00 C ATOM 192 CG TRP A 14 8.052 41.675 3.012 1.00 0.00 C ATOM 193 CD1 TRP A 14 7.692 40.585 2.307 1.00 0.00 C ATOM 194 CD2 TRP A 14 6.960 41.944 3.946 1.00 0.00 C ATOM 195 NE1 TRP A 14 6.457 40.149 2.751 1.00 0.00 N ATOM 196 CE2 TRP A 14 5.965 40.955 3.761 1.00 0.00 C ATOM 197 CE3 TRP A 14 6.736 42.933 4.928 1.00 0.00 C ATOM 198 CZ2 TRP A 14 4.796 40.942 4.519 1.00 0.00 C ATOM 199 CZ3 TRP A 14 5.557 42.922 5.691 1.00 0.00 C ATOM 200 CH2 TRP A 14 4.591 41.928 5.488 1.00 0.00 C ATOM 0 H TRP A 14 10.864 44.242 3.176 1.00 0.00 H new ATOM 0 HA TRP A 14 9.295 42.680 4.942 1.00 0.00 H new ATOM 0 HB2 TRP A 14 9.125 43.394 2.372 1.00 0.00 H new ATOM 0 HB3 TRP A 14 9.970 41.879 2.120 1.00 0.00 H new ATOM 0 HD1 TRP A 14 8.274 40.126 1.522 1.00 0.00 H new ATOM 0 HE1 TRP A 14 5.969 39.334 2.379 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.475 43.703 5.094 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 4.053 40.175 4.359 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 5.394 43.684 6.439 1.00 0.00 H new ATOM 0 HH2 TRP A 14 3.688 41.924 6.080 1.00 0.00 H new ATOM 211 N ASN A 15 12.047 41.265 3.777 1.00 0.00 N ATOM 212 CA ASN A 15 12.957 40.149 4.019 1.00 0.00 C ATOM 213 C ASN A 15 13.361 40.070 5.493 1.00 0.00 C ATOM 214 O ASN A 15 13.443 38.980 6.068 1.00 0.00 O ATOM 215 CB ASN A 15 14.212 40.316 3.160 1.00 0.00 C ATOM 216 CG ASN A 15 13.889 40.061 1.693 1.00 0.00 C ATOM 217 OD1 ASN A 15 12.926 39.361 1.380 1.00 0.00 O ATOM 218 ND2 ASN A 15 14.640 40.594 0.768 1.00 0.00 N ATOM 0 H ASN A 15 12.347 41.911 3.047 1.00 0.00 H new ATOM 0 HA ASN A 15 12.440 39.227 3.754 1.00 0.00 H new ATOM 0 HB2 ASN A 15 14.612 41.323 3.281 1.00 0.00 H new ATOM 0 HB3 ASN A 15 14.984 39.623 3.495 1.00 0.00 H new ATOM 0 HD21 ASN A 15 14.429 40.431 -0.217 1.00 0.00 H new ATOM 0 HD22 ASN A 15 15.437 41.174 1.030 1.00 0.00 H new ATOM 225 N GLN A 16 13.588 41.226 6.106 1.00 0.00 N ATOM 226 CA GLN A 16 13.956 41.252 7.516 1.00 0.00 C ATOM 227 C GLN A 16 12.790 40.743 8.347 1.00 0.00 C ATOM 228 O GLN A 16 12.965 39.967 9.287 1.00 0.00 O ATOM 229 CB GLN A 16 14.335 42.669 7.948 1.00 0.00 C ATOM 230 CG GLN A 16 15.755 42.983 7.472 1.00 0.00 C ATOM 231 CD GLN A 16 15.972 42.439 6.061 1.00 0.00 C ATOM 232 OE1 GLN A 16 15.850 41.237 5.832 1.00 0.00 O ATOM 233 NE2 GLN A 16 16.298 43.257 5.095 1.00 0.00 N ATOM 0 H GLN A 16 13.525 42.141 5.659 1.00 0.00 H new ATOM 0 HA GLN A 16 14.822 40.608 7.671 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.632 43.389 7.529 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.275 42.759 9.033 1.00 0.00 H new ATOM 0 HG2 GLN A 16 15.920 44.060 7.483 1.00 0.00 H new ATOM 0 HG3 GLN A 16 16.481 42.542 8.155 1.00 0.00 H new ATOM 0 HE21 GLN A 16 16.399 44.254 5.284 1.00 0.00 H new ATOM 0 HE22 GLN A 16 16.451 42.898 4.153 1.00 0.00 H new ATOM 242 N LEU A 17 11.595 41.179 7.975 1.00 0.00 N ATOM 243 CA LEU A 17 10.385 40.759 8.664 1.00 0.00 C ATOM 244 C LEU A 17 10.227 39.245 8.562 1.00 0.00 C ATOM 245 O LEU A 17 9.749 38.596 9.491 1.00 0.00 O ATOM 246 CB LEU A 17 9.172 41.446 8.032 1.00 0.00 C ATOM 247 CG LEU A 17 7.894 41.005 8.748 1.00 0.00 C ATOM 248 CD1 LEU A 17 7.784 41.730 10.087 1.00 0.00 C ATOM 249 CD2 LEU A 17 6.678 41.357 7.887 1.00 0.00 C ATOM 0 H LEU A 17 11.438 41.823 7.200 1.00 0.00 H new ATOM 0 HA LEU A 17 10.456 41.040 9.715 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.281 42.529 8.097 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.111 41.195 6.973 1.00 0.00 H new ATOM 0 HG LEU A 17 7.928 39.928 8.914 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.873 41.416 10.597 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.648 41.487 10.705 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.751 42.806 9.917 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.768 41.043 8.397 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.648 42.434 7.722 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.751 40.845 6.927 1.00 0.00 H new ATOM 261 N LYS A 18 10.632 38.689 7.423 1.00 0.00 N ATOM 262 CA LYS A 18 10.530 37.249 7.207 1.00 0.00 C ATOM 263 C LYS A 18 11.364 36.478 8.217 1.00 0.00 C ATOM 264 O LYS A 18 10.877 35.531 8.833 1.00 0.00 O ATOM 265 CB LYS A 18 10.992 36.906 5.794 1.00 0.00 C ATOM 266 CG LYS A 18 10.012 37.510 4.792 1.00 0.00 C ATOM 267 CD LYS A 18 10.458 37.176 3.374 1.00 0.00 C ATOM 268 CE LYS A 18 9.707 38.065 2.388 1.00 0.00 C ATOM 269 NZ LYS A 18 9.172 37.233 1.275 1.00 0.00 N1+ ATOM 0 H LYS A 18 11.031 39.209 6.641 1.00 0.00 H new ATOM 0 HA LYS A 18 9.487 36.961 7.336 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.995 37.295 5.621 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.043 35.825 5.666 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.009 37.121 4.969 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.963 38.591 4.923 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.533 37.328 3.273 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.263 36.126 3.157 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.891 38.580 2.895 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.373 38.833 1.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.193 37.517 1.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.758 37.370 0.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.191 36.230 1.551 1.00 0.00 H new ATOM 283 N GLN A 19 12.618 36.883 8.404 1.00 0.00 N ATOM 284 CA GLN A 19 13.464 36.187 9.366 1.00 0.00 C ATOM 285 C GLN A 19 12.853 36.285 10.751 1.00 0.00 C ATOM 286 O GLN A 19 12.895 35.332 11.525 1.00 0.00 O ATOM 287 CB GLN A 19 14.875 36.776 9.389 1.00 0.00 C ATOM 288 CG GLN A 19 15.723 36.104 8.309 1.00 0.00 C ATOM 289 CD GLN A 19 15.116 36.367 6.938 1.00 0.00 C ATOM 290 OE1 GLN A 19 15.371 37.408 6.336 1.00 0.00 O ATOM 291 NE2 GLN A 19 14.316 35.482 6.407 1.00 0.00 N ATOM 0 H GLN A 19 13.059 37.664 7.919 1.00 0.00 H new ATOM 0 HA GLN A 19 13.532 35.142 9.064 1.00 0.00 H new ATOM 0 HB2 GLN A 19 14.835 37.852 9.218 1.00 0.00 H new ATOM 0 HB3 GLN A 19 15.328 36.625 10.369 1.00 0.00 H new ATOM 0 HG2 GLN A 19 16.743 36.486 8.345 1.00 0.00 H new ATOM 0 HG3 GLN A 19 15.778 35.031 8.493 1.00 0.00 H new ATOM 0 HE21 GLN A 19 14.106 34.619 6.908 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.901 35.654 5.491 1.00 0.00 H new ATOM 300 N ASP A 20 12.295 37.445 11.066 1.00 0.00 N ATOM 301 CA ASP A 20 11.692 37.656 12.369 1.00 0.00 C ATOM 302 C ASP A 20 10.569 36.656 12.619 1.00 0.00 C ATOM 303 O ASP A 20 10.477 36.081 13.704 1.00 0.00 O ATOM 304 CB ASP A 20 11.148 39.080 12.442 1.00 0.00 C ATOM 305 CG ASP A 20 12.303 40.071 12.354 1.00 0.00 C ATOM 306 OD1 ASP A 20 13.441 39.630 12.408 1.00 0.00 O1- ATOM 307 OD2 ASP A 20 12.036 41.254 12.228 1.00 0.00 O ATOM 0 H ASP A 20 12.248 38.249 10.440 1.00 0.00 H new ATOM 0 HA ASP A 20 12.451 37.509 13.137 1.00 0.00 H new ATOM 0 HB2 ASP A 20 10.443 39.253 11.629 1.00 0.00 H new ATOM 0 HB3 ASP A 20 10.601 39.224 13.374 1.00 0.00 H new ATOM 312 N PHE A 21 9.726 36.429 11.617 1.00 0.00 N ATOM 313 CA PHE A 21 8.641 35.474 11.777 1.00 0.00 C ATOM 314 C PHE A 21 9.225 34.072 11.882 1.00 0.00 C ATOM 315 O PHE A 21 8.876 33.302 12.776 1.00 0.00 O ATOM 316 CB PHE A 21 7.675 35.548 10.589 1.00 0.00 C ATOM 317 CG PHE A 21 6.856 36.827 10.639 1.00 0.00 C ATOM 318 CD1 PHE A 21 7.237 37.895 11.469 1.00 0.00 C ATOM 319 CD2 PHE A 21 5.709 36.946 9.841 1.00 0.00 C ATOM 320 CE1 PHE A 21 6.476 39.069 11.496 1.00 0.00 C ATOM 321 CE2 PHE A 21 4.949 38.123 9.873 1.00 0.00 C ATOM 322 CZ PHE