USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=13 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 28 ASN : amide:sc= -14.6! C(o=-31!,f=-35!) USER MOD Set 1.2: A 30 GLN : amide:sc= -7.78! C(o=-31!,f=-35!) USER MOD Set 1.3: A 75 ASN : amide:sc= -8.24! C(o=-31!,f=-31!) USER MOD Set 2.1: A 18 LYS NZ :NH3+ -178:sc= -0.198 (180deg=-0.2) USER MOD Set 2.2: A 51 HIS : no HE2:sc= -4.88 X(o=-5.1,f=-4.7) USER MOD Single : A 8 LYS NZ :NH3+ 151:sc= -8.99! (180deg=-9.84!) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.878 USER MOD Single : A 15 ASN : amide:sc= -0.254 K(o=-0.25,f=-1.2!) USER MOD Single : A 16 GLN : amide:sc= -7.14! C(o=-7.1!,f=-10!) USER MOD Single : A 19 GLN : amide:sc= -3.88! C(o=-3.9!,f=-5.1!) USER MOD Single : A 23 SER OG : rot -84:sc= 0.0939 USER MOD Single : A 31 LYS NZ :NH3+ -141:sc= -0.248 (180deg=-1.54!) USER MOD Single : A 45 ASN : amide:sc= -6.49! C(o=-6.5!,f=-6.4!) USER MOD Single : A 46 GLN :FLIP amide:sc= 0 F(o=-1.7!,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -0.614 X(o=-0.61,f=-0.77) USER MOD Single : A 60 MET CE :methyl -163:sc= -0.0904 (180deg=-0.743) USER MOD Single : A 61 CYS SG : rot 150:sc= -0.626 USER MOD Single : A 63 LYS NZ :NH3+ -176:sc= -1.43 (180deg=-1.51!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -35:sc= -1.62 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -0.0292 X(o=-0.029,f=-0.23) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= -0.112 K(o=-0.11,f=-0.87) USER MOD Single : A 79 ASN :FLIP amide:sc= -0.41 F(o=-3.2!,f=-0.41) USER MOD Single : A 80 LYS NZ :NH3+ -154:sc= -0.1 (180deg=-0.804) USER MOD ----------------------------------------------------------------- ATOM 92 N LYS A 8 3.874 50.714 1.214 1.00 0.00 N ATOM 93 CA LYS A 8 3.952 49.459 1.948 1.00 0.00 C ATOM 94 C LYS A 8 5.401 49.131 2.288 1.00 0.00 C ATOM 95 O LYS A 8 6.299 49.944 2.075 1.00 0.00 O ATOM 96 CB LYS A 8 3.369 48.329 1.106 1.00 0.00 C ATOM 97 CG LYS A 8 1.918 48.651 0.752 1.00 0.00 C ATOM 98 CD LYS A 8 1.278 47.431 0.089 1.00 0.00 C ATOM 99 CE LYS A 8 2.089 47.031 -1.147 1.00 0.00 C ATOM 100 NZ LYS A 8 3.022 45.927 -0.785 1.00 0.00 N1+ ATOM 0 HA LYS A 8 3.382 49.563 2.871 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.956 48.199 0.197 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.420 47.389 1.655 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.364 48.924 1.650 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.877 49.508 0.080 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.238 46.601 0.794 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.250 47.657 -0.196 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.421 46.711 -1.947 1.00 0.00 H new ATOM 0 HE3 LYS A 8 2.649 47.888 -1.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 3.200 45.335 -1.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 3.920 46.328 -0.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.598 45.346 -0.034 1.00 0.00 H new ATOM 114 N PHE A 9 5.617 47.937 2.819 1.00 0.00 N ATOM 115 CA PHE A 9 6.960 47.512 3.179 1.00 0.00 C ATOM 116 C PHE A 9 7.731 47.088 1.936 1.00 0.00 C ATOM 117 O PHE A 9 7.165 46.499 1.016 1.00 0.00 O ATOM 118 CB PHE A 9 6.887 46.342 4.159 1.00 0.00 C ATOM 119 CG PHE A 9 6.370 46.835 5.485 1.00 0.00 C ATOM 120 CD1 PHE A 9 7.262 47.368 6.424 1.00 0.00 C ATOM 121 CD2 PHE A 9 5.001 46.774 5.773 1.00 0.00 C ATOM 122 CE1 PHE A 9 6.785 47.831 7.659 1.00 0.00 C ATOM 123 CE2 PHE A 9 4.525 47.237 7.006 1.00 0.00 C ATOM 124 CZ PHE A 9 5.416 47.771 7.946 1.00 0.00 C ATOM 0 H PHE A 9 4.886 47.251 3.009 1.00 0.00 H new ATOM 0 HA PHE A 9 7.478 48.348 3.649 1.00 0.00 H new ATOM 0 HB2 PHE A 9 6.232 45.564 3.767 1.00 0.00 H new ATOM 0 HB3 PHE A 9 7.873 45.895 4.284 1.00 0.00 H new ATOM 0 HD1 PHE A 9 8.317 47.422 6.197 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.313 46.370 5.045 1.00 0.00 H new ATOM 0 HE1 PHE A 9 7.473 48.233 8.388 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.470 47.182 7.232 1.00 0.00 H new ATOM 0 HZ PHE A 9 5.047 48.137 8.893 1.00 0.00 H new ATOM 134 N THR A 10 9.025 47.391 1.916 1.00 0.00 N ATOM 135 CA THR A 10 9.859 47.033 0.775 1.00 0.00 C ATOM 136 C THR A 10 10.313 45.590 0.884 1.00 0.00 C ATOM 137 O THR A 10 10.252 44.987 1.957 1.00 0.00 O ATOM 138 CB THR A 10 11.092 47.934 0.706 1.00 0.00 C ATOM 139 OG1 THR A 10 11.830 47.814 1.913 1.00 0.00 O ATOM 140 CG2 THR A 10 10.664 49.387 0.507 1.00 0.00 C ATOM 0 H THR A 10 9.514 47.878 2.667 1.00 0.00 H new ATOM 0 HA THR A 10 9.263 47.163 -0.128 1.00 0.00 H new ATOM 0 HB THR A 10 11.715 47.629 -0.135 1.00 0.00 H new ATOM 0 HG1 THR A 10 12.622 48.389 1.871 1.00 0.00 H new ATOM 0 HG21 THR A 10 11.548 50.023 0.459 1.00 0.00 H new ATOM 0 HG22 THR A 10 10.101 49.477 -0.422 1.00 0.00 H new ATOM 0 HG23 THR A 10 10.037 49.699 1.342 1.00 0.00 H new ATOM 148 N ASP A 11 10.774 45.045 -0.233 1.00 0.00 N ATOM 149 CA ASP A 11 11.247 43.675 -0.254 1.00 0.00 C ATOM 150 C ASP A 11 12.341 43.488 0.789 1.00 0.00 C ATOM 151 O ASP A 11 12.382 42.472 1.482 1.00 0.00 O ATOM 152 CB ASP A 11 11.774 43.335 -1.647 1.00 0.00 C ATOM 153 CG ASP A 11 10.624 43.370 -2.649 1.00 0.00 C ATOM 154 OD1 ASP A 11 9.485 43.411 -2.211 1.00 0.00 O ATOM 155 OD2 ASP A 11 10.896 43.359 -3.836 1.00 0.00 O1- ATOM 0 H ASP A 11 10.829 45.529 -1.129 1.00 0.00 H new ATOM 0 HA ASP A 11 10.422 43.004 -0.016 1.00 0.00 H new ATOM 0 HB2 ASP A 11 12.546 44.047 -1.939 1.00 0.00 H new ATOM 0 HB3 ASP A 11 12.236 42.348 -1.642 1.00 0.00 H new ATOM 160 N ASP A 12 13.216 44.482 0.915 1.00 0.00 N ATOM 161 CA ASP A 12 14.289 44.411 1.900 1.00 0.00 C ATOM 162 C ASP A 12 13.715 44.422 3.311 1.00 0.00 C ATOM 163 O ASP A 12 14.082 43.598 4.146 1.00 0.00 O ATOM 164 CB ASP A 12 15.248 45.589 1.730 1.00 0.00 C ATOM 165 CG ASP A 12 16.095 45.392 0.477 1.00 0.00 C ATOM 166 OD1 ASP A 12 16.100 44.289 -0.043 1.00 0.00 O ATOM 167 OD2 ASP A 12 16.727 46.347 0.056 1.00 0.00 O1- ATOM 0 H ASP A 12 13.204 45.335 0.355 1.00 0.00 H new ATOM 0 HA ASP A 12 14.835 43.481 1.743 1.00 0.00 H new ATOM 0 HB2 ASP A 12 14.685 46.520 1.657 1.00 0.00 H new ATOM 0 HB3 ASP A 12 15.892 45.674 2.605 1.00 0.00 H new ATOM 172 N GLU A 13 12.795 45.344 3.561 1.00 0.00 N ATOM 173 CA GLU A 13 12.165 45.434 4.868 1.00 0.00 C ATOM 174 C GLU A 13 11.396 44.154 5.143 1.00 0.00 C ATOM 175 O GLU A 13 11.415 43.618 6.252 1.00 0.00 O ATOM 176 CB GLU A 13 11.221 46.636 4.889 1.00 0.00 C ATOM 177 CG GLU A 13 12.048 47.925 4.867 1.00 0.00 C ATOM 178 CD GLU A 13 11.126 49.139 4.910 1.00 0.00 C ATOM 179 OE1 GLU A 13 9.945 48.970 4.645 1.00 0.00 O ATOM 180 OE2 GLU A 13 11.612 50.217 5.213 1.00 0.00 O1- ATOM 0 H GLU A 13 12.472 46.033 2.882 1.00 0.00 H new ATOM 0 HA GLU A 13 12.923 45.564 5.641 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.552 46.604 4.029 1.00 0.00 H new ATOM 0 HB3 GLU A 13 10.595 46.606 5.781 1.00 0.00 H new ATOM 0 HG2 GLU A 13 12.728 47.945 5.719 1.00 0.00 H new ATOM 0 HG3 GLU A 13 12.663 47.957 3.967 1.00 0.00 H new ATOM 187 N TRP A 14 10.728 43.668 4.108 1.00 0.00 N ATOM 188 CA TRP A 14 9.960 42.451 4.219 1.00 0.00 C ATOM 189 C TRP A 14 10.892 41.295 4.549 1.00 0.00 C ATOM 190 O TRP A 14 10.596 40.482 5.421 1.00 0.00 O ATOM 191 CB TRP A 14 9.229 42.210 2.906 1.00 0.00 C ATOM 192 CG TRP A 14 7.976 41.431 3.148 1.00 0.00 C ATOM 193 CD1 TRP A 14 7.629 40.320 2.466 1.00 0.00 C ATOM 194 CD2 TRP A 14 6.897 41.679 4.106 1.00 0.00 C ATOM 195 NE1 TRP A 14 6.405 39.868 2.932 1.00 0.00 N ATOM 196 CE2 TRP A 14 5.917 40.669 3.942 1.00 0.00 C ATOM 197 CE3 TRP A 14 6.665 42.669 5.088 1.00 0.00 C ATOM 198 CZ2 TRP A 14 4.761 40.637 4.719 1.00 0.00 C ATOM 199 CZ3 TRP A 14 5.498 42.635 5.870 1.00 0.00 C ATOM 200 CH2 TRP A 14 4.550 41.620 5.687 1.00 0.00 C ATOM 0 H TRP A 14 10.706 44.102 3.185 1.00 0.00 H new ATOM 0 HA TRP A 14 9.224 42.534 5.019 1.00 0.00 H new ATOM 0 HB2 TRP A 14 8.988 43.163 2.435 1.00 0.00 H new ATOM 0 HB3 TRP A 14 9.875 41.668 2.216 1.00 0.00 H new ATOM 0 HD1 TRP A 14 8.211 39.857 1.683 1.00 0.00 H new ATOM 0 HE1 TRP A 14 5.924 39.044 2.572 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.389 43.456 5.238 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 4.031 39.855 4.573 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 5.331 43.397 6.617 1.00 0.00 H new ATOM 0 HH2 TRP A 14 3.657 41.598 6.294 1.00 0.00 H new ATOM 211 N ASN A 15 12.024 41.224 3.852 1.00 0.00 N ATOM 212 CA ASN A 15 12.986 40.154 4.095 1.00 