A 21 5.333 39.184 10.700 1.00 0.00 C ATOM 0 H PHE A 21 9.772 36.883 10.705 1.00 0.00 H new ATOM 0 HA PHE A 21 8.086 35.714 12.684 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.236 35.506 9.655 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.010 34.684 10.601 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.119 37.810 12.087 1.00 0.00 H new ATOM 0 HD2 PHE A 21 5.411 36.129 9.201 1.00 0.00 H new ATOM 0 HE1 PHE A 21 6.773 39.889 12.134 1.00 0.00 H new ATOM 0 HE2 PHE A 21 4.065 38.211 9.258 1.00 0.00 H new ATOM 0 HZ PHE A 21 4.747 40.091 10.723 1.00 0.00 H new ATOM 332 N ILE A 22 10.139 33.759 10.973 1.00 0.00 N ATOM 333 CA ILE A 22 10.796 32.461 10.980 1.00 0.00 C ATOM 334 C ILE A 22 11.513 32.257 12.312 1.00 0.00 C ATOM 335 O ILE A 22 11.394 31.208 12.944 1.00 0.00 O ATOM 336 CB ILE A 22 11.789 32.390 9.819 1.00 0.00 C ATOM 337 CG1 ILE A 22 11.018 32.531 8.503 1.00 0.00 C ATOM 338 CG2 ILE A 22 12.520 31.047 9.844 1.00 0.00 C ATOM 339 CD1 ILE A 22 11.995 32.668 7.331 1.00 0.00 C ATOM 0 H ILE A 22 10.440 34.384 10.225 1.00 0.00 H new ATOM 0 HA ILE A 22 10.055 31.671 10.859 1.00 0.00 H new ATOM 0 HB ILE A 22 12.521 33.193 9.910 1.00 0.00 H new ATOM 0 HG12 ILE A 22 10.378 31.662 8.353 1.00 0.00 H new ATOM 0 HG13 ILE A 22 10.366 33.403 8.547 1.00 0.00 H new ATOM 0 HG21 ILE A 22 13.226 31.002 9.015 1.00 0.00 H new ATOM 0 HG22 ILE A 22 13.059 30.944 10.786 1.00 0.00 H new ATOM 0 HG23 ILE A 22 11.797 30.237 9.749 1.00 0.00 H new ATOM 0 HD11 ILE A 22 11.436 32.768 6.401 1.00 0.00 H new ATOM 0 HD12 ILE A 22 12.617 33.551 7.477 1.00 0.00 H new ATOM 0 HD13 ILE A 22 12.629 31.783 7.280 1.00 0.00 H new ATOM 351 N SER A 23 12.249 33.281 12.733 1.00 0.00 N ATOM 352 CA SER A 23 12.973 33.221 13.993 1.00 0.00 C ATOM 353 C SER A 23 12.004 32.908 15.127 1.00 0.00 C ATOM 354 O SER A 23 12.265 32.049 15.964 1.00 0.00 O ATOM 355 CB SER A 23 13.668 34.556 14.263 1.00 0.00 C ATOM 356 OG SER A 23 14.604 34.823 13.224 1.00 0.00 O ATOM 0 H SER A 23 12.358 34.157 12.222 1.00 0.00 H new ATOM 0 HA SER A 23 13.726 32.435 13.933 1.00 0.00 H new ATOM 0 HB2 SER A 23 12.931 35.357 14.318 1.00 0.00 H new ATOM 0 HB3 SER A 23 14.177 34.525 15.226 1.00 0.00 H new ATOM 0 HG SER A 23 14.142 34.823 12.360 1.00 0.00 H new ATOM 362 N GLY A 24 10.871 33.604 15.136 1.00 0.00 N ATOM 363 CA GLY A 24 9.861 33.385 16.162 1.00 0.00 C ATOM 364 C GLY A 24 9.377 31.937 16.150 1.00 0.00 C ATOM 365 O GLY A 24 9.052 31.376 17.195 1.00 0.00 O ATOM 0 H GLY A 24 10.632 34.319 14.449 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.274 33.627 17.142 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.018 34.056 15.997 1.00 0.00 H new ATOM 369 N ILE A 25 9.336 31.329 14.966 1.00 0.00 N ATOM 370 CA ILE A 25 8.888 29.942 14.849 1.00 0.00 C ATOM 371 C ILE A 25 9.938 28.995 15.422 1.00 0.00 C ATOM 372 O ILE A 25 9.602 28.000 16.065 1.00 0.00 O ATOM 373 CB ILE A 25 8.628 29.598 13.379 1.00 0.00 C ATOM 374 CG1 ILE A 25 7.494 30.477 12.833 1.00 0.00 C ATOM 375 CG2 ILE A 25 8.243 28.124 13.251 1.00 0.00 C ATOM 376 CD1 ILE A 25 6.137 30.006 13.381 1.00 0.00 C ATOM 0 H ILE A 25 9.604 31.767 14.085 1.00 0.00 H new ATOM 0 HA ILE A 25 7.963 29.826 15.414 1.00 0.00 H new ATOM 0 HB ILE A 25 9.535 29.783 12.804 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.665 31.517 13.113 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.487 30.437 11.744 1.00 0.00 H new ATOM 0 HG21 ILE A 25 8.059 27.886 12.203 1.00 0.00 H new ATOM 0 HG22 ILE A 25 9.055 27.502 13.628 1.00 0.00 H new ATOM 0 HG23 ILE A 25 7.340 27.932 13.830 1.00 0.00 H new ATOM 0 HD11 ILE A 25 5.344 30.640 12.984 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.961 28.973 13.079 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.142 30.070 14.469 1.00 0.00 H new ATOM 388 N LEU A 26 11.210 29.316 15.197 1.00 0.00 N ATOM 389 CA LEU A 26 12.297 28.489 15.716 1.00 0.00 C ATOM 390 C LEU A 26 12.539 28.814 17.188 1.00 0.00 C ATOM 391 O LEU A 26 12.895 27.941 17.978 1.00 0.00 O ATOM 392 CB LEU A 26 13.577 28.704 14.894 1.00 0.00 C ATOM 393 CG LEU A 26 14.525 29.679 15.609 1.00 0.00 C ATOM 394 CD1 LEU A 26 15.275 28.942 16.723 1.00 0.00 C ATOM 395 CD2 LEU A 26 15.541 30.238 14.603 1.00 0.00 C ATOM 0 H LEU A 26 11.511 30.133 14.665 1.00 0.00 H new ATOM 0 HA LEU A 26 12.014 27.440 15.632 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.079 27.749 14.738 1.00 0.00 H new ATOM 0 HB3 LEU A 26 13.321 29.094 13.909 1.00 0.00 H new ATOM 0 HG LEU A 26 13.944 30.496 16.037 1.00 0.00 H new ATOM 0 HD11 LEU A 26 15.947 29.635 17.229 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.559 28.542 17.441 1.00 0.00 H new ATOM 0 HD13 LEU A 26 15.853 28.124 16.293 1.00 0.00 H new ATOM 0 HD21 LEU A 26 16.213 30.930 15.111 1.00 0.00 H new ATOM 0 HD22 LEU A 26 16.119 29.418 14.176 1.00 0.00 H new ATOM 0 HD23 LEU A 26 15.013 30.764 13.807 1.00 0.00 H new ATOM 407 N GLU A 27 12.327 30.076 17.546 1.00 0.00 N ATOM 408 CA GLU A 27 12.503 30.518 18.923 1.00 0.00 C ATOM 409 C GLU A 27 11.376 29.988 19.804 1.00 0.00 C ATOM 410 O GLU A 27 11.575 29.715 20.987 1.00 0.00 O ATOM 411 CB GLU A 27 12.522 32.050 18.979 1.00 0.00 C ATOM 412 CG GLU A 27 13.833 32.572 18.385 1.00 0.00 C ATOM 413 CD GLU A 27 15.016 32.047 19.190 1.00 0.00 C ATOM 414 OE1 GLU A 27 14.908 32.006 20.404 1.00 0.00 O ATOM 415 OE2 GLU A 27 16.011 31.690 18.581 1.00 0.00 O1- ATOM 0 H GLU A 27 12.033 30.810 16.901 1.00 0.00 H new ATOM 0 HA GLU A 27 13.451 30.128 19.294 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.674 32.454 18.426 1.00 0.00 H new ATOM 0 HB3 GLU A 27 12.419 32.387 20.010 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.922 32.257 17.345 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.835 33.662 18.389 1.00 0.00 H new ATOM 422 N ASN A 28 10.187 29.850 19.223 1.00 0.00 N ATOM 423 CA ASN A 28 9.037 29.361 19.972 1.00 0.00 C ATOM 424 C ASN A 28 8.855 27.852 19.797 1.00 0.00 C ATOM 425 O ASN A 28 9.463 27.231 18.926 1.00 0.00 O ATOM 426 CB ASN A 28 7.768 30.092 19.522 1.00 0.00 C ATOM 427 CG ASN A 28 7.404 29.686 18.096 1.00 0.00 C ATOM 428 OD1 ASN A 28 8.035 28.798 17.524 1.00 0.00 O ATOM 429 ND2 ASN A 28 6.421 30.291 17.487 1.00 0.00 N ATOM 0 H ASN A 28 9.997 30.068 18.245 1.00 0.00 H new ATOM 0 HA ASN A 28 9.218 29.560 21.028 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.945 29.856 20.197 1.00 0.00 H new ATOM 0 HB3 ASN A 28 7.923 31.170 19.573 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.173 30.028 16.533 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.901 31.027 17.965 1.00 0.00 H new ATOM 436 N GLU A 29 8.009 27.275 20.642 1.00 0.00 N ATOM 437 CA GLU A 29 7.729 25.840 20.601 1.00 0.00 C ATOM 438 C GLU A 29 7.238 25.410 19.220 1.00 0.00 C ATOM 439 O GLU A 29 7.442 24.267 18.808 1.00 0.00 O ATOM 440 CB GLU A 29 6.650 25.513 21.632 1.00 0.00 C ATOM 441 CG GLU A 29 6.490 23.997 21.761 1.00 0.00 C ATOM 442 CD GLU A 29 5.311 23.679 22.673 1.00 0.00 C ATOM 443 OE1 GLU A 29 4.663 24.615 23.117 1.00 0.00 O ATOM 444 OE2 GLU A 29 5.069 22.508 22.913 1.00 0.00 O1- ATOM 0 H GLU A 29 7.501 27.780 21.369 1.00 0.00 H new ATOM 0 HA GLU A 29 8.652 25.304 20.823 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.917 25.942 22.598 1.00 0.00 H new ATOM 0 HB3 GLU A 29 5.703 25.963 21.334 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.331 23.554 20.778 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.403 23.559 22.165 1.00 0.00 H new ATOM 451 N GLN A 30 6.564 26.323 18.527 1.00 0.00 N ATOM 452 CA GLN A 30 6.008 26.032 17.206 1.00 0.00 C ATOM 453 C GLN A 30 7.042 25.419 16.270 1.00 0.00 C ATOM 454 O GLN A 30 6.712 25.012 15.156 1.00 0.00 O ATOM 455 CB GLN A 30 5.462 27.313 16.581 1.00 0.00 C ATOM 456 CG GLN A 30 4.413 27.913 17.512 1.00 0.00 C ATOM 457 CD GLN A 30 3.471 28.794 16.711 1.00 0.00 C ATOM 458 OE1 GLN A 30 2.478 29.283 17.242 1.00 0.00 O ATOM 459 NE2 GLN A 30 3.720 29.019 15.451 1.00 0.00 N ATOM 0 H GLN A 30 6.389 27.272 18.857 1.00 0.00 H new ATOM 0 HA GLN A 30 5.207 25.306 17.344 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.270 28.025 16.416 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.022 27.099 15.607 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.853 27.119 18.007 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.897 28.497 18.295 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.546 28.611 15.014 1.00 0.00 H new ATOM 0 HE22 GLN A 30 3.089 29.603 14.903 1.00 0.00 H new ATOM 468 N LYS A 31 8.287 25.355 16.714 1.00 0.00 N ATOM 469 CA LYS A 31 9.340 24.786 15.884 1.00 0.00 C ATOM 470 C LYS A 31 8.995 23.359 15.474 1.00 0.00 C ATOM 471 O LYS A 31 9.189 22.969 14.323 1.00 0.00 O ATOM 472 CB LYS A 31 10.662 24.787 16.650 1.00 0.00 C ATOM 473 CG LYS A 31 11.796 24.379 15.708 1.00 0.00 C ATOM 474 CD LYS A 31 12.968 23.834 16.528 1.00 0.00 C ATOM 475 CE LYS A 31 13.721 24.992 17.184 1.00 0.00 C ATOM 476 NZ LYS A 31 14.821 25.431 16.282 1.00 0.00 N1+ ATOM 0 H LYS A 31 8.592 25.684 17.630 1.00 0.00 H new ATOM 0 HA LYS A 31 9.434 25.396 14.986 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.855 25.777 17.062 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.608 24.097 17.492 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.446 23.622 15.006 1.00 0.00 H new ATOM 0 HG3 LYS A 31 12.119 25.236 15.117 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.602 23.147 17.291 1.00 0.00 H new ATOM 0 HD3 LYS A 31 13.642 23.267 15.885 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.040 25.821 17.378 1.00 0.00 H new ATOM 0 HE3 LYS A 31 14.126 24.680 18.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 15.400 26.148 16.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 15.416 24.614 16.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 14.417 25.838 15.414 1.00 0.00 H new ATOM 490 N ASP A 32 8.483 22.580 16.417 1.00 0.00 N ATOM 491 CA ASP A 32 8.120 21.198 16.127 1.00 0.00 C ATOM 492 C ASP A 32 7.012 21.134 15.084 1.00 0.00 C ATOM 493 O ASP A 32 7.060 20.318 14.165 1.00 0.00 O ATOM 494 CB ASP A 32 7.663 20.495 17.404 1.00 0.00 C ATOM 495 CG ASP A 32 7.260 19.059 17.090 1.00 0.00 C ATOM 496 OD1 ASP A 32 7.496 18.628 15.974 1.00 0.00 O ATOM 497 OD2 ASP A 32 6.718 18.412 17.971 1.00 0.00 O1- ATOM 0 H ASP A 32 8.311 22.875 17.378 1.00 0.00 H new ATOM 0 HA ASP A 32 9.001 20.693 15.731 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.466 20.504 18.141 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.821 21.030 17.843 1.00 0.00 H new ATOM 502 N LEU A 33 6.015 21.996 15.230 1.00 0.00 N ATOM 503 CA LEU A 33 4.902 22.015 14.288 1.00 0.00 C ATOM 504 C LEU A 33 5.398 22.329 12.890 1.00 0.00 C ATOM 505 O LEU A 33 4.979 21.714 11.910 1.00 0.00 O ATOM 506 CB LEU A 33 3.885 23.074 14.698 1.00 0.00 C ATOM 507 CG LEU A 33 2.608 22.892 13.876 1.00 0.00 C ATOM 508 CD1 LEU A 33 2.001 21.521 14.180 1.00 0.00 C ATOM 509 CD2 LEU A 33 1.604 23.982 14.250 1.00 0.00 C ATOM 0 H LEU A 33 5.953 22.683 15.981 1.00 0.00 H new ATOM 0 HA LEU A 33 4.433 21.031 14.296 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.662 22.988 15.762 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.296 24.071 14.538 1.00 0.00 H new ATOM 0 HG LEU A 33 2.845 22.961 12.814 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.091 21.388 13.595 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.716 20.741 13.920 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.763 21.456 15.242 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.693 23.854 13.665 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.367 23.910 15.311 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.035 24.961 14.041 1.00 0.00 H new ATOM 521 N VAL A 34 6.296 23.297 12.810 1.00 0.00 N ATOM 522 CA VAL A 34 6.849 23.698 11.529 1.00 0.00 C ATOM 523 C VAL A 34 7.709 22.579 10.949 1.00 0.00 C ATOM 524 O VAL A 34 7.696 22.335 9.743 1.00 0.00 O ATOM 525 CB VAL A 34 7.656 24.993 11.699 1.00 0.00 C ATOM 526 CG1 VAL A 34 9.145 24.743 11.453 1.00 0.00 C ATOM 527 CG2 VAL A 34 7.154 26.041 10.705 1.00 0.00 C ATOM 0 H VAL A 34 6.655 23.816 13.611 1.00 0.00 H new ATOM 0 HA VAL A 34 6.037 23.888 10.827 1.00 0.00 H new ATOM 0 HB VAL A 34 7.524 25.349 12.721 1.00 0.00 H new ATOM 0 HG11 VAL A 34 9.696 25.675 11.579 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.513 24.005 12.166 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.289 24.371 10.439 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.727 26.961 10.825 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.278 25.667 9.689 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.099 26.243 10.891 1.00 0.00 H new ATOM 537 N ALA A 35 8.446 21.892 11.816 1.00 0.00 N ATOM 538 CA ALA A 35 9.292 20.793 11.369 1.00 0.00 C ATOM 539 C ALA A 35 8.428 19.692 10.766 1.00 0.00 C ATOM 540 O ALA A 35 8.774 19.106 9.739 1.00 0.00 O ATOM 541 CB ALA A 35 10.093 20.235 12.546 1.00 0.00 C ATOM 0 H ALA A 35 8.475 22.074 12.819 1.00 0.00 H new ATOM 0 HA ALA A 35 9.985 21.163 10.613 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.722 19.414 12.201 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.720 21.022 12.965 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.408 19.871 13.312 1.00 0.00 H new ATOM 689 N ASN A 45 12.221 25.903 6.924 1.00 0.00 N ATOM 690 CA ASN A 45 11.019 25.084 6.885 1.00 0.00 C ATOM 691 C ASN A 45 9.955 25.679 5.981 1.00 0.00 C ATOM 692 O ASN A 45 9.287 26.644 6.350 1.00 0.00 O ATOM 693 CB ASN A 45 10.434 24.947 8.286 1.00 0.00 C ATOM 694 CG ASN A 45 11.505 24.483 9.262 1.00 0.00 C ATOM 695 OD1 ASN A 45 11.565 24.966 10.392 1.00 0.00 O ATOM 696 ND2 ASN A 45 12.360 23.570 8.894 1.00 0.00 N ATOM 0 HA ASN A 45 11.310 24.110 6.491 1.00 0.00 H new ATOM 0 HB2 ASN A 45 10.025 25.903 8.612 1.00 0.00 H new ATOM 0 HB3 ASN A 45 9.609 24.235 8.275 1.00 0.00 H new ATOM 0 HD21 ASN A 45 13.081 23.255 9.543 1.00 0.00 H new ATOM 0 HD22 ASN A 45 12.308 23.171 7.957 1.00 0.00 H new ATOM 703 N GLN A 46 9.815 25.107 4.793 1.00 0.00 N ATOM 704 CA GLN A 46 8.826 25.583 3.837 1.00 0.00 C ATOM 705 C GLN A 46 8.899 27.101 3.711 1.00 0.00 C ATOM 706 O GLN A 46 7.879 27.783 3.638 1.00 0.00 O ATOM 707 CB GLN A 46 7.419 25.155 4.274 1.00 0.00 C ATOM 708 CG GLN A 46 7.036 25.842 5.593 1.00 0.00 C ATOM 709 CD GLN A 46 5.543 25.696 5.849 1.00 0.00 C ATOM 710 OE1 GLN A 46 4.703 25.938 4.884 1.00 0.00 O flip ATOM 711 NE2 GLN A 46 5.131 25.354 6.958 1.00 0.00 N flip ATOM 0 H GLN A 46 10.372 24.316 4.469 1.00 0.00 H new ATOM 0 HA GLN A 46 9.041 25.142 2.864 1.00 0.00 H new ATOM 0 HB2 GLN A 46 6.697 25.412 3.499 1.00 0.00 H new ATOM 0 HB3 GLN A 46 7.383 24.073 4.396 1.00 0.00 H new ATOM 0 HG2 GLN A 46 7.598 25.402 6.417 1.00 0.00 H new ATOM 0 HG3 GLN A 46 7.304 26.898 5.552 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.792 25.165 7.712 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.129 25.259 7.123 1.00 0.00 H new ATOM 720 N LEU A 47 10.123 27.616 3.688 1.00 0.00 N ATOM 721 CA LEU A 47 10.328 29.052 3.573 1.00 0.00 C ATOM 722 C LEU A 47 9.634 29.591 2.325 