0.00 C ATOM 213 C ASN A 15 13.382 40.088 5.569 1.00 0.00 C ATOM 214 O ASN A 15 13.499 38.998 6.133 1.00 0.00 O ATOM 215 CB ASN A 15 14.239 40.377 3.245 1.00 0.00 C ATOM 216 CG ASN A 15 13.985 39.919 1.810 1.00 0.00 C ATOM 217 OD1 ASN A 15 13.331 38.900 1.589 1.00 0.00 O ATOM 218 ND2 ASN A 15 14.461 40.617 0.816 1.00 0.00 N ATOM 0 H ASN A 15 12.295 41.885 3.124 1.00 0.00 H new ATOM 0 HA ASN A 15 12.513 39.211 3.821 1.00 0.00 H new ATOM 0 HB2 ASN A 15 14.513 41.432 3.256 1.00 0.00 H new ATOM 0 HB3 ASN A 15 15.079 39.826 3.668 1.00 0.00 H new ATOM 0 HD21 ASN A 15 14.291 40.318 -0.144 1.00 0.00 H new ATOM 0 HD22 ASN A 15 15.003 41.461 0.999 1.00 0.00 H new ATOM 225 N GLN A 16 13.567 41.248 6.197 1.00 0.00 N ATOM 226 CA GLN A 16 13.930 41.272 7.614 1.00 0.00 C ATOM 227 C GLN A 16 12.784 40.705 8.437 1.00 0.00 C ATOM 228 O GLN A 16 12.995 39.935 9.376 1.00 0.00 O ATOM 229 CB GLN A 16 14.247 42.699 8.074 1.00 0.00 C ATOM 230 CG GLN A 16 15.629 43.105 7.555 1.00 0.00 C ATOM 231 CD GLN A 16 15.537 43.535 6.099 1.00 0.00 C ATOM 232 OE1 GLN A 16 15.119 44.657 5.811 1.00 0.00 O ATOM 233 NE2 GLN A 16 15.900 42.708 5.160 1.00 0.00 N ATOM 0 H GLN A 16 13.474 42.165 5.760 1.00 0.00 H new ATOM 0 HA GLN A 16 14.823 40.663 7.757 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.490 43.389 7.703 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.224 42.756 9.162 1.00 0.00 H new ATOM 0 HG2 GLN A 16 16.027 43.921 8.158 1.00 0.00 H new ATOM 0 HG3 GLN A 16 16.322 42.269 7.652 1.00 0.00 H new ATOM 0 HE21 GLN A 16 16.246 41.780 5.404 1.00 0.00 H new ATOM 0 HE22 GLN A 16 15.839 42.989 4.181 1.00 0.00 H new ATOM 242 N LEU A 17 11.572 41.095 8.069 1.00 0.00 N ATOM 243 CA LEU A 17 10.384 40.625 8.766 1.00 0.00 C ATOM 244 C LEU A 17 10.296 39.103 8.707 1.00 0.00 C ATOM 245 O LEU A 17 9.914 38.457 9.684 1.00 0.00 O ATOM 246 CB LEU A 17 9.134 41.234 8.123 1.00 0.00 C ATOM 247 CG LEU A 17 7.879 40.753 8.859 1.00 0.00 C ATOM 248 CD1 LEU A 17 7.830 41.377 10.255 1.00 0.00 C ATOM 249 CD2 LEU A 17 6.635 41.174 8.070 1.00 0.00 C ATOM 0 H LEU A 17 11.386 41.733 7.295 1.00 0.00 H new ATOM 0 HA LEU A 17 10.448 40.933 9.809 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.191 42.322 8.157 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.081 40.950 7.072 1.00 0.00 H new ATOM 0 HG LEU A 17 7.906 39.667 8.949 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.936 41.033 10.776 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.715 41.080 10.818 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.804 42.463 10.167 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.741 40.833 8.592 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.611 42.260 7.981 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.667 40.729 7.076 1.00 0.00 H new ATOM 261 N LYS A 18 10.648 38.533 7.558 1.00 0.00 N ATOM 262 CA LYS A 18 10.601 37.084 7.393 1.00 0.00 C ATOM 263 C LYS A 18 11.535 36.392 8.380 1.00 0.00 C ATOM 264 O LYS A 18 11.150 35.421 9.027 1.00 0.00 O ATOM 265 CB LYS A 18 11.001 36.708 5.965 1.00 0.00 C ATOM 266 CG LYS A 18 10.002 37.321 4.984 1.00 0.00 C ATOM 267 CD LYS A 18 10.269 36.802 3.568 1.00 0.00 C ATOM 268 CE LYS A 18 9.481 37.651 2.568 1.00 0.00 C ATOM 269 NZ LYS A 18 8.762 36.767 1.608 1.00 0.00 N1+ ATOM 0 H LYS A 18 10.966 39.046 6.736 1.00 0.00 H new ATOM 0 HA LYS A 18 9.581 36.754 7.588 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.007 37.068 5.750 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.020 35.624 5.854 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.985 37.071 5.285 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.082 38.408 5.003 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.335 36.850 3.344 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.973 35.756 3.489 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.768 38.284 3.097 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.157 38.314 2.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.256 37.350 0.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.447 36.157 1.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.080 36.176 2.125 1.00 0.00 H new ATOM 283 N GLN A 19 12.764 36.888 8.489 1.00 0.00 N ATOM 284 CA GLN A 19 13.729 36.281 9.398 1.00 0.00 C ATOM 285 C GLN A 19 13.224 36.321 10.832 1.00 0.00 C ATOM 286 O GLN A 19 13.309 35.326 11.552 1.00 0.00 O ATOM 287 CB GLN A 19 15.072 37.007 9.302 1.00 0.00 C ATOM 288 CG GLN A 19 15.908 36.363 8.198 1.00 0.00 C ATOM 289 CD GLN A 19 15.214 36.534 6.852 1.00 0.00 C ATOM 290 OE1 GLN A 19 15.218 37.625 6.286 1.00 0.00 O ATOM 291 NE2 GLN A 19 14.621 35.512 6.301 1.00 0.00 N ATOM 0 H GLN A 19 13.111 37.694 7.969 1.00 0.00 H new ATOM 0 HA GLN A 19 13.861 35.239 9.106 1.00 0.00 H new ATOM 0 HB2 GLN A 19 14.914 38.064 9.087 1.00 0.00 H new ATOM 0 HB3 GLN A 19 15.599 36.951 10.254 1.00 0.00 H new ATOM 0 HG2 GLN A 19 16.898 36.819 8.167 1.00 0.00 H new ATOM 0 HG3 GLN A 19 16.052 35.304 8.410 1.00 0.00 H new ATOM 0 HE21 GLN A 19 14.619 34.608 6.773 1.00 0.00 H new ATOM 0 HE22 GLN A 19 14.159 35.617 5.398 1.00 0.00 H new ATOM 300 N ASP A 20 12.697 37.464 11.251 1.00 0.00 N ATOM 301 CA ASP A 20 12.191 37.588 12.606 1.00 0.00 C ATOM 302 C ASP A 20 11.056 36.603 12.847 1.00 0.00 C ATOM 303 O ASP A 20 11.044 35.894 13.851 1.00 0.00 O ATOM 304 CB ASP A 20 11.694 39.014 12.836 1.00 0.00 C ATOM 305 CG ASP A 20 12.868 39.985 12.780 1.00 0.00 C ATOM 306 OD1 ASP A 20 13.967 39.571 13.109 1.00 0.00 O ATOM 307 OD2 ASP A 20 12.652 41.125 12.402 1.00 0.00 O1- ATOM 0 H ASP A 20 12.611 38.305 10.680 1.00 0.00 H new ATOM 0 HA ASP A 20 12.998 37.364 13.303 1.00 0.00 H new ATOM 0 HB2 ASP A 20 10.955 39.278 12.079 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.198 39.084 13.804 1.00 0.00 H new ATOM 312 N PHE A 21 10.109 36.546 11.916 1.00 0.00 N ATOM 313 CA PHE A 21 8.992 35.624 12.056 1.00 0.00 C ATOM 314 C PHE A 21 9.523 34.201 12.130 1.00 0.00 C ATOM 315 O PHE A 21 9.141 33.427 13.007 1.00 0.00 O ATOM 316 CB PHE A 21 8.044 35.764 10.865 1.00 0.00 C ATOM 317 CG PHE A 21 7.182 37.001 11.023 1.00 0.00 C ATOM 318 CD1 PHE A 21 7.578 38.047 11.876 1.00 0.00 C ATOM 319 CD2 PHE A 21 5.987 37.105 10.301 1.00 0.00 C ATOM 320 CE1 PHE A 21 6.778 39.189 12.003 1.00 0.00 C ATOM 321 CE2 PHE A 21 5.188 38.249 10.431 1.00 0.00 C ATOM 322 CZ PHE A 21 5.584 39.290 11.281 1.00 0.00 C ATOM 0 H PHE A 21 10.093 37.117 11.071 1.00 0.00 H new ATOM 0 HA PHE A 21 8.444 35.857 12.969 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.617 35.827 9.940 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.412 34.879 10.788 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.500 37.969 12.433 1.00 0.00 H new ATOM 0 HD2 PHE A 21 5.681 36.304 9.644 1.00 0.00 H new ATOM 0 HE1 PHE A 21 7.083 39.992 12.658 1.00 0.00 H new ATOM 0 HE2 PHE A 21 4.265 38.328 9.875 1.00 0.00 H new ATOM 0 HZ PHE A 21 4.967 40.171 11.379 1.00 0.00 H new ATOM 332 N ILE A 22 10.437 33.878 11.226 1.00 0.00 N ATOM 333 CA ILE A 22 11.047 32.561 11.223 1.00 0.00 C ATOM 334 C ILE A 22 11.700 32.336 12.575 1.00 0.00 C ATOM 335 O ILE A 22 11.549 31.281 13.193 1.00 0.00 O ATOM 336 CB ILE A 22 12.068 32.471 10.087 1.00 0.00 C ATOM 337 CG1 ILE A 22 11.319 32.507 8.753 1.00 0.00 C ATOM 338 CG2 ILE A 22 12.862 31.169 10.188 1.00 0.00 C ATOM 339 CD1 ILE A 22 12.312 32.668 7.602 1.00 0.00 C ATOM 0 H ILE A 22 10.768 34.505 10.493 1.00 0.00 H new ATOM 0 HA ILE A 22 10.298 31.787 11.057 1.00 0.00 H new ATOM 0 HB ILE A 22 12.762 33.309 10.156 1.00 0.00 H new ATOM 0 HG12 ILE A 22 10.745 31.590 8.624 1.00 0.00 H new ATOM 0 HG13 ILE A 22 10.607 33.332 8.748 1.00 0.00 H new ATOM 0 HG21 ILE A 22 13.584 31.119 9.373 1.00 0.00 H new ATOM 0 HG22 ILE A 22 13.388 31.137 11.142 1.00 0.00 H new ATOM 0 HG23 ILE A 22 12.180 30.321 10.121 1.00 0.00 H new ATOM 0 HD11 ILE A 22 11.771 32.693 6.656 1.00 0.00 H new ATOM 0 HD12 ILE A 22 12.867 33.598 7.727 1.00 0.00 H new ATOM 0 HD13 ILE A 22 13.007 31.828 7.601 1.00 0.00 H new ATOM 351 N SER A 23 12.398 33.359 13.049 1.00 0.00 N ATOM 352 CA SER A 23 13.031 33.283 14.350 1.00 0.00 C ATOM 353 C SER A 23 11.967 32.975 15.398 1.00 0.00 C ATOM 354 O SER A 23 12.162 32.139 16.276 1.00 0.00 O ATOM 355 CB SER A 23 13.715 34.610 14.676 1.00 0.00 C ATOM 356 OG SER A 23 14.491 34.463 15.856 1.00 0.00 O ATOM 0 H SER A 23 12.537 34.241 12.555 1.00 0.00 H new ATOM 0 HA SER A 23 13.784 32.495 14.347 1.00 0.00 H new