1.00 0.00 C ATOM 723 O LEU A 47 8.986 30.635 2.368 1.00 0.00 O ATOM 724 CB LEU A 47 11.824 29.374 3.530 1.00 0.00 C ATOM 725 CG LEU A 47 12.481 28.970 4.855 1.00 0.00 C ATOM 726 CD1 LEU A 47 13.929 29.463 4.875 1.00 0.00 C ATOM 727 CD2 LEU A 47 11.722 29.601 6.027 1.00 0.00 C ATOM 0 H LEU A 47 10.980 27.066 3.747 1.00 0.00 H new ATOM 0 HA LEU A 47 9.893 29.535 4.448 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.296 28.843 2.703 1.00 0.00 H new ATOM 0 HB3 LEU A 47 11.971 30.439 3.351 1.00 0.00 H new ATOM 0 HG LEU A 47 12.456 27.884 4.949 1.00 0.00 H new ATOM 0 HD11 LEU A 47 14.398 29.177 5.816 1.00 0.00 H new ATOM 0 HD12 LEU A 47 14.477 29.016 4.046 1.00 0.00 H new ATOM 0 HD13 LEU A 47 13.945 30.548 4.777 1.00 0.00 H new ATOM 0 HD21 LEU A 47 12.194 29.310 6.965 1.00 0.00 H new ATOM 0 HD22 LEU A 47 11.743 30.687 5.932 1.00 0.00 H new ATOM 0 HD23 LEU A 47 10.688 29.256 6.019 1.00 0.00 H new ATOM 739 N ASP A 48 9.763 28.878 1.216 1.00 0.00 N ATOM 740 CA ASP A 48 9.128 29.319 -0.017 1.00 0.00 C ATOM 741 C ASP A 48 7.622 29.457 0.180 1.00 0.00 C ATOM 742 O ASP A 48 7.032 30.469 -0.203 1.00 0.00 O ATOM 743 CB ASP A 48 9.406 28.315 -1.127 1.00 0.00 C ATOM 744 CG ASP A 48 10.892 28.322 -1.457 1.00 0.00 C ATOM 745 OD1 ASP A 48 11.457 29.401 -1.526 1.00 0.00 O ATOM 746 OD2 ASP A 48 11.447 27.249 -1.624 1.00 0.00 O1- ATOM 0 H ASP A 48 10.291 28.008 1.143 1.00 0.00 H new ATOM 0 HA ASP A 48 9.539 30.290 -0.292 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.096 27.317 -0.816 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.824 28.567 -2.014 1.00 0.00 H new ATOM 751 N LEU A 49 7.004 28.458 0.809 1.00 0.00 N ATOM 752 CA LEU A 49 5.571 28.523 1.069 1.00 0.00 C ATOM 753 C LEU A 49 5.299 29.655 2.044 1.00 0.00 C ATOM 754 O LEU A 49 4.305 30.371 1.933 1.00 0.00 O ATOM 755 CB LEU A 49 5.074 27.206 1.667 1.00 0.00 C ATOM 756 CG LEU A 49 5.393 26.051 0.716 1.00 0.00 C ATOM 757 CD1 LEU A 49 4.669 24.791 1.189 1.00 0.00 C ATOM 758 CD2 LEU A 49 4.927 26.408 -0.698 1.00 0.00 C ATOM 0 H LEU A 49 7.464 27.611 1.141 1.00 0.00 H new ATOM 0 HA LEU A 49 5.045 28.699 0.131 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.547 27.034 2.634 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.999 27.258 1.842 1.00 0.00 H new ATOM 0 HG LEU A 49 6.468 25.873 0.708 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.895 23.966 0.513 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.001 24.537 2.195 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.594 24.970 1.196 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.155 25.585 -1.375 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.852 26.587 -0.693 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.442 27.308 -1.035 1.00 0.00 H new ATOM 770 N LEU A 50 6.204 29.789 3.008 1.00 0.00 N ATOM 771 CA LEU A 50 6.087 30.821 4.027 1.00 0.00 C ATOM 772 C LEU A 50 6.039 32.183 3.356 1.00 0.00 C ATOM 773 O LEU A 50 5.221 33.031 3.708 1.00 0.00 O ATOM 774 CB LEU A 50 7.305 30.753 4.956 1.00 0.00 C ATOM 775 CG LEU A 50 6.957 31.321 6.334 1.00 0.00 C ATOM 776 CD1 LEU A 50 8.192 31.269 7.231 1.00 0.00 C ATOM 777 CD2 LEU A 50 6.498 32.772 6.199 1.00 0.00 C ATOM 0 H LEU A 50 7.027 29.194 3.103 1.00 0.00 H new ATOM 0 HA LEU A 50 5.177 30.667 4.606 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.638 29.720 5.055 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.133 31.314 4.523 1.00 0.00 H new ATOM 0 HG LEU A 50 6.155 30.727 6.772 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.946 31.673 8.213 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.522 30.235 7.336 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.991 31.861 6.785 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.252 33.169 7.184 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.297 33.367 5.757 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.616 32.817 5.559 1.00 0.00 H new ATOM 789 N HIS A 51 6.921 32.386 2.385 1.00 0.00 N ATOM 790 CA HIS A 51 6.982 33.645 1.664 1.00 0.00 C ATOM 791 C HIS A 51 5.642 33.973 1.010 1.00 0.00 C ATOM 792 O HIS A 51 5.150 35.092 1.136 1.00 0.00 O ATOM 793 CB HIS A 51 8.093 33.562 0.614 1.00 0.00 C ATOM 794 CG HIS A 51 9.405 33.450 1.341 1.00 0.00 C ATOM 795 ND1 HIS A 51 9.636 34.135 2.517 1.00 0.00 N ATOM 796 CD2 HIS A 51 10.555 32.740 1.089 1.00 0.00 C ATOM 797 CE1 HIS A 51 10.879 33.833 2.929 1.00 0.00 C ATOM 798 NE2 HIS A 51 11.484 32.987 2.096 1.00 0.00 N ATOM 0 H HIS A 51 7.604 31.692 2.081 1.00 0.00 H new ATOM 0 HA HIS A 51 7.203 34.449 2.367 1.00 0.00 H new ATOM 0 HB2 HIS A 51 7.941 32.700 -0.035 1.00 0.00 H new ATOM 0 HB3 HIS A 51 8.083 34.446 -0.023 1.00 0.00 H new ATOM 0 HD2 HIS A 51 10.713 32.091 0.241 1.00 0.00 H new ATOM 0 HE1 HIS A 51 11.332 34.228 3.826 1.00 0.00 H new ATOM 0 HE2 HIS A 51 12.425 32.603 2.178 1.00 0.00 H new ATOM 807 N LYS A 52 5.055 32.998 0.319 1.00 0.00 N ATOM 808 CA LYS A 52 3.767 33.214 -0.339 1.00 0.00 C ATOM 809 C LYS A 52 2.687 33.521 0.694 1.00 0.00 C ATOM 810 O LYS A 52 1.929 34.480 0.542 1.00 0.00 O ATOM 811 CB LYS A 52 3.373 31.977 -1.149 1.00 0.00 C ATOM 812 CG LYS A 52 4.504 31.623 -2.117 1.00 0.00 C ATOM 813 CD LYS A 52 4.714 32.778 -3.098 1.00 0.00 C ATOM 814 CE LYS A 52 5.547 32.304 -4.290 1.00 0.00 C ATOM 815 NZ LYS A 52 5.039 32.954 -5.530 1.00 0.00 N1+ ATOM 0 H LYS A 52 5.444 32.062 0.200 1.00 0.00 H new ATOM 0 HA LYS A 52 3.862 34.065 -1.013 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.175 31.139 -0.481 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.453 32.168 -1.701 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.423 31.429 -1.564 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.260 30.710 -2.660 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.751 33.153 -3.443 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.218 33.605 -2.597 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.597 32.554 -4.138 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.488 31.220 -4.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 5.602 32.635 -6.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 4.042 32.694 -5.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.118 33.987 -5.438 1.00 0.00 H new ATOM 829 N TRP A 53 2.626 32.713 1.746 1.00 0.00 N ATOM 830 CA TRP A 53 1.642 32.922 2.801 1.00 0.00 C ATOM 831 C TRP A 53 1.791 34.335 3.358 1.00 0.00 C ATOM 832 O TRP A 53 0.825 35.093 3.453 1.00 0.00 O ATOM 833 CB TRP A 53 1.896 31.898 3.912 1.00 0.00 C ATOM 834 CG TRP A 53 0.763 31.859 4.882 1.00 0.00 C ATOM 835 CD1 TRP A 53 -0.352 31.107 4.747 1.00 0.00 C ATOM 836 CD2 TRP A 53 0.634 32.562 6.147 1.00 0.00 C ATOM 837 NE1 TRP A 53 -1.158 31.302 5.854 1.00 0.00 N ATOM 838 CE2 TRP A 53 -0.595 32.195 6.745 1.00 0.00 C ATOM 839 CE3 TRP A 53 1.455 33.475 6.828 1.00 0.00 C ATOM 840 CZ2 TRP A 53 -0.993 32.712 7.977 1.00 0.00 C ATOM 841 CZ3 TRP A 53 1.060 33.998 8.066 1.00 0.00 C ATOM 842 CH2 TRP A 53 -0.164 33.619 8.640 1.00 0.00 C ATOM 0 H TRP A 53 3.242 31.913 1.891 1.00 0.00 H new ATOM 0 HA TRP A 53 0.633 32.799 2.407 1.00 0.00 H new ATOM 0 HB2 TRP A 53 2.037 30.910 3.474 1.00 0.00 H new ATOM 0 HB3 TRP A 53 2.818 32.148 4.436 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.577 30.460 3.912 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -2.058 30.843 5.995 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.397 33.776 6.394 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.934 32.414 8.415 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.701 