ATOM 0 HB2 SER A 23 14.350 34.918 13.846 1.00 0.00 H new ATOM 0 HB3 SER A 23 12.969 35.392 14.813 1.00 0.00 H new ATOM 0 HG SER A 23 13.920 34.594 16.642 1.00 0.00 H new ATOM 362 N GLY A 24 10.836 33.659 15.285 1.00 0.00 N ATOM 363 CA GLY A 24 9.734 33.457 16.215 1.00 0.00 C ATOM 364 C GLY A 24 9.293 31.996 16.232 1.00 0.00 C ATOM 365 O GLY A 24 9.047 31.425 17.295 1.00 0.00 O ATOM 0 H GLY A 24 10.658 34.356 14.562 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.039 33.760 17.217 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.894 34.091 15.932 1.00 0.00 H new ATOM 369 N ILE A 25 9.201 31.393 15.049 1.00 0.00 N ATOM 370 CA ILE A 25 8.792 29.995 14.940 1.00 0.00 C ATOM 371 C ILE A 25 9.931 29.065 15.347 1.00 0.00 C ATOM 372 O ILE A 25 9.714 28.047 16.007 1.00 0.00 O ATOM 373 CB ILE A 25 8.388 29.686 13.494 1.00 0.00 C ATOM 374 CG1 ILE A 25 7.369 30.722 13.007 1.00 0.00 C ATOM 375 CG2 ILE A 25 7.774 28.284 13.418 1.00 0.00 C ATOM 376 CD1 ILE A 25 6.314 30.968 14.087 1.00 0.00 C ATOM 0 H ILE A 25 9.403 31.847 14.158 1.00 0.00 H new ATOM 0 HA ILE A 25 7.946 29.833 15.608 1.00 0.00 H new ATOM 0 HB ILE A 25 9.273 29.727 12.859 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.876 31.656 12.763 1.00 0.00 H new ATOM 0 HG13 ILE A 25 6.890 30.371 12.093 1.00 0.00 H new ATOM 0 HG21 ILE A 25 7.488 28.067 12.389 1.00 0.00 H new ATOM 0 HG22 ILE A 25 8.505 27.548 13.754 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.892 28.238 14.057 1.00 0.00 H new ATOM 0 HD11 ILE A 25 5.595 31.706 13.731 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.797 30.035 14.310 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.798 31.339 14.990 1.00 0.00 H new ATOM 388 N LEU A 26 11.147 29.412 14.938 1.00 0.00 N ATOM 389 CA LEU A 26 12.312 28.592 15.253 1.00 0.00 C ATOM 390 C LEU A 26 12.659 28.680 16.743 1.00 0.00 C ATOM 391 O LEU A 26 13.153 27.718 17.328 1.00 0.00 O ATOM 392 CB LEU A 26 13.503 29.023 14.384 1.00 0.00 C ATOM 393 CG LEU A 26 14.447 29.928 15.177 1.00 0.00 C ATOM 394 CD1 LEU A 26 15.275 29.078 16.144 1.00 0.00 C ATOM 395 CD2 LEU A 26 15.384 30.661 14.206 1.00 0.00 C ATOM 0 H LEU A 26 11.351 30.249 14.392 1.00 0.00 H new ATOM 0 HA LEU A 26 12.077 27.551 15.032 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.042 28.143 14.034 1.00 0.00 H new ATOM 0 HB3 LEU A 26 13.144 29.549 13.500 1.00 0.00 H new ATOM 0 HG LEU A 26 13.866 30.657 15.742 1.00 0.00 H new ATOM 0 HD11 LEU A 26 15.948 29.722 16.710 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.609 28.556 16.831 1.00 0.00 H new ATOM 0 HD13 LEU A 26 15.858 28.350 15.580 1.00 0.00 H new ATOM 0 HD21 LEU A 26 16.058 31.307 14.769 1.00 0.00 H new ATOM 0 HD22 LEU A 26 15.966 29.932 13.642 1.00 0.00 H new ATOM 0 HD23 LEU A 26 14.794 31.265 13.517 1.00 0.00 H new ATOM 407 N GLU A 27 12.377 29.828 17.359 1.00 0.00 N ATOM 408 CA GLU A 27 12.650 30.004 18.784 1.00 0.00 C ATOM 409 C GLU A 27 11.578 29.331 19.640 1.00 0.00 C ATOM 410 O GLU A 27 11.884 28.707 20.654 1.00 0.00 O ATOM 411 CB GLU A 27 12.713 31.491 19.143 1.00 0.00 C ATOM 412 CG GLU A 27 13.989 32.118 18.574 1.00 0.00 C ATOM 413 CD GLU A 27 14.093 33.571 19.023 1.00 0.00 C ATOM 414 OE1 GLU A 27 13.329 33.961 19.889 1.00 0.00 O1- ATOM 415 OE2 GLU A 27 14.941 34.269 18.498 1.00 0.00 O ATOM 0 H GLU A 27 11.965 30.640 16.900 1.00 0.00 H new ATOM 0 HA GLU A 27 13.613 29.537 18.989 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.838 32.006 18.746 1.00 0.00 H new ATOM 0 HB3 GLU A 27 12.691 31.613 20.226 1.00 0.00 H new ATOM 0 HG2 GLU A 27 14.862 31.560 18.912 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.978 32.064 17.485 1.00 0.00 H new ATOM 422 N ASN A 28 10.320 29.481 19.234 1.00 0.00 N ATOM 423 CA ASN A 28 9.206 28.904 19.983 1.00 0.00 C ATOM 424 C ASN A 28 9.053 27.407 19.709 1.00 0.00 C ATOM 425 O ASN A 28 9.714 26.850 18.835 1.00 0.00 O ATOM 426 CB ASN A 28 7.914 29.643 19.625 1.00 0.00 C ATOM 427 CG ASN A 28 7.581 29.432 18.153 1.00 0.00 C ATOM 428 OD1 ASN A 28 8.178 28.581 17.498 1.00 0.00 O ATOM 429 ND2 ASN A 28 6.659 30.163 17.587 1.00 0.00 N ATOM 0 H ASN A 28 10.047 29.994 18.396 1.00 0.00 H new ATOM 0 HA ASN A 28 9.415 29.020 21.047 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.095 29.282 20.247 1.00 0.00 H new ATOM 0 HB3 ASN A 28 8.025 30.707 19.832 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.434 30.028 16.601 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.163 30.870 18.131 1.00 0.00 H new ATOM 436 N GLU A 29 8.170 26.769 20.477 1.00 0.00 N ATOM 437 CA GLU A 29 7.917 25.337 20.332 1.00 0.00 C ATOM 438 C GLU A 29 7.347 25.027 18.946 1.00 0.00 C ATOM 439 O GLU A 29 7.548 23.937 18.407 1.00 0.00 O ATOM 440 CB GLU A 29 6.920 24.877 21.400 1.00 0.00 C ATOM 441 CG GLU A 29 6.959 23.352 21.515 1.00 0.00 C ATOM 442 CD GLU A 29 8.250 22.916 22.198 1.00 0.00 C ATOM 443 OE1 GLU A 29 8.818 23.726 22.912 1.00 0.00 O ATOM 444 OE2 GLU A 29 8.651 21.780 21.997 1.00 0.00 O1- ATOM 0 H GLU A 29 7.618 27.222 21.206 1.00 0.00 H new ATOM 0 HA GLU A 29 8.862 24.807 20.453 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.165 25.331 22.360 1.00 0.00 H new ATOM 0 HB3 GLU A 29 5.914 25.207 21.139 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.099 22.999 22.085 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.891 22.902 20.524 1.00 0.00 H new ATOM 451 N GLN A 30 6.627 25.997 18.389 1.00 0.00 N ATOM 452 CA GLN A 30 6.006 25.847 17.074 1.00 0.00 C ATOM 453 C GLN A 30 7.002 25.327 16.043 1.00 0.00 C ATOM 454 O GLN A 30 6.610 24.883 14.964 1.00 0.00 O ATOM 455 CB GLN A 30 5.470 27.198 16.605 1.00 0.00 C ATOM 456 CG GLN A 30 4.348 27.660 17.532 1.00 0.00 C ATOM 457 CD GLN A 30 3.964 29.094 17.190 1.00 0.00 C ATOM 458 OE1 GLN A 30 4.689 29.770 16.458 1.00 0.00 O ATOM 459 NE2 GLN A 30 2.868 29.608 17.675 1.00 0.00 N ATOM 0 H GLN A 30 6.458 26.901 18.830 1.00 0.00 H new ATOM 0 HA GLN A 30 5.194 25.126 17.167 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.273 27.935 16.596 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.100 27.118 15.583 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.483 27.006 17.427 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.671 27.597 18.571 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.267 29.049 18.281 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.611 30.569 17.448 1.00 0.00 H new ATOM 468 N LYS A 31 8.290 25.397 16.365 1.00 0.00 N ATOM 469 CA LYS A 31 9.309 24.935 15.434 1.00 0.00 C ATOM 470 C LYS A 31 9.058 23.477 15.065 1.00 0.00 C ATOM 471 O LYS A 31 9.305 23.061 13.933 1.00 0.00 O ATOM 472 CB LYS A 31 10.699 25.094 16.054 1.00 0.00 C ATOM 473 CG LYS A 31 10.894 24.061 17.163 1.00 0.00 C ATOM 474 CD LYS A 31 12.197 24.360 17.908 1.00 0.00 C ATOM 475 CE LYS A 31 13.265 23.343 17.501 1.00 0.00 C ATOM 476 NZ LYS A 31 12.780 21.965 17.798 1.00 0.00 N1+ ATOM 0 H LYS A 31 8.647 25.763 17.248 1.00 0.00 H new ATOM 0 HA LYS A 31 9.260 25.539 14.528 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.465 24.968 15.289 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.814 26.100 16.458 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.052 24.089 17.854 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.926 23.057 16.739 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.536 25.370 17.678 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.031 24.317 18.984 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.488 23.440 16.439 1.00 0.00 H new ATOM 0 HE3 LYS A 31 14.192 23.538 18.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.567 21.391 18.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.024 22.009 18.