34.697 8.582 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -0.464 34.029 9.593 1.00 0.00 H new ATOM 853 N LEU A 54 3.021 34.668 3.731 1.00 0.00 N ATOM 854 CA LEU A 54 3.316 35.983 4.290 1.00 0.00 C ATOM 855 C LEU A 54 2.946 37.092 3.309 1.00 0.00 C ATOM 856 O LEU A 54 2.218 38.022 3.656 1.00 0.00 O ATOM 857 CB LEU A 54 4.805 36.087 4.617 1.00 0.00 C ATOM 858 CG LEU A 54 5.060 37.368 5.406 1.00 0.00 C ATOM 859 CD1 LEU A 54 4.588 37.191 6.849 1.00 0.00 C ATOM 860 CD2 LEU A 54 6.557 37.675 5.400 1.00 0.00 C ATOM 0 H LEU A 54 3.828 34.049 3.657 1.00 0.00 H new ATOM 0 HA LEU A 54 2.724 36.102 5.197 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.123 35.220 5.196 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.392 36.089 3.698 1.00 0.00 H new ATOM 0 HG LEU A 54 4.511 38.190 4.945 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.773 38.109 7.407 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.521 36.969 6.858 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.133 36.369 7.312 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.743 38.590 5.963 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.100 36.849 5.860 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.898 37.805 4.373 1.00 0.00 H new ATOM 872 N ASP A 55 3.461 36.988 2.086 1.00 0.00 N ATOM 873 CA ASP A 55 3.191 37.987 1.060 1.00 0.00 C ATOM 874 C ASP A 55 1.696 38.176 0.859 1.00 0.00 C ATOM 875 O ASP A 55 1.220 39.300 0.695 1.00 0.00 O ATOM 876 CB ASP A 55 3.824 37.552 -0.261 1.00 0.00 C ATOM 877 CG ASP A 55 5.343 37.615 -0.153 1.00 0.00 C ATOM 878 OD1 ASP A 55 5.834 38.568 0.429 1.00 0.00 O ATOM 879 OD2 ASP A 55 5.992 36.708 -0.647 1.00 0.00 O1- ATOM 0 H ASP A 55 4.065 36.224 1.784 1.00 0.00 H new ATOM 0 HA ASP A 55 3.621 38.934 1.388 1.00 0.00 H new ATOM 0 HB2 ASP A 55 3.510 36.538 -0.508 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.481 38.198 -1.069 1.00 0.00 H new ATOM 884 N ARG A 56 0.962 37.070 0.867 1.00 0.00 N ATOM 885 CA ARG A 56 -0.481 37.117 0.678 1.00 0.00 C ATOM 886 C ARG A 56 -1.169 37.847 1.831 1.00 0.00 C ATOM 887 O ARG A 56 -2.204 38.486 1.638 1.00 0.00 O ATOM 888 CB ARG A 56 -1.036 35.694 0.559 1.00 0.00 C ATOM 889 CG ARG A 56 -2.523 35.755 0.213 1.00 0.00 C ATOM 890 CD ARG A 56 -3.031 34.349 -0.103 1.00 0.00 C ATOM 891 NE ARG A 56 -3.009 33.523 1.097 1.00 0.00 N ATOM 892 CZ ARG A 56 -3.175 32.209 1.019 1.00 0.00 C ATOM 893 NH1 ARG A 56 -3.355 31.648 -0.144 1.00 0.00 N ATOM 894 NH2 ARG A 56 -3.156 31.479 2.101 1.00 0.00 N1+ ATOM 0 H ARG A 56 1.341 36.133 1.002 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.684 37.668 -0.241 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.495 35.144 -0.211 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -0.891 35.156 1.496 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.084 36.177 1.047 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.682 36.411 -0.643 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.045 34.402 -0.498 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.411 33.896 -0.876 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.864 33.960 2.007 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.368 32.219 -0.989 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.483 30.638 -0.209 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -3.013 31.919 3.010 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.284 30.469 2.037 1.00 0.00 H new ATOM 908 N HIS A 57 -0.600 37.737 3.028 1.00 0.00 N ATOM 909 CA HIS A 57 -1.182 38.382 4.203 1.00 0.00 C ATOM 910 C HIS A 57 -0.330 39.563 4.667 1.00 0.00 C ATOM 911 O HIS A 57 -0.488 40.035 5.788 1.00 0.00 O ATOM 912 CB HIS A 57 -1.323 37.359 5.336 1.00 0.00 C ATOM 913 CG HIS A 57 -2.286 36.282 4.910 1.00 0.00 C ATOM 914 ND1 HIS A 57 -3.005 36.368 3.730 1.00 0.00 N ATOM 915 CD2 HIS A 57 -2.664 35.095 5.492 1.00 0.00 C ATOM 916 CE1 HIS A 57 -3.773 35.266 3.638 1.00 0.00 C ATOM 917 NE2 HIS A 57 -3.603 34.457 4.687 1.00 0.00 N ATOM 0 H HIS A 57 0.256 37.213 3.210 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.166 38.765 3.931 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.352 36.923 5.572 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -1.682 37.848 6.242 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -2.289 34.715 6.431 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.444 35.061 2.817 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -4.063 33.563 4.861 1.00 0.00 H new ATOM 926 N ARG A 58 0.561 40.041 3.799 1.00 0.00 N ATOM 927 CA ARG A 58 1.418 41.175 4.137 1.00 0.00 C ATOM 928 C ARG A 58 0.583 42.363 4.613 1.00 0.00 C ATOM 929 O ARG A 58 1.006 43.123 5.483 1.00 0.00 O ATOM 930 CB ARG A 58 2.274 41.574 2.930 1.00 0.00 C ATOM 931 CG ARG A 58 1.378 42.008 1.773 1.00 0.00 C ATOM 932 CD ARG A 58 2.206 42.051 0.490 1.00 0.00 C ATOM 933 NE ARG A 58 3.307 43.002 0.634 1.00 0.00 N ATOM 934 CZ ARG A 58 4.338 42.999 -0.206 1.00 0.00 C ATOM 935 NH1 ARG A 58 4.374 42.156 -1.197 1.00 0.00 N ATOM 936 NH2 ARG A 58 5.319 43.846 -0.045 1.00 0.00 N1+ ATOM 0 H ARG A 58 0.707 39.663 2.863 1.00 0.00 H new ATOM 0 HA ARG A 58 2.078 40.874 4.950 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.947 42.387 3.204 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.897 40.734 2.623 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.546 41.313 1.661 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.949 42.989 1.977 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.599 41.059 0.268 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.574 42.339 -0.350 1.00 0.00 H new ATOM 0 HE ARG A 58 3.284 43.682 1.394 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.610 41.494 -1.332 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.167 42.157 -1.839 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.296 44.512 0.727 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.108 43.841 -0.691 1.00 0.00 H new ATOM 950 N ASP A 59 -0.610 42.509 4.044 1.00 0.00 N ATOM 951 CA ASP A 59 -1.504 43.603 4.426 1.00 0.00 C ATOM 952 C ASP A 59 -1.809 43.562 5.924 1.00 0.00 C ATOM 953 O ASP A 59 -2.028 44.597 6.549 1.00 0.00 O ATOM 954 CB ASP A 59 -2.821 43.518 3.645 1.00 0.00 C ATOM 955 CG ASP A 59 -3.802 44.570 4.163 1.00 0.00 C ATOM 956 OD1 ASP A 59 -3.536 45.746 3.971 1.00 0.00 O ATOM 957 OD2 ASP A 59 -4.804 44.185 4.743 1.00 0.00 O1- ATOM 0 H ASP A 59 -0.980 41.890 3.322 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.999 44.540 4.190 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.634 43.674 2.582 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.253 42.523 3.750 1.00 0.00 H new ATOM 962 N MET A 60 -1.837 42.359 6.485 1.00 0.00 N ATOM 963 CA MET A 60 -2.138 42.190 7.905 1.00 0.00 C ATOM 964 C MET A 60 -1.157 42.972 8.774 1.00 0.00 C ATOM 965 O MET A 60 -1.491 43.382 9.884 1.00 0.00 O ATOM 966 CB MET A 60 -2.072 40.713 8.273 1.00 0.00 C ATOM 967 CG MET A 60 -0.617 40.316 8.510 1.00 0.00 C ATOM 968 SD MET A 60 -0.469 38.515 8.416 1.00 0.00 S ATOM 969 CE MET A 60 1.306 38.439 8.064 1.00 0.00 C ATOM 0 H MET A 60 -1.656 41.489 5.983 1.00 0.00 H new ATOM 0 HA MET A 60 -3.142 42.574 8.086 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.663 40.523 9.169 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.500 40.108 7.474 1.00 0.00 H new ATOM 0 HG2 MET A 60 0.026 40.785 7.766 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.285 40.670 9.486 1.00 0.00 H new ATOM 0 HE1 MET A 60 1.659 37.416 8.193 1.00 0.00 H new ATOM 0 HE2 MET A 60 1.487 