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.410 21.532 16.928 1.00 0.00 H new ATOM 490 N ASP A 32 8.541 22.710 16.021 1.00 0.00 N ATOM 491 CA ASP A 32 8.231 21.306 15.779 1.00 0.00 C ATOM 492 C ASP A 32 7.161 21.193 14.699 1.00 0.00 C ATOM 493 O ASP A 32 7.176 20.275 13.877 1.00 0.00 O ATOM 494 CB ASP A 32 7.703 20.664 17.065 1.00 0.00 C ATOM 495 CG ASP A 32 8.749 20.750 18.170 1.00 0.00 C ATOM 496 OD1 ASP A 32 9.923 20.617 17.864 1.00 0.00 O1- ATOM 497 OD2 ASP A 32 8.359 20.945 19.311 1.00 0.00 O ATOM 0 H ASP A 32 8.329 23.035 16.964 1.00 0.00 H new ATOM 0 HA ASP A 32 9.138 20.795 15.456 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.789 21.166 17.381 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.446 19.621 16.879 1.00 0.00 H new ATOM 502 N LEU A 33 6.227 22.135 14.724 1.00 0.00 N ATOM 503 CA LEU A 33 5.128 22.153 13.765 1.00 0.00 C ATOM 504 C LEU A 33 5.657 22.365 12.351 1.00 0.00 C ATOM 505 O LEU A 33 5.196 21.742 11.396 1.00 0.00 O ATOM 506 CB LEU A 33 4.174 23.288 14.129 1.00 0.00 C ATOM 507 CG LEU A 33 2.775 22.996 13.588 1.00 0.00 C ATOM 508 CD1 LEU A 33 1.751 23.799 14.393 1.00 0.00 C ATOM 509 CD2 LEU A 33 2.683 23.386 12.109 1.00 0.00 C ATOM 0 H LEU A 33 6.208 22.899 15.400 1.00 0.00 H new ATOM 0 HA LEU A 33 4.606 21.197 13.800 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.135 23.407 15.212 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.542 24.228 13.718 1.00 0.00 H new ATOM 0 HG LEU A 33 2.570 21.929 13.682 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.750 23.596 14.013 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.806 23.510 15.443 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.967 24.863 14.297 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.681 23.172 11.738 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.891 24.450 12.000 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.412 22.813 11.536 1.00 0.00 H new ATOM 521 N VAL A 34 6.646 23.236 12.234 1.00 0.00 N ATOM 522 CA VAL A 34 7.252 23.509 10.937 1.00 0.00 C ATOM 523 C VAL A 34 7.884 22.237 10.398 1.00 0.00 C ATOM 524 O VAL A 34 7.778 21.924 9.212 1.00 0.00 O ATOM 525 CB VAL A 34 8.308 24.618 11.088 1.00 0.00 C ATOM 526 CG1 VAL A 34 9.641 24.203 10.450 1.00 0.00 C ATOM 527 CG2 VAL A 34 7.810 25.886 10.393 1.00 0.00 C ATOM 0 H VAL A 34 7.044 23.762 13.012 1.00 0.00 H new ATOM 0 HA VAL A 34 6.490 23.846 10.234 1.00 0.00 H new ATOM 0 HB VAL A 34 8.466 24.796 12.152 1.00 0.00 H new ATOM 0 HG11 VAL A 34 10.368 25.006 10.572 1.00 0.00 H new ATOM 0 HG12 VAL A 34 10.012 23.301 10.936 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.491 24.007 9.388 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.555 26.675 10.497 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.645 25.680 9.335 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.874 26.208 10.850 1.00 0.00 H new ATOM 537 N ALA A 35 8.543 21.519 11.294 1.00 0.00 N ATOM 538 CA ALA A 35 9.208 20.277 10.939 1.00 0.00 C ATOM 539 C ALA A 35 8.206 19.248 10.414 1.00 0.00 C ATOM 540 O ALA A 35 8.472 18.563 9.424 1.00 0.00 O ATOM 541 CB ALA A 35 9.916 19.721 12.176 1.00 0.00 C ATOM 0 H ALA A 35 8.631 21.777 12.277 1.00 0.00 H new ATOM 0 HA ALA A 35 9.932 20.479 10.149 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.418 18.788 11.919 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.651 20.444 12.530 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.184 19.534 12.961 1.00 0.00 H new ATOM 689 N ASN A 45 11.453 26.336 8.300 1.00 0.00 N ATOM 690 CA ASN A 45 10.455 27.361 8.555 1.00 0.00 C ATOM 691 C ASN A 45 9.528 27.522 7.369 1.00 0.00 C ATOM 692 O ASN A 45 8.729 28.455 7.322 1.00 0.00 O ATOM 693 CB ASN A 45 11.136 28.687 8.879 1.00 0.00 C ATOM 694 CG ASN A 45 11.722 29.308 7.621 1.00 0.00 C ATOM 695 OD1 ASN A 45 10.990 29.856 6.795 1.00 0.00 O ATOM 696 ND2 ASN A 45 13.010 29.242 7.421 1.00 0.00 N ATOM 0 HA ASN A 45 9.857 27.051 9.412 1.00 0.00 H new ATOM 0 HB2 ASN A 45 10.416 29.372 9.328 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.925 28.527 9.614 1.00 0.00 H new ATOM 0 HD21 ASN A 45 13.416 29.645 6.577 1.00 0.00 H new ATOM 0 HD22 ASN A 45 13.610 28.787 8.109 1.00 0.00 H new ATOM 703 N GLN A 46 9.648 26.609 6.411 1.00 0.00 N ATOM 704 CA GLN A 46 8.810 26.663 5.221 1.00 0.00 C ATOM 705 C GLN A 46 9.102 27.940 4.439 1.00 0.00 C ATOM 706 O GLN A 46 8.188 28.616 3.978 1.00 0.00 O ATOM 707 CB GLN A 46 7.334 26.657 5.625 1.00 0.00 C ATOM 708 CG GLN A 46 7.011 25.395 6.428 1.00 0.00 C ATOM 709 CD GLN A 46 5.547 25.426 6.868 1.00 0.00 C ATOM 710 OE1 GLN A 46 5.249 25.646 8.123 1.00 0.00 O flip ATOM 711 NE2 GLN A 46 4.649 25.243 6.047 1.00 0.00 N flip ATOM 0 H GLN A 46 10.309 25.832 6.435 1.00 0.00 H new ATOM 0 HA GLN A 46 9.026 25.794 4.600 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.108 27.543 6.219 1.00 0.00 H new ATOM 0 HB3 GLN A 46 6.706 26.702 4.735 1.00 0.00 H new ATOM 0 HG2 GLN A 46 7.200 24.509 5.823 1.00 0.00 H new ATOM 0 HG3 GLN A 46 7.662 25.330 7.300 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.880 25.071 5.068 1.00 0.00 H new ATOM 0 HE22 GLN A 46 3.674 25.263 6.345 1.00 0.00 H new ATOM 720 N LEU A 47 10.376 28.284 4.321 1.00 0.00 N ATOM 721 CA LEU A 47 10.763 29.509 3.623 1.00 0.00 C ATOM 722 C LEU A 47 9.887 29.763 2.402 1.00 0.00 C ATOM 723 O LEU A 47 9.274 30.824 2.283 1.00 0.00 O ATOM 724 CB LEU A 47 12.227 29.414 3.176 1.00 0.00 C ATOM 725 CG LEU A 47 13.138 29.571 4.389 1.00 0.00 C ATOM 726 CD1 LEU A 47 14.446 28.815 4.156 1.00 0.00 C ATOM 727 CD2 LEU A 47 13.453 31.053 4.603 1.00 0.00 C ATOM 0 H LEU A 47 11.155 27.741 4.694 1.00 0.00 H new ATOM 0 HA LEU A 47 10.633 30.338 4.319 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.409 28.455 2.692 1.00 0.00 H new ATOM 0 HB3 LEU A 47 12.445 30.188 2.441 1.00 0.00 H new ATOM 0 HG LEU A 47 12.634 29.168 5.267 1.00 0.00 H new ATOM 0 HD11 LEU A 47 15.093 28.931 5.026 1.00 0.00 H new ATOM 0 HD12 LEU A 47 14.232 27.757 4.001 1.00 0.00 H new ATOM 0 HD13 LEU A 47 14.947 29.217 3.275 1.00 0.00 H new ATOM 0 HD21 LEU A 47 14.104 31.165 5.470 1.00 0.00 H new ATOM 0 HD22 LEU A 47 13.953 31.450 3.720 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.526 31.601 4.772 1.00 0.00 H new ATOM 739 N ASP A 48 9.861 28.804 1.483 1.00 0.00 N ATOM 740 CA ASP A 48 9.094 28.956 0.251 1.00 0.00 C ATOM 741 C ASP A 48 7.606 29.192 0.518 1.00 0.00 C ATOM 742 O ASP A 48 7.038 30.187 0.063 1.00 0.00 O ATOM 743 CB ASP A 48 9.228 27.687 -0.591 1.00 0.00 C ATOM 744 CG ASP A 48 10.681 27.451 -0.984 1.00 0.00 C ATOM 745 OD1 ASP A 48 11.425 28.414 -1.036 1.00 0.00 O ATOM 746 OD2 ASP A 48 11.031 26.307 -1.222 1.00 0.00 O1- ATOM 0 H ASP A 48 10.359 27.918 1.566 1.00 0.00 H new ATOM 0 HA ASP A 48 9.494 29.825 -0.271 1.00 0.00 H new ATOM 0 HB2 ASP A 48 8.855 26.831 -0.029 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.613 27.773 -1.487 1.00 0.00 H new ATOM 751 N LEU A 49 6.978 28.273 1.242 1.00 0.00 N ATOM 752 CA LEU A 49 5.554 28.398 1.533 1.00 0.00 C ATOM 753 C LEU A 49 5.284 29.556 2.488 1.00 0.00 C ATOM 754 O LEU A 49 4.311 30.290 2.324 1.00 0.00 O ATOM 755 CB LEU A 49 5.021 27.090 2.116 1.00 0.00 C ATOM 756 CG LEU A 49 4.848 26.075 0.989 1.00 0.00 C ATOM 757 CD1 LEU A 49 6.215 25.532 0.574 1.00 0.00 C ATOM 758 CD2 LEU A 49 3.967 24.922 1.472 1.00 0.00 C ATOM 0 H LEU A 49 7.424 27.444 1.634 1.00 0.00 H new ATOM 0 HA LEU A 49 5.034 28.609 0.599 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.711 26.704 2.867 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.068 27.262 2.617 1.00 0.00 H new ATOM 0 HG LEU A 49 4.377 26.560 0.134 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.090 24.807 -0.231 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.843 26.353 0.228 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.689 25.048 1.428 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.843 24.197 0.668 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.438 24.438 2.327 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.991 25.308 1.766 1.00 0.00 H new ATOM 770 N LEU A 50 6.139 29.703 3.490 1.00 0.00 N ATOM 771 CA LEU A 50 5.967 30.768 4.467 1.00 0.00 C ATOM 772 C LEU A 50 5.992 32.127 3.771 1.00 0.00 C ATOM 773 O LEU A 50 5.159 32.986 4.042 1.00 0.00 O ATOM 774 CB LEU A 50 7.099 30.694 5.503 1.00 0.00 C ATOM 775 CG LEU A 50 6.678 31.359 6.821 1.00 0.00 C ATOM 776 CD1 LEU A 50 7.917 31.615 7.684 1.00 0.00 C ATOM 777 CD2 LEU A 50 5.979 32.689 6.543 1.00 0.00 C ATOM 0 H LEU A 50 6.950 29.105 3.647 1.00 0.00 H new ATOM 0 HA LEU A 50 5.006 30.647 4.966 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.364 29.652 5.685 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.989 31.186 5.111 1.00 0.00 H new ATOM 0 HG LEU A 50 5.991 30.695 7.345 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.617 32.087 8.620 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.413 30.668 7.898 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.603 32.272 7.150 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.686 33.150 7.486 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.660 33.353 6.011 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.092 32.514 5.934 1.00 0.00 H new ATOM 789 N HIS A 51 6.952 32.326 2.869 1.00 0.00 N ATOM 790 CA HIS A 51 7.056 33.597 2.163 1.00 0.00 C ATOM 791 C HIS A 51 5.791 33.895 1.359 1.00 0.00 C ATOM 792 O HIS A 51 5.245 34.995 1.453 1.00 0.00 O ATOM 793 CB HIS A 51 8.282 33.578 1.249 1.00 0.00 C ATOM 794 CG HIS A 51 9.526 33.577 2.099 1.00 0.00 C ATOM 795 ND1 HIS A 51 10.771 33.940 1.604 1.00 0.00 N ATOM 796 CD2 HIS A 51 9.727 33.257 3.423 1.00 0.00 C ATOM 797 CE1 HIS A 51 11.654 33.834 2.616 1.00 0.00 C ATOM 798 NE2 HIS A 51 11.069 33.422 3.746 1.00 0.00 N ATOM 0 H HIS A 51 7.657 31.634 2.614 1.00 0.00 H new ATOM 0 HA HIS A 51 7.168 34.392 2.900 1.00 0.00 H new ATOM 0 HB2 HIS A 51 8.262 32.695 0.610 1.00 0.00 H new ATOM 0 HB3 HIS A 51 8.275 34.448 0.592 1.00 0.00 H new ATOM 0 HD1 HIS A 51 10.979 34.233 0.649 1.00 0.00 H new ATOM 0 HD2 HIS A 51 8.959 32.928 4.107 1.00 0.00 H new ATOM 0 HE1 HIS A 51 12.707 34.055 2.526 1.00 0.00 H new ATOM 807 N LYS A 52 5.319 32.925 0.575 1.00 0.00 N ATOM 808 CA LYS A 52 4.109 33.147 -0.214 1.00 0.00 C ATOM 809 C LYS A 52 2.939 33.439 0.719 1.00 0.00 C ATOM 810 O LYS A 52 2.184 34.388 0.513 1.00 0.00 O ATOM 811 CB LYS A 52 3.806 31.918 -1.077 1.00 0.00 C ATOM 812 CG LYS A 52 4.886 31.787 -2.153 1.00 0.00 C ATOM 813 CD LYS A 52 4.598 30.576 -3.042 1.00 0.00 C ATOM 814 CE LYS A 52 5.702 30.447 -4.092 1.00 0.00 C ATOM 815 NZ LYS A 52 6.087 29.015 -4.229 1.00 0.00 N1+ ATOM 0 H LYS A 52 5.742 32.003 0.471 1.00 0.00 H new ATOM 0 HA LYS A 52 4.263 34.001 -0.873 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.780 31.021 -0.459 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.824 32.015 -1.539 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.919 32.693 -2.758 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.865 31.680 -1.686 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.547 29.670 -2.438 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.629 30.689 -3.528 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.356 30.835 -5.050 1.00 0.00 H new ATOM 0 HE3 LYS A 52 6.568 31.042 -3.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.838 28.924 -4.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.433 28.660 -3.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.259 28.460 -4.525 1.00 0.00 H new ATOM 829 N TRP A 53 2.811 32.620 1.754 1.00 0.00 N ATOM 830 CA TRP A 53 1.756 32.788 2.747 1.00 0.00 C ATOM 831 C TRP A 53 1.861 34.175 3.381 1.00 0.00 C ATOM 832 O TRP A 53 0.892 34.935 3.420 1.00 0.00 O ATOM 833 CB TRP A 53 1.944 31.701 3.812 1.00 0.00 C ATOM 834 CG TRP A 53 0.813 31.677 4.793 1.00 0.00 C ATOM 835 CD1 TRP A 53 -0.284 30.891 4.701 1.00 0.00 C ATOM 836 CD2 TRP A 53 0.670 32.426 6.039 1.00 0.00 C ATOM 837 NE1 TRP A 53 -1.086 31.105 5.808 1.00 0.00 N ATOM 838 CE2 TRP A 53 -0.543 32.041 6.658 1.00 0.00 C ATOM 839 CE3 TRP A 53 1.467 33.386 6.690 1.00 0.00 C ATOM 840 CZ2 TRP A 53 -0.955 32.592 7.871 1.00 0.00 C ATOM 841 CZ3 TRP A 53 1.054 33.944 7.914 1.00 0.00 C ATOM 842 CH2 TRP A 53 -0.152 33.542 8.503 1.00 0.00 C ATOM 0 H TRP A 53 3.429 31.827 1.929 1.00 0.00 H new ATOM 0 HA TRP A 53 0.772 32.698 2.286 1.00 0.00 H new ATOM 0 HB2 TRP A 53 2.024 30.728 3.327 1.00 0.00 H new ATOM 0 HB3 TRP A 53 2.881 31.871 4.343 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.499 30.207 3.894 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -1.972 30.627 5.974 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.402 33.697 6.247 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.889 32.286 8.318 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.669 34.686 8.402 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -0.460 33.968 9.447 1.00 0.00 H new ATOM 853 N LEU A 54 3.054 34.483 3.879 1.00 0.00 N ATOM 854 CA LEU A 54 3.300 35.772 4.518 1.00 0.00 C ATOM 855 C LEU A 54 2.946 36.916 3.563 1.00 0.00 C ATOM 856 O LEU A 54 2.226 37.842 3.934 1.00 0.00 O ATOM 857 CB LEU A 54 4.775 35.877 4.925 1.00 0.00 C ATOM 858 CG LEU A 54 4.982 37.097 5.825 1.00 0.00 C ATOM 859 CD1 LEU A 54 4.565 36.760 7.258 1.00 0.00 C ATOM 860 CD2 LEU A 54 6.462 37.488 5.816 1.00 0.00 C ATOM 0 H LEU A 54 3.862 33.862 3.853 1.00 0.00 H new ATOM 0 HA LEU A 54 2.673 35.848 5.406 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.082 34.972 5.449 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.401 35.959 4.037 1.00 0.00 H new ATOM 0 HG LEU A 54 4.376 37.923 5.454 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.714 37.632 7.895 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.513 36.475 7.273 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.170 35.932 7.628 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.613 38.357 6.456 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.060 36.656 6.187 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.768 37.730 4.798 1.00 0.00 H new ATOM 872 N ASP A 55 3.459 36.848 2.333 1.00 0.00 N ATOM 873 CA ASP A 55 3.189 37.885 1.335 1.00 0.00 C ATOM 874 C ASP A 55 1.693 38.049 1.072 1.00 0.00 C ATOM 875 O ASP A 55 1.198 39.172 0.988 1.00 0.00 O ATOM 876 CB ASP A 55 3.914 37.559 0.026 1.00 0.00 C ATOM 877 CG ASP A 55 5.395 37.899 0.157 1.00 0.00 C ATOM 878 OD1 ASP A 55 5.744 38.581 1.104 1.00 0.00 O ATOM 879 OD2 ASP A 55 6.159 37.474 -0.693 1.00 0.00 O1- ATOM 0 H ASP A 55 4.060 36.091 2.005 1.00 0.00 H new ATOM 0 HA ASP A 55 3.561 38.828 1.735 1.00 0.00 H new ATOM 0 HB2 ASP A 55 3.794 36.502 -0.214 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.473 38.124 -0.795 1.00 0.00 H new ATOM 884 N ARG A 56 0.978 36.934 0.938 1.00 0.00 N ATOM 885 CA ARG A 56 -0.460 36.981 0.681 1.00 0.00 C ATOM 886 C ARG A 56 -1.192 37.675 1.825 1.00 0.00 C ATOM 887 O ARG A 56 -2.222 38.320 1.618 1.00 0.00 O ATOM 888 CB ARG A 56 -0.997 35.556 0.507 1.00 0.00 C ATOM 889 CG ARG A 56 -2.486 35.600 0.150 1.00 0.00 C ATOM 890 CD ARG A 56 -2.929 34.214 -0.318 1.00 0.00 C ATOM 891 NE ARG A 56 -2.875 33.268 0.794 1.00 0.00 N ATOM 892 CZ ARG A 56 -2.192 32.125 0.707 1.00 0.00 C ATOM 893 NH1 ARG A 56 -1.587 31.797 -0.405 1.00 0.00 N ATOM 894 NH2 ARG A 56 -2.139 31.323 1.734 1.00 0.00 N1+ ATOM 0 H ARG A 56 1.367 35.993 1.002 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.633 37.551 -0.232 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.441 35.042 -0.277 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -0.851 34.988 1.426 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.071 35.909 1.016 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.663 36.336 -0.634 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.943 34.263 -0.715 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.285 33.872 -1.128 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.371 33.487 1.658 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.635 32.417 -1.214 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.067 30.922 -0.464 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.619 31.570 2.600 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -1.618 30.448 1.672 1.00 0.00 H new ATOM 908 N HIS A 57 -0.654 37.530 3.029 1.00 0.00 N ATOM 909 CA HIS A 57 -1.258 38.138 4.207 1.00 0.00 C ATOM 910 C HIS A 57 -0.451 39.357 4.664 1.00 0.00 C ATOM 911 O HIS A 57 -0.618 39.826 5.787 1.00 0.00 O ATOM 912 CB HIS A 57 -1.325 37.108 5.341 1.00 0.00 C ATOM 913 CG HIS A 57 -2.256 35.982 4.960 1.00 0.00 C ATOM 914 ND1 HIS A 57 -3.105 36.050 3.863 1.00 0.00 N ATOM 915 CD2 HIS A 57 -2.487 34.752 5.533 1.00 0.00 C ATOM 916 CE1 HIS A 57 -3.798 34.896 3.813 1.00 0.00 C ATOM 917 NE2 HIS A 57 -3.462 34.072 4.808 1.00 0.00 N ATOM 0 H HIS A 57 0.196 36.999 3.215 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.265 38.467 3.950 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.329 36.714 5.545 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -1.673 37.585 6.257 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -1.988 34.372 6.412 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.536 34.665 3.059 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -3.839 33.143 4.997 1.00 0.00 H new ATOM 926 N ARG A 58 0.417 39.868 3.788 1.00 0.00 N ATOM 927 CA ARG A 58 1.238 41.033 4.116 1.00 0.00 C ATOM 928 C ARG A 58 0.376 42.200 4.583 1.00 0.00 C ATOM 929 O ARG A 58 0.764 42.949 5.478 1.00 0.00 O ATOM 930 CB ARG A 58 2.037 41.465 2.889 1.00 0.00 C ATOM 931 CG ARG A 58 1.075 41.882 1.779 1.00 0.00 C ATOM 932 CD ARG A 58 1.842 42.030 