38.758 7.038 1.00 0.00 H new ATOM 0 HE3 MET A 60 1.841 39.097 8.749 1.00 0.00 H new ATOM 979 N CYS A 61 0.052 43.174 8.267 1.00 0.00 N ATOM 980 CA CYS A 61 1.069 43.905 9.014 1.00 0.00 C ATOM 981 C CYS A 61 0.597 45.329 9.299 1.00 0.00 C ATOM 982 O CYS A 61 0.996 45.942 10.287 1.00 0.00 O ATOM 983 CB CYS A 61 2.371 43.944 8.209 1.00 0.00 C ATOM 984 SG CYS A 61 2.151 44.994 6.750 1.00 0.00 S ATOM 0 H CYS A 61 0.352 42.845 7.349 1.00 0.00 H new ATOM 0 HA CYS A 61 1.243 43.396 9.962 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.182 44.329 8.828 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.653 42.936 7.905 1.00 0.00 H new ATOM 0 HG CYS A 61 1.627 44.295 5.787 1.00 0.00 H new ATOM 990 N GLU A 62 -0.245 45.848 8.415 1.00 0.00 N ATOM 991 CA GLU A 62 -0.761 47.206 8.556 1.00 0.00 C ATOM 992 C GLU A 62 -1.830 47.303 9.649 1.00 0.00 C ATOM 993 O GLU A 62 -2.182 48.404 10.075 1.00 0.00 O ATOM 994 CB GLU A 62 -1.380 47.652 7.234 1.00 0.00 C ATOM 995 CG GLU A 62 -0.340 47.576 6.117 1.00 0.00 C ATOM 996 CD GLU A 62 -0.978 47.988 4.794 1.00 0.00 C ATOM 997 OE1 GLU A 62 -2.187 48.155 4.770 1.00 0.00 O ATOM 998 OE2 GLU A 62 -0.253 48.122 3.822 1.00 0.00 O1- ATOM 0 H GLU A 62 -0.586 45.350 7.592 1.00 0.00 H new ATOM 0 HA GLU A 62 0.075 47.847 8.834 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.233 47.019 6.991 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.755 48.672 7.324 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.502 48.230 6.345 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.054 46.563 6.042 1.00 0.00 H new ATOM 1005 N LYS A 63 -2.365 46.164 10.081 1.00 0.00 N ATOM 1006 CA LYS A 63 -3.415 46.158 11.099 1.00 0.00 C ATOM 1007 C LYS A 63 -2.838 46.199 12.511 1.00 0.00 C ATOM 1008 O LYS A 63 -3.545 45.912 13.477 1.00 0.00 O ATOM 1009 CB LYS A 63 -4.264 44.894 10.954 1.00 0.00 C ATOM 1010 CG LYS A 63 -5.012 44.912 9.619 1.00 0.00 C ATOM 1011 CD LYS A 63 -5.814 43.618 9.476 1.00 0.00 C ATOM 1012 CE LYS A 63 -6.309 43.479 8.035 1.00 0.00 C ATOM 1013 NZ LYS A 63 -5.143 43.292 7.126 1.00 0.00 N1+ ATOM 0 H LYS A 63 -2.093 45.240 9.746 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.022 47.051 10.948 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.628 44.011 11.011 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.975 44.828 11.777 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.678 45.774 9.573 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.306 45.010 8.794 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.194 42.762 9.742 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.660 43.625 10.163 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.988 42.630 7.953 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.871 44.367 7.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.419 43.533 6.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.364 43.912 7.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.830 42.301 7.162 1.00 0.00 H new ATOM 1027 N TRP A 64 -1.573 46.580 12.644 1.00 0.00 N ATOM 1028 CA TRP A 64 -0.972 46.673 13.971 1.00 0.00 C ATOM 1029 C TRP A 64 0.432 47.267 13.916 1.00 0.00 C ATOM 1030 O TRP A 64 0.886 47.886 14.880 1.00 0.00 O ATOM 1031 CB TRP A 64 -0.929 45.301 14.650 1.00 0.00 C ATOM 1032 CG TRP A 64 -0.934 44.219 13.626 1.00 0.00 C ATOM 1033 CD1 TRP A 64 -0.127 44.168 12.545 1.00 0.00 C ATOM 1034 CD2 TRP A 64 -1.765 43.024 13.574 1.00 0.00 C ATOM 1035 NE1 TRP A 64 -0.411 43.018 11.829 1.00 0.00 N ATOM 1036 CE2 TRP A 64 -1.415 42.280 12.424 1.00 0.00 C ATOM 1037 CE3 TRP A 64 -2.781 42.521 14.405 1.00 0.00 C ATOM 1038 CZ2 TRP A 64 -2.051 41.076 12.110 1.00 0.00 C ATOM 1039 CZ3 TRP A 64 -3.423 41.312 14.094 1.00 0.00 C ATOM 1040 CH2 TRP A 64 -3.059 40.590 12.948 1.00 0.00 C ATOM 0 H TRP A 64 -0.955 46.825 11.870 1.00 0.00 H new ATOM 0 HA TRP A 64 -1.601 47.341 14.559 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -0.035 45.222 15.269 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -1.787 45.188 15.313 1.00 0.00 H new ATOM 0 HD1 TRP A 64 0.618 44.904 12.282 1.00 0.00 H new ATOM 0 HE1 TRP A 64 0.063 42.749 10.967 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -3.070 43.069 15.290 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -1.766 40.525 11.226 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -4.202 40.936 14.741 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -3.556 39.660 12.713 1.00 0.00 H new ATOM 1051 N LYS A 65 1.123 47.069 12.798 1.00 0.00 N ATOM 1052 CA LYS A 65 2.478 47.584 12.658 1.00 0.00 C ATOM 1053 C LYS A 65 3.320 47.133 13.845 1.00 0.00 C ATOM 1054 O LYS A 65 4.419 47.636 14.078 1.00 0.00 O ATOM 1055 CB LYS A 65 2.442 49.111 12.562 1.00 0.00 C ATOM 1056 CG LYS A 65 1.707 49.499 11.279 1.00 0.00 C ATOM 1057 CD LYS A 65 1.693 51.022 11.119 1.00 0.00 C ATOM 1058 CE LYS A 65 0.588 51.412 10.136 1.00 0.00 C ATOM 1059 NZ LYS A 65 0.231 50.227 9.313 1.00 0.00 N1+ ATOM 0 H LYS A 65 0.772 46.562 11.986 1.00 0.00 H new ATOM 0 HA LYS A 65 2.929 47.193 11.746 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.937 49.533 13.431 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.455 49.514 12.555 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.194 49.040 10.419 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.686 49.119 11.307 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.524 51.500 12.084 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.660 51.371 10.756 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.287 51.772 10.677 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.924 52.227 9.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.263 50.538 8.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.096 49.714 9.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.390 49.598 9.861 1.00 0.00 H new ATOM 1073 N SER A 66 2.788 46.162 14.579 1.00 0.00 N ATOM 1074 CA SER A 66 3.474 45.603 15.737 1.00 0.00 C ATOM 1075 C SER A 66 4.298 44.387 15.326 1.00 0.00 C ATOM 1076 O SER A 66 4.020 43.759 14.305 1.00 0.00 O ATOM 1077 CB SER A 66 2.448 45.181 16.782 1.00 0.00 C ATOM 1078 OG SER A 66 1.605 44.192 16.214 1.00 0.00 O ATOM 0 H SER A 66 1.877 45.744 14.390 1.00 0.00 H new ATOM 0 HA SER A 66 4.137 46.362 16.153 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.949 44.789 17.667 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.860 46.040 17.103 1.00 0.00 H new ATOM 0 HG SER A 66 0.765 44.150 16.717 1.00 0.00 H new ATOM 1084 N LYS A 67 5.303 44.055 16.128 1.00 0.00 N ATOM 1085 CA LYS A 67 6.149 42.904 15.833 1.00 0.00 C ATOM 1086 C LYS A 67 5.732 41.686 16.653 1.00 0.00 C ATOM 1087 O LYS A 67 5.261 40.690 16.112 1.00 0.00 O ATOM 1088 CB LYS A 67 7.616 43.228 16.131 1.00 0.00 C ATOM 1089 CG LYS A 67 8.466 41.978 15.881 1.00 0.00 C ATOM 1090 CD LYS A 67 9.942 42.276 16.167 1.00 0.00 C ATOM 1091 CE LYS A 67 10.784 41.050 15.806 1.00 0.00 C ATOM 1092 NZ LYS A 67 11.975 41.475 15.017 1.00 0.00 N1+ ATOM 0 H LYS A 67 5.551 44.560 16.979 1.00 0.00 H new ATOM 0 HA LYS A 67 6.030 42.674 14.774 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.956 44.047 15.498 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.726 43.557 17.164 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.122 41.162 16.517 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.347 41.649 14.849 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.269 43.140 15.588 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.077 42.527 17.219 1.00 0.00 H new ATOM 0 HE2 LYS A 67 11.101 40.535 16.713 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.187 40.343 15.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.675 40.706 15.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.685 41.696 14.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 12.397 42.320 15.453 1.00 0.00 H new ATOM 1106 N GLU A 68 5.939 41.773 17.957 1.00 0.00 N ATOM 1107 CA GLU A 68 5.621 40.667 18.860 1.00 0.00 C ATOM 1108 C GLU A 68 4.141 40.285 18.791 1.00 0.00 C ATOM 1109 O GLU A 68 3.789 39.101 18.840 1.00 0.00 O ATOM 1110 CB GLU A 68 5.992 41.033 20.306 1.00 0.00 C ATOM 1111 CG GLU A 68 5.825 42.539 20.548 1.00 0.00 C ATOM 1112 CD GLU A 68 6.361 42.897 21.925 1.00 0.00 C ATOM 1113 OE1 GLU A 68 7.572 42.979 22.061 1.00 0.00 O1- ATOM 1114 OE2 GLU A 68 5.559 43.082 22.823 1.00 0.00 O ATOM 0 H GLU A 68 6.326 42.596 18.419 1.00 0.00 H new ATOM 0 HA GLU A 68 6.208 39.807 18.538 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.362 40.477 21.000 1.00 0.00 H new ATOM 0 HB3 GLU A 68 7.023 40.740 20.507 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.358 43.102 19.782 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.773 42.815 20.473 1.00 0.00 H new ATOM 1121 N ASP A 69 3.275 41.279 18.675 1.00 0.00 N ATOM 1122 CA ASP A 69 1.843 41.008 18.602 1.00 0.00 C ATOM 1123 C ASP A 69 1.498 40.188 17.363 1.00 0.00 C ATOM 1124 O ASP A 69 0.703 39.252 17.435 1.00 0.00 O ATOM 1125 CB ASP A 69 1.056 42.315 18.606 1.00 0.00 C ATOM 1126 CG ASP A 69 0.994 42.872 20.022 1.00 0.00 C ATOM 1127 OD1 ASP A 69 1.112 42.086 20.949 1.00 0.00 O1- ATOM 1128 OD2 ASP A 69 0.822 44.070 20.161 1.00 0.00 O ATOM 0 H ASP A 69 3.529 42.266 18.630 1.00 0.00 H new ATOM 0 HA ASP A 69 1.566 40.424 19.480 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.529 43.038 17.941 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.048 42.145 18.227 1.00 0.00 H new ATOM 1133 N ILE A 70 2.101 40.521 16.227 1.00 0.00 N ATOM 1134 CA ILE A 70 1.830 39.770 15.008 1.00 0.00 C ATOM 1135 C ILE A 70 2.213 38.310 15.207 1.00 0.00 C ATOM 1136 O ILE A 70 1.480 37.409 14.811 1.00 0.00 O ATOM 1137 CB ILE A 70 2.610 40.351 13.825 1.00 0.00 C ATOM 1138 CG1 ILE A 70 2.168 41.792 13.583 1.00 0.00 C ATOM 1139 CG2 ILE A 70 2.340 39.523 12.565 1.00 0.00 C ATOM 1140 CD1 ILE A 70 2.983 42.383 12.430 1.00 0.00 C ATOM 0 H ILE A 70 2.766 41.288 16.125 1.00 0.00 H new ATOM 0 HA ILE A 70 0.765 39.842 14.789 1.00 0.00 H new ATOM 0 HB ILE A 70 3.676 40.325 14.053 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.105 41.824 13.346 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.311 42.385 14.486 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.898 39.942 11.728 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.655 38.493 12.732 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.274 39.544 12.337 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.671 43.412 12.254 1.00 0.00 H new ATOM 0 HD12 ILE A 70 4.042 42.364 12.686 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.817 41.794 11.528 1.00 0.00 H new ATOM 1152 N LEU A 71 3.361 38.083 15.843 1.00 0.00 N ATOM 1153 CA LEU A 71 3.823 36.725 16.096 1.00 0.00 C ATOM 1154 C LEU A 71 2.727 35.941 16.797 1.00 0.00 C ATOM 1155 O LEU A 71 2.463 34.786 16.462 1.00 0.00 O ATOM 1156 CB LEU A 71 5.085 36.750 16.973 1.00 0.00 C ATOM 1157 CG LEU A 71 6.344 37.057 16.139 1.00 0.00 C ATOM 1158 CD1 LEU A 71 6.944 35.757 15.602 1.00 0.00 C ATOM 1159 CD2 LEU A 71 6.006 37.975 14.959 1.00 0.00 C ATOM 0 H LEU A 71 3.981 38.816 16.188 1.00 0.00 H new ATOM 0 HA LEU A 71 4.064 36.247 15.147 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.972 37.502 17.754 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.203 35.788 17.471 1.00 0.00 H new ATOM 0 HG LEU A 71 7.063 37.559 16.786 1.00 0.00 H new ATOM 0 HD11 LEU A 71 7.833 35.983 15.014 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.215 35.110 16.436 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.212 35.251 14.973 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.910 38.178 14.385 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.271 37.488 14.318 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.596 38.913 15.334 1.00 0.00 H new ATOM 1171 N HIS A 72 2.074 36.582 17.755 1.00 0.00 N ATOM 1172 CA HIS A 72 0.989 35.926 18.473 1.00 0.00 C ATOM 1173 C HIS A 72 -0.102 35.501 17.488 1.00 0.00 C ATOM 1174 O HIS A 72 -0.646 34.396 17.583 1.00 0.00 O ATOM 1175 CB HIS A 72 0.394 36.876 19.519 1.00 0.00 C ATOM 1176 CG HIS A 72 1.339 37.037 20.683 1.00 0.00 C ATOM 1177 ND1 HIS A 72 2.652 37.459 20.532 1.00 0.00 N ATOM 1178 CD2 HIS A 72 1.156 36.865 22.032 1.00 0.00 C ATOM 1179 CE1 HIS A 72 3.199 37.529 21.761 1.00 0.00 C ATOM 1180 NE2 HIS A 72 2.329 37.177 22.711 1.00 0.00 N ATOM 0 H HIS A 72 2.270 37.538 18.050 1.00 0.00 H new ATOM 0 HA HIS A 72 1.385 35.045 18.978 1.00 0.00 H new ATOM 0 HB2 HIS A 72 0.196 37.848 19.066 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -0.562 36.488 19.870 1.00 0.00 H new ATOM 0 HD1 HIS A 72 3.118 37.677 19.651 1.00 0.00 H new ATOM 0 HD2 HIS A 72 0.238 36.536 22.497 1.00 0.00 H new ATOM 0 HE1 HIS A 72 4.217 37.833 21.954 1.00 0.00 H new ATOM 1189 N LYS A 73 -0.414 36.385 16.541 1.00 0.00 N ATOM 1190 CA LYS A 73 -1.444 36.096 15.542 1.00 0.00 C ATOM 1191 C LYS A 73 -1.046 34.910 14.674 1.00 0.00 C ATOM 1192 O LYS A 73 -1.815 33.960 14.514 1.00 0.00 O ATOM 1193 CB LYS A 73 -1.657 37.306 14.632 1.00 0.00 C ATOM 1194 CG LYS A 73 -1.807 38.575 15.471 1.00 0.00 C ATOM 1195 CD LYS A 73 -3.006 38.443 16.414 1.00 0.00 C ATOM 1196 CE LYS A 73 -4.267 38.107 15.613 1.00 0.00 C ATOM 1197 NZ LYS A 73 -5.469 38.608 16.341 1.00 0.00 N1+ ATOM 0 H LYS A 73 0.027 37.300 16.444 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.363 35.862 16.079 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.814 37.410 13.949 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -2.547 37.158 14.020 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -0.898 38.749 16.047 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -1.941 39.438 14.819 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -2.815 37.663 17.152 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -3.151 39.373 16.964 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.213 38.561 14.623 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.341 37.029 15.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -6.325 38.379 15.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -5.522 38.155 17.