0.467 1.00 0.00 C ATOM 933 NE ARG A 58 2.933 42.988 0.610 1.00 0.00 N ATOM 934 CZ ARG A 58 3.628 43.398 -0.447 1.00 0.00 C ATOM 935 NH1 ARG A 58 3.309 42.979 -1.643 1.00 0.00 N ATOM 936 NH2 ARG A 58 4.625 44.225 -0.289 1.00 0.00 N1+ ATOM 0 H ARG A 58 0.568 39.495 2.851 1.00 0.00 H new ATOM 0 HA ARG A 58 1.913 40.751 4.924 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.697 42.294 3.144 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.671 40.647 2.548 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.286 41.138 1.669 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.591 42.824 2.038 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.240 41.062 0.162 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.164 42.359 -0.321 1.00 0.00 H new ATOM 0 HE ARG A 58 3.166 43.349 1.535 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.526 42.337 -1.766 1.00 0.00 H new ATOM 0 HH12 ARG A 58 3.843 43.294 -2.453 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.870 44.556 0.644 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.159 44.540 -1.099 1.00 0.00 H new ATOM 950 N ASP A 59 -0.796 42.348 3.972 1.00 0.00 N ATOM 951 CA ASP A 59 -1.698 43.431 4.342 1.00 0.00 C ATOM 952 C ASP A 59 -2.032 43.345 5.829 1.00 0.00 C ATOM 953 O ASP A 59 -2.336 44.352 6.469 1.00 0.00 O ATOM 954 CB ASP A 59 -2.976 43.367 3.504 1.00 0.00 C ATOM 955 CG ASP A 59 -2.676 43.809 2.074 1.00 0.00 C ATOM 956 OD1 ASP A 59 -1.561 44.239 1.829 1.00 0.00 O1- ATOM 957 OD2 ASP A 59 -3.566 43.718 1.247 1.00 0.00 O ATOM 0 H ASP A 59 -1.139 41.740 3.228 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.205 44.383 4.147 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.373 42.352 3.505 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.741 44.009 3.940 1.00 0.00 H new ATOM 962 N MET A 60 -1.968 42.127 6.368 1.00 0.00 N ATOM 963 CA MET A 60 -2.257 41.889 7.781 1.00 0.00 C ATOM 964 C MET A 60 -1.349 42.738 8.670 1.00 0.00 C ATOM 965 O MET A 60 -1.717 43.103 9.786 1.00 0.00 O ATOM 966 CB MET A 60 -2.014 40.411 8.112 1.00 0.00 C ATOM 967 CG MET A 60 -0.515 40.193 8.363 1.00 0.00 C ATOM 968 SD MET A 60 -0.103 38.439 8.178 1.00 0.00 S ATOM 969 CE MET A 60 -1.147 37.805 9.513 1.00 0.00 C ATOM 0 H MET A 60 -1.718 41.288 5.845 1.00 0.00 H new ATOM 0 HA MET A 60 -3.297 42.157 7.966 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.589 40.123 8.992 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.353 39.781 7.290 1.00 0.00 H new ATOM 0 HG2 MET A 60 0.070 40.788 7.661 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.253 40.533 9.365 1.00 0.00 H new ATOM 0 HE1 MET A 60 -0.828 36.797 9.777 1.00 0.00 H new ATOM 0 HE2 MET A 60 -1.057 38.454 10.384 1.00 0.00 H new ATOM 0 HE3 MET A 60 -2.186 37.782 9.183 1.00 0.00 H new ATOM 979 N CYS A 61 -0.154 43.029 8.171 1.00 0.00 N ATOM 980 CA CYS A 61 0.825 43.813 8.927 1.00 0.00 C ATOM 981 C CYS A 61 0.317 45.219 9.228 1.00 0.00 C ATOM 982 O CYS A 61 0.724 45.833 10.215 1.00 0.00 O ATOM 983 CB CYS A 61 2.124 43.920 8.133 1.00 0.00 C ATOM 984 SG CYS A 61 1.941 45.202 6.866 1.00 0.00 S ATOM 0 H CYS A 61 0.164 42.736 7.247 1.00 0.00 H new ATOM 0 HA CYS A 61 0.995 43.298 9.873 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.952 44.164 8.798 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.360 42.963 7.668 1.00 0.00 H new ATOM 0 HG CYS A 61 3.098 45.743 6.626 1.00 0.00 H new ATOM 990 N GLU A 62 -0.544 45.737 8.365 1.00 0.00 N ATOM 991 CA GLU A 62 -1.070 47.087 8.545 1.00 0.00 C ATOM 992 C GLU A 62 -2.020 47.161 9.736 1.00 0.00 C ATOM 993 O GLU A 62 -2.390 48.253 10.169 1.00 0.00 O ATOM 994 CB GLU A 62 -1.810 47.535 7.281 1.00 0.00 C ATOM 995 CG GLU A 62 -0.835 47.609 6.105 1.00 0.00 C ATOM 996 CD GLU A 62 -1.562 48.119 4.861 1.00 0.00 C ATOM 997 OE1 GLU A 62 -2.777 48.161 4.888 1.00 0.00 O1- ATOM 998 OE2 GLU A 62 -0.894 48.458 3.903 1.00 0.00 O ATOM 0 H GLU A 62 -0.893 45.250 7.539 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.225 47.749 8.735 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.615 46.836 7.054 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.270 48.509 7.445 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.005 48.272 6.350 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.410 46.624 5.911 1.00 0.00 H new ATOM 1005 N LYS A 63 -2.443 46.007 10.248 1.00 0.00 N ATOM 1006 CA LYS A 63 -3.376 45.979 11.371 1.00 0.00 C ATOM 1007 C LYS A 63 -2.651 46.024 12.715 1.00 0.00 C ATOM 1008 O LYS A 63 -3.234 45.700 13.745 1.00 0.00 O ATOM 1009 CB LYS A 63 -4.228 44.713 11.297 1.00 0.00 C ATOM 1010 CG LYS A 63 -4.968 44.696 9.963 1.00 0.00 C ATOM 1011 CD LYS A 63 -5.957 43.532 9.927 1.00 0.00 C ATOM 1012 CE LYS A 63 -6.587 43.456 8.533 1.00 0.00 C ATOM 1013 NZ LYS A 63 -5.965 44.482 7.650 1.00 0.00 N1+ ATOM 0 H LYS A 63 -2.158 45.089 9.907 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.007 46.865 11.300 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.598 43.828 11.391 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.939 44.687 12.123 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.497 45.638 9.820 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.255 44.603 9.144 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.447 42.597 10.161 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.730 43.671 10.683 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.442 42.462 8.111 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.662 43.621 8.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.439 44.477 6.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.065 45.421 8.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.956 44.265 7.523 1.00 0.00 H new ATOM 1027 N TRP A 64 -1.390 46.443 12.707 1.00 0.00 N ATOM 1028 CA TRP A 64 -0.633 46.541 13.953 1.00 0.00 C ATOM 1029 C TRP A 64 0.657 47.333 13.753 1.00 0.00 C ATOM 1030 O TRP A 64 0.998 48.192 14.567 1.00 0.00 O ATOM 1031 CB TRP A 64 -0.299 45.152 14.502 1.00 0.00 C ATOM 1032 CG TRP A 64 -0.616 44.103 13.488 1.00 0.00 C ATOM 1033 CD1 TRP A 64 0.079 43.882 12.352 1.00 0.00 C ATOM 1034 CD2 TRP A 64 -1.689 43.120 13.510 1.00 0.00 C ATOM 1035 NE1 TRP A 64 -0.502 42.830 11.670 1.00 0.00 N ATOM 1036 CE2 TRP A 64 -1.596 42.326 12.343 1.00 0.00 C ATOM 1037 CE3 TRP A 64 -2.725 42.848 14.419 1.00 0.00 C ATOM 1038 CZ2 TRP A 64 -2.499 41.295 12.087 1.00 0.00 C ATOM 1039 CZ3 TRP A 64 -3.637 41.811 14.164 1.00 0.00 C ATOM 1040 CH2 TRP A 64 -3.524 41.036 13.003 1.00 0.00 C ATOM 0 H TRP A 64 -0.877 46.716 11.869 1.00 0.00 H new ATOM 0 HA TRP A 64 -1.261 47.066 14.673 1.00 0.00 H new ATOM 0 HB2 TRP A 64 0.757 45.103 14.768 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -0.866 44.968 15.415 1.00 0.00 H new ATOM 0 HD1 TRP A 64 0.947 44.437 12.029 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -0.163 42.470 10.778 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.820 43.439 15.318 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -2.408 40.702 11.189 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -4.431 41.610 14.868 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.228 40.239 12.815 1.00 0.00 H new ATOM 1051 N LYS A 65 1.377 47.033 12.676 1.00 0.00 N ATOM 1052 CA LYS A 65 2.631 47.717 12.391 1.00 0.00 C ATOM 1053 C LYS A 65 3.692 47.321 13.413 1.00 0.00 C ATOM 1054 O LYS A 65 4.859 47.701 13.295 1.00 0.00 O ATOM 1055 CB LYS A 65 2.427 49.229 12.458 1.00 0.00 C ATOM 1056 CG LYS A 65 3.572 49.927 11.723 1.00 0.00 C ATOM 1057 CD LYS A 65 3.502 51.429 11.992 1.00 0.00 C ATOM 1058 CE LYS A 65 4.610 52.139 11.216 1.00 0.00 C ATOM 1059 NZ LYS A 65 5.602 52.704 12.173 1.00 0.00 N1+ ATOM 0 H LYS A 65 1.114 46.325 11.991 1.00 0.00 H new ATOM 0 HA LYS A 65 2.959 47.430 11.392 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.472 49.499 12.007 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.393 49.557 13.497 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.530 49.530 12.058 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.504 49.734 10.652 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.528 51.817 11.693 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.609 51.623 13.059 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.100 51.440 10.538 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.187 52.934 10.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.357 53.188 11.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.129 53.384 12.