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -5.399 39.639 16.459 1.00 0.00 H new ATOM 1211 N LEU A 74 0.149 34.976 14.096 1.00 0.00 N ATOM 1212 CA LEU A 74 0.616 33.901 13.232 1.00 0.00 C ATOM 1213 C LEU A 74 0.624 32.582 13.978 1.00 0.00 C ATOM 1214 O LEU A 74 0.278 31.548 13.419 1.00 0.00 O ATOM 1215 CB LEU A 74 2.021 34.205 12.715 1.00 0.00 C ATOM 1216 CG LEU A 74 1.929 35.166 11.532 1.00 0.00 C ATOM 1217 CD1 LEU A 74 1.071 36.371 11.905 1.00 0.00 C ATOM 1218 CD2 LEU A 74 3.329 35.648 11.156 1.00 0.00 C ATOM 0 H LEU A 74 0.802 35.751 14.208 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.068 33.825 12.386 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.625 34.644 13.509 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.516 33.283 12.411 1.00 0.00 H new ATOM 0 HG LEU A 74 1.477 34.646 10.688 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.011 37.051 11.056 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.069 36.035 12.173 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.519 36.888 12.753 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.263 36.334 10.311 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.778 36.161 12.006 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.947 34.793 10.881 1.00 0.00 H new ATOM 1230 N ASN A 75 1.013 32.617 15.242 1.00 0.00 N ATOM 1231 CA ASN A 75 1.047 31.401 16.039 1.00 0.00 C ATOM 1232 C ASN A 75 -0.315 30.719 16.029 1.00 0.00 C ATOM 1233 O ASN A 75 -0.415 29.519 15.770 1.00 0.00 O ATOM 1234 CB ASN A 75 1.438 31.746 17.473 1.00 0.00 C ATOM 1235 CG ASN A 75 2.891 32.201 17.510 1.00 0.00 C ATOM 1236 OD1 ASN A 75 3.633 31.985 16.552 1.00 0.00 O ATOM 1237 ND2 ASN A 75 3.348 32.820 18.561 1.00 0.00 N ATOM 0 H ASN A 75 1.306 33.461 15.733 1.00 0.00 H new ATOM 0 HA ASN A 75 1.781 30.719 15.611 1.00 0.00 H new ATOM 0 HB2 ASN A 75 0.790 32.533 17.858 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.302 30.877 18.117 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.321 33.126 18.590 1.00 0.00 H new ATOM 0 HD22 ASN A 75 2.733 32.999 19.355 1.00 0.00 H new ATOM 1244 N GLU A 76 -1.363 31.492 16.305 1.00 0.00 N ATOM 1245 CA GLU A 76 -2.718 30.948 16.321 1.00 0.00 C ATOM 1246 C GLU A 76 -3.137 30.507 14.921 1.00 0.00 C ATOM 1247 O GLU A 76 -3.792 29.472 14.744 1.00 0.00 O ATOM 1248 CB GLU A 76 -3.694 32.002 16.842 1.00 0.00 C ATOM 1249 CG GLU A 76 -5.075 31.371 17.018 1.00 0.00 C ATOM 1250 CD GLU A 76 -6.084 32.431 17.446 1.00 0.00 C ATOM 1251 OE1 GLU A 76 -5.693 33.579 17.566 1.00 0.00 O1- ATOM 1252 OE2 GLU A 76 -7.234 32.077 17.649 1.00 0.00 O ATOM 0 H GLU A 76 -1.301 32.487 16.519 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.735 30.080 16.980 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.341 32.402 17.792 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.750 32.838 16.145 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.395 30.910 16.084 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.029 30.579 17.765 1.00 0.00 H new ATOM 1259 N GLN A 77 -2.743 31.293 13.927 1.00 0.00 N ATOM 1260 CA GLN A 77 -3.071 30.974 12.544 1.00 0.00 C ATOM 1261 C GLN A 77 -2.282 29.751 12.093 1.00 0.00 C ATOM 1262 O GLN A 77 -2.803 28.883 11.398 1.00 0.00 O ATOM 1263 CB GLN A 77 -2.739 32.167 11.638 1.00 0.00 C ATOM 1264 CG GLN A 77 -4.034 32.778 11.104 1.00 0.00 C ATOM 1265 CD GLN A 77 -4.822 33.403 12.249 1.00 0.00 C ATOM 1266 OE1 GLN A 77 -4.281 34.206 13.010 1.00 0.00 O ATOM 1267 NE2 GLN A 77 -6.072 33.075 12.421 1.00 0.00 N ATOM 0 H GLN A 77 -2.201 32.148 14.051 1.00 0.00 H new ATOM 0 HA GLN A 77 -4.137 30.759 12.474 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -2.175 32.915 12.195 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -2.108 31.844 10.810 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -3.807 33.534 10.352 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -4.634 32.011 10.614 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -6.516 32.410 11.788 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -6.606 33.484 13.188 1.00 0.00 H new ATOM 1276 N TRP A 78 -1.021 29.692 12.499 1.00 0.00 N ATOM 1277 CA TRP A 78 -0.166 28.573 12.133 1.00 0.00 C ATOM 1278 C TRP A 78 -0.815 27.258 12.558 1.00 0.00 C ATOM 1279 O TRP A 78 -0.771 26.269 11.829 1.00 0.00 O ATOM 1280 CB TRP A 78 1.200 28.714 12.813 1.00 0.00 C ATOM 1281 CG TRP A 78 2.259 28.103 11.955 1.00 0.00 C ATOM 1282 CD1 TRP A 78 2.466 26.776 11.798 1.00 0.00 C ATOM 1283 CD2 TRP A 78 3.265 28.776 11.143 1.00 0.00 C ATOM 1284 NE1 TRP A 78 3.531 26.590 10.935 1.00 0.00 N ATOM 1285 CE2 TRP A 78 4.056 27.793 10.504 1.00 0.00 C ATOM 1286 CE3 TRP A 78 3.561 30.131 10.897 1.00 0.00 C ATOM 1287 CZ2 TRP A 78 5.107 28.142 9.655 1.00 0.00 C ATOM 1288 CZ3 TRP A 78 4.617 30.484 10.044 1.00 0.00 C ATOM 1289 CH2 TRP A 78 5.388 29.492 9.422 1.00 0.00 C ATOM 0 H TRP A 78 -0.571 30.401 13.078 1.00 0.00 H new ATOM 0 HA TRP A 78 -0.031 28.573 11.051 1.00 0.00 H new ATOM 0 HB2 TRP A 78 1.423 29.767 12.987 1.00 0.00 H new ATOM 0 HB3 TRP A 78 1.183 28.227 13.788 1.00 0.00 H new ATOM 0 HD1 TRP A 78 1.894 25.990 12.269 1.00 0.00 H new ATOM 0 HE1 TRP A 78 3.885 25.676 10.652 1.00 0.00 H new ATOM 0 HE3 TRP A 78 2.971 30.903 11.368 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 5.700 27.374 9.181 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 4.837 31.526 9.865 1.00 0.00 H new ATOM 0 HH2 TRP A 78 6.198 29.770 8.764 1.00 0.00 H new ATOM 1300 N ASN A 79 -1.412 27.255 13.750 1.00 0.00 N ATOM 1301 CA ASN A 79 -2.061 26.053 14.266 1.00 0.00 C ATOM 1302 C ASN A 79 -3.243 25.648 13.394 1.00 0.00 C ATOM 1303 O ASN A 79 -3.400 24.475 13.056 1.00 0.00 O ATOM 1304 CB ASN A 79 -2.560 26.299 15.690 1.00 0.00 C ATOM 1305 CG ASN A 79 -1.409 26.750 16.575 1.00 0.00 C ATOM 1306 OD1 ASN A 79 -0.185 26.639 16.139 1.00 0.00 O flip ATOM 1307 ND2 ASN A 79 -1.630 27.221 17.690 1.00 0.00 N flip ATOM 0 H ASN A 79 -1.459 28.064 14.370 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.325 25.249 14.260 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.343 27.057 15.684 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.002 25.387 16.091 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.589 27.306 18.027 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.854 27.527 18.277 1.00 0.00 H new ATOM 1314 N LYS A 80 -4.078 26.621 13.039 1.00 0.00 N ATOM 1315 CA LYS A 80 -5.245 26.333 12.212 1.00 0.00 C ATOM 1316 C LYS A 80 -4.814 25.719 10.886 1.00 0.00 C ATOM 1317 O LYS A 80 -5.524 24.894 10.310 1.00 0.00 O ATOM 1318 CB LYS A 80 -6.044 27.613 11.963 1.00 0.00 C ATOM 1319 CG LYS A 80 -6.574 28.138 13.298 1.00 0.00 C ATOM 1320 CD LYS A 80 -7.541 29.296 13.054 1.00 0.00 C ATOM 1321 CE LYS A 80 -7.915 29.919 14.397 1.00 0.00 C ATOM 1322 NZ LYS A 80 -9.215 29.353 14.855 1.00 0.00 N1+ ATOM 0 H LYS A 80 -3.971 27.600 13.306 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.878 25.619 12.739 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.413 28.364 11.487 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -6.871 27.414 11.282 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -7.080 27.338 13.838 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.745 28.470 13.923 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -7.080 30.043 12.408 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -8.435 28.939 12.542 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -7.137 29.718 15.134 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -7.990 31.002 14.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -9.474 29.774 15.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -9.953 29.567 14.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -9.127 28.322 14.961 1.00 0.00 H new ATOM 1336 N ASP A 81 -3.642 26.125 10.413 1.00 0.00 N ATOM 1337 CA ASP A 81 -3.114 25.609 9.159 1.00 0.00 C ATOM 1338 C ASP A 81 -2.056 24.540 9.424 1.00 0.00 C ATOM 1339 O ASP A 81 -2.437 23.413 9.697 1.00 0.00 O ATOM 1340 CB ASP A 81 -2.504 26.750 8.345 1.00 0.00 C ATOM 1341 CG ASP A 81 -2.021 26.225 6.998 1.00 0.00 C ATOM 1342 OD1 ASP A 81 -2.569 25.237 6.538 1.00 0.00 O1- ATOM 1343 OD2 ASP A 81 -1.112 26.821 6.443 1.00 0.00 O ATOM 1344 OXT ASP A 81 -0.882 24.864 9.351 1.00 0.00 O ATOM 0 H ASP A 81 -3.042 26.807 10.877 1.00 0.00 H new ATOM 0 HA ASP A 81 -3.931 25.159 8.595 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.243 27.537 8.195 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.672 27.194 8.892 1.00 0.00 H new