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.014 51.936 12.740 1.00 0.00 H new ATOM 1073 N SER A 66 3.271 46.577 14.429 1.00 0.00 N ATOM 1074 CA SER A 66 4.179 46.155 15.485 1.00 0.00 C ATOM 1075 C SER A 66 4.968 44.918 15.073 1.00 0.00 C ATOM 1076 O SER A 66 5.165 44.657 13.885 1.00 0.00 O ATOM 1077 CB SER A 66 3.391 45.853 16.757 1.00 0.00 C ATOM 1078 OG SER A 66 2.820 44.558 16.650 1.00 0.00 O ATOM 0 H SER A 66 2.310 46.255 14.543 1.00 0.00 H new ATOM 0 HA SER A 66 4.882 46.968 15.669 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.046 45.905 17.627 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.609 46.599 16.901 1.00 0.00 H new ATOM 0 HG SER A 66 2.561 44.391 15.720 1.00 0.00 H new ATOM 1084 N LYS A 67 5.443 44.174 16.067 1.00 0.00 N ATOM 1085 CA LYS A 67 6.234 42.983 15.805 1.00 0.00 C ATOM 1086 C LYS A 67 5.765 41.793 16.638 1.00 0.00 C ATOM 1087 O LYS A 67 5.319 40.783 16.093 1.00 0.00 O ATOM 1088 CB LYS A 67 7.698 43.288 16.120 1.00 0.00 C ATOM 1089 CG LYS A 67 8.562 42.064 15.844 1.00 0.00 C ATOM 1090 CD LYS A 67 10.021 42.415 16.141 1.00 0.00 C ATOM 1091 CE LYS A 67 10.941 41.277 15.703 1.00 0.00 C ATOM 1092 NZ LYS A 67 12.348 41.619 16.069 1.00 0.00 N1+ ATOM 0 H LYS A 67 5.293 44.376 17.056 1.00 0.00 H new ATOM 0 HA LYS A 67 6.114 42.714 14.756 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.040 44.128 15.515 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.799 43.585 17.164 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.241 41.227 16.465 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.453 41.751 14.806 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.294 43.333 15.621 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.147 42.603 17.207 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.643 40.346 16.184 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.860 41.120 14.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.981 40.848 15.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 12.627 42.499 15.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 12.417 41.748 17.099 1.00 0.00 H new ATOM 1106 N GLU A 68 5.884 41.907 17.960 1.00 0.00 N ATOM 1107 CA GLU A 68 5.487 40.816 18.845 1.00 0.00 C ATOM 1108 C GLU A 68 4.001 40.491 18.698 1.00 0.00 C ATOM 1109 O GLU A 68 3.597 39.323 18.758 1.00 0.00 O ATOM 1110 CB GLU A 68 5.776 41.185 20.302 1.00 0.00 C ATOM 1111 CG GLU A 68 5.426 39.997 21.198 1.00 0.00 C ATOM 1112 CD GLU A 68 5.624 40.366 22.664 1.00 0.00 C ATOM 1113 OE1 GLU A 68 4.986 41.306 23.107 1.00 0.00 O1- ATOM 1114 OE2 GLU A 68 6.404 39.702 23.321 1.00 0.00 O ATOM 0 H GLU A 68 6.247 42.733 18.436 1.00 0.00 H new ATOM 0 HA GLU A 68 6.067 39.937 18.562 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.827 41.449 20.422 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.192 42.059 20.591 1.00 0.00 H new ATOM 0 HG2 GLU A 68 4.392 39.696 21.028 1.00 0.00 H new ATOM 0 HG3 GLU A 68 6.053 39.143 20.943 1.00 0.00 H new ATOM 1121 N ASP A 69 3.181 41.515 18.510 1.00 0.00 N ATOM 1122 CA ASP A 69 1.748 41.282 18.365 1.00 0.00 C ATOM 1123 C ASP A 69 1.485 40.422 17.136 1.00 0.00 C ATOM 1124 O ASP A 69 0.668 39.502 17.167 1.00 0.00 O ATOM 1125 CB ASP A 69 0.990 42.605 18.244 1.00 0.00 C ATOM 1126 CG ASP A 69 1.202 43.441 19.502 1.00 0.00 C ATOM 1127 OD1 ASP A 69 1.026 42.904 20.582 1.00 0.00 O1- ATOM 1128 OD2 ASP A 69 1.534 44.607 19.366 1.00 0.00 O ATOM 0 H ASP A 69 3.471 42.491 18.455 1.00 0.00 H new ATOM 0 HA ASP A 69 1.393 40.762 19.255 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.337 43.154 17.369 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.073 42.413 18.099 1.00 0.00 H new ATOM 1133 N ILE A 70 2.180 40.734 16.047 1.00 0.00 N ATOM 1134 CA ILE A 70 2.006 39.986 14.811 1.00 0.00 C ATOM 1135 C ILE A 70 2.322 38.505 15.034 1.00 0.00 C ATOM 1136 O ILE A 70 1.613 37.631 14.539 1.00 0.00 O ATOM 1137 CB ILE A 70 2.918 40.548 13.712 1.00 0.00 C ATOM 1138 CG1 ILE A 70 2.637 42.041 13.521 1.00 0.00 C ATOM 1139 CG2 ILE A 70 2.630 39.817 12.404 1.00 0.00 C ATOM 1140 CD1 ILE A 70 3.599 42.618 12.478 1.00 0.00 C ATOM 0 H ILE A 70 2.861 41.491 15.996 1.00 0.00 H new ATOM 0 HA ILE A 70 0.967 40.085 14.496 1.00 0.00 H new ATOM 0 HB ILE A 70 3.960 40.408 13.999 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.606 42.189 13.200 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.754 42.567 14.468 1.00 0.00 H new ATOM 0 HG21 ILE A 70 3.274 40.211 11.618 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.823 38.752 12.532 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.586 39.965 12.126 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.396 43.681 12.345 1.00 0.00 H new ATOM 0 HD12 ILE A 70 4.626 42.484 12.817 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.460 42.100 11.529 1.00 0.00 H new ATOM 1152 N LEU A 71 3.396 38.237 15.776 1.00 0.00 N ATOM 1153 CA LEU A 71 3.801 36.859 16.050 1.00 0.00 C ATOM 1154 C LEU A 71 2.663 36.082 16.689 1.00 0.00 C ATOM 1155 O LEU A 71 2.401 34.934 16.336 1.00 0.00 O ATOM 1156 CB LEU A 71 4.985 36.837 17.015 1.00 0.00 C ATOM 1157 CG LEU A 71 6.155 37.634 16.443 1.00 0.00 C ATOM 1158 CD1 LEU A 71 7.379 37.450 17.345 1.00 0.00 C ATOM 1159 CD2 LEU A 71 6.476 37.134 15.034 1.00 0.00 C ATOM 0 H LEU A 71 3.996 38.948 16.194 1.00 0.00 H new ATOM 0 HA LEU A 71 4.077 36.402 15.100 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.687 37.256 17.976 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.293 35.808 17.198 1.00 0.00 H new ATOM 0 HG LEU A 71 5.890 38.690 16.397 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.217 38.017 16.941 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.149 37.808 18.348 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.643 36.393 17.389 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.311 37.704 14.627 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.743 36.078 15.075 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.603 37.263 14.394 1.00 0.00 H new ATOM 1171 N HIS A 72 1.991 36.722 17.636 1.00 0.00 N ATOM 1172 CA HIS A 72 0.876 36.085 18.331 1.00 0.00 C ATOM 1173 C HIS A 72 -0.238 35.708 17.361 1.00 0.00 C ATOM 1174 O HIS A 72 -0.761 34.597 17.407 1.00 0.00 O ATOM 1175 CB HIS A 72 0.317 37.026 19.396 1.00 0.00 C ATOM 1176 CG HIS A 72 1.293 37.155 20.532 1.00 0.00 C ATOM 1177 ND1 HIS A 72 1.801 36.051 21.201 1.00 0.00 N ATOM 1178 CD2 HIS A 72 1.846 38.250 21.142 1.00 0.00 C ATOM 1179 CE1 HIS A 72 2.615 36.503 22.171 1.00 0.00 C ATOM 1180 NE2 HIS A 72 2.679 37.837 22.179 1.00 0.00 N ATOM 0 H HIS A 72 2.194 37.674 17.940 1.00 0.00 H new ATOM 0 HA HIS A 72 1.252 35.176 18.800 1.00 0.00 H new ATOM 0 HB2 HIS A 72 0.122 38.006 18.961 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -0.635 36.646 19.765 1.00 0.00 H new ATOM 0 HD2 HIS A 72 1.664 39.277 20.862 1.00 0.00 H new ATOM 0 HE1 HIS A 72 3.151 35.866 22.859 1.00 0.00 H new ATOM 0 HE2 HIS A 72 3.222 38.427 22.810 1.00 0.00 H new ATOM 1189 N LYS A 73 -0.597 36.636 16.484 1.00 0.00 N ATOM 1190 CA LYS A 73 -1.655 36.376 15.512 1.00 0.00 C ATOM 1191 C LYS A 73 -1.268 35.220 14.597 1.00 0.00 C ATOM 1192 O LYS A 73 -2.032 34.268 14.433 1.00 0.00 O ATOM 1193 CB LYS A 73 -1.949 37.637 14.699 1.00 0.00 C ATOM 1194 CG LYS A 73 -2.878 38.567 15.501 1.00 0.00 C ATOM 1195 CD LYS A 73 -2.461 38.610 16.978 1.00 0.00 C ATOM 1196 CE LYS A 73 -3.071 39.851 17.635 1.00 0.00 C ATOM 1197 NZ LYS A 73 -3.466 39.537 19.040 1.00 0.00 N1+ ATOM 0 H LYS A 73 -0.179 37.564 16.424 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.561 36.094 16.049 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.019 38.153 14.461 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -2.416 37.370 13.751 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -2.846 39.572 15.080 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -3.908 38.219 15.419 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -2.798 37.709 17.490 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -1.375 38.636 17.061 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -2.352 40.670 17.624 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -3.941 40.183 17.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -3.880 40.383 19.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -4.167 38.769 19.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -2.627 39.240 19.578 1.00 0.00 H new ATOM 1211 N LEU A 74 -0.084 35.293 14.002 1.00 0.00 N ATOM 1212 CA LEU A 74 0.361 34.221 13.125 1.00 0.00 C ATOM 1213 C LEU A 74 0.347 32.899 13.880 1.00 0.00 C ATOM 1214 O LEU A 74 0.034 31.857 13.310 1.00 0.00 O ATOM 1215 CB LEU A 74 1.769 34.495 12.588 1.00 0.00 C ATOM 1216 CG LEU A 74 1.701 35.442 11.386 1.00 0.00 C ATOM 1217 CD1 LEU A 74 1.252 36.831 11.827 1.00 0.00 C ATOM 1218 CD2 LEU A 74 3.087 35.550 10.741 1.00 0.00 C ATOM 0 H LEU A 74 0.572 36.066 14.108 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.323 34.167 12.278 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.386 34.934 13.372 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.244 33.558 12.296 1.00 0.00 H new ATOM 0 HG LEU A 74 0.983 35.044 10.669 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.209 37.492 10.961 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.264 36.766 12.283 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.961 37.229 12.552 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.039 36.224 9.886 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.798 35.939 11.470 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.411 34.564 10.408 1.00 0.00 H new ATOM 1230 N ASN A 75 0.674 32.947 15.168 1.00 0.00 N ATOM 1231 CA ASN A 75 0.680 31.735 15.980 1.00 0.00 C ATOM 1232 C ASN A 75 -0.687 31.058 15.922 1.00 0.00 C ATOM 1233 O ASN A 75 -0.781 29.853 15.675 1.00 0.00 O ATOM 1234 CB ASN A 75 1.026 32.084 17.429 1.00 0.00 C ATOM 1235 CG ASN A 75 2.396 32.748 17.490 1.00 0.00 C ATOM 1236 OD1 ASN A 75 3.208 32.581 16.581 1.00 0.00 O ATOM 1237 ND2 ASN A 75 2.703 33.499 18.514 1.00 0.00 N ATOM 0 H ASN A 75 0.935 33.798 15.666 1.00 0.00 H new ATOM 0 HA ASN A 75 1.431 31.049 15.587 1.00 0.00 H new ATOM 0 HB2 ASN A 75 0.270 32.752 17.842 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.022 31.182 18.040 1.00 0.00 H new ATOM 0 HD21 ASN A 75 3.618 33.948 18.561 1.00 0.00 H new ATOM 0 HD22 ASN A 75 2.028 33.636 19.266 1.00 0.00 H new ATOM 1244 N GLU A 76 -1.746 31.838 16.144 1.00 0.00 N ATOM 1245 CA GLU A 76 -3.102 31.290 16.101 1.00 0.00 C ATOM 1246 C GLU A 76 -3.447 30.825 14.690 1.00 0.00 C ATOM 1247 O GLU A 76 -4.094 29.795 14.510 1.00 0.00 O ATOM 1248 CB GLU A 76 -4.128 32.328 16.570 1.00 0.00 C ATOM 1249 CG GLU A 76 -4.013 32.531 18.086 1.00 0.00 C ATOM 1250 CD GLU A 76 -3.149 33.750 18.398 1.00 0.00 C ATOM 1251 OE1 GLU A 76 -2.960 34.559 17.514 1.00 0.00 O1- ATOM 1252 OE2 GLU A 76 -2.695 33.860 19.522 1.00 0.00 O ATOM 0 H GLU A 76 -1.694 32.835 16.352 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.138 30.435 16.776 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.962 33.274 16.054 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.135 31.998 16.314 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.005 32.661 18.518 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -3.579 31.643 18.546 1.00 0.00 H new ATOM 1259 N GLN A 77 -2.988 31.569 13.690 1.00 0.00 N ATOM 1260 CA GLN A 77 -3.237 31.197 12.304 1.00 0.00 C ATOM 1261 C GLN A 77 -2.436 29.952 11.946 1.00 0.00 C ATOM 1262 O GLN A 77 -2.899 29.095 11.195 1.00 0.00 O ATOM 1263 CB GLN A 77 -2.831 32.342 11.377 1.00 0.00 C ATOM 1264 CG GLN A 77 -3.836 33.489 11.493 1.00 0.00 C ATOM 1265 CD GLN A 77 -5.119 33.141 10.743 1.00 0.00 C ATOM 1266 OE1 GLN A 77 -5.066 32.608 9.636 1.00 0.00 O ATOM 1267 NE2 GLN A 77 -6.273 33.417 11.281 1.00 0.00 N ATOM 0 H GLN A 77 -2.447 32.425 13.812 1.00 0.00 H new ATOM 0 HA GLN A 77 -4.300 30.990 12.183 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -1.833 32.694 11.636 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -2.787 31.989 10.347 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -4.060 33.682 12.542 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -3.404 34.403 11.086 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -6.315 33.859 12.199 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -7.135 33.191 10.784 1.00 0.00 H new ATOM 1276 N TRP A 78 -1.225 29.868 12.488 1.00 0.00 N ATOM 1277 CA TRP A 78 -0.346 28.738 12.223 1.00 0.00 C ATOM 1278 C TRP A 78 -1.004 27.413 12.619 1.00 0.00 C ATOM 1279 O TRP A 78 -0.993 26.456 11.845 1.00 0.00 O ATOM 1280 CB TRP A 78 0.962 28.914 12.998 1.00 0.00 C ATOM 1281 CG TRP A 78 2.103 28.376 12.197 1.00 0.00 C ATOM 1282 CD1 TRP A 78 2.340 27.069 11.966 1.00 0.00 C ATOM 1283 CD2 TRP A 78 3.171 29.110 11.526 1.00 0.00 C ATOM 1284 NE1 TRP A 78 3.479 26.947 11.195 1.00 0.00 N ATOM 1285 CE2 TRP A 78 4.031 28.178 10.896 1.00 0.00 C ATOM 1286 CE3 TRP A 78 3.473 30.479 11.402 1.00 0.00 C ATOM 1287 CZ2 TRP A 78 5.148 28.588 10.172 1.00 0.00 C ATOM 1288 CZ3 TRP A 78 4.600 30.895 10.674 1.00 0.00 C ATOM 1289 CH2 TRP A 78 5.434 29.952 10.060 1.00 0.00 C ATOM 0 H TRP A 78 -0.831 30.571 13.114 1.00 0.00 H new ATOM 0 HA TRP A 78 -0.144 28.709 11.152 1.00 0.00 H new ATOM 0 HB2 TRP A 78 1.126 29.969 13.218 1.00 0.00 H new ATOM 0 HB3 TRP A 78 0.901 28.395 13.955 1.00 0.00 H new ATOM 0 HD1 TRP A 78 1.736 26.249 12.326 1.00 0.00 H new ATOM 0 HE1 TRP A 78 3.866 26.056 10.884 1.00 0.00 H new ATOM 0 HE3 TRP A 78 2.834 31.214 11.869 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 5.789 27.857 9.700 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 4.825 31.948 10.587 1.00 0.00 H new ATOM 0 HH2 TRP A 78 6.298 30.278 9.500 1.00 0.00 H new ATOM 1300 N ASN A 79 -1.577 27.358 13.824 1.00 0.00 N ATOM 1301 CA ASN A 79 -2.225 26.135 14.288 1.00 0.00 C ATOM 1302 C ASN A 79 -3.497 25.887 13.493 1.00 0.00 C ATOM 1303 O ASN A 79 -3.871 24.745 13.226 1.00 0.00 O ATOM 1304 CB ASN A 79 -2.571 26.237 15.777 1.00 0.00 C ATOM 1305 CG ASN A 79 -1.319 26.539 16.596 1.00 0.00 C ATOM 1306 OD1 ASN A 79 -0.180 26.731 15.985 1.00 0.00 O flip ATOM 1307 ND2 ASN A 79 -1.381 26.601 17.825 1.00 0.00 N flip ATOM 0 H ASN A 79 -1.604 28.134 14.485 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.533 25.306 14.141 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.312 27.021 15.932 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.019 25.303 16.117 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.272 26.451 18.299 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.542 26.803 18.368 1.00 0.00 H new ATOM 1314 N LYS A 80 -4.159 26.975 13.125 1.00 0.00 N ATOM 1315 CA LYS A 80 -5.397 26.893 12.365 1.00 0.00 C ATOM 1316 C LYS A 80 -5.105 26.703 10.877 1.00 0.00 C ATOM 1317 O LYS A 80 -6.012 26.464 10.081 1.00 0.00 O ATOM 1318 CB LYS A 80 -6.202 28.174 12.579 1.00 0.00 C ATOM 1319 CG LYS A 80 -7.643 27.953 12.131 1.00 0.00 C ATOM 1320 CD LYS A 80 -8.301 29.300 11.827 1.00 0.00 C ATOM 1321 CE LYS A 80 -8.619 30.021 13.138 1.00 0.00 C ATOM 1322 NZ LYS A 80 -9.665 29.259 13.875 1.00 0.00 N1+ ATOM 0 H LYS A 80 -3.859 27.926 13.341 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.971 26.034 12.712 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -6.177 28.460 13.631 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -5.757 28.994 12.015 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -7.665 27.318 11.245 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -8.200 27.433 12.910 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -7.637 29.911 11.216 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -9.215 29.149 11.252 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -7.719 30.108 13.747 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -8.966 31.034 12.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -10.193 29.905 14.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -10.319 28.820 13.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -9.215 28.518 14.450 1.00 0.00 H new ATOM 1336 N ASP A 81 -3.831 26.804 10.510 1.00 0.00 N ATOM 1337 CA ASP A 81 -3.435 26.638 9.118 1.00 0.00 C ATOM 1338 C ASP A 81 -3.894 25.280 8.595 1.00 0.00 C ATOM 1339 O ASP A 81 -3.750 24.307 9.318 1.00 0.00 O ATOM 1340 CB ASP A 81 -1.915 26.752 8.989 1.00 0.00 C ATOM 1341 CG ASP A 81 -1.509 26.743 7.519 1.00 0.00 C ATOM 1342 OD1 ASP A 81 -2.392 26.776 6.679 1.00 0.00 O ATOM 1343 OD2 ASP A 81 -0.320 26.702 7.258 1.00 0.00 O1- ATOM 1344 OXT ASP A 81 -4.377 25.231 7.478 1.00 0.00 O ATOM 0 H ASP A 81 -3.062 26.998 11.152 1.00 0.00 H new ATOM 0 HA ASP A 81 -3.906 27.423 8.527 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -1.570 27.671 9.463 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.435 25.924 9.511 1.00 0.00 H new